#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2frq s PRO 2 N 0.00 3.11 0.43 3.23 0.02 -1.26 -4.88 135.00 135.65 2frq s PRO 2 Ca 0.00 2.10 0.18 0.00 0.02 0.00 0.00 61.00 63.30 2frq s PRO 2 Cb 0.00 -2.17 0.96 0.00 0.02 0.00 0.00 34.50 33.31 2frq s PRO 2 CO 0.00 -1.17 1.90 -0.44 -0.33 0.00 0.00 177.00 176.96 2frq h ASP 3 N 1.33 0.00 -5.04 2.53 3.45 -2.03 -3.44 116.42 113.22 2frq h ASP 3 Ca -0.51 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 56.83 2frq h ASP 3 Cb 1.30 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.88 2frq h ASP 3 CO 0.57 0.27 -0.42 -0.94 -1.57 0.00 0.00 179.24 177.15 2frq s SER 4 N -6.64 0.02 -0.06 6.45 1.04 -1.26 -4.44 113.70 108.82 2frq s SER 4 Ca -0.02 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 2frq s SER 4 Cb 0.14 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2frq s SER 4 CO 0.67 -0.49 0.17 -0.69 0.98 0.00 0.00 173.24 173.89 2frq s VAL 5 N -2.08 0.01 -0.30 5.02 1.01 -0.10 -4.96 120.40 119.00 2frq s VAL 5 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2frq s VAL 5 Cb -0.03 -0.28 0.14 0.00 0.00 0.00 0.00 36.38 36.20 2frq s VAL 5 CO -0.01 -0.06 0.31 -0.62 0.00 0.00 0.00 175.10 174.72 2frq s ASP 6 N -0.14 1.57 0.18 3.32 -1.08 -1.26 -0.75 116.67 118.51 2frq s ASP 6 Ca -0.02 -0.81 0.14 0.00 -0.52 0.00 0.00 52.55 51.34 2frq s ASP 6 Cb -0.02 0.54 0.72 0.00 -1.46 0.00 0.00 42.92 42.70 2frq s ASP 6 CO 0.00 -0.38 1.45 0.79 0.52 0.00 0.00 175.17 177.55 2frq n TRP 7 N 5.22 0.44 0.16 -5.34 7.02 -0.19 -1.62 117.44 123.12 2frq n TRP 7 Ca -0.01 0.21 0.01 0.00 -1.02 0.00 0.00 57.50 56.70 2frq n TRP 7 Cb 0.46 -0.84 0.32 0.00 -2.42 0.00 0.00 31.31 28.83 2frq n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2frq h ARG 8 N 0.00 0.07 0.00 -0.99 3.08 -1.93 -2.18 114.38 112.43 2frq h ARG 8 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2frq h ARG 8 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2frq h ARG 8 CO 0.00 0.44 0.00 0.93 -1.07 0.00 0.00 179.97 180.27 2frq h GLU 9 N 0.06 0.00 -0.57 0.04 5.08 -1.71 -2.14 114.58 115.33 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 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2frq h GLU 9 CO 0.05 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 2frq n LYS 10 N -2.71 2.62 -2.64 2.33 5.02 -0.85 -4.95 118.16 116.98 2frq n LYS 10 Ca 0.01 -2.48 -0.19 0.00 -2.02 0.00 0.00 58.31 53.63 2frq n LYS 10 Cb 0.28 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.56 -0.38 1.03 0.72 0.00 -0.81 -4.90 105.19 102.41 2frq n GLY 11 Ca 0.22 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.08 1.34 0.87 0.00 1.01 -1.26 -3.67 120.40 117.61 2frq s VAL 13 Ca 0.37 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2frq s VAL 13 Cb 0.20 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.45 2frq s VAL 13 CO 0.24 0.41 1.19 0.42 0.00 0.00 0.00 175.10 177.36 2frq s THR 14 N 1.15 1.99 0.66 3.92 -4.23 -1.26 -4.98 115.64 112.88 2frq s THR 14 Ca -0.04 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.29 2frq s THR 14 Cb -0.14 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 2frq s THR 14 CO -0.03 0.00 1.20 -0.62 -0.54 0.00 0.00 174.62 174.62 2frq n GLU 15 N -3.54 0.96 -2.06 3.99 -0.58 -1.26 -4.92 120.64 113.22 2frq n GLU 15 Ca 0.09 0.38 -0.41 0.00 -0.42 0.00 0.00 57.16 56.80 2frq n GLU 15 Cb 0.60 -2.