#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6j s VAL 2 N 0.00 4.23 0.02 2.62 1.01 -1.26 -4.01 120.40 123.01 3g6j s VAL 2 Ca 0.00 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.45 3g6j s VAL 2 Cb 0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3g6j s VAL 2 CO 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 175.10 174.93 3g6j s GLN 3 N 3.59 0.31 -0.06 2.72 -2.07 -1.02 -5.02 119.66 118.11 3g6j s GLN 3 Ca 0.56 -0.59 0.04 0.00 -1.82 0.00 0.00 55.36 53.55 3g6j s GLN 3 Cb -0.22 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 3g6j s GLN 3 CO 0.16 -0.05 -0.17 -0.51 -1.32 0.00 0.00 175.29 173.40 3g6j s LEU 4 N -1.43 1.88 -0.26 2.60 1.02 -1.26 -2.33 118.68 118.90 3g6j s LEU 4 Ca -0.16 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.62 3g6j s LEU 4 Cb -0.10 -1.01 0.07 0.00 0.02 0.00 0.00 46.19 45.18 3g6j s LEU 4 CO -0.01 0.13 0.01 -0.69 0.02 0.00 0.00 176.35 175.81 3g6j s VAL 5 N 0.24 1.25 0.40 -1.59 1.01 -0.97 -4.10 120.40 116.64 3g6j s VAL 5 Ca -0.09 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.47 3g6j s VAL 5 Cb -0.14 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 3g6j s VAL 5 CO 0.04 -0.32 0.85 -1.61 0.00 0.00 0.00 175.10 174.06 3g6j s GLU 6 N 1.49 4.04 0.18 2.72 8.01 -1.26 -0.88 118.70 133.00 3g6j s GLU 6 Ca 0.01 0.84 -0.15 0.00 0.01 0.00 0.00 54.97 55.68 3g6j s GLU 6 Cb -0.18 -2.30 0.02 0.00 -4.31 0.00 0.00 34.13 27.36 3g6j s GLU 6 CO -0.11 0.01 0.44 -1.54 0.01 0.00 0.00 175.26 174.06 3g6j s SER 7 N -2.47 -0.17 0.00 -0.19 1.04 0.29 -4.83 113.70 107.37 3g6j s SER 7 Ca 0.57 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3g6j s SER 7 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3g6j s SER 7 CO 0.20 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3g6j n GLY 8 N -0.29 0.82 3.67 7.32 0.00 -1.26 -1.69 105.19 113.76 3g6j n GLY 8 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3g6j n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6j s GLY 9 N -1.82 1.67 0.00 -0.02 0.00 -1.26 -4.70 107.32 101.18 3g6j s GLY 9 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3g6j s GLY 9 CO 0.00 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.59 3g6j n GLY 10 N -0.03 -0.86 3.86 0.20 0.00 -0.99 -4.96 105.19 102.41 3g6j n GLY 10 Ca 0.10 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 3g6j n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g6j s LEU 11 N 0.00 4.32 -0.11 0.99 0.20 -1.26 -1.77 118.68 121.04 3g6j s LEU 11 Ca 0.00 0.94 -0.08 0.00 0.69 0.00 0.00 54.13 55.68 3g6j s LEU 11 Cb 0.00 -3.21 0.04 0.00 -0.43 0.00 0.00 46.19 42.58 3g6j s LEU 11 CO 0.00 0.11 0.29 0.68 -0.29 0.00 0.00 176.35 177.13 3g6j s VAL 12 N -1.49 -0.01 0.45 1.68 -7.23 -0.79 -4.96 120.40 108.05 3g6j s VAL 12 Ca 0.37 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.35 3g6j s VAL 12 Cb -0.14 -0.42 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 3g6j s VAL 12 CO 0.19 0.02 1.36 -1.10 -0.31 0.00 0.00 175.10 175.26 3g6j s GLN 13 N 0.62 3.70 0.33 4.82 -1.52 -1.25 -1.05 119.66 125.32 3g6j s GLN 13 Ca -0.04 2.26 -0.28 0.00 -1.95 0.00 0.00 55.36 55.35 3g6j s GLN 13 Cb -0.05 -2.62 -0.13 0.00 -0.22 0.00 0.00 33.01 29.99 3g6j s GLN 13 CO -0.04 -0.75 1.21 -2.30 -0.25 0.00 0.00 175.29 173.16 3g6j n PRO 14 N -0.23 1.89 0.00 2.91 -0.02 -1.26 -0.81 135.00 137.48 3g6j n PRO 14 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3g6j n PRO 14 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3g6j n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6j n GLY 15 N 0.91 2.62 3.84 -1.23 0.00 0.10 -4.95 105.19 106.48 3g6j n GLY 15 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3g6j n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6j s GLY 16 N -1.81 1.69 0.24 -0.02 0.00 0.01 -3.52 107.32 103.91 3g6j s GLY 16 Ca 0.00 -0.98 0.11 0.00 0.00 0.00 0.00 44.72 43.84 3g6j s GLY 16 CO 0.00 -0.26 -0.14 -0.56 0.00 0.00 0.00 173.10 172.14 3g6j s SER 17 N -4.53 3.93 -0.28 1.64 0.01 -1.26 -1.97 113.70 111.24 3g6j s SER 17 Ca 0.70 -0.82 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 3g6j s SER 17 Cb -0.07 -0.51 0.11 0.00 0.21 0.00 0.00 66.02 65.75 3g6j s SER 17 CO 0.53 0.05 0.83 -0.22 0.41 0.00 0.00 173.24 174.85 3g6j s LEU 18 N -3.29 -0.72 -0.26 2.44 0.20 -0.70 -4.99 118.68 111.36 3g6j s LEU 18 Ca 0.28 1.19 -0.07 0.00 0.69 0.00 0.00 54.13 56.22 3g6j s LEU 18 Cb -0.07 2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 47.80 3g6j s LEU 18 CO 0.15 -0.19 0.06 -0.60 -0.29 0.00 0.00 176.35 175.48 3g6j s ARG 19 N 1.25 3.45 0.14 1.98 3.52 -1.26 -1.30 118.95 126.73 3g6j s ARG 19 Ca -0.07 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 54.87 3g6j s ARG 19 Cb -0.05 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 29.99 3g6j s ARG 19 CO -0.15 -0.27 0.38 -0.51 -0.81 0.00 0.00 175.30 173.95 3g6j s LEU 20 N 1.56 4.27 0.05 -0.88 1.43 -0.30 -4.77 118.68 120.05 3g6j s LEU 20 Ca 0.05 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 3g6j s LEU 20 Cb -0.16 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3g6j s LEU 20 CO 0.02 0.05 -0.17 -0.94 0.23 0.00 0.00 176.35 175.55 3g6j s SER 21 N -2.40 2.03 -0.23 2.29 1.04 -0.68 -0.31 113.70 115.44 3g6j s SER 21 Ca 0.41 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 3g6j s SER 21 Cb -0.12 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 65.93 3g6j s SER 21 CO 0.24 0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.53 3g6j s ALA 23 N 1.57 3.15 0.30 0.00 0.00 -0.06 -1.54 121.76 125.19 3g6j s ALA 23 Ca -0.01 -1.92 -0.27 0.00 0.00 0.00 0.00 51.96 49.76 3g6j s ALA 23 Cb -0.18 -3.84 -0.10 0.00 0.00 0.00 0.00 23.12 19.00 3g6j s ALA 23 CO -0.10 -2.75 0.94 0.00 0.00 0.00 0.00 175.76 173.85 3g6j s ALA 24 N 3.89 3.25 0.06 0.00 0.00 0.14 -2.30 121.76 126.80 3g6j s ALA 24 Ca 0.22 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 3g6j s ALA 24 Cb -0.17 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3g6j s ALA 24 CO 0.09 0.19 0.48 -1.54 0.00 0.00 0.00 175.76 174.98 3g6j s SER 25 N -1.48 -0.38 0.00 0.00 1.04 -0.98 -4.68 113.70 107.21 3g6j s SER 25 Ca 0.47 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.95 3g6j s SER 25 Cb -0.21 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3g6j s SER 25 CO 0.26 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3g6j n GLY 26 N 0.29 1.08 3.24 7.32 0.00 -1.26 -2.44 105.19 113.42 3g6j n GLY 26 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3g6j n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g6j s PHE 27 N -2.27 -0.01 -0.52 1.61 -0.71 -1.26 -4.56 117.98 110.26 3g6j s PHE 27 Ca 0.00 -0.28 -0.27 0.00 -1.04 0.00 0.00 56.93 55.34 3g6j s PHE 27 Cb 0.00 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 3g6j s PHE 27 CO 0.00 -0.54 1.70 -1.54 -1.34 0.00 0.00 175.22 173.50 3g6j s SER 28 N -2.47 5.71 0.46 1.98 1.04 -1.26 -4.85 113.70 114.31 3g6j s SER 28 Ca -0.00 0.58 0.22 0.00 0.48 0.00 0.00 55.95 57.23 3g6j s SER 28 Cb 0.02 -2.53 1.22 0.00 0.10 0.00 0.00 66.02 64.82 3g6j s SER 28 CO -0.08 -1.99 1.88 0.15 0.98 0.00 0.00 173.24 174.19 3g6j h PHE 29 N 13.18 0.34 -0.00 5.02 3.57 -1.94 -1.33 116.94 135.77 3g6j h PHE 29 Ca -0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3g6j h PHE 29 Cb 1.14 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3g6j h PHE 29 CO 1.02 0.09 -0.09 2.41 -2.23 0.00 0.00 178.31 179.50 3g6j n THR 30 N -4.43 0.00 1.01 4.41 -1.04 -1.26 -3.37 114.28 109.60 3g6j n THR 30 Ca 0.18 -0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.28 