#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aeq s VAL 2 N 0.00 2.31 -0.10 6.31 1.01 -1.26 -3.89 120.40 124.77 2aeq s VAL 2 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2aeq s VAL 2 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.30 2aeq s VAL 2 CO 0.00 0.01 0.03 -0.75 0.00 0.00 0.00 175.10 174.39 2aeq s LYS 3 N 1.35 0.42 -0.08 2.72 2.20 0.68 -4.92 119.74 122.11 2aeq s LYS 3 Ca 0.74 0.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.43 2aeq s LYS 3 Cb -0.47 -1.20 -0.01 0.00 -1.51 0.00 0.00 37.83 34.64 2aeq s LYS 3 CO 0.32 -0.42 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.15 2aeq s LEU 4 N 2.01 2.15 -0.25 5.43 1.43 -1.26 -2.48 118.68 125.71 2aeq s LEU 4 Ca 0.04 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2aeq s LEU 4 Cb -0.14 -1.41 0.12 0.00 0.03 0.00 0.00 46.19 44.79 2aeq s LEU 4 CO -0.06 0.22 0.27 0.54 0.23 0.00 0.00 176.35 177.55 2aeq s VAL 5 N 0.00 -0.39 0.31 -1.59 0.11 -1.25 -3.96 120.40 113.64 2aeq s VAL 5 Ca -0.08 -0.28 -0.27 0.00 -2.93 0.00 0.00 61.98 58.42 2aeq s VAL 5 Cb -0.15 -0.83 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 2aeq s VAL 5 CO 0.05 -0.32 0.96 -1.83 -3.33 0.00 0.00 175.10 170.64 2aeq s GLU 6 N 2.37 4.61 0.44 1.54 1.03 -1.24 -2.06 118.70 125.39 2aeq s GLU 6 Ca 0.09 1.40 0.03 0.00 0.03 0.00 0.00 54.97 56.52 2aeq s GLU 6 Cb -0.15 -2.89 -0.01 0.00 -0.80 0.00 0.00 34.13 30.28 2aeq s GLU 6 CO -0.22 0.29 0.11 0.45 -1.33 0.00 0.00 175.26 174.55 2aeq n SER 7 N 0.72 1.87 -0.49 0.83 2.88 0.63 -4.60 113.62 115.47 2aeq n SER 7 Ca 0.01 -3.22 0.06 0.00 -1.33 0.00 0.00 58.87 54.39 2aeq n SER 7 Cb 0.49 0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 64.79 2aeq n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aeq n GLY 8 N -0.93 -2.08 0.37 0.46 0.00 -1.26 -2.27 105.19 99.47 2aeq n GLY 8 Ca -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2aeq n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aeq n GLY 9 N -1.84 -3.66 0.00 -0.02 0.00 -1.26 -4.73 105.19 93.68 2aeq n GLY 9 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2aeq n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aeq n GLY 10 N -0.29 -1.94 3.52 -0.02 0.00 -1.20 -4.67 105.19 100.59 2aeq n GLY 10 Ca 0.00 0.78 -0.37 0.00 0.00 0.00 0.00 46.02 46.44 2aeq n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aeq s LEU 11 N 0.00 3.69 -0.04 0.99 2.01 -1.26 -4.57 118.68 119.49 2aeq s LEU 11 Ca 0.00 -0.10 -0.09 0.00 0.01 0.00 0.00 54.13 53.95 2aeq s LEU 11 Cb 0.00 -2.00 0.01 0.00 0.01 0.00 0.00 46.19 44.22 2aeq s LEU 11 CO 0.00 -0.02 0.20 -0.69 1.01 0.00 0.00 176.35 176.86 2aeq s VAL 12 N 1.52 0.04 0.24 -1.59 1.01 -1.26 -5.16 120.40 115.20 2aeq s VAL 12 Ca 0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2aeq s VAL 12 Cb -0.15 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.74 2aeq s VAL 12 CO 0.06 -0.19 0.69 -1.10 0.00 0.00 0.00 175.10 174.56 2aeq s GLN 13 N -0.68 4.10 -0.82 2.72 -0.21 -1.26 -4.93 119.66 118.57 2aeq s GLN 13 Ca -0.08 0.71 -0.23 0.00 0.02 0.00 0.00 55.36 55.78 2aeq s GLN 13 Cb -0.04 -2.73 -0.19 0.00 1.00 0.00 0.00 33.01 31.04 2aeq s GLN 13 CO 0.01 0.33 2.43 -2.30 -2.12 0.00 0.00 175.29 173.64 2aeq n PRO 14 N 0.34 0.39 0.00 2.91 -0.02 -1.26 0.31 135.00 137.66 2aeq n PRO 14 Ca -0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2aeq n PRO 14 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2aeq n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aeq n GLY 15 N 6.20 1.18 3.82 -1.23 0.00 -1.26 -4.81 105.19 109.08 2aeq n GLY 15 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 2aeq n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aeq s GLY 16 N -1.35 2.56 0.41 -0.02 0.00 0.15 -3.50 107.32 105.56 2aeq s GLY 16 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 44.72 44.81 2aeq s GLY 16 CO 0.00 0.54 0.80 -1.35 