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.02 2frq n GLU 15 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2frq s VAL 16 N -1.49 2.67 0.32 2.62 1.01 -1.26 -5.02 120.40 119.25 2frq s VAL 16 Ca 0.80 0.62 0.07 0.00 0.00 0.00 0.00 61.98 63.47 2frq s VAL 16 Cb -0.38 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2frq s VAL 16 CO 0.43 0.12 0.34 -0.54 0.00 0.00 0.00 175.10 175.45 2frq s LYS 17 N -1.14 2.89 -0.26 2.72 -0.14 -1.26 -4.69 119.74 117.86 2frq s LYS 17 Ca 0.54 -1.16 0.03 0.00 -1.36 0.00 0.00 55.97 54.01 2frq s LYS 17 Cb -0.41 -2.60 0.07 0.00 -1.68 0.00 0.00 37.83 33.20 2frq s LYS 17 CO 0.49 0.13 -0.07 -0.47 -0.76 0.00 0.00 175.35 174.67 2frq s TYR 18 N -2.23 3.10 -0.10 3.18 6.14 -1.26 -1.11 117.35 125.07 2frq s TYR 18 Ca 0.41 -2.27 0.27 0.00 0.64 0.00 0.00 57.07 56.11 2frq s TYR 18 Cb -0.07 -1.97 0.82 0.00 0.42 0.00 0.00 41.96 41.16 2frq s TYR 18 CO 0.28 -0.86 1.78 -0.56 0.64 0.00 0.00 175.55 176.82 2frq h GLN 19 N 7.80 0.00 0.00 4.97 3.07 -1.43 -3.47 115.11 126.05 2frq h GLN 19 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 2frq h GLN 19 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 2frq h GLN 19 CO 0.46 0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.87 2frq n GLY 20 N 0.53 0.71 1.26 0.06 0.00 -1.26 -3.24 105.19 103.24 2frq n GLY 20 Ca 0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 2frq n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2frq n SER 21 N -0.99 3.05 -4.26 1.61 7.64 -1.26 -4.78 113.62 114.63 2frq n SER 21 Ca 0.00 -2.41 -0.33 0.00 1.01 0.00 0.00 58.87 57.14 2frq n SER 21 Cb 0.00 -0.59 -0.16 0.00 -1.01 0.00 0.00 64.21 62.46 2frq n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2frq n GLY 23 N 3.77 3.76 1.55 0.00 0.00 0.00 -4.57 105.19 109.71 2frq n GLY 23 Ca -0.19 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.49 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 5.23 3.92 -0.34 4.61 0.00 -1.26 -2.87 120.51 129.80 2frq n ALA 24 Ca 0.58 -2.33 0.09 0.00 0.00 0.00 0.00 53.44 51.78 2frq n ALA 24 Cb 0.29 -1.01 0.26 0.00 0.00 0.00 0.00 19.45 19.00 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 0.82 1.01 -0.28 0.00 5.08 -1.82 0.48 115.95 121.25 2frq h TRP 26 Ca 0.52 -0.02 -0.11 0.00 1.08 0.00 0.00 58.89 60.36 2frq h TRP 26 Cb 0.68 -0.33 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 2frq h TRP 26 CO -0.02 0.70 -0.27 0.00 -1.28 0.00 0.00 178.44 177.57 2frq h ALA 27 N 1.41 0.40 -0.39 0.11 0.00 -1.41 -1.76 119.26 117.63 2frq h ALA 27 Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2frq h ALA 27 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2frq h ALA 27 CO -0.04 0.40 -0.20 0.74 0.00 0.00 0.00 179.25 180.15 2frq h PHE 28 N 0.40 0.84 -0.35 0.00 -1.00 -0.99 -1.61 116.94 114.24 2frq h PHE 28 Ca 0.04 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 2frq h PHE 28 Cb 0.83 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 2frq h PHE 28 CO 0.07 0.89 0.15 1.03 -1.61 0.00 0.00 178.31 178.83 2frq h SER 29 N 0.66 0.48 -0.06 2.17 0.87 -0.85 -1.57 113.55 115.26 2frq h SER 29 Ca 0.10 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2frq h SER 29 Cb 0.69 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2frq h SER 29 CO 0.05 0.51 0.03 0.00 -0.53 0.00 0.00 176.83 176.89 2frq h ALA 30 N 0.99 0.07 -0.43 6.23 0.00 -1.14 -2.37 119.26 122.61 2frq h ALA 30 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2frq h ALA 30 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2frq h ALA 30 CO -0.01 -0.36 -0.01 -0.39 0.00 0.00 0.00 179.25 178.48 2frq h VAL 31 N -0.04 1.23 -0.69 0.00 -1.51 -1.27 -2.15 116.25 111.82 2frq h VAL 31 Ca 0.02 -0.94 0.02 0.00 -1.23 0.00 0.00 66.70 64.57 