#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frq s LEU 1 N 0.00 2.50 0.65 1.39 1.43 -1.26 -5.11 118.68 118.27 2frq s LEU 1 Ca 0.00 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 2frq s LEU 1 Cb 0.00 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2frq s LEU 1 CO 0.00 0.12 1.25 -2.84 0.23 0.00 0.00 176.35 175.11 2frq s PRO 2 N -2.66 2.61 0.32 1.29 0.02 -1.26 -4.90 135.00 130.42 2frq s PRO 2 Ca 0.21 1.92 0.13 0.00 0.02 0.00 0.00 61.00 63.28 2frq s PRO 2 Cb -0.08 -1.87 0.52 0.00 0.02 0.00 0.00 34.50 33.09 2frq s PRO 2 CO 0.10 -1.51 1.69 -0.44 -0.33 0.00 0.00 177.00 176.52 2frq h ASP 3 N 0.50 0.00 -4.60 2.53 3.45 -1.99 -3.45 116.42 112.86 2frq h ASP 3 Ca -0.50 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 56.79 2frq h ASP 3 Cb 1.32 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.86 2frq h ASP 3 CO 0.53 0.51 -0.58 -0.44 -1.57 0.00 0.00 179.24 177.69 2frq s SER 4 N -6.78 0.04 -0.05 6.45 0.01 -1.26 -4.44 113.70 107.67 2frq s SER 4 Ca -0.01 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 2frq s SER 4 Cb 0.13 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.55 2frq s SER 4 CO 0.74 -0.25 0.13 -0.69 0.41 0.00 0.00 173.24 173.58 2frq s VAL 5 N -0.95 0.00 -0.28 3.43 1.01 -0.11 -4.96 120.40 118.55 2frq s VAL 5 Ca -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2frq s VAL 5 Cb -0.06 -0.20 0.12 0.00 0.00 0.00 0.00 36.38 36.24 2frq s VAL 5 CO 0.00 -0.02 0.26 -0.62 0.00 0.00 0.00 175.10 174.72 2frq s ASP 6 N -0.00 1.92 0.32 3.32 -1.08 -1.26 -0.66 116.67 119.23 2frq s ASP 6 Ca -0.01 -0.75 0.23 0.00 -0.52 0.00 0.00 52.55 51.51 2frq s ASP 6 Cb -0.01 0.36 1.17 0.00 -1.46 0.00 0.00 42.92 42.98 2frq s ASP 6 CO 0.00 -0.39 1.71 -0.50 0.52 0.00 0.00 175.17 176.52 2frq h TRP 7 N 8.29 0.00 0.00 -5.34 4.06 -1.48 -1.61 115.95 119.87 2frq h TRP 7 Ca -0.15 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.72 2frq h TRP 7 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 2frq h TRP 7 CO 0.26 0.00 -0.36 0.00 -3.56 0.00 0.00 178.44 174.77 2frq h ARG 8 N 0.00 0.00 0.00 0.49 3.08 -1.94 -1.82 114.38 114.19 2frq h ARG 8 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2frq h ARG 8 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2frq h ARG 8 CO 0.00 0.36 -0.02 0.93 -1.07 0.00 0.00 179.97 180.17 2frq h GLU 9 N 0.00 0.00 -0.51 0.04 5.08 -1.69 -2.63 114.58 114.86 2frq h GLU 9 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2frq h GLU 9 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2frq h GLU 9 CO 0.05 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 2frq n LYS 10 N -3.13 2.44 -1.98 2.33 5.02 -0.70 -4.95 118.16 117.19 2frq n LYS 10 Ca 0.00 -2.21 -0.14 0.00 -2.02 0.00 0.00 58.31 53.94 2frq n LYS 10 Cb 0.31 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 2frq n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2frq n GLY 11 N 1.49 0.36 1.02 0.72 0.00 -0.99 -4.92 105.19 102.86 2frq n GLY 11 Ca 0.20 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2frq n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frq s VAL 13 N -1.35 1.26 0.93 0.00 1.01 -1.26 -3.71 120.40 117.28 2frq s VAL 13 Ca 0.37 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 2frq s VAL 13 Cb 0.22 -1.18 0.19 0.00 0.00 0.00 0.00 36.38 35.61 2frq s VAL 13 CO 0.21 0.39 1.29 0.42 0.00 0.00 0.00 175.10 177.41 2frq s THR 14 N 1.05 2.01 0.70 3.92 -4.23 -1.26 -4.98 115.64 112.85 2frq s THR 14 Ca -0.07 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 2frq s THR 14 Cb -0.15 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.76 2frq s THR 14 CO -0.01 0.00 1.27 -1.61 -0.54 0.00 0.00 174.62 173.73 2frq s GLU 15 N -5.81 2.25 0.24 3.99 2.02 -1.26 -4.94 118.70 115.20 2frq s GLU 15 Ca 0.73 1.98 -0.30 0.00 0.02 0.00 0.00 54.97 57.40 2frq s GLU 15 Cb -0.04 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.28 2frq s GLU 15 CO 0.52 -1.81 1.25 0.08 0.02 0.00 0.00 175.26 175.33 2frq s VAL 16 N -1.61 3.22 0.35 2.63 1.01 -1.26 -5.03 120.40 119.70 2frq s VAL 16 Ca 0.80 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.93 2frq s VAL 16 Cb -0.35 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2frq s VAL 16 CO 0.43 0.20 0.42 -0.54 0.00 0.00 0.00 175.10 175.61 2frq s LYS 17 N -0.69 2.95 -0.26 2.72 -0.14 -1.26 -4.70 119.74 118.35 2frq s LYS 17 Ca 0.52 -1.14 0.02 0.00 -1.36 0.00 0.00 55.97 54.01 2frq s LYS 17 Cb -0.36 -2.69 0.07 0.00 -1.68 0.00 0.00 37.83 33.17 2frq s LYS 17 CO 0.41 0.03 -0.05 -0.47 -0.76 0.00 0.00 175.35 174.51 2frq s TYR 18 N -2.24 2.74 -0.03 3.18 6.14 -1.26 -1.16 117.35 124.72 2frq s TYR 18 Ca 0.45 -2.05 0.29 0.00 0.64 0.00 0.00 57.07 56.40 2frq s TYR 18 Cb -0.08 -1.83 1.01 0.00 0.42 0.00 0.00 41.96 41.48 2frq s TYR 18 CO 0.30 -0.83 1.85 -0.56 0.64 0.00 0.00 175.55 176.95 2frq h GLN 19 N 7.87 0.00 0.00 4.97 3.07 -1.46 -3.47 115.11 126.09 2frq h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2frq h GLN 19 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 2frq h GLN 19 CO 0.44 0.05 0.00 0.41 0.09 0.00 0.00 178.83 179.82 2frq n GLY 20 N 0.34 1.58 0.09 0.06 0.00 -1.26 -2.91 105.19 103.08 2frq n GLY 20 Ca 0.01 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.48 2frq n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2frq n SER 21 N 0.57 0.25 -4.68 1.61 3.41 -1.26 -4.77 113.62 108.75 2frq n SER 21 Ca 0.00 -1.59 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 2frq n SER 21 Cb 0.00 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 2frq n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2frq n GLY 23 N 4.01 3.71 1.55 0.00 0.00 -0.27 -4.58 105.19 109.60 2frq n GLY 23 Ca -0.15 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.50 2frq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frq n ALA 24 N 5.90 3.81 -0.33 4.61 0.00 -1.26 -3.18 120.51 130.06 2frq n ALA 24 Ca 0.55 -2.25 0.13 0.00 0.00 0.00 0.00 53.44 51.87 2frq n ALA 24 Cb 0.34 -1.00 0.31 0.00 0.00 0.00 0.00 19.45 19.10 2frq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2frq h TRP 26 N 0.62 1.14 -0.32 0.00 5.08 -1.83 -0.13 115.95 120.51 2frq h TRP 26 Ca 0.57 -0.06 -0.13 0.00 1.08 0.00 0.00 58.89 60.35 2frq h TRP 26 Cb 0.96 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 26.76 2frq h TRP 26 CO -0.05 0.84 -0.29 0.00 -1.28 0.00 0.00 178.44 177.66 2frq h ALA 27 N 1.27 0.47 -0.47 0.11 0.00 -1.41 -1.95 119.26 117.28 2frq h ALA 27 Ca 0.27 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2frq h ALA 27 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2frq h ALA 27 CO -0.03 0.50 -0.14 0.74 0.00 0.00 0.00 179.25 180.31 2frq h PHE 28 N 0.54 1.00 -0.34 0.00 -1.00 -1.07 -1.55 116.94 114.51 2frq h PHE 28 Ca 0.06 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 2frq h PHE 28 Cb 0.87 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2frq h PHE 28 CO 0.07 0.97 0.18 1.03 -1.61 0.00 0.00 178.31 178.95 2frq h SER 29 N 0.79 0.44 -0.10 2.17 0.87 -0.97 -1.22 113.55 115.53 2frq h SER 29 Ca 0.12 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2frq h SER 29 Cb 0.67 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2frq h SER 29 CO 0.05 0.41 0.05 0.00 -0.53 0.00 0.00 176.83 176.81 2frq h ALA 30 N 1.04 0.13 -0.54 6.23 0.00 -1.18 -2.19 119.26 