0.00 0.00 0.00 173.10 173.10 2aeq s SER 17 N -1.85 6.60 -0.19 1.64 1.04 -1.26 -0.30 113.70 119.38 2aeq s SER 17 Ca 0.49 1.25 -0.28 0.00 0.48 0.00 0.00 55.95 57.89 2aeq s SER 17 Cb -0.15 -2.37 0.09 0.00 0.10 0.00 0.00 66.02 63.70 2aeq s SER 17 CO 0.20 -0.39 0.84 -0.22 0.98 0.00 0.00 173.24 174.65 2aeq s LEU 18 N -3.69 -0.58 -0.06 2.42 0.20 -0.34 -4.91 118.68 111.71 2aeq s LEU 18 Ca 0.53 0.90 0.02 0.00 0.69 0.00 0.00 54.13 56.27 2aeq s LEU 18 Cb -0.10 2.23 0.02 0.00 -0.43 0.00 0.00 46.19 47.90 2aeq s LEU 18 CO 0.28 -0.35 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.95 2aeq s SER 19 N -0.39 1.64 0.88 3.68 1.04 -1.25 0.24 113.70 119.54 2aeq s SER 19 Ca -0.03 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 2aeq s SER 19 Cb -0.03 -0.76 0.19 0.00 0.10 0.00 0.00 66.02 65.52 2aeq s SER 19 CO 0.02 0.01 1.21 -0.76 0.98 0.00 0.00 173.24 174.70 2aeq s LEU 20 N 0.75 2.83 -0.11 2.42 1.43 -0.01 -4.77 118.68 121.22 2aeq s LEU 20 Ca -0.13 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 2aeq s LEU 20 Cb -0.15 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2aeq s LEU 20 CO 0.03 -2.48 0.23 -0.44 0.23 0.00 0.00 176.35 173.92 2aeq s SER 21 N -4.87 0.36 -0.23 2.29 0.01 -0.96 -3.26 113.70 107.04 2aeq s SER 21 Ca 0.72 0.51 -0.06 0.00 1.31 0.00 0.00 55.95 58.43 2aeq s SER 21 Cb -0.03 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2aeq s SER 21 CO 0.50 -0.23 0.04 0.00 0.41 0.00 0.00 173.24 173.96 2aeq s ALA 23 N 1.33 3.65 0.02 0.00 0.00 -0.87 -1.54 121.76 124.35 2aeq s ALA 23 Ca 0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2aeq s ALA 23 Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2aeq s ALA 23 CO 0.02 -0.70 0.04 0.99 0.00 0.00 0.00 175.76 176.11 2aeq s THR 24 N -2.79 0.12 0.00 0.00 2.01 -0.69 -3.79 115.64 110.49 2aeq s THR 24 Ca 0.54 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2aeq s THR 24 Cb -0.10 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2aeq s THR 24 CO 0.40 -0.56 0.00 -1.54 -0.69 0.00 0.00 174.62 172.24 2aeq n SER 25 N 1.20 0.00 0.00 3.53 3.41 -1.03 -4.95 113.62 115.77 2aeq n SER 25 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2aeq n SER 25 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2aeq n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aeq n GLY 26 N 0.00 1.98 3.46 5.00 0.00 -1.25 0.25 105.19 114.63 2aeq n GLY 26 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2aeq n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aeq s PHE 27 N 0.00 0.98 -0.91 1.61 5.36 -1.26 -4.63 117.98 119.13 2aeq s PHE 27 Ca 0.00 -1.21 -0.17 0.00 -0.96 0.00 0.00 56.93 54.59 2aeq s PHE 27 Cb 0.00 -0.13 -0.25 0.00 -0.34 0.00 0.00 43.02 42.30 2aeq s PHE 27 CO 0.00 -1.03 2.27 2.41 -1.46 0.00 0.00 175.22 177.42 2aeq n THR 28 N -0.49 -0.00 -0.11 0.12 -1.04 -1.26 -4.78 114.28 106.72 2aeq n THR 28 Ca 0.01 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.49 2aeq n THR 28 Cb 0.62 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 2aeq n THR 28 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2aeq h PHE 29 N 11.80 -0.49 -1.58 -1.42 3.57 -1.97 -3.22 116.94 123.63 2aeq h PHE 29 Ca 0.02 0.03 -0.48 0.00 3.53 0.00 0.00 57.97 61.07 2aeq h PHE 29 Cb 1.08 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2aeq h PHE 29 CO 1.29 -0.10 1.62 -0.89 -2.23 0.00 0.00 178.31 178.00 2aeq n ILE 30 N -3.57 -0.03 0.00 1.41 -0.00 -1.26 -2.10 119.36 113.81 2aeq n ILE 30 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 62.75 62.03 2aeq n ILE 30 Cb 0.07 -2.67 0.00 0.00 -0.00 0.00 0.00 39.64 37.04 2aeq n ILE 30 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2aeq n ASP 31 N 15.12 0.00 -4.33 4.38 9.92 -1.21 -4.93 116.55 135.50 2aeq n ASP 31 Ca 0.37 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.40 2aeq n ASP 31 Cb 0.51 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.87 