2frq h VAL 31 Cb 0.13 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.16 2frq h VAL 31 CO -0.00 0.33 0.44 1.23 -1.23 0.00 0.00 177.57 178.33 2frq h GLY 32 N 0.94 0.99 0.95 5.19 0.00 -1.13 0.26 103.07 110.27 2frq h GLY 32 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2frq h GLY 32 CO 0.02 0.30 0.12 0.00 0.00 0.00 0.00 176.54 176.98 2frq h ALA 33 N 1.28 0.59 -0.13 3.60 0.00 -1.07 -2.94 119.26 120.59 2frq h ALA 33 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2frq h ALA 33 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2frq h ALA 33 CO -0.09 0.26 -0.41 1.25 0.00 0.00 0.00 179.25 180.25 2frq h LEU 34 N 0.59 0.31 -1.03 0.00 5.85 -0.89 -3.02 115.31 117.12 2frq h LEU 34 Ca 0.14 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2frq h LEU 34 Cb 0.30 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2frq h LEU 34 CO -0.00 0.69 0.65 -0.33 -0.34 0.00 0.00 178.44 179.11 2frq h GLU 35 N 0.25 1.17 -0.33 1.25 5.08 -0.32 -0.06 114.58 121.62 2frq h GLU 35 Ca 0.02 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2frq h GLU 35 Cb 0.84 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2frq h GLU 35 CO 0.07 0.78 -0.01 0.00 -1.00 0.00 0.00 179.01 178.84 2frq h ALA 36 N 1.44 0.45 -0.62 3.43 0.00 -1.45 -1.96 119.26 120.54 2frq h ALA 36 Ca 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2frq h ALA 36 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2frq h ALA 36 CO -0.15 0.21 0.26 1.96 0.00 0.00 0.00 179.25 181.53 2frq h GLN 37 N 0.39 0.90 -0.67 0.00 1.08 -1.37 -0.87 115.11 114.58 2frq h GLN 37 Ca 0.09 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2frq h GLN 37 Cb 0.46 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 2frq h GLN 37 CO 0.02 0.73 0.23 1.25 -0.95 0.00 0.00 178.83 180.12 2frq h LEU 38 N 0.89 0.95 -0.51 1.46 5.85 -0.83 -1.23 115.31 121.89 2frq h LEU 38 Ca 0.21 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2frq h LEU 38 Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2frq h LEU 38 CO -0.02 0.89 0.11 0.50 -0.34 0.00 0.00 178.44 179.58 2frq h LYS 39 N 0.96 0.83 -0.20 1.25 1.63 -0.80 0.27 116.57 120.52 2frq h LYS 39 Ca 0.22 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2frq h LYS 39 Cb 0.26 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2frq h LYS 39 CO -0.01 0.80 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.61 2frq h LEU 40 N 0.72 0.29 0.12 5.20 3.38 -0.87 0.24 115.31 124.39 2frq h LEU 40 Ca 0.16 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 2frq h LEU 40 Cb 0.36 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2frq h LEU 40 CO 0.00 0.44 -1.40 0.11 0.09 0.00 0.00 178.44 177.69 2frq h LYS 41 N 0.30 0.25 0.00 1.13 1.57 -0.98 -3.41 116.57 115.43 2frq h LYS 41 Ca 0.06 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2frq h LYS 41 Cb 0.39 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2frq h LYS 41 CO 0.02 1.21 -1.52 0.25 -0.57 0.00 0.00 179.45 178.84 2frq n THR 42 N -3.92 0.00 -0.71 -0.16 -2.24 0.06 -4.99 114.28 102.32 2frq n THR 42 Ca -0.24 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2frq n THR 42 Cb 0.90 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.50 0.80 3.43 3.38 0.00 0.83 -5.03 105.19 110.10 2frq n GLY 43 Ca -0.01 0.00 -0.33 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 -0.29 3.12 -0.34 1.61 1.02 -1.25 -4.99 119.74 118.63 2frq s LYS 44 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.17 2frq s LYS 44 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2frq