122.76 2frq h ALA 30 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2frq h ALA 30 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2frq h ALA 30 CO -0.02 -0.31 0.10 -0.39 0.00 0.00 0.00 179.25 178.63 2frq h VAL 31 N 0.04 1.23 -0.71 0.00 -1.51 -1.24 -2.17 116.25 111.90 2frq h VAL 31 Ca 0.03 -0.88 0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2frq h VAL 31 Cb 0.12 0.71 -0.04 0.00 -2.13 0.00 0.00 31.29 29.95 2frq h VAL 31 CO -0.00 0.32 0.47 1.23 -1.23 0.00 0.00 177.57 178.36 2frq h GLY 32 N 0.98 1.00 1.01 5.19 0.00 -1.01 0.27 103.07 110.51 2frq h GLY 32 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2frq h GLY 32 CO 0.00 0.36 0.10 0.00 0.00 0.00 0.00 176.54 177.00 2frq h ALA 33 N 1.26 0.74 -0.06 3.60 0.00 -1.09 -2.95 119.26 120.77 2frq h ALA 33 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2frq h ALA 33 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2frq h ALA 33 CO -0.06 0.48 -0.57 1.25 0.00 0.00 0.00 179.25 180.36 2frq h LEU 34 N 0.82 0.20 -1.02 0.00 5.85 -0.88 -3.04 115.31 117.24 2frq h LEU 34 Ca 0.17 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2frq h LEU 34 Cb 0.40 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2frq h LEU 34 CO 0.01 0.72 0.65 -0.33 -0.34 0.00 0.00 178.44 179.15 2frq h GLU 35 N 0.14 1.15 -0.40 1.25 5.08 -0.31 0.31 114.58 121.80 2frq h GLU 35 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2frq h GLU 35 Cb 1.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2frq h GLU 35 CO 0.08 0.76 0.02 0.00 -1.00 0.00 0.00 179.01 178.87 2frq h ALA 36 N 1.45 0.53 -0.32 3.43 0.00 -1.44 -1.83 119.26 121.09 2frq h ALA 36 Ca 0.42 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2frq h ALA 36 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2frq h ALA 36 CO -0.16 0.30 -0.09 1.96 0.00 0.00 0.00 179.25 181.26 2frq h GLN 37 N 0.52 0.53 -0.57 0.00 1.08 -1.31 -1.39 115.11 113.98 2frq h GLN 37 Ca 0.11 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2frq h GLN 37 Cb 0.45 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 2frq h GLN 37 CO 0.02 0.62 0.12 1.25 -0.95 0.00 0.00 178.83 179.90 2frq h LEU 38 N 0.50 0.88 -0.45 1.46 5.85 -0.72 -1.33 115.31 121.50 2frq h LEU 38 Ca 0.10 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2frq h LEU 38 Cb 0.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2frq h LEU 38 CO 0.02 0.89 0.15 0.50 -0.34 0.00 0.00 178.44 179.66 2frq h LYS 39 N 0.82 0.69 -0.15 1.25 1.63 -0.92 0.10 116.57 119.99 2frq h LYS 39 Ca 0.18 -0.15 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 2frq h LYS 39 Cb 0.37 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2frq h LYS 39 CO 0.00 0.66 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.50 2frq h LEU 40 N 0.58 0.21 0.17 5.20 3.38 -1.04 0.26 115.31 124.08 2frq h LEU 40 Ca 0.15 -0.04 -0.34 0.00 0.09 0.00 0.00 57.88 57.73 2frq h LEU 40 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2frq h LEU 40 CO -0.01 0.34 -1.75 0.11 0.09 0.00 0.00 178.44 177.23 2frq h LYS 41 N 0.22 0.36 0.00 1.13 1.57 -0.93 -3.41 116.57 115.51 2frq h LYS 41 Ca 0.05 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2frq h LYS 41 Cb 0.32 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2frq h LYS 41 CO 0.02 1.29 -0.99 0.25 -0.57 0.00 0.00 179.45 179.45 2frq n THR 42 N -3.62 0.00 -0.70 -0.16 -2.24 0.32 -4.99 114.28 102.88 2frq n THR 42 Ca -0.26 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2frq n THR 42 Cb 1.05 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2frq n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2frq n GLY 43 N 1.56 0.82 3.55 3.38 0.00 0.91 -5.03 105.19 110.38 2frq n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2frq n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2frq s LYS 44 N -0.30 3.24 -0.37 1.61 1.02 -1.26 -4.99 119.74 118.69 2frq s LYS 44 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 2frq s LYS 44 Cb 0.00 -2.77 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2frq s LYS 44 CO 0.00 0.46 0.27 -1.17 -0.92 0.00 0.00 175.35 173.98 2frq s LEU 45 N -0.23 4.78 -0.05 3.17 2.96 -1.26 -3.33 118.68 124.72 2frq s LEU 45 Ca 0.04 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2frq s LEU 45 Cb -0.13 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.43 2frq s LEU 45 CO 0.02 -0.33 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 2frq s VAL 46 N 1.71 0.53 0.12 1.68 1.01 -1.26 -5.09 120.40 119.10 2frq s VAL 46 Ca 0.06 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 2frq s VAL 46 Cb -0.18 -0.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 2frq s VAL 46 CO 0.10 0.23 1.36 -0.44 0.00 0.00 0.00 175.10 176.36 2frq s SER 47 N 1.07 6.85 0.23 3.32 0.01 -1.26 -4.82 113.70 119.11 2frq s SER 47 Ca -0.09 2.30 0.02 0.00 1.31 0.00 0.00 55.95 59.50 2frq s SER 47 Cb -0.14 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2frq s SER 47 CO -0.01 -0.62 0.40 -0.76 0.41 0.00 0.00 173.24 172.66 2frq s LEU 48 N 0.98 4.23 -0.65 2.44 1.43 -1.26 -1.21 118.68 124.63 2frq s LEU 48 Ca 0.63 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.75 2frq s LEU 48 Cb -0.36 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2frq s LEU 48 CO 0.31 -0.09 1.73 -0.55 0.23 0.00 0.00 176.35 177.99 2frq s SER 49 N -3.59 5.47 0.33 2.29 0.15 -0.44 -4.22 113.70 113.69 2frq s SER 49 Ca 0.37 0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.22 2frq s SER 49 Cb -0.10 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.24 2frq s SER 49 CO 0.30 -2.27 1.77 0.00 1.20 0.00 0.00 173.24 174.24 2frq h ALA 50 N 13.74 1.24 -0.62 5.45 0.00 -1.87 -2.57 119.26 134.63 2frq h ALA 50 Ca -0.25 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2frq h ALA 50 Cb 1.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2frq h ALA 50 CO 1.23 0.52 0.22 0.37 0.00 0.00 0.00 179.25 181.60 2frq h GLN 51 N 0.18 0.91 -0.70 0.00 5.75 -1.86 -1.35 115.11 118.04 2frq h GLN 51 Ca 0.02 -0.16 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 2frq h GLN 51 Cb 0.69 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.03 2frq h GLN 51 CO 0.05 0.76 0.37 -0.97 -2.65 0.00 0.00 178.83 176.39 2frq h ASN 52 N 0.89 0.51 -0.19 -0.69 -0.00 -1.71 0.10 115.58 114.50 2frq h ASN 52 Ca 0.21 0.05 -0.07 0.00 -0.00 0.00 0.00 56.30 56.49 2frq h ASN 52 Cb 0.21 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 38.48 2frq h ASN 52 CO -0.01 0.31 -0.14 -0.07 -0.00 0.00 0.00 177.43 177.52 2frq h LEU 53 N 0.65 0.45 -0.64 0.34 3.38 -1.33 -0.60 115.31 117.56 2frq h LEU 53 Ca 0.33 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2frq h LEU 53 Cb 0.29 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2frq h LEU 53 CO -0.23 0.80 0.34 0.58 0.09 0.00 0.00 178.44 180.02 2frq h VAL 54 N 0.10 0.95 0.00 1.22 2.07 -0.65 0.14 116.25 120.08 2frq h VAL 54 Ca 0.04 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 2frq h VAL 54 Cb 0.66 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2frq h VAL 54 CO 0.04 0.12 -1.02 0.44 0.02 0.00 0.00 177.57 177.16 2frq h ASP 55 N 0.63 0.00 0.00 0.57 3.32 -0.81 -3.40 116.42 116.74 2frq h ASP 55 Ca 0.29 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 2frq h ASP 55 Cb 0.