2aeq n ASP 31 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2aeq s TYR 32 N 0.00 1.85 0.55 1.24 2.02 -0.89 -4.75 117.35 117.37 2aeq s TYR 32 Ca 0.00 -0.44 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 2aeq s TYR 32 Cb 0.00 -0.95 -0.06 0.00 -0.40 0.00 0.00 41.96 40.55 2aeq s TYR 32 CO 0.00 0.30 1.02 0.71 -1.57 0.00 0.00 175.55 176.01 2aeq s TYR 33 N -1.74 3.26 -0.04 2.71 1.51 -1.17 -4.55 117.35 117.33 2aeq s TYR 33 Ca 0.13 1.48 0.02 0.00 -1.01 0.00 0.00 57.07 57.69 2aeq s TYR 33 Cb -0.07 -2.88 0.02 0.00 -0.11 0.00 0.00 41.96 38.91 2aeq s TYR 33 CO 0.06 -0.69 -0.07 -1.64 -1.11 0.00 0.00 175.55 172.11 2aeq s MET 34 N -4.09 1.00 0.39 -0.62 -1.94 -0.93 -0.81 119.30 112.30 2aeq s MET 34 Ca 0.61 -0.20 0.08 0.00 -1.71 0.00 0.00 55.69 54.46 2aeq s MET 34 Cb -0.12 -0.93 -0.07 0.00 2.01 0.00 0.00 34.83 35.71 2aeq s MET 34 CO 0.34 -0.01 0.03 0.45 -0.01 0.00 0.00 175.02 175.81 2aeq s SER 35 N 0.68 4.00 -0.04 3.03 0.15 0.54 -1.17 113.70 120.88 2aeq s SER 35 Ca -0.10 -1.24 0.02 0.00 0.70 0.00 0.00 55.95 55.33 2aeq s SER 35 Cb -0.13 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.76 2aeq s SER 35 CO 0.01 -0.40 -0.10 0.26 1.20 0.00 0.00 173.24 174.21 2aeq s TRP 36 N -2.65 1.14 0.08 3.44 0.52 -0.44 -1.49 118.94 119.55 2aeq s TRP 36 Ca 0.36 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.18 2aeq s TRP 36 Cb 0.06 -0.84 -0.03 0.00 -1.15 0.00 0.00 33.47 31.51 2aeq s TRP 36 CO 0.19 -0.18 -0.14 -0.06 0.02 0.00 0.00 176.95 176.78 2aeq s PHE 37 N 0.46 1.23 0.06 -1.98 0.08 0.13 -2.33 117.98 115.63 2aeq s PHE 37 Ca -0.09 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.51 2aeq s PHE 37 Cb -0.12 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2aeq s PHE 37 CO 0.02 0.07 -0.13 0.50 -0.10 0.00 0.00 175.22 175.57 2aeq s ARG 38 N -2.04 0.80 -0.32 0.44 3.52 -0.28 0.64 118.95 121.71 2aeq s ARG 38 Ca 0.01 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2aeq s ARG 38 Cb -0.08 -0.78 0.10 0.00 -1.56 0.00 0.00 34.95 32.63 2aeq s ARG 38 CO 0.02 0.18 0.08 -1.14 -0.81 0.00 0.00 175.30 173.63 2aeq s GLN 39 N -1.51 0.98 0.99 5.12 0.74 0.14 -0.77 119.66 125.36 2aeq s GLN 39 Ca -0.02 -1.36 -0.17 0.00 0.05 0.00 0.00 55.36 53.86 2aeq s GLN 39 Cb -0.09 -2.41 -0.06 0.00 1.10 0.00 0.00 33.01 31.55 2aeq s GLN 39 CO 0.02 -0.97 -0.34 -2.30 -0.55 0.00 0.00 175.29 171.15 2aeq n PRO 40 N 4.63 -0.29 -0.18 1.67 -0.02 -1.26 -1.63 135.00 137.92 2aeq n PRO 40 Ca 0.00 -0.07 -0.05 0.00 -2.02 0.00 0.00 63.50 61.37 2aeq n PRO 40 Cb 0.42 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 2aeq n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2aeq n PRO 41 N 0.39 -0.18 -2.77 0.52 -0.04 -1.26 -3.17 135.00 128.49 2aeq n PRO 41 Ca 0.02 0.64 -0.10 0.00 -0.04 0.00 0.00 63.50 64.02 2aeq n PRO 41 Cb 0.58 -0.94 0.06 0.00 -0.04 0.00 0.00 33.50 33.16 2aeq n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aeq n GLY 42 N -1.11 1.64 0.00 0.55 0.00 -1.26 -5.06 105.19 99.95 2aeq n GLY 42 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2aeq n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2aeq n LYS 43 N -0.12 2.59 -3.45 1.61 3.00 -1.19 -5.15 118.16 115.45 2aeq n LYS 43 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.09 2aeq n LYS 43 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.78 2aeq n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aeq s ALA 44 N -2.00 3.67 0.75 3.14 0.00 -1.26 -4.74 121.76 121.32 2aeq s ALA 44 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 2aeq s ALA 44 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.79 2aeq s ALA 44 CO 0.00 0.36 -0.03 1.28 0.00 0.00 0.00 175.76 177.38 2aeq n LEU 45 N -0.66 -2.37 -3.89 0.00 4.77 -1.26 -4.60 117.00 108.98 2aeq n LEU 45 Ca -0.02 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2aeq n LEU 45 Cb 0.53 -0.99 -0.13 0.00 -2.33 0.00 0.00 43.42 40.50 2aeq n LEU 45 CO 0.48 -4.42 -0.36 -0.70 -1.33 0.00 0.00 177.39 171.06 2aeq s GLU 46 N -2.13 0.07 -0.01 3.23 2.12 0.05 -5.00 118.70 117.03 2aeq s GLU 46 Ca 0.55 -0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 2aeq s GLU 46 Cb -0.33 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.03 2aeq s GLU 46 CO 0.68 -0.01 0.29 -0.46 -0.54 0.00 0.00 175.26 175.22 2aeq s TRP 47 N -0.32 3.62 -0.05 5.30 -0.00 -1.26 -1.12 118.94 125.10 2aeq s TRP 47 Ca -0.03 0.70 -0.08 0.00 -0.00 0.00 0.00 56.10 56.68 2aeq s TRP 47 Cb -0.02 -2.07 -0.03 0.00 -0.00 0.00 0.00 33.47 31.34 2aeq s TRP 47 CO -0.00 0.64 -0.16 1.28 -0.00 0.00 0.00 176.95 178.71 2aeq n LEU 48 N 1.46 1.32 0.00 5.86 4.77 -0.99 -4.81 117.00 124.62 2aeq n LEU 48 Ca -0.13 0.21 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2aeq n LEU 48 Cb 0.53 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2aeq n LEU 48 CO 0.38 -0.32 0.58 0.61 -1.33 0.00 0.00 177.39 177.30 2aeq n GLY 49 N 2.48 0.40 3.57 -0.72 0.00 -1.23 -1.59 105.19 108.09 2aeq n GLY 49 Ca -0.11 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2aeq n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aeq s LEU 50 N 0.00 -0.61 -0.14 0.99 0.05 -0.84 -1.33 118.68 116.81 2aeq s LEU 50 Ca 0.16 0.86 -0.06 0.00 0.05 0.00 0.00 54.13 55.14 2aeq s LEU 50 Cb -0.00 2.34 -0.04 0.00 -2.05 0.00 0.00 46.19 46.43 2aeq s LEU 50 CO -0.00 -0.43 0.09 -0.51 -0.55 0.00 0.00 176.35 174.95 2aeq s ILE 51 N -0.64 5.04 0.06 1.48 2.07 -0.32 -2.67 121.20 126.22 2aeq s ILE 51 Ca -0.05 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.22 2aeq s ILE 51 Cb -0.02 -3.21 0.01 0.00 0.13 0.00 0.00 42.46 39.38 2aeq s ILE 51 CO 0.05 0.56 0.08 0.54 -1.91 0.00 0.00 174.94 174.25 2aeq n ARG 52 N 2.58 -0.25 -1.70 3.50 1.74 0.18 -2.20 116.66 120.52 2aeq n ARG 52 Ca -0.18 -0.12 -0.44 0.00 -0.77 0.00 0.00 57.85 56.34 2aeq n ARG 52 Cb 0.54 -0.08 -0.03 0.00 -1.02 0.00 0.00 32.46 31.87 2aeq n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2aeq n ASN 53 N -3.06 3.24 0.15 0.55 2.85 -1.26 -3.47 115.26 114.25 2aeq n ASN 53 Ca 0.01 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.71 2aeq n ASN 53 Cb 0.03 -1.49 0.53 0.00 1.24 0.00 0.00 39.78 40.10 2aeq n ASN 53 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2aeq n LYS 54 N 2.53 0.16 -2.75 1.20 4.76 -1.26 -0.10 118.16 122.70 2aeq n LYS 54 Ca 0.12 0.54 -0.43 0.00 -2.87 0.00 0.00 58.31 55.68 2aeq n LYS 54 Cb 0.33 -1.91 -0.04 0.00 -1.84 0.00 0.00 35.03 31.57 2aeq n LYS 54 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2aeq s GLY 55 N -3.54 1.34 0.00 0.72 0.00 -1.26 -4.48 107.32 100.09 2aeq s GLY 55 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2aeq s GLY 55 CO 0.28 2.19 0.00 1.16 0.00 0.00 0.00 173.10 176.73 2aeq n ASN 56 N 7.71 0.00 0.00 1.64 0.23 -1.26 -4.70 115.26 118.88 2aeq n ASN 56 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 2aeq n ASN 56 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2aeq n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aeq n GLY 57 N 0.00 -2.63 2.66 4.83 0.00 0.86 -4.75 105.19 106.16 2aeq n GLY 57 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2aeq n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aeq n TYR 58 N 0.00 0.00 -1.84 1.61 4.01 -0.42 -4.90 117.16 115.63 2aeq n TYR 58 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 2aeq n TYR 58 Cb 0.00 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 38.84 2aeq n TYR 58 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2aeq s THR 59 N -2.83 4.61 0.49 -0.72 -4.23 -1.26 -4.57 115.64 107.14 2aeq s THR 59 Ca 0.00 0.85 0.05 0.00 -1.18 0.00 0.00 61.69 61.41 2aeq s THR 59 Cb 0.00 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 2aeq s THR 59 CO 0.00 -1.11 0.25 -0.04 -0.54 0.00 0.00 174.62 173.18 2aeq s MET 