3g6j n THR 30 Cb 0.76 -0.28 0.04 0.00 -1.82 0.00 0.00 70.33 69.03 3g6j n THR 30 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3g6j n SER 31 N -1.25 2.21 -1.99 8.00 3.41 -0.50 -4.36 113.62 119.14 3g6j n SER 31 Ca 0.12 -1.60 -0.06 0.00 -0.26 0.00 0.00 58.87 57.06 3g6j n SER 31 Cb 0.29 0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 3g6j n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3g6j n SER 32 N 0.26 0.88 -4.40 4.04 3.41 -1.22 -5.08 113.62 111.51 3g6j n SER 32 Ca 0.10 -1.52 -0.20 0.00 -0.26 0.00 0.00 58.87 57.00 3g6j n SER 32 Cb 0.49 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 3g6j n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g6j s SER 33 N -1.59 2.11 -0.03 4.04 1.04 -1.26 -4.20 113.70 113.81 3g6j s SER 33 Ca 0.05 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.18 3g6j s SER 33 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3g6j s SER 33 CO 0.04 -0.59 -0.09 -0.69 0.98 0.00 0.00 173.24 172.89 3g6j s VAL 34 N -3.37 0.81 0.06 5.02 1.01 -0.92 -1.66 120.40 121.35 3g6j s VAL 34 Ca 0.35 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3g6j s VAL 34 Cb 0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3g6j s VAL 34 CO 0.14 0.26 -0.13 -0.94 0.00 0.00 0.00 175.10 174.42 3g6j s SER 35 N 0.32 4.16 -0.00 3.32 1.04 0.05 -1.50 113.70 121.10 3g6j s SER 35 Ca -0.05 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 3g6j s SER 35 Cb -0.10 -0.77 -0.06 0.00 0.10 0.00 0.00 66.02 65.19 3g6j s SER 35 CO 0.01 0.23 0.39 0.26 0.98 0.00 0.00 173.24 175.10 3g6j s TRP 36 N -1.05 3.71 -0.02 5.02 0.52 0.37 -1.50 118.94 125.98 3g6j s TRP 36 Ca 0.18 0.94 -0.02 0.00 0.02 0.00 0.00 56.10 57.22 3g6j s TRP 36 Cb -0.11 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.97 3g6j s TRP 36 CO 0.09 0.64 0.06 0.08 0.02 0.00 0.00 176.95 177.84 3g6j s VAL 37 N -1.10 0.00 0.17 4.03 1.01 0.87 -1.80 120.40 123.59 3g6j s VAL 37 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.25 3g6j s VAL 37 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3g6j s VAL 37 CO 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 175.10 175.08 3g6j s ARG 38 N -0.02 1.20 -0.19 2.72 1.70 -0.46 0.19 118.95 124.08 3g6j s ARG 38 Ca -0.01 -1.49 -0.05 0.00 -0.47 0.00 0.00 55.73 53.72 3g6j s ARG 38 Cb -0.01 -0.94 0.07 0.00 -0.57 0.00 0.00 34.95 33.51 3g6j s ARG 38 CO 0.00 0.15 0.13 -1.14 -1.08 0.00 0.00 175.30 173.36 3g6j s GLN 39 N -3.50 0.10 0.60 3.89 0.74 -0.52 -0.85 119.66 120.13 3g6j s GLN 39 Ca 0.18 -0.04 -0.17 0.00 0.05 0.00 0.00 55.36 55.38 3g6j s GLN 39 Cb -0.00 -1.62 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 3g6j s GLN 39 CO 0.04 -0.69 1.14 0.00 -0.55 0.00 0.00 175.29 175.22 3g6j s ALA 40 N 2.19 2.56 -0.18 1.58 0.00 -1.26 -1.10 121.76 125.55 3g6j s ALA 40 Ca 0.04 0.74 -0.37 0.00 0.00 0.00 0.00 51.96 52.37 3g6j s ALA 40 Cb -0.16 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3g6j s ALA 40 CO -0.12 -1.07 1.83 -2.30 0.00 0.00 0.00 175.76 174.11 3g6j n PRO 41 N -1.83 1.72 0.00 0.00 -0.02 -1.26 -1.65 135.00 131.95 3g6j n PRO 41 Ca 0.11 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3g6j n PRO 41 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3g6j n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6j n GLY 42 N 4.38 2.45 3.54 -1.23 0.00 -1.26 -4.97 105.19 108.10 3g6j n GLY 42 Ca 0.25 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3g6j n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6j n LYS 43 N 0.00 -2.86 -0.66 1.61 5.02 -0.66 -5.10 118.16 115.51 3g6j n LYS 43 Ca 0.00 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 3g6j n LYS 43 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3g6j n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g6j n GLY 44 N -4.57 2.03 3.76 0.72 0.00 -1.26 -4.59 105.19 101.28 3g6j n GLY 44 Ca 0.15 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3g6j n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6j s LEU 45 N 0.00 4.58 -0.09 0.99 1.43 -1.26 -4.15 118.68 120.18 3g6j s LEU 45 Ca 0.00 1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3g6j s LEU 45 Cb 0.00 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.81 3g6j s LEU 45 CO 0.00 0.13 -0.06 -0.70 0.23 0.00 0.00 176.35 175.95 3g6j s GLU 46 N -0.87 1.27 0.12 1.70 2.12 -0.03 -5.01 118.70 118.01 3g6j s GLU 46 Ca 0.39 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 3g6j s GLU 46 Cb -0.24 -1.38 -0.07 0.00 0.26 0.00 0.00 34.13 32.71 3g6j s GLU 46 CO 0.28 -0.24 1.14 -0.46 -0.54 0.00 0.00 175.26 175.44 3g6j s TRP 47 N 1.64 3.52 -0.14 5.30 -0.00 -1.26 -1.35 118.94 126.65 3g6j s TRP 47 Ca 0.02 1.48 -0.01 0.00 -0.00 0.00 0.00 56.10 57.60 3g6j s TRP 47 Cb -0.13 -3.33 -0.09 0.00 -0.00 0.00 0.00 33.47 29.92 3g6j s TRP 47 CO -0.06 -0.87 -0.14 0.28 -0.00 0.00 0.00 176.95 176.16 3g6j n VAL 48 N 3.07 0.82 0.00 5.86 0.31 -0.74 -4.67 118.33 122.98 3g6j n VAL 48 Ca 0.05 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3g6j n VAL 48 Cb 0.46 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 3g6j n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g6j n GLY 49 N 2.66 -0.59 3.39 2.92 0.00 -1.17 -1.38 105.19 111.01 3g6j n GLY 49 Ca -0.26 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 3g6j n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3g6j s LEU 50 N 0.00 0.87 -0.08 0.99 0.05 -0.80 -0.48 118.68 119.22 3g6j s LEU 50 Ca 0.00 -1.26 -0.08 0.00 0.05 0.00 0.00 54.13 52.84 3g6j s LEU 50 Cb 0.00 1.07 0.02 0.00 -2.05 0.00 0.00 46.19 45.23 3g6j s LEU 50 CO 0.00 -1.04 0.23 -0.51 -0.55 0.00 0.00 176.35 174.48 3g6j s ILE 51 N -3.88 0.00 -0.55 1.48 2.07 -0.56 -2.96 121.20 116.80 3g6j s ILE 51 Ca 0.32 -0.03 -0.13 0.00 -1.41 0.00 0.00 60.65 59.39 3g6j s ILE 51 Cb 0.03 -0.33 0.14 0.00 0.13 0.00 0.00 42.46 42.42 3g6j s ILE 51 CO 0.13 -0.02 0.48 -0.31 -1.91 0.00 0.00 174.94 173.32 3g6j s TYR 52 N 0.04 3.36 -0.73 3.50 1.51 -0.39 -2.16 117.35 122.48 3g6j s TYR 52 Ca -0.01 -1.57 0.11 0.00 -1.01 0.00 0.00 57.07 54.59 3g6j s TYR 52 Cb -0.02 -3.70 0.55 0.00 -0.11 0.00 0.00 41.96 38.68 3g6j s TYR 52 CO 0.00 -1.01 1.35 -2.30 -1.11 0.00 0.00 175.55 172.49 3g6j n PRO 52 N 4.97 0.06 0.24 -1.71 -0.02 -1.26 -0.81 135.00 136.47 3g6j n PRO 52 Ca -0.09 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3g6j n PRO 52 Cb 0.41 -1.67 0.59 0.00 -0.02 0.00 0.00 33.50 32.81 3g6j n PRO 52 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3g6j h TYR 53 N 0.00 0.00 0.00 6.00 3.20 -1.83 -3.39 116.97 120.96 3g6j h TYR 53 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3g6j h TYR 53 Cb 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3g6j h TYR 53 CO 0.00 0.18 -0.16 -1.71 -1.64 0.00 0.00 178.16 174.83 3g6j n ASN 54 N -3.50 0.79 0.00 -2.11 5.15 -0.19 -5.01 115.26 110.39 3g6j n ASN 54 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 3g6j n ASN 54 Cb 0.34 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 3g6j n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g6j n GLY 55 N 0.64 1.38 3.71 8.20 0.00 0.01 -4.99 105.19 114.14 3g6j n GLY 55 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g6j n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g6j s PHE 56 N -3.35 3.18 0.25 1.61 5.36 -1.20 -4.68 117.98 119.14 3g6j s PHE 56 Ca 0.00 0.86 0.10 0.00 -0.96 0.00 0.00 56.93 56.93 3g6j s PHE 56 Cb 0.00 -3.74 -0.04 0.00 -0.34 0.00 0.00 43.02 38.89 3g6j s PHE 56 CO 0.00 -2.65 -0.09 -0.80 -1.46 0.00 0.00 175.22 170.22 3g6j s ASN 57 N 1.16 