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2frq h ASP 55 CO -0.19 0.93 -1.64 0.00 -1.72 0.00 0.00 179.24 176.62 2frq n SER 57 N -2.40 5.26 0.00 0.00 2.88 0.03 -4.88 113.62 114.51 2frq n SER 57 Ca -0.16 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 2frq n SER 57 Cb 0.79 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2frq n SER 57 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2frq n THR 57 N 3.82 0.00 -0.28 2.46 -2.24 -1.26 -4.52 114.28 112.25 2frq n THR 57 Ca 0.36 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.25 2frq n THR 57 Cb 0.39 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.87 2frq n THR 57 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2frq h GLU 57 N 0.00 0.26 0.00 -0.78 3.07 -1.89 0.88 114.58 116.12 2frq h GLU 57 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2frq h GLU 57 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 2frq h GLU 57 CO 0.00 0.17 0.00 0.87 -1.40 0.00 0.00 179.01 178.65 2frq h LYS 57 N 0.26 0.00 -0.34 2.33 1.57 -1.93 -1.34 116.57 117.13 2frq h LYS 57 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2frq h LYS 57 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2frq h LYS 57 CO -0.58 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.96 2frq n TYR 58 N -2.87 0.74 -1.26 -1.35 4.02 0.24 -4.96 117.16 111.73 2frq n TYR 58 Ca -0.02 -0.65 -0.09 0.00 -0.01 0.00 0.00 57.90 57.13 2frq n TYR 58 Cb 0.10 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.23 2frq n TYR 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2frq n GLY 59 N 0.18 0.99 3.94 2.72 0.00 -0.50 -4.82 105.19 107.70 2frq n GLY 59 Ca 0.17 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2frq n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2frq s ASN 60 N -2.55 6.34 -0.19 1.61 0.02 -0.80 -4.79 114.94 114.58 2frq s ASN 60 Ca 0.00 0.19 0.14 0.00 -1.02 0.00 0.00 52.86 52.17 2frq s ASN 60 Cb 0.00 -1.92 0.44 0.00 0.02 0.00 0.00 41.25 39.79 2frq s ASN 60 CO 0.00 0.06 1.19 0.29 0.02 0.00 0.00 177.10 178.66 2frq n LYS 61 N -0.48 1.69 0.00 -0.60 5.02 0.10 -3.36 118.16 120.53 2frq n LYS 61 Ca -0.07 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 2frq n LYS 61 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2frq n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2frq n GLY 62 N -0.65 3.84 0.00 0.72 0.00 -1.23 -1.09 105.19 106.78 2frq n GLY 62 Ca 0.20 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.46 2frq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2frq n ASN 64 N -1.07 4.20 0.00 0.00 3.02 -0.25 -1.12 115.26 120.05 2frq n ASN 64 Ca 0.10 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2frq n ASN 64 Cb 0.07 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2frq n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2frq n GLY 65 N 0.20 2.74 0.89 7.41 0.00 -0.87 -4.78 105.19 110.77 2frq n GLY 65 Ca 0.22 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.29 2frq n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2frq n GLY 66 N 0.44 0.60 3.37 -0.02 0.00 -1.26 0.03 105.19 108.34 2frq n GLY 66 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 2frq n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2frq s PHE 67 N -3.05 2.40 0.14 1.61 0.40 -1.26 -4.75 117.98 113.47 2frq s PHE 67 Ca 0.07 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 2frq s PHE 67 Cb -0.00 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 2frq s PHE 67 CO -0.00 0.12 1.43 0.52 0.70 0.00 0.00 175.22 177.99 2frq h MET 68 N 4.95 0.81 -0.37 0.44 2.86 -1.98 -2.43 114.93 119.21 2frq h MET 68 Ca -0.46 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 56.67 2frq h MET 68 Cb 1.14 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 2frq h MET 68 CO 0.46 1.14 0.23 1.79 1.06 0.00 0.00 176.91 181.58 2frq h THR 69 N 0.62 1.12 0.00 2.22 1.35 -1.95 -0.56 112.91 115.71 2frq h THR 69 Ca 0.02 -0.27 -0.06 0.00 -0.55 0.00 0.00 66.41 65.55 2frq h THR 69 Cb 1.13 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2frq h THR 69 CO 0.12 0.12 -0.27 0.71 -0.25 0.00 0.00 175.52 175.94 2frq h THR 70 N 0.49 0.65 -0.34 6.82 1.35 -1.87 -2.01 112.91 118.00 2frq h THR 70 Ca 0.13 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 64.63 2frq h THR 70 Cb -0.01 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2frq h THR 70 CO -0.03 0.27 -0.11 0.00 -0.25 0.00 0.00 175.52 175.40 2frq h ALA 74 N 1.73 0.47 -0.64 6.62 0.00 -0.90 -1.38 119.26 125.15 2frq h ALA 74 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2frq h ALA 74 Cb 0.82 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2frq h ALA 74 CO 0.04 0.34 0.40 0.74 0.00 0.00 0.00 179.25 180.76 2frq h PHE 75 N 0.45 0.83 -0.52 0.00 0.04 -0.66 -2.10 116.94 114.97 2frq h PHE 75 Ca 0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 2frq h PHE 75 Cb 0.63 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 2frq h PHE 75 CO 0.05 0.55 0.19 0.37 -0.60 0.00 0.00 178.31 178.88 2frq h GLN 76 N 0.86 0.76 -0.36 1.51 5.75 -1.18 -1.47 115.11 120.98 2frq h GLN 76 Ca 0.23 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2frq h GLN 76 Cb -0.05 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 2frq h GLN 76 CO -0.05 0.64 0.22 -0.92 -2.65 0.00 0.00 178.83 176.07 2frq h TYR 77 N 0.75 0.48 -0.95 3.99 3.20 -0.70 0.22 116.97 123.95 2frq h TYR 77 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2frq h TYR 77 Cb 0.17 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 2frq h TYR 77 CO 0.01 0.34 0.63 0.82 -1.64 0.00 0.00 178.16 178.32 2frq h ILE 78 N 0.48 1.19 0.27 1.81 2.04 -0.72 0.43 117.51 123.00 2frq h ILE 78 Ca 0.13 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2frq h ILE 78 Cb 0.00 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 35.93 2frq h ILE 78 CO -0.02 0.22 -0.13 0.40 0.00 0.00 0.00 178.15 178.62 2frq h ILE 79 N 1.23 0.78 -0.82 -0.67 2.04 -0.70 -1.47 117.51 117.90 2frq h ILE 79 Ca 0.37 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2frq h ILE 79 Cb -0.05 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2frq h ILE 79 CO -0.10 0.10 0.52 0.44 0.00 0.00 0.00 178.15 179.11 2frq h ASP 80 N -0.62 0.86 0.97 1.72 3.45 -0.17 -2.25 116.42 120.39 2frq h ASP 80 Ca -0.04 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2frq h ASP 80 Cb 0.44 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2frq h ASP 80 CO 0.06 0.59 0.00 -3.20 -1.57 0.00 0.00 179.24 175.12 2frq n ASN 81 N -4.58 0.38 -1.88 6.45 5.15 0.15 -4.91 115.26 116.01 2frq n ASN 81 Ca 0.10 0.56 -0.16 0.00 -0.60 0.00 0.00 54.58 54.47 2frq n ASN 81 Cb 0.09 -0.65 -0.01 0.00 -0.53 0.00 0.00 39.78 38.68 2frq n ASN 81 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2frq n LYS 82 N -1.88 -1.38 0.00 1.20 5.02 -0.63 -4.92 118.16 115.57 2frq n LYS 82 Ca 0.05 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2frq n LYS 82 Cb 0.31 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 2frq n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2frq n GLY 83 N -1.03 2.86 3.00 0.72 0.00 -0.77 -4.89 105.19 105.08 2frq n GLY 83 Ca -0.19 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2frq n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2frq s ILE 84 N -2.00 -0.00 0.74 -0.61 2.07 -0.72 -4.71 121.20 115.95 2frq s ILE 84 Ca 0.00 