60 N -5.17 2.24 -0.23 3.99 -1.94 -1.26 0.49 119.30 117.43 2aeq s MET 60 Ca 0.55 -2.04 -0.17 0.00 -1.71 0.00 0.00 55.69 52.33 2aeq s MET 60 Cb -0.11 -1.95 0.06 0.00 2.01 0.00 0.00 34.83 34.85 2aeq s MET 60 CO 0.54 -0.40 0.59 -2.00 -0.01 0.00 0.00 175.02 173.75 2aeq s GLU 61 N -4.07 0.64 0.24 2.03 2.56 -1.09 -4.96 118.70 114.06 2aeq s GLU 61 Ca 0.30 0.94 0.03 0.00 0.00 0.00 0.00 54.97 56.24 2aeq s GLU 61 Cb 0.00 0.21 -0.01 0.00 2.00 0.00 0.00 34.13 36.34 2aeq s GLU 61 CO 0.18 -0.12 0.11 0.66 -0.56 0.00 0.00 175.26 175.53 2aeq n TYR 62 N 3.50 -0.06 -4.68 5.30 4.01 -1.26 -1.98 117.16 121.98 2aeq n TYR 62 Ca -0.17 -1.68 -0.33 0.00 -0.16 0.00 0.00 57.90 55.56 2aeq n TYR 62 Cb 0.57 0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.51 2aeq n TYR 62 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aeq s SER 63 N -2.55 4.32 0.28 7.72 1.04 -0.62 -4.90 113.70 118.99 2aeq s SER 63 Ca 0.16 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.41 2aeq s SER 63 Cb 0.01 -1.44 0.63 0.00 0.10 0.00 0.00 66.02 65.32 2aeq s SER 63 CO 0.11 0.23 1.75 0.00 0.98 0.00 0.00 173.24 176.32 2aeq h ALA 64 N 6.19 1.41 -0.63 5.32 0.00 -1.98 -2.41 119.26 127.15 2aeq h ALA 64 Ca -0.35 0.10 0.25 0.00 0.00 0.00 0.00 54.91 54.91 2aeq h ALA 64 Cb 1.19 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 2aeq h ALA 64 CO 0.56 -0.14 0.28 0.43 0.00 0.00 0.00 179.25 180.38 2aeq n SER 65 N -4.89 0.17 0.00 0.00 7.64 -1.26 -2.25 113.62 113.03 2aeq n SER 65 Ca 0.20 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2aeq n SER 65 Cb 0.52 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2aeq n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2aeq n LEU 66 N -4.51 0.40 -2.04 -3.43 4.77 -0.92 -5.10 117.00 106.18 2aeq n LEU 66 Ca 0.22 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2aeq n LEU 66 Cb 0.76 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2aeq n LEU 66 CO -0.00 -0.23 -0.44 1.17 -1.33 0.00 0.00 177.39 176.56 2aeq n LYS 67 N -1.77 -5.13 0.00 3.23 3.00 -0.95 -4.35 118.16 112.19 2aeq n LYS 67 Ca 0.00 3.62 0.00 0.00 -0.00 0.00 0.00 58.31 61.93 2aeq n LYS 67 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 35.03 31.05 2aeq n LYS 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2aeq n GLY 68 N 1.79 1.93 0.06 3.14 0.00 -1.26 -4.71 105.19 106.14 2aeq n GLY 68 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2aeq n GLY 68 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aeq h ARG 69 N 0.07 -0.01 -5.58 1.61 3.08 -1.93 -3.45 114.38 108.17 2aeq h ARG 69 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2aeq h ARG 69 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2aeq h ARG 69 CO 0.00 0.73 -0.52 -0.06 -1.07 0.00 0.00 179.97 179.05 2aeq s PHE 70 N -3.24 3.45 -0.02 3.04 0.40 -1.25 -3.13 117.98 117.23 2aeq s PHE 70 Ca -0.17 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 2aeq s PHE 70 Cb -0.01 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.56 2aeq s PHE 70 CO 0.67 0.54 -0.03 0.99 0.70 0.00 0.00 175.22 178.09 2aeq s THR 71 N -0.57 0.33 -0.08 0.64 2.01 -0.37 -4.86 115.64 112.75 2aeq s THR 71 Ca 0.12 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2aeq s THR 71 Cb -0.12 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 2aeq s THR 71 CO 0.02 0.13 0.01 -0.63 -0.69 0.00 0.00 174.62 173.47 2aeq s ILE 72 N 0.36 4.38 0.28 1.82 1.01 -1.26 -1.08 121.20 126.70 2aeq s ILE 72 Ca -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2aeq s ILE 72 Cb -0.07 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2aeq s ILE 72 CO -0.00 0.57 0.26 -0.94 0.00 0.00 0.00 174.94 174.83 2aeq s SER 73 N -1.00 0.87 -0.17 3.58 1.04 -1.20 -5.00 113.70 111.82 2aeq s SER 73 Ca 0.14 -1.53 -0.25 0.00 0.48 0.00 0.00 55.95 54.80 2aeq s SER 73 Cb -0.11 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.57 