s LYS 44 CO 0.00 0.37 0.43 -1.17 -0.92 0.00 0.00 175.35 174.05 2frq s LEU 45 N -0.04 4.37 -0.04 3.17 2.96 -1.26 -3.58 118.68 124.27 2frq s LEU 45 Ca -0.02 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2frq s LEU 45 Cb -0.14 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2frq s LEU 45 CO 0.04 -0.39 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.96 2frq s VAL 46 N 2.18 0.41 0.19 1.68 1.01 -1.26 -5.09 120.40 119.52 2frq s VAL 46 Ca 0.15 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2frq s VAL 46 Cb -0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 2frq s VAL 46 CO 0.12 0.20 1.25 -0.44 0.00 0.00 0.00 175.10 176.23 2frq s SER 47 N 1.03 6.99 0.24 3.32 0.01 -1.26 -4.82 113.70 119.21 2frq s SER 47 Ca -0.10 2.32 0.05 0.00 1.31 0.00 0.00 55.95 59.53 2frq s SER 47 Cb -0.14 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2frq s SER 47 CO -0.01 -0.45 0.35 -0.76 0.41 0.00 0.00 173.24 172.79 2frq s LEU 48 N -0.20 4.28 -0.62 2.44 1.43 -1.26 -1.10 118.68 123.64 2frq s LEU 48 Ca 0.54 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 2frq s LEU 48 Cb -0.34 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.06 2frq s LEU 48 CO 0.38 -0.07 1.45 -0.55 0.23 0.00 0.00 176.35 177.79 2frq s SER 49 N -3.97 5.99 0.29 2.29 0.15 -0.30 -4.07 113.70 114.07 2frq s SER 49 Ca 0.34 0.08 0.06 0.00 0.70 0.00 0.00 55.95 57.13 2frq s SER 49 Cb -0.09 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 62.10 2frq s SER 49 CO 0.29 -1.86 1.69 0.00 1.20 0.00 0.00 173.24 174.55 2frq h ALA 50 N 11.44 1.08 -0.71 5.45 0.00 -1.87 -2.74 119.26 131.91 2frq h ALA 50 Ca -0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2frq h ALA 50 Cb 1.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2frq h ALA 50 CO 1.21 0.59 0.31 0.37 0.00 0.00 0.00 179.25 181.74 2frq h GLN 51 N 0.23 1.03 -0.80 0.00 5.75 -1.86 -1.40 115.11 118.06 2frq h GLN 51 Ca 0.02 -0.16 0.09 0.00 -0.15 0.00 0.00 58.65 58.46 2frq h GLN 51 Cb 0.82 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.12 2frq h GLN 51 CO 0.06 0.81 0.45 -0.97 -2.65 0.00 0.00 178.83 176.54 2frq h ASN 52 N 1.02 0.63 -0.18 -0.69 -0.00 -1.73 0.35 115.58 114.97 2frq h ASN 52 Ca 0.24 0.05 -0.10 0.00 -0.00 0.00 0.00 56.30 56.49 2frq h ASN 52 Cb 0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 38.40 2frq h ASN 52 CO -0.03 0.36 -0.29 -0.07 -0.00 0.00 0.00 177.43 177.41 2frq h LEU 53 N 0.75 0.57 -0.61 0.34 3.38 -1.37 -0.90 115.31 117.48 2frq h LEU 53 Ca 0.39 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2frq h LEU 53 Cb 0.36 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2frq h LEU 53 CO -0.25 0.99 0.32 0.58 0.09 0.00 0.00 178.44 180.17 2frq h VAL 54 N 0.17 0.95 0.00 1.22 2.07 -0.54 -0.04 116.25 120.08 2frq h VAL 54 Ca 0.02 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.12 2frq h VAL 54 Cb 0.87 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2frq h VAL 54 CO 0.07 0.11 -1.06 0.44 0.02 0.00 0.00 177.57 177.14 2frq h ASP 55 N 0.61 0.00 0.00 0.57 3.32 -0.97 -3.39 116.42 116.55 2frq h ASP 55 Ca 0.27 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 2frq h ASP 55 Cb 0.