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 2frq s ILE 84 Cb 0.00 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.43 2frq s ILE 84 CO 0.00 0.01 1.10 -1.81 -1.91 0.00 0.00 174.94 172.32 2frq s ASP 85 N 0.15 5.13 0.56 4.50 1.01 -1.26 -1.05 116.67 125.72 2frq s ASP 85 Ca -0.01 1.19 -0.16 0.00 0.71 0.00 0.00 52.55 54.28 2frq s ASP 85 Cb -0.02 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 41.90 2frq s ASP 85 CO -0.00 -1.55 1.03 -0.94 0.21 0.00 0.00 175.17 173.92 2frq s SER 86 N -4.21 6.09 0.30 0.27 1.04 -1.02 -1.33 113.70 114.85 2frq s SER 86 Ca 0.59 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.76 2frq s SER 86 Cb -0.12 -2.52 0.49 0.00 0.10 0.00 0.00 66.02 63.96 2frq s SER 86 CO 0.53 -0.95 1.86 -0.78 0.98 0.00 0.00 173.24 174.88 2frq h ASP 87 N 0.62 0.69 -0.85 7.02 3.58 -1.33 -1.72 116.42 124.42 2frq h ASP 87 Ca -0.47 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 56.90 2frq h ASP 87 Cb 1.21 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 42.03 2frq h ASP 87 CO 0.59 0.67 0.55 0.00 -2.88 0.00 0.00 179.24 178.18 2frq h ALA 88 N 1.42 1.12 0.00 -0.78 0.00 -1.92 -1.52 119.26 117.58 2frq h ALA 88 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2frq h ALA 88 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2frq h ALA 88 CO -0.00 0.41 -0.53 0.66 0.00 0.00 0.00 179.25 179.78 2frq h SER 89 N 1.09 0.00 -2.21 0.00 4.64 -1.85 -3.39 113.55 111.83 2frq h SER 89 Ca 0.33 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.08 2frq h SER 89 Cb -0.03 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.67 2frq h SER 89 CO -0.11 0.20 -0.99 0.00 -0.87 0.00 0.00 176.83 175.06 2frq n TYR 90 N -3.01 -0.07 -1.40 4.77 4.19 -0.67 -5.00 117.16 115.97 2frq n TYR 90 Ca 0.01 -3.55 -0.34 0.00 3.31 0.00 0.00 57.90 57.33 2frq n TYR 90 Cb 0.63 -0.16 0.10 0.00 0.49 0.00 0.00 39.34 40.40 2frq n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2frq s PRO 91 N -0.85 2.10 -0.06 2.98 0.04 -0.60 -4.54 135.00 134.07 2frq s PRO 91 Ca 0.34 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2frq s PRO 91 Cb 0.11 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2frq s PRO 91 CO -0.14 -1.86 1.00 -0.47 0.04 0.00 0.00 177.00 175.57 2frq s TYR 92 N -2.06 3.57 -0.76 0.56 5.04 -1.26 -4.76 117.35 117.67 2frq s TYR 92 Ca 0.73 1.63 0.06 0.00 -2.44 0.00 0.00 57.07 57.06 2frq s TYR 92 Cb -0.28 -3.16 0.06 0.00 0.35 0.00 0.00 41.96 38.93 2frq s TYR 92 CO 0.46 -0.15 0.74 1.63 -1.34 0.00 0.00 175.55 176.89 2frq n LYS 93 N 4.59 0.14 -3.75 4.97 4.76 -1.26 -5.02 118.16 122.59 2frq n LYS 93 Ca 0.08 -0.95 -0.26 0.00 -2.87 0.00 0.00 58.31 54.30 2frq n LYS 93 Cb 0.50 -1.12 0.05 0.00 -1.84 0.00 0.00 35.03 32.61 2frq n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2frq n ALA 94 N 0.33 -1.45 -3.46 7.82 0.00 -1.26 -4.97 120.51 117.51 2frq n ALA 94 Ca 0.04 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.57 2frq n ALA 94 Cb 0.17 -4.33 -0.02 0.00 0.00 0.00 0.00 19.45 15.27 2frq n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2frq s MET 95 N -6.34 1.06 0.08 0.00 0.23 -1.26 -4.37 119.30 108.71 2frq s MET 95 Ca 0.50 -0.37 -0.30 0.00 -1.03 0.00 0.00 55.69 54.49 2frq s MET 95 Cb -0.24 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.50 2frq s MET 95 CO 0.79 -0.46 1.10 -0.51 -2.03 0.00 0.00 175.02 173.90 2frq s ASP 96 N -2.57 7.23 0.16 -1.18 1.11 -1.26 -4.92 116.67 115.24 2frq s ASP 96 Ca 0.02 1.92 0.02 0.00 0.18 0.00 0.00 52.55 54.69 2frq s ASP 96 Cb -0.01 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2frq s ASP 96 CO -0.11 -0.32 -0.01 -1.10 1.18 0.00 0.00 175.17 174.81 2frq s GLN 97 N 0.63 1.06 0.43 8.23 -0.21 -1.26 -5.10 119.66 123.44 2frq s GLN 97 Ca 0.54 -1.49 -0.25 0.00 0.02 0.00 0.00 55.36 54.18 2frq s GLN 97 Cb -0.27 -0.27 -0.08 0.00 1.00 0.00 0.00 33.01 33.40 2frq s GLN 97 CO 0.30 -0.10 1.25 -1.59 -2.12 0.00 0.00 175.29 173.03 2frq s LYS 98 N -3.89 3.86 0.13 2.91 0.00 -1.26 -4.54 119.74 116.95 2frq s LYS 98 Ca 0.21 2.01 -0.32 0.00 0.00 0.00 0.00 55.97 57.87 2frq s LYS 98 Cb 0.06 -2.61 -0.11 0.00 0.00 0.00 0.00 37.83 35.16 2frq s LYS 98 CO 0.02 -0.53 1.81 0.00 0.00 0.00 0.00 175.35 176.64 2frq n GLN 100 N 5.26 1.28 -1.77 0.00 6.02 -1.26 -5.03 117.38 121.89 2frq n GLN 100 Ca 0.18 -2.83 -0.41 0.00 -0.01 0.00 0.00 57.00 53.93 2frq n GLN 100 Cb 0.36 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2frq n GLN 100 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2frq n TYR 101 N -1.07 2.91 -3.72 1.08 9.36 -1.26 -5.01 117.16 119.44 2frq n TYR 101 Ca 0.16 0.45 -0.15 0.00 3.32 0.00 0.00 57.90 61.68 2frq n TYR 101 Cb 0.70 -2.52 -0.15 0.00 -0.63 0.00 0.00 39.34 36.75 2frq n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2frq s ASP 102 N -0.19 0.21 0.64 2.98 -1.08 -1.26 -5.03 116.67 112.95 2frq s ASP 102 Ca 0.54 0.30 0.42 0.00 -0.52 0.00 0.00 52.55 53.29 2frq s ASP 102 Cb -0.48 0.20 2.19 0.00 -1.46 0.00 0.00 42.92 43.38 2frq s ASP 102 CO 0.63 -0.18 2.29 0.77 0.52 0.00 0.00 175.17 179.20 2frq h SER 103 N 7.65 0.00 0.60 -0.34 4.64 -1.98 -1.64 113.55 122.48 2frq h SER 103 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2frq h SER 103 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2frq h SER 103 CO 0.32 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.58 2frq n LYS 104 N -3.14 0.07 -0.21 4.77 2.85 -1.26 -2.01 118.16 119.24 2frq n LYS 104 Ca -0.02 0.31 0.06 0.00 -1.05 0.00 0.00 58.31 57.60 2frq n LYS 104 Cb 0.12 -1.63 0.16 0.00 -0.65 0.00 0.00 35.03 33.02 2frq n LYS 104 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2frq n TYR 105 N -1.77 0.49 -1.69 5.58 0.53 -0.62 -5.03 117.16 114.66 2frq n TYR 105 Ca 0.03 -0.60 -0.45 0.00 -1.02 0.00 0.00 57.90 55.87 2frq n TYR 105 Cb 0.20 -0.09 -0.04 0.00 -1.03 0.00 0.00 39.34 38.38 2frq n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2frq n ARG 106 N 0.10 2.31 0.00 -0.72 0.63 -0.85 -2.43 116.66 115.70 2frq n ARG 106 Ca 0.12 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2frq n ARG 106 Cb 0.51 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.82 2frq n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2frq n ALA 107 N 3.22 1.92 -3.51 5.13 0.00 -0.21 -4.81 120.51 122.26 2frq n ALA 107 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2frq n ALA 107 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 2frq n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2frq s ALA 108 N -1.49 -1.57 0.29 0.00 0.00 -1.14 -4.99 121.76 112.87 2frq s ALA 108 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2frq s ALA 108 Cb 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 2frq s ALA 108 CO 0.00 -0.81 0.08 0.95 0.00 0.00 0.00 175.76 175.98 2frq s THR 109 N -3.70 0.87 -0.04 0.00 -4.23 -1.26 -1.76 115.64 105.52 2frq s THR 109 Ca 0.03 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2frq s THR 109 Cb -0.02 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.13 2frq s THR 109 CO -0.09 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.07 2frq n SER 111 N 3.56 0.70 -3.69 0.00 3.41 -0.13 -4.27 113.62 113.20 2frq n SER 111 Ca -0.19 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.46 2frq n SER 111 Cb 0.56 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 66.13 