4.18 -0.06 6.13 0.01 -1.26 -1.26 114.94 123.84 3g6j s ASN 57 Ca 0.66 -0.74 -0.06 0.00 -0.71 0.00 0.00 52.86 52.01 3g6j s ASN 57 Cb -0.38 -0.65 0.02 0.00 0.41 0.00 0.00 41.25 40.64 3g6j s ASN 57 CO 0.30 0.04 0.17 -0.31 -1.51 0.00 0.00 177.10 175.79 3g6j s TYR 58 N -2.19 -0.16 0.04 2.20 4.12 -1.16 -5.00 117.35 115.20 3g6j s TYR 58 Ca 0.29 0.40 0.04 0.00 0.02 0.00 0.00 57.07 57.81 3g6j s TYR 58 Cb -0.07 0.05 -0.02 0.00 -1.52 0.00 0.00 41.96 40.40 3g6j s TYR 58 CO 0.17 -0.11 -0.11 0.71 0.02 0.00 0.00 175.55 176.22 3g6j s TYR 59 N -0.08 0.99 0.13 2.71 1.51 -1.26 -1.91 117.35 119.44 3g6j s TYR 59 Ca -0.02 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 3g6j s TYR 59 Cb -0.02 -0.59 -0.07 0.00 -0.11 0.00 0.00 41.96 41.17 3g6j s TYR 59 CO 0.00 0.00 1.18 0.00 -1.11 0.00 0.00 175.55 175.63 3g6j s ALA 60 N -0.96 3.41 0.31 3.71 0.00 -0.48 -4.90 121.76 122.85 3g6j s ALA 60 Ca -0.02 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.87 3g6j s ALA 60 Cb -0.08 -3.42 0.83 0.00 0.00 0.00 0.00 23.12 20.45 3g6j s ALA 60 CO 0.01 -0.37 1.59 -0.44 0.00 0.00 0.00 175.76 176.55 3g6j h ASP 61 N 5.92 -0.26 0.00 0.00 5.19 -1.94 0.24 116.42 125.58 3g6j h ASP 61 Ca -0.43 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3g6j h ASP 61 Cb 1.21 0.41 0.00 0.00 0.18 0.00 0.00 39.33 41.13 3g6j h ASP 61 CO 0.77 -0.33 0.05 -1.54 -3.12 0.00 0.00 179.24 175.07 3g6j n SER 62 N -5.40 0.38 0.00 6.45 3.41 -1.26 -2.50 113.62 114.70 3g6j n SER 62 Ca 0.25 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3g6j n SER 62 Cb 0.82 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3g6j n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3g6j n VAL 63 N -2.02 0.07 -2.46 -3.33 3.14 0.81 -5.07 118.33 109.47 3g6j n VAL 63 Ca -0.01 -0.26 -0.41 0.00 -2.96 0.00 0.00 64.34 60.70 3g6j n VAL 63 Cb 0.07 1.43 -0.04 0.00 -1.06 0.00 0.00 33.84 34.24 3g6j n VAL 63 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3g6j s LYS 64 N -0.07 4.58 0.00 1.45 2.20 -0.90 -1.69 119.74 125.32 3g6j s LYS 64 Ca 0.00 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 3g6j s LYS 64 Cb 0.00 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3g6j s LYS 64 CO 0.00 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3g6j n GLY 65 N 1.77 0.82 0.94 5.54 0.00 -1.26 -4.82 105.19 108.19 3g6j n GLY 65 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3g6j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6j n ARG 66 N -2.00 0.00 -3.97 1.61 1.74 -1.03 -5.03 116.66 107.98 3g6j n ARG 66 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3g6j n ARG 66 Cb 0.00 -0.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.86 3g6j n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3g6j s PHE 67 N -1.96 3.45 0.10 -1.55 0.40 -0.68 -2.17 117.98 115.56 3g6j s PHE 67 Ca 0.00 0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 3g6j s PHE 67 Cb 0.00 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 3g6j s PHE 67 CO 0.00 0.56 -0.11 0.95 0.70 0.00 0.00 175.22 177.32 3g6j s THR 68 N -0.65 1.01 -0.09 0.64 -4.23 -0.38 -4.81 115.64 107.12 3g6j s THR 68 Ca 0.12 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3g6j s THR 68 Cb -0.12 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 3g6j s THR 68 CO 0.02 -0.49 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.76 3g6j s ILE 69 N -2.21 2.20 0.40 2.99 1.01 -1.26 -0.61 121.20 123.72 3g6j s ILE 69 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3g6j s ILE 69 Cb -0.04 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3g6j s ILE 69 CO 0.01 0.56 0.08 -0.94 0.00 0.00 0.00 174.94 174.65 3g6j s SER 70 N 0.22 2.90 -0.13 3.58 1.04 -0.47 -4.97 113.70 115.87 3g6j s SER 70 Ca -0.14 -1.57 -0.17 0.00 0.48 0.00 0.00 55.95 54.55 3g6j s SER 70 Cb -0.17 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.29 3g6j s SER 70 CO 0.07 -0.80 0.45 0.00 0.98 0.00 0.00 173.24 173.94 3g6j s ALA 71 N -3.17 -1.12 -0.44 5.32 0.00 -1.26 -0.47 121.76 120.63 3g6j s ALA 71 Ca 0.25 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 3g6j s ALA 71 Cb 0.05 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.71 3g6j s ALA 71 CO 0.13 -0.24 0.38 1.21 0.00 0.00 0.00 175.76 177.24 3g6j s ASN 72 N -0.24 6.14 0.31 0.00 3.04 -0.58 -4.97 114.94 118.64 3g6j s ASN 72 Ca -0.04 -0.99 0.15 0.00 0.04 0.00 0.00 52.86 52.02 3g6j s ASN 72 Cb -0.03 -2.19 0.40 0.00 -1.54 0.00 0.00 41.25 37.89 3g6j s ASN 72 CO 0.02 -0.56 1.60 0.71 -3.04 0.00 0.00 177.10 175.83 3g6j h THR 73 N 5.70 1.06 0.00 -5.21 1.35 -1.89 -2.08 112.91 111.85 3g6j h THR 73 Ca -0.27 -1.98 -0.03 0.00 -0.55 0.00 0.00 66.41 63.57 3g6j h THR 73 Cb 1.11 2.17 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3g6j h THR 73 CO 0.80 0.50 -0.14 0.77 -0.25 0.00 0.00 175.52 177.21 3g6j h SER 74 N 0.00 0.00 -0.29 5.36 4.64 -1.96 -3.20 113.55 118.10 3g6j h SER 74 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3g6j h SER 74 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3g6j h SER 74 CO 0.07 0.14 0.00 1.17 -0.87 0.00 0.00 176.83 177.34 3g6j n LYS 75 N -3.24 2.26 -4.29 4.77 3.00 -0.85 -4.98 118.16 114.83 3g6j n LYS 75 Ca 0.01 -2.08 -0.31 0.00 -0.00 0.00 0.00 58.31 55.93 3g6j n LYS 75 Cb 0.43 -1.44 -0.10 0.00 0.00 0.00 0.00 35.03 33.92 3g6j n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3g6j n ASN 76 N 1.27 0.67 -4.02 3.14 3.02 -0.84 -4.74 115.26 113.76 3g6j n ASN 76 Ca 0.16 -1.24 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 3g6j n ASN 76 Cb 0.55 -1.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.01 3g6j n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g6j s THR 77 N -4.24 0.81 0.01 3.41 2.01 -1.05 0.25 115.64 116.83 3g6j s THR 77 Ca 0.08 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.71 3g6j s THR 77 Cb -0.05 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3g6j s THR 77 CO 0.98 0.25 -0.03 0.00 -0.69 0.00 0.00 174.62 175.13 3g6j s ALA 78 N 0.09 3.17 0.01 7.40 0.00 -0.59 -1.53 121.76 130.31 3g6j s ALA 78 Ca -0.01 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3g6j s ALA 78 Cb -0.08 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3g6j s ALA 78 CO 0.00 0.64 -0.26 0.71 0.00 0.00 0.00 175.76 176.85 3g6j s TYR 79 N -1.06 2.34 -0.36 0.00 2.02 0.39 0.64 117.35 121.31 3g6j s TYR 79 Ca 0.19 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 3g6j s TYR 79 Cb -0.11 -1.45 0.06 0.00 -0.40 0.00 0.00 41.96 40.06 3g6j s TYR 79 CO 0.09 0.05 0.13 -1.17 -1.57 0.00 0.00 175.55 173.08 3g6j s LEU 80 N -0.92 4.57 -0.16 -1.29 2.96 0.58 -1.37 118.68 123.04 3g6j s LEU 80 Ca 0.11 -1.43 -0.24 0.00 -0.22 0.00 0.00 54.13 52.35 3g6j s LEU 80 Cb -0.10 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3g6j s LEU 80 CO 0.01 -0.40 0.76 -1.58 -1.32 0.00 0.00 176.35 173.82 3g6j s GLN 81 N 1.32 4.30 -0.11 1.98 2.00 0.22 -1.14 119.66 128.22 3g6j s GLN 81 Ca 0.00 0.89 -0.00 0.00 -2.00 0.00 0.00 55.36 54.25 3g6j s GLN 81 Cb -0.21 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 30.02 3g6j s GLN 81 CO 0.00 -0.24 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.83 3g6j s MET 82 N 1.87 3.18 0.11 1.67 -1.94 -0.42 -1.25 119.30 122.52 3g6j s MET 82 Ca 0.36 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.80 3g6j s MET 82 Cb -0.17 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 3g6j s MET 82 CO 0.13 0.40 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.61 3g6j s ASN 82 N -0.12 1.85 -1.19 3.03 0.01 -0.92 -1.72 114.94 115.88 3g6j s ASN 82 Ca 0.01 -0.76 -0.01 0.00 -0.71 0.00 0.00 52.86 51.39 3g6j s ASN 82 Cb -0.13 -0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.47 3g6j s ASN 82 CO 0.03 -0.14 0.96 -0.24 -1.51 0.00 0.00 177.10 176.20 3g6j n SER 82 N 0.73 -2.44 -4.77 -1.22 2.88 -1.12 -4.67 113.62 103.01 3g6j n SER 82 Ca -0.17 -0.65 -0.38 0.00 -1.33 0.00 0.00 58.87 56.34 3g6j n SER 82 Cb 0.56 -5.03 -0.03 0.00 -0.75 0.00 0.00 64.21 58.97 3g6j n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3g6j s LEU 82 N -6.29 4.21 0.45 2.46 1.43 -0.83 -4.74 118.68 115.37 3g6j s LEU 82 Ca 0.05 2.29 0.05 0.00 -1.03 0.00 0.00 54.13 55.48 3g6j s LEU 82 Cb -0.01 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3g6j s LEU 82 CO 0.74 -0.61 0.01 -0.13 0.23 0.00 0.00 176.35 176.59 3g6j s ARG 83 N -2.28 2.05 0.39 1.70 0.52 -1.26 0.01 118.95 120.09 3g6j s ARG 83 Ca 0.56 -2.22 0.10 0.00 -0.52 0.00 0.00 55.73 53.66 3g6j s ARG 83 Cb -0.29 -1.60 0.79 0.00 0.52 0.00 0.00 34.95 34.37 3g6j s ARG 83 CO 0.37 -0.17 1.91 0.00 0.02 0.00 0.00 175.30 177.43 3g6j h ALA 84 N 1.60 1.51 0.00 2.13 0.00 -1.98 -2.34 119.26 120.19 3g6j h ALA 84 Ca -0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3g6j h ALA 84 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g6j h ALA 84 CO 0.78 0.35 0.00 -0.85 0.00 0.00 0.00 179.25 179.53 3g6j n GLU 85 N -4.27 0.60 0.00 0.00 0.00 -1.26 -2.18 120.64 113.54 3g6j n GLU 85 Ca -0.01 0.02 0.13 0.00 0.00 0.00 0.00 57.16 57.31 3g6j n GLU 85 Cb 0.28 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.59 3g6j n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g6j n ASP 86 N -1.14 1.95 -4.69 -1.84 8.00 -0.88 -4.90 116.55 113.05 3g6j n ASP 86 Ca 0.16 -1.62 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 3g6j n ASP 86 Cb 0.14 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3g6j n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g6j s THR 87 N -2.04 3.37 -0.11 -3.53 2.01 -0.92 -4.90 115.64 109.52 3g6j s THR 87 Ca 0.34 0.78 -0.33 0.00 0.31 0.00 0.00 61.69 62.78 3g6j s THR 87 Cb 0.21 -3.50 0.14 0.00 0.01 0.00 0.00 72.50 69.35 3g6j s THR 87 CO 0.34 -0.01 1.34 0.00 -0.69 0.00 0.00 174.62 175.60 3g6j s ALA 88 N 2.59 -2.29 -0.15 7.40 0.00 -0.79 -4.33 121.76 124.19 3g6j s ALA 88 Ca 0.69 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 53.49 3g6j s ALA 88 Cb -0.36 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3g6j s ALA 88 CO 0.29 -0.91 0.82 0.08 0.00 0.00 0.00 175.76 176.04 3g6j s VAL 89 N -2.25 4.90 -0.34 0.00 1.01 -0.26 -1.69 120.40 121.78 3g6j s VAL 89 Ca 0.13 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 3g6j s VAL 89 Cb 0.04 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3g6j s VAL 89 CO -0.05 0.06 0.22 -0.31 0.00 0.00 0.00 175.10 175.03 3g6j s TYR 90 N 1.91 3.22 0.07 5.22 1.51 0.97 -1.43 117.35 128.81 3g6j s TYR 90 Ca 0.39 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 3g6j s TYR 90 Cb -0.17 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3g6j s TYR 90 CO 0.14 -0.40 0.21 0.71 -1.11 0.00 0.00 175.55 175.11 3g6j s TYR 91 N 1.69 3.51 -0.02 2.71 1.51 0.49 -2.51 117.35 124.73 3g6j s TYR 91 Ca 0.06 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.42 3g6j s TYR 91 Cb -0.17 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3g6j s TYR 91 CO 0.09 0.58 -0.25 0.00 -1.11 0.00 0.00 175.55 174.87 3g6j s ALA 93 N -0.58 -0.12 -0.16 0.00 0.00 -0.56 -0.96 121.76 119.38 3g6j s ALA 93 Ca 0.09 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3g6j s ALA 93 Cb -0.10 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3g6j s ALA 93 CO -0.01 -0.37 0.22 -0.98 0.00 0.00 0.00 175.76 174.62 3g6j s ARG 94 N -2.96 4.11 -0.05 0.00 1.70 -0.60 -0.77 118.95 120.37 3g6j s ARG 94 Ca -0.02 -0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 3g6j s ARG 94 Cb 0.01 -3.38 -0.03 0.00 -0.57 0.00 0.00 34.95 30.98 3g6j s ARG 94 CO -0.06 0.35 1.10 -0.80 -1.08 0.00 0.00 175.30 174.81 3g6j s ASN 95 N 0.16 7.17 -0.25 -2.89 0.01 -0.67 -2.91 114.94 115.55 3g6j s ASN 95 Ca 0.14 1.72 0.02 0.00 -0.71 0.00 0.00 52.86 54.02 3g6j s ASN 95 Cb -0.12 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.04 3g6j s ASN 95 CO 0.02 -0.48 -0.09 0.00 -1.51 0.00 0.00 177.10 175.05 3g6j s ALA 96 N 1.85 2.34 0.56 0.60 0.00 0.49 -4.13 121.76 123.47 3g6j s ALA 96 Ca 0.53 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3g6j s ALA 96 Cb -0.22 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 3g6j s ALA 96 CO 0.22 -1.20 1.10 1.28 0.00 0.00 0.00 175.76 177.16 3g6j n LEU 97 N 4.52 4.12 0.00 0.00 4.77 -1.26 -1.29 117.00 127.86 3g6j n LEU 97 Ca -0.13 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 3g6j n LEU 97 Cb 0.43 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3g6j n LEU 97 CO 0.20 -1.40 -0.10 0.00 -1.33 0.00 0.00 177.39 174.75 3g6j n TYR 98 N -1.34 0.00 0.00 -1.77 0.18 -1.26 -4.85 117.16 108.12 3g6j n TYR 98 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 3g6j n TYR 98 Cb 0.45 0.14 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 3g6j n TYR 98 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3g6j n GLY 99 N 1.88 0.65 2.64 -7.48 0.00 -1.26 -5.10 105.19 96.53 3g6j n GLY 99 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3g6j n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g6j s SER 100 N -1.00 2.64 -0.48 1.61 0.15 -1.26 -5.15 113.70 110.20 3g6j s SER 100 Ca 0.00 -0.75 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 3g6j s SER 100 Cb 0.00 -0.37 -0.20 0.00 -1.71 0.00 0.00 66.02 63.74 3g6j s SER 100 CO 0.00 -0.35 1.59 0.61 1.20 0.00 0.00 173.24 176.30 3g6j n GLY 100 N 5.20 -0.08 0.00 9.45 0.00 -1.26 -5.28 105.19 113.22 3g6j n GLY 100 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3g6j n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g6j n TYR 100 N 12.49 0.00 -4.39 1.61 0.18 -1.26 -5.01 117.16 120.78 3g6j n TYR 100 Ca 0.30 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.88 3g6j n TYR 100 Cb 0.44 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.30 3g6j n TYR 100 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3g6j s ALA 100 N -2.00 2.28 -0.45 -3.48 0.00 -0.41 -4.89 121.76 112.81 3g6j s ALA 100 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.07 3g6j s ALA 100 Cb 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.05 3g6j s ALA 100 CO 0.00 0.13 0.35 -1.64 0.00 0.00 0.00 175.76 174.60 3g6j s MET 100 N -3.60 2.92 -0.18 0.00 1.00 -1.26 -0.38 119.30 117.79 3g6j s MET 100 Ca 0.25 -1.29 -0.05 0.00 0.00 0.00 0.00 55.69 54.60 3g6j s MET 100 Cb -0.02 -4.04 -0.22 0.00 0.00 0.00 0.00 34.83 30.55 3g6j s MET 100 CO 0.10 -0.95 0.11 -0.40 0.00 0.00 0.00 175.02 173.88 3g6j n ASP 101 N 5.15 2.05 -4.45 3.03 5.75 -1.15 -4.88 116.55 122.06 3g6j n ASP 101 Ca -0.12 0.10 -0.33 0.00 -0.01 0.00 0.00 54.79 54.43 3g6j n ASP 101 Cb 0.44 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 3g6j n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3g6j s TYR 102 N -2.53 2.84 0.18 2.11 1.51 -1.26 -5.01 117.35 115.19 3g6j s TYR 102 Ca -0.28 -0.38 0.10 0.00 -1.01 0.00 0.00 57.07 55.50 3g6j s TYR 102 Cb 0.08 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 3g6j s TYR 102 CO 0.69 -0.02 -0.21 -1.58 -1.11 0.00 0.00 175.55 173.32 3g6j s TRP 103 N -0.04 2.07 0.47 2.71 0.52 -1.26 -1.56 118.94 121.85 3g6j s TRP 103 Ca -0.02 -0.41 -0.06 0.00 0.02 0.00 0.00 56.10 55.63 3g6j s TRP 103 Cb -0.14 -1.03 0.11 0.00 -1.15 0.00 0.00 33.47 31.26 3g6j s TRP 103 CO 0.04 0.43 0.65 0.41 0.02 0.00 0.00 