2aeq s SER 73 CO 0.04 -1.01 0.64 0.00 0.98 0.00 0.00 173.24 173.88 2aeq s ARG 74 N -3.71 0.85 -1.09 4.02 1.70 -1.26 -1.90 118.95 117.56 2aeq s ARG 74 Ca 0.38 0.63 -0.08 0.00 -0.47 0.00 0.00 55.73 56.19 2aeq s ARG 74 Cb 0.04 0.41 0.27 0.00 -0.57 0.00 0.00 34.95 35.10 2aeq s ARG 74 CO 0.19 -0.17 1.09 -3.47 -1.08 0.00 0.00 175.30 171.86 2aeq n ASP 75 N 2.05 5.39 -0.19 -2.89 -0.08 -0.80 -4.86 116.55 115.18 2aeq n ASP 75 Ca -0.16 -3.07 0.28 0.00 -1.51 0.00 0.00 54.79 50.34 2aeq n ASP 75 Cb 0.56 -1.33 0.71 0.00 2.34 0.00 0.00 41.12 43.40 2aeq n ASP 75 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2aeq h ASN 76 N 6.50 0.03 0.74 1.67 2.35 -1.97 1.04 115.58 125.95 2aeq h ASN 76 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2aeq h ASN 76 Cb 0.85 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 2aeq h ASN 76 CO 1.01 0.01 -0.06 -1.28 -1.65 0.00 0.00 177.43 175.46 2aeq h SER 77 N 0.03 0.00 0.00 5.81 0.87 -1.96 -3.15 113.55 115.15 2aeq h SER 77 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2aeq h SER 77 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2aeq h SER 77 CO -0.02 0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 2aeq n GLN 78 N -3.24 1.29 -3.49 2.24 6.02 0.32 -5.04 117.38 115.47 2aeq n GLN 78 Ca -0.00 -0.96 -0.23 0.00 -0.01 0.00 0.00 57.00 55.79 2aeq n GLN 78 Cb 0.28 -0.87 0.06 0.00 1.02 0.00 0.00 30.24 30.73 2aeq n GLN 78 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2aeq n SER 79 N -0.25 -5.29 -4.03 1.08 7.64 0.11 -4.73 113.62 108.15 2aeq n SER 79 Ca 0.00 -0.85 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 2aeq n SER 79 Cb 0.24 -4.30 -0.11 0.00 -1.01 0.00 0.00 64.21 59.03 2aeq n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2aeq s ILE 80 N -3.45 0.31 -0.03 0.44 1.01 -1.19 -1.71 121.20 116.58 2aeq s ILE 80 Ca 0.40 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2aeq s ILE 80 Cb -0.10 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 2aeq s ILE 80 CO 0.80 -0.50 -0.15 -0.69 0.00 0.00 0.00 174.94 174.39 2aeq s VAL 81 N -1.67 1.26 0.29 2.92 1.01 -0.59 -1.90 120.40 121.71 2aeq s VAL 81 Ca -0.11 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2aeq s VAL 81 Cb -0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2aeq s VAL 81 CO -0.01 0.36 -0.06 -0.31 0.00 0.00 0.00 175.10 175.08 2aeq s TYR 82 N -0.11 2.53 -0.24 5.22 2.02 -0.80 -0.33 117.35 125.63 2aeq s TYR 82 Ca 0.01 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2aeq s TYR 82 Cb -0.09 -1.20 0.08 0.00 -0.40 0.00 0.00 41.96 40.35 2aeq s TYR 82 CO 0.01 0.62 0.09 -1.17 -1.57 0.00 0.00 175.55 173.53 2aeq s LEU 83 N -3.63 0.88 -0.21 -1.29 2.96 -1.20 -3.26 118.68 112.92 2aeq s LEU 83 Ca 0.32 -1.05 -0.18 0.00 -0.22 0.00 0.00 54.13 52.99 2aeq s LEU 83 Cb -0.04 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 2aeq s LEU 83 CO 0.18 -0.38 0.52 -1.00 -1.32 0.00 0.00 176.35 174.35 2aeq s HIS 84 N 1.99 3.36 0.13 5.38 3.76 -0.24 -0.83 115.29 128.83 2aeq s HIS 84 Ca 0.05 0.76 0.06 0.00 -0.15 0.00 0.00 55.06 55.78 2aeq s HIS 84 Cb -0.16 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 2aeq s HIS 84 CO -0.21 -0.13 -0.15 -1.64 -0.85 0.00 0.00 174.74 171.76 2aeq s MET 85 N 1.74 1.07 -0.13 1.40 1.00 0.14 -1.24 119.30 123.28 2aeq s MET 85 Ca 0.24 -1.26 -0.03 0.00 0.00 0.00 0.00 55.69 54.64 2aeq s MET 85 Cb -0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 34.83 33.64 2aeq s MET 85 CO 0.09 0.20 -0.04 1.21 0.00 0.00 0.00 175.02 176.48 2aeq s ASN 86 N -2.44 4.78 0.31 3.03 2.47 -1.18 -1.20 114.94 120.70 2aeq s ASN 86 Ca 0.10 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2aeq s ASN 86 Cb -0.05 -1.63 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 2aeq s ASN 86 CO 0.04 0.23 0.00 0.35 -3.72 0.00 0.00 177.10 173.99 2aeq n THR 87 N 3.15 0.00 0.00 -5.21 -2.24 0.59 -4.87 114.28 105.70 2aeq n THR 87 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2aeq n THR 87 Cb 0.