2frq n SER 111 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2frq s LYS 112 N -3.08 0.08 0.07 4.33 -2.85 -1.23 -5.03 119.74 112.03 2frq s LYS 112 Ca -0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 55.97 54.80 2frq s LYS 112 Cb 0.10 0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 2frq s LYS 112 CO 0.76 -0.04 0.10 1.52 0.10 0.00 0.00 175.35 177.80 2frq s TYR 113 N -2.05 0.30 -0.05 1.78 -0.85 -1.26 -1.12 117.35 114.10 2frq s TYR 113 Ca 0.20 -0.77 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 2frq s TYR 113 Cb 0.05 -0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.20 2frq s TYR 113 CO -0.05 -0.47 -0.14 0.99 -1.52 0.00 0.00 175.55 174.36 2frq s THR 114 N -3.84 1.20 -0.24 -3.49 2.01 0.03 -4.98 115.64 106.33 2frq s THR 114 Ca 0.05 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2frq s THR 114 Cb 0.06 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2frq s THR 114 CO -0.10 0.36 0.09 -1.61 -0.69 0.00 0.00 174.62 172.66 2frq s GLU 115 N 0.36 3.76 0.61 4.92 2.02 -1.26 -1.62 118.70 127.48 2frq s GLU 115 Ca -0.09 -0.43 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 2frq s GLU 115 Cb -0.13 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 2frq s GLU 115 CO 0.03 -0.11 1.05 -0.51 0.02 0.00 0.00 175.26 175.74 2frq s LEU 116 N 1.43 3.44 0.39 1.80 1.02 -0.14 -4.99 118.68 121.63 2frq s LEU 116 Ca 0.06 1.78 -0.27 0.00 0.02 0.00 0.00 54.13 55.71 2frq s LEU 116 Cb -0.15 -4.53 -0.10 0.00 0.02 0.00 0.00 46.19 41.43 2frq s LEU 116 CO 0.04 -1.19 1.44 -2.16 0.02 0.00 0.00 176.35 174.51 2frq s PRO 117 N -4.23 4.02 0.02 1.29 0.04 -1.26 -4.57 135.00 130.32 2frq s PRO 117 Ca 0.63 2.47 -0.35 0.00 0.04 0.00 0.00 61.00 63.79 2frq s PRO 117 Cb -0.15 -2.89 -0.14 0.00 0.04 0.00 0.00 34.50 31.36 2frq s PRO 117 CO 0.40 -0.56 1.68 0.98 0.04 0.00 0.00 177.00 179.53 2frq n TYR 118 N 0.32 2.19 -1.05 0.56 9.36 -1.26 -3.23 117.16 124.03 2frq n TYR 118 Ca 0.02 0.23 -0.02 0.00 3.32 0.00 0.00 57.90 61.46 2frq n TYR 118 Cb 0.40 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.55 2frq n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2frq n GLY 119 N 3.75 0.33 3.41 2.98 0.00 0.08 -4.97 105.19 110.77 2frq n GLY 119 Ca 0.20 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 2frq n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2frq s ARG 120 N -1.55 3.23 0.41 1.61 1.81 -1.20 -4.79 118.95 118.47 2frq s ARG 120 Ca 0.00 -1.37 0.19 0.00 -1.72 0.00 0.00 55.73 52.84 2frq s ARG 120 Cb 0.00 -4.42 0.89 0.00 -0.45 0.00 0.00 34.95 30.97 2frq s ARG 120 CO 0.00 -1.66 1.84 0.93 -0.68 0.00 0.00 175.30 175.74 2frq h GLU 121 N 9.11 0.00 -0.30 3.54 5.08 -1.92 -2.16 114.58 127.94 2frq h GLU 121 Ca -0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2frq h GLU 121 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2frq h GLU 121 CO 1.10 0.31 -0.41 0.38 -1.00 0.00 0.00 179.01 179.39 2frq h ASP 122 N 0.00 0.80 0.07 1.42 -0.00 -1.99 -0.96 116.42 115.76 2frq h ASP 122 Ca -0.00 -0.37 -0.14 0.00 -0.00 0.00 0.00 57.03 56.52 2frq h ASP 122 Cb 0.69 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 2frq h ASP 122 CO 0.04 1.11 -0.48 0.58 -0.00 0.00 0.00 179.24 180.49 2frq h VAL 123 N 0.61 1.32 -0.54 4.15 2.07 -1.91 -2.23 116.25 119.71 2frq h VAL 123 Ca 0.05 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 2frq h VAL 123 Cb 0.97 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2frq h VAL 123 CO 0.09 0.52 -0.02 0.25 0.02 0.00 0.00 177.57 178.44 2frq h LEU 124 N 0.38 0.95 -0.47 2.57 5.85 -1.22 -1.93 115.31 121.44 2frq h LEU 124 Ca 0.02 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2frq h LEU 124 Cb 0.98 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2frq h LEU 124 CO 0.09 1.03 0.28 0.50 -0.34 0.00 0.00 178.44 180.00 2frq h LYS 125 N 0.84 0.64 -0.57 1.25 3.64 -0.97 -0.81 116.57 120.58 2frq h LYS 125 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2frq h LYS 125 Cb 0.56 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2frq h LYS 125 CO 0.03 0.48 0.20 1.49 -2.27 0.00 0.00 179.45 179.38 2frq h GLU 126 N 0.62 0.84 -0.37 1.90 4.81 -1.24 -1.24 114.58 119.90 2frq h GLU 126 Ca 0.17 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2frq h GLU 126 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2frq h GLU 126 CO -0.03 0.71 -0.21 0.00 -0.73 0.00 0.00 179.01 178.75 2frq h ALA 127 N 1.40 0.53 -0.47 2.92 0.00 -0.87 -0.84 119.26 121.94 2frq h ALA 127 Ca 0.19 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2frq h ALA 127 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2frq h ALA 127 CO -0.01 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 179.98 2frq h VAL 128 N 0.60 1.25 -0.13 0.00 2.07 -0.94 0.24 116.25 119.35 2frq h VAL 128 Ca 0.08 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 2frq h VAL 128 Cb 0.77 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2frq h VAL 128 CO 0.06 0.37 -0.50 0.00 0.02 0.00 0.00 177.57 177.52 2frq h ALA 129 N 1.23 0.23 0.00 1.67 0.00 -1.14 -3.32 119.26 117.93 2frq h ALA 129 Ca 0.14 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2frq h ALA 129 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2frq h ALA 129 CO 0.02 0.41 -2.09 0.09 0.00 0.00 0.00 179.25 177.69 2frq n ASN 130 N -4.22 0.18 -0.10 0.00 3.02 -0.33 -4.76 115.26 109.05 2frq n ASN 130 Ca -0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.28 2frq n ASN 130 Cb 0.60 1.64 -0.08 0.00 -0.61 0.00 0.00 39.78 41.33 2frq n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2frq n LYS 131 N -2.39 0.47 -0.38 3.52 4.76 0.79 -5.06 118.16 119.86 2frq n LYS 131 Ca -0.13 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2frq n LYS 131 Cb 0.74 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2frq n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2frq n GLY 131 N 1.98 0.75 3.67 0.72 0.00 -0.82 -4.97 105.19 106.51 2frq n GLY 131 Ca -0.40 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2frq n GLY 131 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2frq n PRO 131 N -0.31 1.73 -5.18 1.61 -0.02 -1.26 -4.06 135.00 127.51 2frq n PRO 131 Ca 0.00 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2frq n PRO 131 Cb 0.00 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.06 2frq n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2frq s VAL 131 N -1.21 1.97 0.14 -1.45 1.01 -0.59 -4.81 120.40 115.45 2frq s VAL 131 Ca 0.62 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2frq s VAL 131 Cb -0.53 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 2frq s VAL 131 CO 0.58 0.54 1.14 -0.44 0.00 0.00 0.00 175.10 176.92 2frq s SER 131 N 0.15 7.18 0.13 3.32 0.01 0.31 -0.78 113.70 124.03 2frq s SER 131 Ca -0.12 2.08 -0.02 0.00 1.31 0.00 0.00 55.95 59.19 2frq s SER 131 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 2frq s SER 131 CO 0.06 -0.33 0.09 0.68 0.41 0.00 0.00 173.24 174.16 2frq s VAL 132 N 0.24 0.10 -0.01 3.43 -7.23 -0.59 -0.89 120.40 115.46 2frq s VAL 132 Ca 0.53 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 2frq s VAL 132 Cb -0.30 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2frq s VAL 132 CO 0.33 -0.45 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.70 2frq s GLY 133 N -3.03 1.58 0.11 