176.95 178.49 3g6j n GLY 104 N 0.25 -0.70 0.09 0.98 0.00 -0.13 -4.59 105.19 101.09 3g6j n GLY 104 Ca -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 3g6j n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3g6j h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -3.46 115.11 111.37 3g6j h GLN 105 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 3g6j h GLN 105 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.11 3g6j h GLN 105 CO 0.17 0.73 0.00 0.41 -0.00 0.00 0.00 178.83 180.13 3g6j n GLY 106 N 1.36 2.30 3.23 0.06 0.00 -1.26 -5.00 105.19 105.88 3g6j n GLY 106 Ca -0.03 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 3g6j n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6j s THR 107 N -1.93 1.55 -0.31 2.61 -4.23 -1.04 -4.91 115.64 107.38 3g6j s THR 107 Ca 0.00 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 59.05 3g6j s THR 107 Cb 0.00 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.47 3g6j s THR 107 CO 0.00 0.12 0.88 -0.22 -0.54 0.00 0.00 174.62 174.86 3g6j s LEU 108 N -1.29 4.05 -0.19 4.79 0.20 -1.26 -0.02 118.68 124.96 3g6j s LEU 108 Ca 0.06 0.81 -0.09 0.00 0.69 0.00 0.00 54.13 55.59 3g6j s LEU 108 Cb -0.09 -3.23 -0.05 0.00 -0.43 0.00 0.00 46.19 42.40 3g6j s LEU 108 CO 0.02 -0.69 0.13 -0.69 -0.29 0.00 0.00 176.35 174.83 3g6j s VAL 109 N 3.15 5.38 -0.07 1.68 1.01 -0.68 -2.34 120.40 128.53 3g6j s VAL 109 Ca 0.36 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 3g6j s VAL 109 Cb -0.14 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3g6j s VAL 109 CO 0.13 0.47 -0.03 0.28 0.00 0.00 0.00 175.10 175.95 3g6j s THR 110 N 0.13 0.58 -0.39 3.92 -1.32 -0.73 -1.89 115.64 115.94 3g6j s THR 110 Ca 0.09 -0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.41 3g6j s THR 110 Cb -0.11 -0.65 0.05 0.00 -1.51 0.00 0.00 72.50 70.28 3g6j s THR 110 CO -0.01 0.27 0.22 -0.69 -2.21 0.00 0.00 174.62 172.20 3g6j s VAL 111 N 1.50 4.33 -0.00 5.08 1.01 -1.26 -1.89 120.40 129.16 3g6j s VAL 111 Ca -0.01 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.56 3g6j s VAL 111 Cb -0.13 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.77 3g6j s VAL 111 CO -0.04 -0.36 0.56 -0.55 0.00 0.00 0.00 175.10 174.71 3g6j s SER 112 N 1.82 -0.51 0.32 3.32 0.15 -0.21 -4.59 113.70 114.00 3g6j s SER 112 Ca 0.02 0.40 0.16 0.00 0.70 0.00 0.00 55.95 57.23 3g6j s SER 112 Cb -0.21 0.49 0.42 0.00 -1.71 0.00 0.00 66.02 65.01 3g6j s SER 112 CO 0.04 -0.64 1.61 0.28 1.20 0.00 0.00 173.24 175.73 3g6j h SER 113 N 3.01 0.00 -3.77 5.45 0.02 -1.95 -3.32 113.55 113.00 3g6j h SER 113 Ca -0.29 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.15 3g6j h SER 113 Cb 1.18 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.93 3g6j h SER 113 CO 0.40 0.49 -0.10 0.00 -1.14 0.00 0.00 176.83 176.48 3g6j n ALA 114 N -2.30 -1.81 -2.85 3.77 0.00 -1.26 -4.99 120.51 111.07 3g6j n ALA 114 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 53.44 52.48 3g6j n ALA 114 Cb 0.61 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 3g6j n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3g6j s SER 115 N -2.40 5.75 0.41 0.00 0.01 -1.26 -5.02 113.70 111.19 3g6j s SER 115 Ca 0.64 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 3g6j s SER 115 Cb -0.22 -1.56 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 3g6j s SER 115 CO 0.62 0.03 1.15 -0.89 0.41 0.00 0.00 173.24 174.56 3g6j s THR 116 N -1.86 3.21 -0.09 1.44 2.01 -1.26 -4.74 115.64 114.34 3g6j s THR 116 Ca 0.32 0.97 -0.06 0.00 0.31 0.00 0.00 61.69 63.24 3g6j s THR 116 Cb -0.10 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3g6j s THR 116 CO 0.25 0.05 0.22 -0.54 -0.69 0.00 0.00 174.62 173.91 3g6j s LYS 117 N -2.42 0.21 0.50 4.92 -0.14 -0.62 -4.91 119.74 117.28 3g6j s LYS 117 Ca 0.59 0.40 -0.19 0.00 -1.36 0.00 0.00 55.97 55.41 3g6j s LYS 117 Cb -0.29 -0.02 -0.08 0.00 -1.68 0.00 0.00 37.83 35.76 3g6j s LYS 117 CO 0.36 -0.10 1.00 0.20 -0.76 0.00 0.00 175.35 176.06 3g6j s GLY 118 N 0.72 2.28 0.42 -3.33 0.00 -1.26 -1.77 107.32 104.37 3g6j s GLY 118 Ca -0.05 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 3g6j s GLY 118 CO -0.04 0.69 0.82 2.56 0.00 0.00 0.00 173.10 177.13 3g6j s PRO 119 N -3.62 3.86 0.07 2.90 0.04 -1.25 -4.45 135.00 132.55 3g6j s PRO 119 Ca 0.63 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 3g6j s PRO 119 Cb -0.13 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3g6j s PRO 119 CO 0.25 -0.07 0.45 -1.12 0.04 0.00 0.00 177.00 176.55 3g6j s SER 120 N -2.99 6.76 -0.20 6.66 0.01 0.08 -4.89 113.70 119.12 3g6j s SER 120 Ca 0.54 0.93 -0.01 0.00 1.31 0.00 0.00 55.95 58.72 3g6j s SER 120 Cb -0.10 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.91 3g6j s SER 120 CO 0.29 0.21 -0.13 -0.69 0.41 0.00 0.00 173.24 173.33 3g6j s VAL 121 N -1.30 2.56 0.09 3.43 1.01 -1.26 0.11 120.40 125.04 3g6j s VAL 121 Ca 0.31 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.54 3g6j s VAL 121 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3g6j s VAL 121 CO 0.17 0.43 -0.26 -0.36 0.00 0.00 0.00 175.10 175.09 3g6j s PHE 122 N 1.34 2.35 0.58 5.22 0.08 -1.08 -4.95 117.98 121.53 3g6j s PHE 122 Ca 0.04 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 3g6j s PHE 122 Cb -0.14 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 40.94 3g6j s PHE 122 CO -0.09 0.26 1.03 -1.25 -0.10 0.00 0.00 175.22 175.07 3g6j s PRO 123 N -1.74 3.53 -0.46 0.24 0.04 -1.26 -0.13 135.00 135.23 3g6j s PRO 123 Ca 0.14 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.20 3g6j s PRO 123 Cb -0.10 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.49 3g6j s PRO 123 CO 0.05 -0.62 0.21 -0.51 0.04 0.00 0.00 177.00 176.17 3g6j s LEU 124 N -4.59 4.85 0.21 -3.56 1.43 0.61 -4.75 118.68 112.87 3g6j s LEU 124 Ca 0.60 -2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 50.91 3g6j s LEU 124 Cb -0.13 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3g6j s LEU 124 CO 0.40 -0.38 1.25 0.00 0.23 0.00 0.00 176.35 177.85 3g6j s ALA 125 N 0.46 3.48 -0.00 4.21 0.00 -1.26 -2.18 121.76 126.46 3g6j s ALA 125 Ca 0.13 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3g6j s ALA 125 Cb -0.22 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 3g6j s ALA 125 CO -0.04 -0.45 1.96 -2.30 0.00 0.00 0.00 175.76 174.92 3g6j n PRO 126 N 2.38 2.66 -2.35 0.00 -0.02 -1.26 -4.89 135.00 131.52 3g6j n PRO 126 Ca 0.05 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 62.08 3g6j n PRO 126 Cb 0.44 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 30.98 3g6j n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3g6j s SER 127 N 4.43 7.01 -0.30 2.55 0.15 -1.26 -3.96 113.70 122.32 3g6j s SER 127 Ca 0.90 2.11 -0.29 0.00 0.70 0.00 0.00 55.95 59.37 3g6j s SER 127 Cb -0.51 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.21 3g6j s SER 127 CO 0.45 -0.52 1.43 -0.94 1.20 0.00 0.00 173.24 174.86 3g6j s SER 128 N 1.06 6.50 0.00 5.45 1.04 -1.26 -4.91 113.70 121.58 3g6j s SER 128 Ca 0.60 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3g6j s SER 128 Cb -0.32 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.27 3g6j s SER 128 CO 0.30 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.91 3g6j n GLY 134 N 4.59 0.24 3.18 7.32 0.00 -1.26 -5.23 105.19 114.04 3g6j n GLY 134 Ca 0.17 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 3g6j n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6j s THR 135 N 0.00 1.19 -0.03 2.61 2.01 -1.26 -3.58 115.64 116.59 3g6j s THR 135 