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2aeq n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2aeq n LEU 88 N 0.00 0.00 -0.58 3.22 -0.00 -1.26 -4.47 117.00 113.91 2aeq n LEU 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2aeq n LEU 88 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 2aeq n LEU 88 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.46 2aeq n THR 89 N -0.45 0.00 0.00 1.96 5.66 -1.26 -1.27 114.28 118.92 2aeq n THR 89 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2aeq n THR 89 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 2aeq n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aeq n ALA 90 N -0.58 0.00 0.11 1.79 0.00 -1.26 -3.99 120.51 116.58 2aeq n ALA 90 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2aeq n ALA 90 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 2aeq n ALA 90 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2aeq h GLU 91 N 0.00 0.00 0.00 0.00 4.81 -2.01 1.20 114.58 118.58 2aeq h GLU 91 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2aeq h GLU 91 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2aeq h GLU 91 CO 0.00 0.00 -0.10 -0.25 -0.73 0.00 0.00 179.01 177.93 2aeq n ASP 92 N -3.37 0.25 -4.71 1.04 8.00 -0.39 -4.81 116.55 112.55 2aeq n ASP 92 Ca 0.07 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 2aeq n ASP 92 Cb 0.73 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2aeq n ASP 92 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2aeq s SER 93 N -3.32 7.37 0.00 -2.24 1.04 0.41 -4.93 113.70 112.04 2aeq s SER 93 Ca 0.13 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2aeq s SER 93 Cb 0.17 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2aeq s SER 93 CO 0.57 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.57 2aeq n ALA 94 N 3.74 0.00 -3.52 5.32 0.00 0.47 -4.27 120.51 122.25 2aeq n ALA 94 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2aeq n ALA 94 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 2aeq n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aeq s THR 95 N -2.06 3.32 -0.12 0.00 2.01 -0.64 -1.19 115.64 116.95 2aeq s THR 95 Ca 0.00 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 2aeq s THR 95 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2aeq s THR 95 CO 0.00 0.43 0.33 -0.31 -0.69 0.00 0.00 174.62 174.37 2aeq s TYR 96 N 1.46 3.53 0.05 4.92 1.51 0.04 0.26 117.35 129.12 2aeq s TYR 96 Ca 0.06 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 56.89 2aeq s TYR 96 Cb -0.14 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2aeq s TYR 96 CO -0.04 0.34 -0.22 0.71 -1.11 0.00 0.00 175.55 175.23 2aeq s TYR 97 N 0.10 1.94 0.01 2.71 1.51 0.21 -1.89 117.35 121.94 2aeq s TYR 97 Ca 0.19 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2aeq s TYR 97 Cb -0.14 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2aeq s TYR 97 CO 0.06 0.12 -0.13 0.00 -1.11 0.00 0.00 175.55 174.50 2aeq s ALA 99 N -0.92 0.42 0.35 0.00 0.00 -0.55 -1.53 121.76 119.53 2aeq s ALA 99 Ca 0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 2aeq s ALA 99 Cb -0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 2aeq s ALA 99 CO 0.05 0.00 0.98 0.50 0.00 0.00 0.00 175.76 177.30 2aeq s ARG 100 N 0.59 4.44 -0.00 0.00 3.00 -0.88 -0.34 118.95 125.75 2aeq s ARG 100 Ca -0.06 1.39 0.08 0.00 -1.00 0.00 0.00 55.73 56.14 2aeq s ARG 100 Cb -0.10 -2.70 -0.02 0.00 0.00 0.00 0.00 34.95 32.13 2aeq s ARG 100 CO -0.01 0.13 -0.24 0.08 0.00 0.00 0.00 175.30 175.26 2aeq s VAL 101 N -1.64 2.27 -0.01 7.11 1.01 0.01 -1.56 120.40 127.59 2aeq s VAL 101 Ca 0.53 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2aeq s VAL 101 Cb -0.20 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2aeq s VAL 