2.32 0.00 -1.26 -1.02 107.32 106.02 2frq s GLY 133 Ca 0.23 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2frq s GLY 133 CO 0.01 -0.90 -0.08 -1.34 0.00 0.00 0.00 173.10 170.80 2frq s VAL 134 N -0.84 0.82 -0.59 1.40 -7.23 0.37 -4.00 120.40 110.33 2frq s VAL 134 Ca 0.14 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.12 2frq s VAL 134 Cb -0.11 -1.69 0.05 0.00 0.56 0.00 0.00 36.38 35.19 2frq s VAL 134 CO 0.03 -0.82 0.98 -0.62 -0.31 0.00 0.00 175.10 174.36 2frq s ASP 135 N -3.02 6.29 -0.24 4.85 2.15 -0.05 -1.10 116.67 125.54 2frq s ASP 135 Ca 0.12 -0.50 0.12 0.00 0.43 0.00 0.00 52.55 52.72 2frq s ASP 135 Cb 0.04 -2.44 0.48 0.00 -0.30 0.00 0.00 42.92 40.70 2frq s ASP 135 CO -0.03 -1.33 1.40 0.00 -0.17 0.00 0.00 175.17 175.03 2frq n ALA 136 N 7.69 3.78 0.06 3.66 0.00 -1.26 -4.73 120.51 129.72 2frq n ALA 136 Ca 0.01 -2.95 -0.09 0.00 0.00 0.00 0.00 53.44 50.41 2frq n ALA 136 Cb 0.47 -0.65 0.09 0.00 0.00 0.00 0.00 19.45 19.36 2frq n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2frq n ARG 137 N -1.03 1.68 -4.79 0.00 1.74 -1.26 -4.83 116.66 108.16 2frq n ARG 137 Ca 0.28 -1.30 -0.25 0.00 -0.77 0.00 0.00 57.85 55.81 2frq n ARG 137 Cb 0.93 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 30.67 2frq n ARG 137 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2frq s HIS 138 N -1.46 1.53 0.47 -1.55 3.76 -1.26 -5.03 115.29 111.75 2frq s HIS 138 Ca 0.24 -0.33 0.23 0.00 -0.15 0.00 0.00 55.06 55.05 2frq s HIS 138 Cb 0.20 -1.00 1.23 0.00 1.11 0.00 0.00 32.58 34.13 2frq s HIS 138 CO 0.05 -0.06 1.88 -1.00 -0.85 0.00 0.00 174.74 174.76 2frq h PRO 139 N 5.88 0.24 -0.32 8.40 0.13 -2.01 -0.71 132.00 143.61 2frq h PRO 139 Ca -0.35 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 2frq h PRO 139 Cb 1.16 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2frq h PRO 139 CO 0.48 0.16 0.22 0.66 -0.23 0.00 0.00 178.00 179.29 2frq h SER 140 N 0.24 0.16 -0.27 1.44 4.64 -1.96 -0.71 113.55 117.09 2frq h SER 140 Ca 0.43 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 2frq h SER 140 Cb 1.31 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2frq h SER 140 CO -0.11 0.11 -0.19 0.15 -0.87 0.00 0.00 176.83 175.92 2frq h PHE 141 N 0.18 0.71 -0.19 4.77 3.04 -1.46 -1.23 116.94 122.77 2frq h PHE 141 Ca 0.14 -0.19 -0.09 0.00 3.98 0.00 0.00 57.97 61.81 2frq h PHE 141 Cb 0.33 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2frq h PHE 141 CO -0.00 0.88 -0.29 0.74 -2.02 0.00 0.00 178.31 177.62 2frq h PHE 142 N 0.34 0.42 -0.01 0.41 0.04 -1.41 -2.92 116.94 113.82 2frq h PHE 142 Ca 0.05 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2frq h PHE 142 Cb 0.72 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2frq h PHE 142 CO 0.07 0.63 -0.04 1.28 -0.60 0.00 0.00 178.31 179.64 2frq n LEU 147 N -4.11 1.30 -4.71 1.54 4.77 -0.35 -4.92 117.00 110.53 2frq n LEU 147 Ca -0.01 -0.42 -0.43 0.00 -0.03 0.00 0.00 56.01 55.12 2frq n LEU 147 Cb 0.41 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2frq n LEU 147 CO 0.41 0.22 1.09 0.00 -1.33 0.00 0.00 177.39 177.79 2frq n TYR 148 N -0.06 2.47 0.00 -1.77 4.19 -0.47 -4.92 117.16 116.59 2frq n TYR 148 Ca 0.18 0.38 0.00 0.00 3.31 0.00 0.00 57.90 61.77 2frq n TYR 148 Cb 0.34 -2.51 0.00 0.00 0.49 0.00 0.00 39.34 37.66 2frq n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2frq n ARG 149 N 1.88 0.00 -3.70 2.98 5.12 -1.26 -3.35 116.66 118.32 2frq n ARG 149 Ca 0.09 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.98 2frq n ARG 149 Cb 0.34 -0.77 -0.01 0.00 -1.16 0.00 0.00 32.46 30.86 2frq n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2frq s SER 150 N -4.21 -0.19 0.00 0.55 1.04 -1.26 -3.38 113.70 106.25 2frq s SER 150 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2frq s SER 150 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2frq s SER 150 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2frq n GLY 151 N -0.44 -1.85 3.59 7.32 0.00 -1.26 -4.79 105.19 107.75 2frq n GLY 151 Ca -0.07 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 2frq n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2frq s VAL 152 N 0.00 5.01 -0.00 1.61 1.01 -1.26 -4.13 120.40 122.63 2frq s VAL 152 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 2frq s VAL 152 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2frq s VAL 152 CO 0.00 -0.10 1.23 -0.47 0.00 0.00 0.00 175.10 175.76 2frq s TYR 153 N 2.43 3.23 -0.07 5.22 5.04 0.12 -4.85 117.35 128.49 2frq s TYR 153 Ca 0.21 1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 2frq s TYR 153 Cb -0.15 -3.45 0.04 0.00 0.35 0.00 0.00 41.96 38.74 2frq s TYR 153 CO 0.12 -1.46 0.13 -0.47 -1.34 0.00 0.00 175.55 172.53 2frq s TYR 154 N 1.81 -0.13 -0.24 4.97 5.04 -1.26 -1.36 117.35 126.18 2frq s TYR 154 Ca 0.58 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.70 2frq s TYR 154 Cb -0.27 -0.21 0.06 0.00 0.35 0.00 0.00 41.96 41.89 2frq s TYR 154 CO 0.25 -0.20 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.20 2frq s GLU 155 N 1.71 1.67 0.53 4.97 2.56 -1.26 -5.01 118.70 123.87 2frq s GLU 155 Ca -0.03 -1.05 0.30 0.00 0.00 0.00 0.00 54.97 54.19 2frq s GLU 155 Cb -0.12 -2.63 1.46 0.00 2.00 0.00 0.00 34.13 34.84 2frq s GLU 155 CO -0.05 -0.61 1.90 -1.35 -0.56 0.00 0.00 175.26 174.59 2frq h PRO 155 N 7.93 0.02 -0.07 4.30 0.11 -2.05 -0.06 132.00 142.17 2frq h PRO 155 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2frq h PRO 155 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2frq h PRO 155 CO 0.42 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.65 2frq n SER 155 N -4.29 1.57 -4.74 -2.05 7.64 -1.26 -4.95 113.62 105.54 2frq n SER 155 Ca 0.17 -1.58 -0.36 0.00 1.01 0.00 0.00 58.87 58.12 2frq n SER 155 Cb 0.91 -0.04 0.06 0.00 -1.01 0.00 0.00 64.21 64.12 2frq n SER 155 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2frq s THR 155 N -1.67 0.53 -1.36 0.00 -4.23 -1.26 -4.76 115.64 102.89 2frq s THR 155 Ca 0.78 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.46 2frq s THR 155 Cb -0.31 -2.25 0.65 0.00 1.34 0.00 0.00 72.50 71.92 2frq s THR 155 CO 0.38 0.00 1.54 0.00 -0.54 0.00 0.00 174.62 176.00 2frq n GLN 155 N -0.99 3.30 -3.07 3.99 3.00 -1.26 -2.88 117.38 119.47 2frq n GLN 155 Ca -0.08 -2.57 -0.45 0.00 -0.01 0.00 0.00 57.00 53.90 2frq n GLN 155 Cb 0.65 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 2frq n GLN 155 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2frq s ASN 156 N -0.89 6.43 0.50 1.08 0.01 -1.26 -4.75 114.94 116.06 2frq s ASN 156 Ca 0.46 -1.82 -0.18 0.00 -0.71 0.00 0.00 52.86 50.62 2frq s ASN 156 Cb 0.29 -2.33 -0.08 0.00 0.41 0.00 0.00 41.25 39.53 2frq s ASN 156 CO 0.24 -1.03 0.98 0.68 -1.51 0.00 0.00 177.10 176.46 2frq s VAL 157 N 2.35 4.47 0.00 1.60 -7.23 -1.26 -4.43 120.40 115.91 2frq s VAL 157 Ca 0.21 1.27 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 2frq s VAL 157 Cb -0.15 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2frq s VAL 157 CO -0.01 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 173.72 2frq n ASN 158 N -1.38 0.00 -4.06 4.85 6.94 -0.26 -4.88 115.26 116.47 2frq n ASN 158 Ca 0.07 -0.17 -0.29 0.00 -0.02 0.00 0.00 54.58 54.16 2frq n ASN 158 Cb 0.54 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.79 