Ca 0.00 -1.33 0.07 0.00 0.31 0.00 0.00 61.69 60.75 3g6j s THR 135 Cb 0.00 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 3g6j s THR 135 CO 0.00 -0.20 -0.24 0.00 -0.69 0.00 0.00 174.62 173.49 3g6j s ALA 136 N -1.25 2.23 -0.15 7.40 0.00 0.57 -4.80 121.76 125.76 3g6j s ALA 136 Ca -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 3g6j s ALA 136 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 3g6j s ALA 136 CO 0.02 0.53 0.02 0.00 0.00 0.00 0.00 175.76 176.34 3g6j s ALA 137 N -0.61 3.28 0.18 0.00 0.00 -1.26 -0.74 121.76 122.62 3g6j s ALA 137 Ca 0.10 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3g6j s ALA 137 Cb -0.10 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3g6j s ALA 137 CO -0.01 0.32 0.01 -0.48 0.00 0.00 0.00 175.76 175.60 3g6j s LEU 138 N -0.03 2.08 0.00 0.00 0.05 -0.81 -4.13 118.68 115.84 3g6j s LEU 138 Ca 0.04 -1.19 0.00 0.00 0.05 0.00 0.00 54.13 53.03 3g6j s LEU 138 Cb -0.13 -0.06 0.00 0.00 -2.05 0.00 0.00 46.19 43.96 3g6j s LEU 138 CO 0.02 -0.58 0.00 0.61 -0.55 0.00 0.00 176.35 175.85 3g6j n GLY 139 N -0.27 1.26 2.96 -3.48 0.00 -0.93 -0.78 105.19 103.95 3g6j n GLY 139 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 3g6j n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6j s LEU 141 N -1.03 4.28 -0.26 0.00 2.96 0.81 -1.30 118.68 124.15 3g6j s LEU 141 Ca -0.11 -3.11 -0.29 0.00 -0.22 0.00 0.00 54.13 50.41 3g6j s LEU 141 Cb -0.07 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3g6j s LEU 141 CO -0.01 -0.21 1.35 -0.69 -1.32 0.00 0.00 176.35 175.47 3g6j s VAL 142 N -0.41 4.08 0.09 1.68 1.01 -0.25 -2.64 120.40 123.96 3g6j s VAL 142 Ca 0.18 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.50 3g6j s VAL 142 Cb -0.23 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3g6j s VAL 142 CO -0.02 -0.37 -0.25 -0.75 0.00 0.00 0.00 175.10 173.70 3g6j s LYS 143 N 4.12 1.46 -0.37 2.72 2.20 0.12 -0.61 119.74 129.37 3g6j s LYS 143 Ca 0.59 -1.21 -0.21 0.00 -0.36 0.00 0.00 55.97 54.77 3g6j s LYS 143 Cb -0.19 -1.79 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 3g6j s LYS 143 CO 0.23 0.44 0.49 -0.25 -0.36 0.00 0.00 175.35 175.89 3g6j n ASP 144 N 1.26 -6.84 -3.95 1.43 8.00 -0.84 -0.74 116.55 114.88 3g6j n ASP 144 Ca -0.18 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.59 3g6j n ASP 144 Cb 0.53 -3.47 -0.08 0.00 -0.02 0.00 0.00 41.12 38.08 3g6j n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3g6j s TYR 145 N -1.86 0.32 -0.21 1.24 1.13 -0.59 -3.82 117.35 113.56 3g6j s TYR 145 Ca 0.24 -0.78 -0.27 0.00 -1.41 0.00 0.00 57.07 54.86 3g6j s TYR 145 Cb -0.04 -0.18 0.07 0.00 -1.10 0.00 0.00 41.96 40.71 3g6j s TYR 145 CO 0.72 -0.50 0.72 0.12 -2.51 0.00 0.00 175.55 174.10 3g6j s PHE 146 N -3.90 -0.74 0.43 -3.49 2.19 -0.73 -0.34 117.98 111.40 3g6j s PHE 146 Ca 0.07 1.67 0.01 0.00 0.33 0.00 0.00 56.93 59.01 3g6j s PHE 146 Cb 0.06 0.31 0.08 0.00 -1.31 0.00 0.00 43.02 42.16 3g6j s PHE 146 CO -0.09 -0.44 0.59 -0.35 1.83 0.00 0.00 175.22 176.76 3g6j n PRO 147 N 2.16 0.32 -0.64 10.12 -0.04 -1.26 -1.59 135.00 144.07 3g6j n PRO 147 Ca -0.15 -1.75 -0.31 0.00 -0.04 0.00 0.00 63.50 61.25 3g6j n PRO 147 Cb 0.56 -0.34 0.19 0.00 -0.04 0.00 0.00 33.50 33.86 3g6j n PRO 147 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3g6j n GLU 148 N -2.05 -1.08 -3.58 0.54 -0.58 -1.26 -4.81 120.64 107.82 3g6j n GLU 148 Ca 0.10 -0.26 -0.21 0.00 -0.42 0.00 0.00 57.16 56.36 3g6j n GLU 148 Cb 0.37 -2.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 3g6j n GLU 148 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3g6j s PRO 149 N -4.31 2.49 -0.11 3.49 0.04 -1.26 -4.96 135.00 130.38 3g6j s PRO 149 Ca 0.65 -1.59 -0.01 0.00 0.04 0.00 0.00 61.00 60.09 3g6j s PRO 149 Cb -0.23 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 31.99 3g6j s PRO 149 CO 0.62 -0.26 -0.05 0.08 0.04 0.00 0.00 177.00 177.43 3g6j s VAL 150 N -2.51 0.88 0.08 -0.36 1.01 -1.26 -4.55 120.40 113.69 3g6j s VAL 150 Ca 0.47 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3g6j s VAL 150 Cb -0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3g6j s VAL 150 CO 0.28 0.30 0.52 0.42 0.00 0.00 0.00 175.10 176.61 3g6j s THR 151 N 1.76 4.86 -0.01 3.92 -4.23 -0.82 -4.93 115.64 116.20 3g6j s THR 151 Ca 0.04 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 3g6j s THR 151 Cb -0.13 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 3g6j s THR 151 CO -0.08 0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.66 3g6j s VAL 152 N -1.24 0.72 0.26 2.29 1.01 -1.26 -1.07 120.40 121.11 3g6j s VAL 152 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3g6j s VAL 152 Cb -0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3g6j s VAL 152 CO 0.18 0.21 0.24 -0.94 0.00 0.00 0.00 175.10 174.79 3g6j s SER 153 N -0.13 0.64 -0.04 3.32 1.04 -0.67 -4.95 113.70 112.90 3g6j s SER 153 Ca 0.02 -1.46 0.04 0.00 0.48 0.00 0.00 55.95 55.03 3g6j s SER 153 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3g6j s SER 153 CO -0.00 -0.98 -0.15 0.26 0.98 0.00 0.00 173.24 173.35 3g6j s TRP 154 N -3.83 1.50 -1.54 5.02 0.52 -1.26 0.63 118.94 119.98 3g6j s TRP 154 Ca 0.37 -0.45 -0.15 0.00 0.02 0.00 0.00 56.10 55.90 3g6j s TRP 154 Cb 0.04 -1.04 0.11 0.00 -1.15 0.00 0.00 33.47 31.44 3g6j s TRP 154 CO 0.17 -0.17 0.77 0.09 0.02 0.00 0.00 176.95 177.83 3g6j n ASN 155 N 3.29 -3.93 -2.63 2.95 3.02 -0.70 -1.62 115.26 115.65 3g6j n ASN 155 Ca -0.19 -0.77 -0.20 0.00 -0.03 0.00 0.00 54.58 53.40 3g6j n ASN 155 Cb 0.53 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 3g6j n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g6j n SER 156 N -2.61 -5.43 0.00 6.41 7.64 -1.26 -2.17 113.62 116.20 3g6j n SER 156 Ca 0.04 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3g6j n SER 156 Cb 0.51 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 3g6j n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6j n GLY 157 N -1.11 2.39 0.41 0.23 0.00 -0.64 -5.00 105.19 101.47 3g6j n GLY 157 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 3g6j n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6j h ALA 158 N 0.00 -1.06 -1.65 4.61 0.00 -1.31 -3.40 119.26 116.45 3g6j h ALA 158 Ca 0.00 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.13 3g6j h ALA 158 Cb 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3g6j h ALA 158 CO 0.00 -0.99 0.96 -1.17 0.00 0.00 0.00 179.25 178.05 3g6j s LEU 159 N -9.32 3.54 0.00 0.00 2.96 -1.14 -4.79 118.68 109.93 3g6j s LEU 159 Ca -0.15 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 3g6j s LEU 159 Cb 0.01 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.35 3g6j s LEU 159 CO 0.44 -1.37 0.00 0.35 -1.32 0.00 0.00 176.35 174.45 3g6j n THR 160 N 6.77 0.00 -2.24 3.68 -2.24 -1.26 -4.19 114.28 114.80 3g6j n THR 160 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 3g6j n THR 160 Cb 0.49 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3g6j n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6j s SER 161 N -2.91 6.94 0.00 3.42 0.15 -1.26 -3.23 113.70 116.80 3g6j s SER 161 Ca 0.00 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.17 3g6j s SER 161 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3g6j s SER 161 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 3g6j n GLY 162 N 1.16 0.76 3.68 9.45 0.00 -1.26 -4.81 105.19 114.16 3g6j n GLY 162 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3g6j n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6j s VAL 163 N -3.13 4.98 -0.28 1.61 1.01 -1.20 -3.11 120.40 120.28 3g6j s VAL 163 Ca 0.00 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.42 3g6j s VAL 163 Cb 0.00 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.39 3g6j s VAL 163 CO 0.00 0.13 -0.07 -1.00 0.00 0.00 0.00 175.10 174.17 3g6j s HIS 164 N 1.59 3.26 -0.38 5.22 3.76 0.18 -5.00 115.29 123.92 3g6j s HIS 164 Ca 0.35 -2.13 -0.17 0.00 -0.15 0.00 0.00 55.06 52.96 3g6j s HIS 164 Cb -0.17 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3g6j s HIS 164 CO 0.14 -0.85 0.45 0.99 -0.85 0.00 0.00 174.74 174.62 3g6j s THR 165 N 1.17 5.07 0.40 1.30 2.01 -1.26 -1.54 115.64 122.79 3g6j s THR 165 Ca -0.07 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 3g6j s THR 165 Cb -0.20 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 3g6j s THR 165 CO -0.03 -0.28 1.05 -0.36 -0.69 0.00 0.00 174.62 174.31 3g6j s PHE 166 N 2.23 3.25 0.37 4.92 0.40 -0.12 -5.00 117.98 124.03 3g6j s PHE 166 Ca 0.15 1.64 -0.26 0.00 -0.60 0.00 0.00 56.93 57.85 3g6j s PHE 166 Cb -0.16 -3.14 -0.12 0.00 0.51 0.00 0.00 43.02 40.11 3g6j s PHE 166 CO 0.13 -0.66 1.09 -2.30 0.70 0.00 0.00 175.22 174.19 3g6j n PRO 167 N -0.08 1.56 -2.16 0.24 -0.02 -1.26 -4.50 135.00 128.78 3g6j n PRO 167 Ca 0.05 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 3g6j n PRO 167 Cb 0.50 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3g6j n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6j s ALA 168 N -1.18 2.64 0.06 3.55 0.00 -1.26 -4.81 121.76 120.75 3g6j s ALA 168 Ca 0.60 0.85 0.08 0.00 0.00 0.00 0.00 51.96 53.50 3g6j s ALA 168 Cb -0.59 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 3g6j s ALA 168 CO 0.59 -0.91 -0.21 0.14 0.00 0.00 0.00 175.76 175.37 3g6j s VAL 169 N -1.77 2.61 -0.27 0.00 -7.23 -0.98 -4.98 120.40 107.78 3g6j s VAL 169 Ca 0.74 -1.32 -0.22 0.00 -1.81 0.00 0.00 61.98 59.36 3g6j s VAL 169 Cb -0.25 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3g6j s VAL 169 CO 0.30 0.29 0.74 -0.22 -0.31 0.00 0.00 175.10 175.90 3g6j s LEU 170 N -1.53 4.08 0.57 1.32 0.20 -1.26 -2.41 118.68 119.65 3g6j s LEU 170 Ca 0.14 0.75 -0.14 0.00 0.69 0.00 0.00 54.13 55.57 3g6j s LEU 170 Cb -0.10 -3.01 -0.06 0.00 -0.43 0.00 0.00 46.19 42.59 3g6j s LEU 170 CO 0.05 -0.50 1.01 -1.10 -0.29 0.00 0.00 176.35 175.52 3g6j s GLN 171 N 2.76 3.74 0.61 1.98 -0.21 0.32 -4.93 119.66 123.93 3g6j s GLN 171 Ca 0.30 0.89 0.31 0.00 0.02 0.00 0.00 55.36 56.88 3g6j s GLN 171 Cb -0.15 -2.10 1.75 0.00 1.00 0.00 0.00 33.01 33.51 3g6j s GLN 171 CO 0.10 -0.45 2.11 0.66 -2.12 0.00 0.00 175.29 175.59 3g6j h SER 172 N 0.34 0.00 0.30 5.90 4.64 -1.96 0.20 113.55 122.97 3g6j h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3g6j h SER 172 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3g6j h SER 172 CO 0.61 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 3g6j n SER 173 N -3.59 0.00 0.00 4.97 3.41 -1.26 -4.88 113.62 112.26 3g6j n SER 173 Ca 0.01 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3g6j n SER 173 Cb 0.31 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g6j n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g6j n GLY 174 N -0.02 1.17 3.80 5.00 0.00 0.71 -5.05 105.19 110.81 3g6j n GLY 174 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3g6j n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6j s LEU 175 N 0.00 3.76 0.30 0.99 1.02 -1.26 -4.83 118.68 118.66 3g6j s LEU 175 Ca 0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 54.13 53.87 3g6j s LEU 175 Cb 0.00 -2.33 -0.06 0.00 0.02 0.00 0.00 46.19 43.82 3g6j s LEU 175 CO 0.00 0.02 0.59 -0.31 0.02 0.00 0.00 176.35 176.67 3g6j s TYR 176 N -1.94 3.47 0.02 0.29 2.02 0.53 -0.52 117.35 121.22 3g6j s TYR 176 Ca 0.32 0.73 -0.13 0.00 -0.37 0.00 0.00 57.07 57.61 3g6j s TYR 176 Cb -0.09 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.31 3g6j s TYR 176 CO 0.24 0.14 0.29 -1.54 -1.57 0.00 0.00 175.55 173.10 3g6j s SER 177 N -3.08 -0.12 0.13 2.29 1.04 -1.01 -1.54 113.70 111.41 3g6j s SER 177 Ca 0.45 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 3g6j s SER 177 Cb -0.11 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 3g6j s SER 177 CO 0.29 -0.54 0.16 -1.48 0.98 0.00 0.00 173.24 172.65 3g6j s LEU 178 N -1.78 1.48 -0.03 2.42 0.05 0.22 -2.31 118.68 118.73 3g6j s LEU 178 Ca -0.08 -0.95 0.07 0.00 0.05 0.00 0.00 54.13 53.21 3g6j s LEU 178 Cb -0.03 0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 44.87 3g6j s LEU 178 CO -0.00 -0.78 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.35 3g6j s SER 179 N -2.97 2.79 -0.02 1.48 0.01 -1.26 -1.09 113.70 112.64 3g6j s SER 179 Ca 0.16 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.04 3g6j s SER 179 Cb 0.05 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 3g6j s SER 179 CO -0.03 0.27 -0.22 -0.55 0.41 0.00 0.00 173.24 173.12 3g6j s SER 180 N -0.40 2.63 0.04 2.44 0.15 -0.42 -0.95 113.70 117.20 3g6j s SER 180 Ca 0.05 -0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 3g6j s SER 180 Cb -0.10 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3g6j s SER 180 CO 0.01 0.27 0.18 -0.69 1.20 0.00 0.00 173.24 174.21 3g6j s VAL 181 N -0.50 0.11 -0.10 4.45 1.01 -0.59 0.50 120.40 125.28 3g6j s VAL 181 Ca 0.08 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 3g6j s VAL 181 Cb -0.09 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.39 3g6j s VAL 181 CO -0.01 -0.52 0.41 0.54 0.00 0.00 0.00 175.10 175.53 3g6j s VAL 182 N -2.67 0.02 0.08 2.92 0.11 0.04 -0.65 120.40 120.25 3g6j s VAL 182 Ca -0.04 -0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 3g6j s VAL 182 Cb -0.01 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3g6j s VAL 182 CO -0.05 -0.09 0.27 0.42 -3.33 0.00 0.00 175.10 172.33 3g6j s THR 183 N -0.42 5.30 0.04 5.04 -4.23 -1.18 -1.92 115.64 118.27 3g6j s THR 183 Ca -0.05 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.14 3g6j s THR 183 Cb -0.03 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.22 3g6j s THR 183 CO 0.03 0.14 0.34 0.68 -0.54 0.00 0.00 174.62 175.27 3g6j s VAL 184 N -1.53 0.07 0.13 2.29 -7.23 0.08 -4.82 120.40 109.40 3g6j s VAL 184 Ca 0.36 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.64 3g6j s VAL 184 Cb -0.13 -0.91 -0.10 0.00 0.56 0.00 0.00 36.38 35.80 3g6j s VAL 184 CO 0.25 -0.32 1.68 -2.16 -0.31 0.00 0.00 175.10 174.24 3g6j s PRO 185 N -2.40 4.18 0.29 4.82 0.04 -1.26 -0.32 135.00 140.35 3g6j s PRO 185 Ca -0.06 2.45 0.24 0.00 0.04 0.00 0.00 61.00 63.67 3g6j s PRO 185 Cb -0.01 -3.37 1.03 0.00 0.04 0.00 0.00 34.50 32.19 3g6j s PRO 185 CO -0.02 -0.73 1.73 0.66 0.04 0.00 0.00 177.00 178.68 3g6j h SER 186 N 7.67 0.00 -0.46 6.66 4.64 -1.87 -1.82 113.55 128.37 3g6j h SER 186 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3g6j h SER 186 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3g6j h SER 186 CO 0.93 0.00 0.24 0.77 -0.87 0.00 0.00 176.83 177.91 3g6j h SER 187 N 0.00 0.59 0.59 4.97 4.64 -1.90 -3.14 113.55 119.30 3g6j h SER 187 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3g6j h SER 187 Cb 0.33 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3g6j h SER 187 CO 0.00 0.52 0.00 0.77 -0.87 0.00 0.00 176.83 177.25 3g6j h SER 188 N 0.61 0.00 -3.74 4.97 4.64 -1.71 -3.44 113.55 114.87 3g6j h SER 188 Ca 0.16 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.91 3g6j h SER 188 Cb 0.08 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.33 3g6j h SER 188 CO -0.02 0.00 0.23 0.18 -0.87 0.00 0.00 176.83 176.34 