101 CO 0.25 0.51 -0.02 -0.62 0.00 0.00 0.00 175.10 175.21 2aeq s ASP 102 N -0.86 0.31 -1.33 3.32 2.15 -1.26 -3.03 116.67 115.97 2aeq s ASP 102 Ca 0.11 -0.04 -0.04 0.00 0.43 0.00 0.00 52.55 53.00 2aeq s ASP 102 Cb -0.10 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 2aeq s ASP 102 CO 0.01 0.02 0.55 -1.22 -0.17 0.00 0.00 175.17 174.35 2aeq n TYR 103 N 3.15 -1.73 -0.96 -5.34 4.01 -1.26 -1.81 117.16 113.22 2aeq n TYR 103 Ca -0.14 0.47 -0.03 0.00 -0.16 0.00 0.00 57.90 58.04 2aeq n TYR 103 Cb 0.58 -4.04 -0.01 0.00 -0.31 0.00 0.00 39.34 35.56 2aeq n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aeq n GLY 104 N -1.44 0.30 0.00 2.72 0.00 -1.26 -4.39 105.19 101.12 2aeq n GLY 104 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2aeq n GLY 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2aeq n THR 105 N -1.11 0.00 -0.04 2.61 -1.04 -1.17 -5.03 114.28 108.50 2aeq n THR 105 Ca -0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.76 2aeq n THR 105 Cb 0.12 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.50 2aeq n THR 105 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2aeq h ASN 106 N 0.00 0.24 -5.37 8.00 4.21 -1.56 -3.49 115.58 117.61 2aeq h ASN 106 Ca 0.00 -0.75 -0.13 0.00 1.21 0.00 0.00 56.30 56.62 2aeq h ASN 106 Cb 0.76 -0.08 0.11 0.00 -1.12 0.00 0.00 38.32 37.99 2aeq h ASN 106 CO 0.00 1.65 -0.46 -1.22 -1.29 0.00 0.00 177.43 176.11 2aeq n TYR 107 N -3.98 -2.66 0.00 1.19 4.02 -1.25 -4.93 117.16 109.55 2aeq n TYR 107 Ca -0.30 0.97 0.00 0.00 -0.01 0.00 0.00 57.90 58.56 2aeq n TYR 107 Cb 0.86 -4.09 0.00 0.00 -0.02 0.00 0.00 39.34 36.09 2aeq n TYR 107 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2aeq n ASP 108 N -2.54 0.00 -4.71 7.72 8.00 -0.60 -4.89 116.55 119.53 2aeq n ASP 108 Ca -0.04 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 2aeq n ASP 108 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2aeq n ASP 108 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2aeq n TYR 109 N 0.00 2.50 -4.37 1.24 4.01 -1.26 -4.79 117.16 114.49 2aeq n TYR 109 Ca 0.00 0.35 -0.27 0.00 -0.16 0.00 0.00 57.90 57.82 2aeq n TYR 109 Cb 0.00 -2.52 -0.11 0.00 -0.31 0.00 0.00 39.34 36.40 2aeq n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2aeq s TRP 110 N -0.07 2.42 0.91 -0.72 0.52 -1.26 -2.07 118.94 118.68 2aeq s TRP 110 Ca 0.66 -0.31 -0.14 0.00 0.02 0.00 0.00 56.10 56.33 2aeq s TRP 110 Cb -0.57 -1.20 0.17 0.00 -1.15 0.00 0.00 33.47 30.72 2aeq s TRP 110 CO 0.49 0.49 1.27 0.20 0.02 0.00 0.00 176.95 179.42 2aeq s GLY 111 N -2.66 1.75 0.11 0.98 0.00 -0.58 -4.79 107.32 102.12 2aeq s GLY 111 Ca 0.22 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 2aeq s GLY 111 CO 0.11 -0.44 1.45 1.46 0.00 0.00 0.00 173.10 175.68 2aeq h GLN 112 N -1.44 0.75 0.00 2.90 4.20 -1.93 -3.46 115.11 116.13 2aeq h GLN 112 Ca -0.44 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 57.90 2aeq h GLN 112 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2aeq h GLN 112 CO 0.43 0.99 0.00 0.41 -0.67 0.00 0.00 178.83 180.00 2aeq n GLY 113 N 0.09 2.54 3.02 3.46 0.00 -1.26 -5.01 105.19 108.04 2aeq n GLY 113 Ca -0.03 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 2aeq n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aeq s THR 114 N -2.67 0.71 -0.04 2.61 -4.23 -0.79 -4.84 115.64 106.38 2aeq s THR 114 Ca 0.00 -0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2aeq s THR 114 Cb 0.00 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2aeq s THR 114 CO 0.00 0.18 0.23 -0.89 -0.54 0.00 0.00 174.62 173.60 2aeq s THR 115 N -0.24 5.36 0.00 3.99 2.01 -1.26 -0.78 115.64 124.72 2aeq s THR 115 Ca 0.03 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2aeq s THR 115 Cb -0.04 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2aeq s THR 115 CO -0.00 0.47 0.11 -0.11 -0.69 0.00 0.00 174.62 174.40