2frq n ASN 158 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2frq s HIS 159 N 0.00 2.06 -0.13 -2.53 5.04 -0.36 -4.95 115.29 114.41 2frq s HIS 159 Ca 0.00 -1.01 -0.22 0.00 -1.54 0.00 0.00 55.06 52.30 2frq s HIS 159 Cb 0.00 -1.48 -0.03 0.00 0.04 0.00 0.00 32.58 31.11 2frq s HIS 159 CO 0.00 -0.52 0.65 0.20 -2.34 0.00 0.00 174.74 172.73 2frq s GLY 160 N 1.06 2.34 0.13 1.59 0.00 -1.26 -0.48 107.32 110.69 2frq s GLY 160 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.63 2frq s GLY 160 CO -0.03 1.19 0.10 3.33 0.00 0.00 0.00 173.10 177.69 2frq n VAL 161 N 4.15 0.00 -4.15 1.40 0.24 -0.19 -4.45 118.33 115.33 2frq n VAL 161 Ca -0.02 -0.92 -0.25 0.00 -2.04 0.00 0.00 64.34 61.11 2frq n VAL 161 Cb 0.51 0.45 -0.17 0.00 -1.47 0.00 0.00 33.84 33.16 2frq n VAL 161 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2frq s LEU 168 N 0.00 1.34 -0.33 1.34 2.96 -0.96 -1.54 118.68 121.48 2frq s LEU 168 Ca 0.15 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 2frq s LEU 168 Cb 0.01 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.91 2frq s LEU 168 CO 0.10 -0.06 0.86 -0.69 -1.32 0.00 0.00 176.35 175.24 2frq s VAL 169 N 1.30 4.69 -1.03 1.68 1.01 0.04 -0.40 120.40 127.69 2frq s VAL 169 Ca -0.03 1.22 0.12 0.00 0.00 0.00 0.00 61.98 63.29 2frq s VAL 169 Cb -0.14 -4.24 0.34 0.00 0.00 0.00 0.00 36.38 32.34 2frq s VAL 169 CO -0.03 -0.38 1.28 1.33 0.00 0.00 0.00 175.10 177.30 2frq n VAL 170 N 5.73 0.99 -2.35 2.92 0.24 0.33 -1.55 118.33 124.64 2frq n VAL 170 Ca 0.06 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2frq n VAL 170 Cb 0.48 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 2frq n VAL 170 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2frq n GLY 171 N 0.63 -1.59 3.60 7.63 0.00 -1.18 -1.02 105.19 113.26 2frq n GLY 171 Ca 0.13 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2frq n GLY 171 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2frq s TYR 172 N -2.66 -0.37 -1.05 1.61 -0.85 0.17 -0.71 117.35 113.48 2frq s TYR 172 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 2frq s TYR 172 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 2frq s TYR 172 CO 0.00 -0.95 0.00 0.41 -1.52 0.00 0.00 175.55 173.49 2frq n GLY 173 N -0.40 -0.68 3.21 5.49 0.00 -0.83 -0.94 105.19 111.05 2frq n GLY 173 Ca -0.11 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2frq n GLY 173 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2frq s ASP 174 N -4.00 -0.27 -0.45 1.61 1.47 -1.26 -0.98 116.67 112.79 2frq s ASP 174 Ca 0.00 0.44 -0.01 0.00 1.18 0.00 0.00 52.55 54.16 2frq s ASP 174 Cb 0.00 0.53 0.12 0.00 -0.34 0.00 0.00 42.92 43.23 2frq s ASP 174 CO 0.00 -0.22 0.23 -0.22 0.68 0.00 0.00 175.17 175.64 2frq s LEU 174 N -0.35 5.09 -1.28 2.11 2.96 0.57 -4.66 118.68 123.12 2frq s LEU 174 Ca -0.05 -2.31 -0.02 0.00 -0.22 0.00 0.00 54.13 51.53 2frq s LEU 174 Cb -0.03 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2frq s LEU 174 CO 0.02 -0.45 0.94 0.59 -1.32 0.00 0.00 176.35 176.12 2frq n ASN 174 N 4.18 -2.61 0.00 3.68 4.13 -1.26 -2.27 115.26 121.11 2frq n ASN 174 Ca 0.02 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.60 2frq n ASN 174 Cb 0.40 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 33.92 2frq n ASN 174 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2frq n GLY 174 N -1.42 2.54 3.59 7.41 0.00 -1.26 -4.99 105.19 111.05 2frq n GLY 174 Ca -0.23 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2frq n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2frq s LYS 174 N 0.00 3.02 0.44 1.61 0.00 -0.96 -4.93 119.74 118.92 2frq s LYS 174 Ca 0.00 1.51 -0.23 0.00 0.00 0.00 0.00 55.97 57.25 2frq s LYS 174 Cb 0.00 -4.32 -0.08 0.00 0.00 0.00 0.00 37.83 33.42 2frq s LYS 174 CO 0.00 -2.23 1.09 -1.21 0.00 0.00 0.00 175.35 173.00 2frq s GLU 174 N 6.38 3.94 0.19 1.78 2.02 -1.26 -0.32 118.70 131.43 2frq s GLU 174 Ca 0.87 1.58 -0.12 0.00 0.02 0.00 0.00 54.97 57.32 2frq s GLU 174 Cb -0.24 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.59 2frq s GLU 174 CO 0.31 -0.35 0.38 1.52 0.02 0.00 0.00 175.26 177.14 2frq s TYR 174 N -1.68 0.28 -0.12 1.61 -0.85 -0.15 -1.50 117.35 114.93 2frq s TYR 174 Ca 0.62 -0.63 -0.02 0.00 -0.52 0.00 0.00 57.07 56.51 2frq s TYR 174 Cb -0.23 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 2frq s TYR 174 CO 0.29 -0.82 -0.05 -1.58 -1.52 0.00 0.00 175.55 171.87 2frq s TRP 174 N -3.96 3.01 -0.41 -3.49 0.52 0.12 -1.96 118.94 112.76 2frq s TRP 174 Ca 0.17 -0.17 -0.22 0.00 0.02 0.00 0.00 56.10 55.89 2frq s TRP 174 Cb 0.01 -1.87 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2frq s TRP 174 CO 0.01 0.11 0.74 -1.17 0.02 0.00 0.00 176.95 176.66 2frq s LEU 174 N -0.09 4.25 -0.14 2.99 2.96 0.11 -1.26 118.68 127.49 2frq s LEU 174 Ca 0.02 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2frq s LEU 174 Cb -0.13 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 2frq s LEU 174 CO 0.03 -0.79 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.49 2frq s VAL 174 N 3.06 3.41 -0.25 1.68 1.01 -0.33 -0.51 120.40 128.48 2frq s VAL 174 Ca 0.28 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2frq s VAL 174 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2frq s VAL 174 CO 0.19 0.51 0.41 -0.75 0.00 0.00 0.00 175.10 175.46 2frq s LYS 174 N 0.39 4.07 0.57 2.72 2.20 0.46 -0.93 119.74 129.23 2frq s LYS 174 Ca -0.08 0.14 0.10 0.00 -0.36 0.00 0.00 55.97 55.77 2frq s LYS 174 Cb -0.15 -3.62 0.09 0.00 -1.51 0.00 0.00 37.83 32.64 2frq s LYS 174 CO 0.04 -0.22 0.78 1.21 -0.36 0.00 0.00 175.35 176.80 2frq s ASN 175 N 1.44 5.08 -0.29 1.43 2.47 -0.80 -2.28 114.94 121.99 2frq s ASN 175 Ca 0.17 -0.87 0.12 0.00 0.42 0.00 0.00 52.86 52.71 2frq s ASN 175 Cb -0.15 0.30 0.47 0.00 -1.45 0.00 0.00 41.25 40.43 2frq s ASN 175 CO 0.09 -1.33 1.15 -1.54 -3.72 0.00 0.00 177.10 171.75 2frq n SER 176 N -2.22 3.74 -1.19 -4.21 3.41 -1.26 -4.53 113.62 107.35 2frq n SER 176 Ca 0.15 -3.16 -0.02 0.00 -0.26 0.00 0.00 58.87 55.59 2frq n SER 176 Cb 0.62 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.39 2frq n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2frq n TRP 177 N -0.65 1.25 0.00 7.33 8.01 -1.20 -1.15 117.44 131.03 2frq n TRP 177 Ca 0.31 -1.37 0.00 0.00 -1.31 0.00 0.00 57.50 55.13 2frq n TRP 177 Cb 0.90 -0.48 0.00 0.00 -2.01 0.00 0.00 31.31 29.72 2frq n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2frq n GLY 188 N -0.89 -0.78 0.00 6.99 0.00 -0.31 -4.33 105.19 105.87 2frq n GLY 188 Ca 0.32 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.82 2frq n GLY 188 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2frq n HIS 189 N -0.76 0.00 1.04 1.61 1.44 -1.26 -3.10 115.22 114.19 2frq n HIS 189 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 2frq n HIS 189 Cb 0.00 -0.06 0.09 0.00 0.12 0.00 0.00 29.99 30.14 2frq n HIS 189 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2frq n ASN 190 N -1.06 1.06 -4.75 4.39 3.02 -1.26 -3.33 115.26 113.32 2frq n ASN 190 Ca 0.20 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.49 2frq n ASN 190 Cb 0.13 0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 2frq n ASN 190 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2frq s PHE 191 N -2.82 3.85 0.00 3.10 2.19 -1.18 -4.81 117.98 118.32 2frq s PHE 191 Ca 0.14 1.67 0.00 0.00 0.33 0.00 0.00 56.93 59.06 2frq s PHE 191 Cb 0.17 -2.