3g6j n LEU 189 N -2.67 4.38 0.00 5.97 4.32 -1.19 -0.63 117.00 127.18 3g6j n LEU 189 Ca 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 3g6j n LEU 189 Cb 0.20 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.56 3g6j n LEU 189 CO 0.21 -1.64 0.00 0.61 -1.22 0.00 0.00 177.39 175.34 3g6j n GLY 190 N 1.20 1.92 0.15 -0.72 0.00 -1.26 -4.51 105.19 101.96 3g6j n GLY 190 Ca 0.15 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3g6j n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g6j h THR 191 N 0.00 1.40 -3.25 2.61 1.35 -1.84 -3.43 112.91 109.75 3g6j h THR 191 Ca 0.00 -2.18 -0.58 0.00 -0.55 0.00 0.00 66.41 63.10 3g6j h THR 191 Cb 0.00 2.64 -0.06 0.00 -1.73 0.00 0.00 68.15 69.00 3g6j h THR 191 CO 0.00 0.64 -0.11 -1.58 -0.25 0.00 0.00 175.52 174.23 3g6j s GLN 192 N -3.12 4.23 0.04 4.72 2.00 0.19 -5.09 119.66 122.64 3g6j s GLN 192 Ca -0.12 0.55 0.03 0.00 -2.00 0.00 0.00 55.36 53.82 3g6j s GLN 192 Cb 0.04 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.46 3g6j s GLN 192 CO 0.85 0.37 0.01 0.95 -0.50 0.00 0.00 175.29 176.97 3g6j s THR 193 N -0.12 4.14 -0.10 -0.34 -4.23 -1.26 -4.66 115.64 109.07 3g6j s THR 193 Ca 0.27 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 3g6j s THR 193 Cb -0.17 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.78 3g6j s THR 193 CO 0.14 0.25 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.03 3g6j s TYR 194 N -1.21 1.74 -0.02 3.99 2.02 -1.26 -4.97 117.35 117.64 3g6j s TYR 194 Ca 0.23 -0.80 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 3g6j s TYR 194 Cb -0.12 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3g6j s TYR 194 CO 0.15 -0.44 -0.16 0.96 -1.57 0.00 0.00 175.55 174.48 3g6j s ILE 195 N 1.09 1.29 -0.11 2.71 -4.36 -1.26 0.12 121.20 120.67 3g6j s ILE 195 Ca -0.05 -0.67 -0.14 0.00 -0.26 0.00 0.00 60.65 59.52 3g6j s ILE 195 Cb -0.14 -1.09 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 3g6j s ILE 195 CO -0.02 0.37 0.34 0.00 0.24 0.00 0.00 174.94 175.87 3g6j s ASN 197 N 0.00 6.13 0.20 0.00 -0.87 0.20 -1.96 114.94 118.65 3g6j s ASN 197 Ca 0.20 -2.27 -0.11 0.00 -1.57 0.00 0.00 52.86 49.10 3g6j s ASN 197 Cb -0.14 -2.11 -0.07 0.00 -0.02 0.00 0.00 41.25 38.91 3g6j s ASN 197 CO 0.07 -0.65 0.55 -0.69 -2.57 0.00 0.00 177.10 173.81 3g6j s VAL 198 N 0.82 4.90 -0.13 1.60 1.01 0.26 -1.67 120.40 127.20 3g6j s VAL 198 Ca 0.11 0.61 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 3g6j s VAL 198 Cb -0.21 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.56 3g6j s VAL 198 CO -0.03 0.04 0.33 0.21 0.00 0.00 0.00 175.10 175.66 3g6j s ASN 199 N -2.11 -0.38 -0.42 3.32 3.84 -0.23 -1.93 114.94 117.03 3g6j s ASN 199 Ca 0.44 0.70 0.02 0.00 0.21 0.00 0.00 52.86 54.23 3g6j s ASN 199 Cb -0.13 0.63 0.15 0.00 -0.55 0.00 0.00 41.25 41.36 3g6j s ASN 199 CO 0.20 -0.16 0.28 -2.28 -2.79 0.00 0.00 177.10 172.36 3g6j s HIS 200 N 0.89 1.30 0.30 0.43 5.65 -0.12 -1.94 115.29 121.79 3g6j s HIS 200 Ca -0.06 -2.16 -0.01 0.00 0.25 0.00 0.00 55.06 53.09 3g6j s HIS 200 Cb -0.07 -1.23 0.48 0.00 -1.18 0.00 0.00 32.58 30.59 3g6j s HIS 200 CO -0.07 -0.80 1.92 0.87 -0.65 0.00 0.00 174.74 176.02 3g6j h LYS 201 N 6.33 1.05 -0.91 2.88 6.56 -1.80 -1.76 116.57 128.93 3g6j h LYS 201 Ca 0.13 -0.06 0.26 0.00 -1.06 0.00 0.00 60.65 59.91 3g6j h LYS 201 Cb 0.92 -0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 32.30 3g6j h LYS 201 CO 0.38 0.70 0.64 -1.35 -2.06 0.00 0.00 179.45 177.76 3g6j h PRO 202 N 1.08 0.06 -0.11 3.15 0.11 -1.92 -2.23 132.00 132.14 3g6j h PRO 202 Ca 0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3g6j h PRO 202 Cb 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3g6j h PRO 202 CO -0.13 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.58 3g6j n SER 203 N -4.31 2.12 -1.20 -2.05 3.41 -0.86 -4.98 113.62 105.76 3g6j n SER 203 Ca 0.19 -1.79 -0.11 0.00 -0.26 0.00 0.00 58.87 56.90 3g6j n SER 203 Cb 0.94 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 3g6j n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3g6j n ASN 204 N 0.01 -3.38 -4.63 4.04 4.13 -0.72 -4.89 115.26 109.82 3g6j n ASN 204 Ca 0.04 0.28 -0.43 0.00 1.68 0.00 0.00 54.58 56.15 3g6j n ASN 204 Cb 0.27 -3.04 -0.02 0.00 -1.54 0.00 0.00 39.78 35.44 3g6j n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3g6j s THR 205 N -1.89 4.01 -0.15 3.41 2.01 -1.10 -4.95 115.64 116.98 3g6j s THR 205 Ca 0.00 1.16 0.01 0.00 0.31 0.00 0.00 61.69 63.17 3g6j s THR 205 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3g6j s THR 205 CO 0.00 -0.36 -0.19 -0.75 -0.69 0.00 0.00 174.62 172.63 3g6j s LYS 206 N 4.22 2.78 -0.03 4.92 2.20 -1.26 -0.95 119.74 131.62 3g6j s LYS 206 Ca 0.61 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 3g6j s LYS 206 Cb -0.20 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3g6j s LYS 206 CO 0.24 -0.14 -0.11 0.08 -0.36 0.00 0.00 175.35 175.06 3g6j s VAL 207 N 1.15 0.94 -0.56 4.02 1.01 -0.81 -5.03 120.40 121.12 3g6j s VAL 207 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3g6j s VAL 207 Cb -0.14 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.57 3g6j s VAL 207 CO -0.08 0.28 0.34 -1.81 0.00 0.00 0.00 175.10 173.83 3g6j s ASP 208 N 0.10 4.21 -0.06 3.32 1.01 -1.26 -0.57 116.67 123.41 3g6j s ASP 208 Ca -0.02 -3.22 -0.20 0.00 0.71 0.00 0.00 52.55 49.81 3g6j s ASP 208 Cb -0.09 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 3g6j s ASP 208 CO 0.01 -0.19 0.58 -0.75 0.21 0.00 0.00 175.17 175.03 3g6j s LYS 209 N -0.54 4.35 0.26 8.23 2.47 -0.83 -4.90 119.74 128.77 3g6j s LYS 209 Ca 0.20 0.67 -0.17 0.00 -1.56 0.00 0.00 55.97 55.11 3g6j s LYS 209 Cb -0.17 -3.40 -0.08 0.00 -1.46 0.00 0.00 37.83 32.71 3g6j s LYS 209 CO -0.06 0.22 0.70 0.21 0.16 0.00 0.00 175.35 176.58 3g6j s LYS 210 N 0.34 4.10 -0.15 4.03 2.20 -1.26 0.07 119.74 129.07 3g6j s LYS 210 Ca 0.31 0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 56.64 3g6j s LYS 210 Cb -0.17 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 3g6j s LYS 210 CO 0.15 0.30 -0.07 0.08 -0.36 0.00 0.00 175.35 175.45 3g6j s VAL 211 N -1.72 1.18 0.11 4.02 1.01 0.12 -4.84 120.40 120.28 3g6j s VAL 211 Ca 0.47 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3g6j s VAL 211 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3g6j s VAL 211 CO 0.19 0.24 -0.10 -1.83 0.00 0.00 0.00 175.10 173.60 3g6j s GLU 212 N 1.62 0.89 0.88 2.72 -1.05 -1.26 -4.11 118.70 118.39 3g6j s GLU 212 Ca 0.02 -1.24 -0.12 0.00 -0.15 0.00 0.00 54.97 53.49 3g6j s GLU 212 Cb -0.14 -0.53 0.10 0.00 -0.44 0.00 0.00 34.13 33.12 3g6j s GLU 212 CO -0.08 0.07 0.99 -2.30 0.95 0.00 0.00 175.26 174.89 3g6j n PRO 213 N 0.34 -0.19 -1.95 -4.83 -0.02 -1.26 -4.58 135.00 122.51 3g6j n PRO 213 Ca -0.14 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 3g6j n PRO 213 Cb 0.59 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3g6j n PRO 213 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3g6j s LYS 214 N -4.18 4.22 -0.17 -0.52 1.02 -1.25 -4.93 119.74 113.92 3g6j s LYS 214 Ca 0.67 2.33 -0.17 0.00 0.02 0.00 0.00 55.97 58.83 3g6j s LYS 214 Cb -0.25 -3.25 -0.22 0.00 -0.52 0.00 0.00 37.83 33.59 3g6j s LYS 214 CO 0.58 -0.62 0.29 0.77 -0.92 0.00 0.00 175.35 175.45 3g6j h SER 215 N 7.09 0.16 0.00 2.83 0.02 -1.97 -3.51 113.55 118.17 3g6j h SER 215 Ca -0.43 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 3g6j h SER 215 Cb 1.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3g6j h SER 215 CO 0.91 1.62 0.00 0.00 -1.14 0.00 0.00 176.83 178.22