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.01 2frq s PHE 191 CO 0.71 0.38 0.00 0.41 1.83 0.00 0.00 175.22 178.55 2frq n GLY 192 N 1.93 2.74 3.24 13.12 0.00 -1.21 0.48 105.19 125.48 2frq n GLY 192 Ca -0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2frq n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2frq n GLU 193 N 14.00 3.39 -3.86 1.61 1.02 0.38 -4.49 120.64 132.69 2frq n GLU 193 Ca 0.00 -3.59 -0.26 0.00 -0.02 0.00 0.00 57.16 53.29 2frq n GLU 193 Cb 0.00 -3.08 0.01 0.00 -0.02 0.00 0.00 31.44 28.36 2frq n GLU 193 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2frq n GLU 194 N 5.44 -4.57 0.00 3.49 1.02 -1.18 -2.26 120.64 122.59 2frq n GLU 194 Ca 0.40 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 2frq n GLU 194 Cb 0.41 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 2frq n GLU 194 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2frq n GLY 195 N -1.69 1.73 3.67 0.62 0.00 0.18 -4.71 105.19 104.99 2frq n GLY 195 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2frq n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2frq s TYR 196 N -2.38 2.70 -0.04 1.61 1.51 -0.96 -1.91 117.35 117.89 2frq s TYR 196 Ca 0.00 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2frq s TYR 196 Cb 0.00 -1.34 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2frq s TYR 196 CO 0.00 0.53 0.09 -1.50 -1.11 0.00 0.00 175.55 173.57 2frq s ILE 197 N -2.36 -0.04 -0.31 2.71 2.07 -0.11 -0.47 121.20 122.69 2frq s ILE 197 Ca 0.33 0.15 -0.14 0.00 -1.41 0.00 0.00 60.65 59.58 2frq s ILE 197 Cb -0.05 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 2frq s ILE 197 CO 0.21 0.06 0.33 -0.13 -1.91 0.00 0.00 174.94 173.50 2frq s ARG 198 N 0.87 3.79 -0.02 3.50 0.52 -1.26 -1.18 118.95 125.16 2frq s ARG 198 Ca -0.07 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 2frq s ARG 198 Cb -0.09 -3.73 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 2frq s ARG 198 CO -0.04 -0.38 -0.02 -1.64 0.02 0.00 0.00 175.30 173.25 2frq s MET 199 N 1.99 2.79 0.02 3.54 -1.94 -0.39 0.16 119.30 125.47 2frq s MET 199 Ca 0.12 -0.58 -0.38 0.00 -1.71 0.00 0.00 55.69 53.14 2frq s MET 199 Cb -0.16 -2.66 -0.17 0.00 2.01 0.00 0.00 34.83 33.84 2frq s MET 199 CO 0.11 0.64 1.34 0.00 -0.01 0.00 0.00 175.02 177.10 2frq n ALA 200 N 1.65 -1.34 -2.49 3.03 0.00 -0.46 0.11 120.51 121.01 2frq n ALA 200 Ca -0.16 0.52 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 2frq n ALA 200 Cb 0.53 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.82 2frq n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2frq s ARG 201 N 0.76 2.38 -1.38 0.00 3.52 -0.56 -4.59 118.95 119.06 2frq s ARG 201 Ca 0.87 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 55.63 2frq s ARG 201 Cb -1.03 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 2frq s ARG 201 CO 0.51 0.59 0.76 0.09 -0.81 0.00 0.00 175.30 176.45 2frq n ASN 202 N 1.93 -5.93 -2.58 -2.12 3.02 -1.26 -4.61 115.26 103.71 2frq n ASN 202 Ca -0.16 -0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 53.77 2frq n ASN 202 Cb 0.52 -4.68 -0.01 0.00 -0.61 0.00 0.00 39.78 35.01 2frq n ASN 202 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2frq n LYS 203 N -4.13 3.27 -3.18 3.52 4.76 -1.26 -4.92 118.16 116.23 2frq n LYS 203 Ca -0.06 -4.51 -0.15 0.00 -2.87 0.00 0.00 58.31 50.72 2frq n LYS 203 Cb 0.59 -2.20 0.07 0.00 -1.84 0.00 0.00 35.03 31.65 2frq n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2frq n GLY 203 N -0.41 -0.19 3.67 0.72 0.00 -1.26 -3.32 105.19 104.40 2frq n GLY 203 Ca 0.36 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 2frq n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2frq n ASN 203 N -2.47 -3.06 -4.69 1.61 5.15 -1.26 -4.83 115.26 105.71 2frq n ASN 203 Ca -0.16 -0.89 -0.44 0.00 -0.60 0.00 0.00 54.58 52.49 2frq n ASN 203 Cb 0.61 -3.85 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 2frq n ASN 203 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2frq n HIS 203 N -4.13 2.51 -1.52 1.20 -0.00 -1.21 -1.05 115.22 111.01 2frq n HIS 203 Ca -0.21 0.05 -0.18 0.00 -0.00 0.00 0.00 57.72 57.39 2frq n HIS 203 Cb 0.64 -2.65 -0.08 0.00 -0.00 0.00 0.00 29.99 27.91 2frq n HIS 203 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2frq n GLY 203 N -0.32 0.65 0.34 0.00 0.00 -0.22 -0.87 105.19 104.77 2frq n GLY 203 Ca -0.18 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 45.76 2frq n GLY 203 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2frq h ILE 203 N 0.00 0.82 -0.63 -0.61 2.10 -1.63 -0.28 117.51 117.28 2frq h ILE 203 Ca -0.35 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2frq h ILE 203 Cb 1.16 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2frq h ILE 203 CO 0.46 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.53 2frq n ALA 203 N -2.61 2.52 -0.00 0.18 0.00 -1.26 -4.50 120.51 114.85 2frq n ALA 203 Ca 0.06 -1.38 -0.13 0.00 0.00 0.00 0.00 53.44 51.99 2frq n ALA 203 Cb 0.44 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 2frq n ALA 203 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2frq h SER 204 N 3.73 0.02 -2.20 0.00 0.02 -1.32 0.25 113.55 114.06 2frq h SER 204 Ca 0.00 -0.33 -0.58 0.00 -0.84 0.00 0.00 61.79 60.04 2frq h SER 204 Cb 1.07 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 63.21 2frq h SER 204 CO 0.06 0.34 -0.95 0.49 -1.14 0.00 0.00 176.83 175.64 2frq n PHE 205 N -4.92 0.49 -3.40 3.45 3.01 -1.26 -3.98 117.46 110.85 2frq n PHE 205 Ca -0.08 -3.67 -0.34 0.00 1.01 0.00 0.00 57.45 54.38 2frq n PHE 205 Cb 0.18 -0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.33 2frq n PHE 205 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2frq s PRO 206 N -1.16 3.88 0.03 -1.08 0.02 -1.26 -3.98 135.00 131.46 2frq s PRO 206 Ca 0.35 0.37 -0.23 0.00 0.02 0.00 0.00 61.00 61.51 2frq s PRO 206 Cb 0.12 -2.81 0.05 0.00 0.02 0.00 0.00 34.50 31.88 2frq s PRO 206 CO -0.12 0.41 0.52 -1.54 -0.33 0.00 0.00 177.00 175.94 2frq s SER 207 N -2.01 -0.44 -0.03 2.53 1.04 -0.06 -0.96 113.70 113.76 2frq s SER 207 Ca 0.42 0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.99 2frq s SER 207 Cb -0.13 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.48 2frq s SER 207 CO 0.20 -0.68 0.20 -0.72 0.98 0.00 0.00 173.24 173.22 2frq s TYR 215 N -2.20 -0.11 0.46 5.02 1.13 -0.64 -0.53 117.35 120.49 2frq s TYR 215 Ca -0.07 0.22 0.03 0.00 -1.41 0.00 0.00 57.07 55.84 2frq s TYR 215 Cb -0.01 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.89 2frq s TYR 215 CO 0.00 -0.24 0.66 -1.25 -2.51 0.00 0.00 175.55 172.21 2frq s PRO 216 N -0.78 2.84 0.04 -3.49 0.04 -1.26 -0.79 135.00 131.60 2frq s PRO 216 Ca -0.09 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.14 2frq s PRO 216 Cb -0.05 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 2frq s PRO 216 CO 0.02 -0.38 -0.04 -1.21 0.04 0.00 0.00 177.00 175.42 2frq s GLU 217 N -4.53 0.47 0.00 4.56 2.02 -0.27 -4.94 118.70 116.01 2frq s GLU 217 Ca 0.52 -0.85 0.12 0.00 0.02 0.00 0.00 54.97 54.78 2frq s GLU 217 Cb -0.10 0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.26 2frq s GLU 217 CO 0.36 -0.04 0.88 -0.89 0.02 0.00 0.00 175.26 175.58