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 2frq h ASP 55 CO -0.18 0.93 -1.75 0.00 -1.72 0.00 0.00 179.24 176.52 2frq n SER 57 N -2.49 5.27 0.00 0.00 2.88 -0.04 -4.89 113.62 114.35 2frq n SER 57 Ca -0.19 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 2frq n SER 57 Cb 0.84 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 4.07 0.00 -0.29 2.46 -2.24 -1.26 -4.53 114.28 112.49 2frq n THR 57 Ca 0.36 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 2frq n THR 57 Cb 0.41 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.24 0.00 -0.78 3.07 -1.90 0.16 114.58 115.38 2frq h GLU 57 Ca 0.00 -0.01 -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 0.16 -0.00 0.87 -1.40 0.00 0.00 179.01 178.64 2frq h LYS 57 N 0.25 0.00 -0.43 2.33 1.57 -1.93 -1.19 116.57 117.17 2frq h LYS 57 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2frq h LYS 57 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2frq h LYS 57 CO -0.60 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.94 2frq n TYR 58 N -3.18 0.69 -1.14 -1.35 4.02 0.51 -4.96 117.16 111.74 2frq n TYR 58 Ca -0.03 -0.55 -0.05 0.00 -0.01 0.00 0.00 57.90 57.27 2frq n TYR 58 Cb 0.09 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 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 0.66 0.69 3.93 2.72 0.00 -0.45 -4.81 105.19 107.93 2frq n GLY 59 Ca 0.16 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.44 6.37 -0.20 1.61 0.02 -0.88 -4.78 114.94 114.64 2frq s ASN 60 Ca 0.00 0.28 0.14 0.00 -1.02 0.00 0.00 52.86 52.26 2frq s ASN 60 Cb 0.00 -1.96 0.44 0.00 0.02 0.00 0.00 41.25 39.75 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 -0.32 1.84 0.00 -0.60 5.02 0.12 -3.35 118.16 120.88 2frq n LYS 61 Ca -0.06 -3.31 0.00 0.00 -2.02 0.00 0.00 58.31 52.92 2frq n LYS 61 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.64 3.38 0.00 0.72 0.00 -1.23 -0.77 105.19 106.65 2frq n GLY 62 Ca 0.22 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.92 3.20 0.00 0.00 3.02 0.05 -0.82 115.26 119.79 2frq n ASN 64 Ca 0.11 -3.25 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2frq n ASN 64 Cb 0.05 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.85 2.51 1.01 7.41 0.00 -0.99 -4.75 105.19 109.53 2frq n GLY 65 Ca 0.23 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 1.20 0.74 3.35 -0.02 0.00 -1.26 0.16 105.19 109.36 2frq n GLY 66 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.59 2.34 0.10 1.61 0.40 -1.26 -4.74 117.98 112.85 2frq s PHE 67 Ca 0.07 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 2frq s PHE 67 Cb -0.00 -1.41 -0.12 0.00 0.51 0.00 0.00 43.02 42.00 2frq s PHE 67 CO 0.00 0.12 1.35 0.52 0.70 0.00 0.00 175.22 177.92 2frq h MET 68 N 4.84 0.78 -0.42 0.44 2.86 -1.98 -2.55 114.93 118.89 2frq h MET 68 Ca -0.46 -0.53 0.01 0.00 -2.06 0.00 0.00 59.70 56.65 2frq h MET 68 Cb 1.14 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 2frq h MET 68 CO 0.44 1.16 0.27 1.79 1.06 0.00 0.00 176.91 181.63 2frq h THR 69 N 0.52 1.08 0.00 2.22 1.35 -1.96 -0.50 112.91 115.62 2frq h THR 69 Ca -0.01 -0.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 2frq h THR 69 Cb 1.17 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2frq h THR 69 CO 0.12 0.10 -0.32 0.71 -0.25 0.00 0.00 175.52 175.88 2frq h THR 70 N 0.55 0.77 -0.43 6.82 1.35 -1.87 -1.74 112.91 118.35 2frq h THR 70 Ca 0.16 -1.38 -0.11 0.00 -0.55 0.00 0.00 66.41 64.53 2frq h THR 70 Cb -0.04 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2frq h THR 70 CO -0.05 0.31 -0.17 0.00 -0.25 0.00 0.00 175.52 175.36 2frq h ALA 74 N 1.68 0.60 -0.61 6.62 0.00 -0.97 -1.15 119.26 125.43 2frq h ALA 74 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2frq h ALA 74 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2frq h ALA 74 CO 0.04 0.54 0.31 0.74 0.00 0.00 0.00 179.25 180.88 2frq h PHE 75 N 0.70 0.87 -0.50 0.00 0.04 -0.61 -2.14 116.94 115.30 2frq h PHE 75 Ca 0.10 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2frq h PHE 75 Cb 0.73 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 2frq h PHE 75 CO 0.05 0.65 0.18 0.37 -0.60 0.00 0.00 178.31 178.97 2frq h GLN 76 N 0.84 0.73 -0.63 1.51 5.75 -1.05 -1.82 115.11 120.43 2frq h GLN 76 Ca 0.21 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2frq h GLN 76 Cb 0.10 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2frq h GLN 76 CO -0.03 0.62 0.34 -0.92 -2.65 0.00 0.00 178.83 176.19 2frq h TYR 77 N 0.72 0.88 -0.76 3.99 3.20 -0.64 0.75 116.97 125.10 2frq h TYR 77 Ca 0.17 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2frq h TYR 77 Cb 0.17 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 2frq h TYR 77 CO 0.01 0.63 0.39 0.82 -1.64 0.00 0.00 178.16 178.37 2frq h ILE 78 N 0.86 1.23 0.14 1.81 2.04 -0.75 0.39 117.51 123.23 2frq h ILE 78 Ca 0.22 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2frq h ILE 78 Cb 0.05 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2frq h ILE 78 CO -0.03 0.27 -0.07 0.40 0.00 0.00 0.00 178.15 178.72 2frq h ILE 79 N 1.08 0.99 -0.58 -0.67 2.04 -0.83 -1.28 117.51 118.25 2frq h ILE 79 Ca 0.27 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2frq h ILE 79 Cb 0.08 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2frq h ILE 79 CO -0.04 0.14 0.39 0.44 0.00 0.00 0.00 178.15 179.08 2frq h ASP 80 N -0.48 0.67 0.94 1.72 3.45 -0.58 -2.34 116.42 119.80 2frq h ASP 80 Ca -0.02 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2frq h ASP 80 Cb 0.38 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2frq h ASP 80 CO 0.03 0.48 0.00 -3.20 -1.57 0.00 0.00 179.24 174.98 2frq n ASN 81 N -4.68 0.55 -1.54 6.45 5.15 0.13 -4.90 115.26 116.42 2frq n ASN 81 Ca 0.04 0.60 -0.14 0.00 -0.60 0.00 0.00 54.58 54.48 2frq n ASN 81 Cb 0.02 -0.73 -0.02 0.00 -0.53 0.00 0.00 39.78 38.52 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 -2.07 -1.13 0.00 1.20 5.02 -0.57 -4.93 118.16 115.69 2frq n LYS 82 Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 2frq n LYS 82 Cb 0.29 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 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 -1.05 2.49 3.05 0.72 0.00 -0.71 -4.88 105.19 104.81 2frq n GLY 83 Ca -0.17 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.02 0.72 -0.61 2.07 -0.69 -4.72 121.20 115.99 2frq s ILE 84 Ca 0.00 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 58.98 2frq s ILE 84 Cb 0.00 -0.27 0.03 0.00 0.13 0.00 0.00 42.46 42.35 2frq s ILE 84 CO 0.00 -0.08 1.11 -1.81 -1.91 0.00 0.00 174.94 172.25 2frq s ASP 85 N -0.23 5.29 0.63 4.50 1.01 -1.26 -1.07 116.67 125.54 2frq s ASP 85 Ca -0.03 1.06 -0.12 0.00 0.71 0.00 0.00 52.55 54.17 2frq s ASP 85 Cb -0.02 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 2frq s ASP 85 CO 0.00 -1.43 1.04 -0.94 0.21 0.00 0.00 175.17 174.05 2frq s SER 86 N -4.40 5.97 0.22 0.27 1.04 -1.01 -1.15 113.70 114.64 2frq s SER 86 Ca 0.59 1.55 -0.07 0.00 0.48 0.00 0.00 55.95 58.49 2frq s SER 86 Cb -0.11 -2.49 0.17 0.00 0.10 0.00 0.00 66.02 63.69 2frq s SER 86 CO 0.51 -1.04 1.76 -0.78 0.98 0.00 0.00 173.24 174.66 2frq h ASP 87 N -0.19 1.06 -0.68 7.02 3.58 -1.26 -1.92 116.42 124.03 2frq h ASP 87 Ca -0.45 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 56.80 2frq h ASP 87 Cb 1.20 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.94 2frq h ASP 87 CO 0.60 0.98 0.40 0.00 -2.88 0.00 0.00 179.24 178.34 2frq h ALA 88 N 1.15 1.41 0.00 -0.78 0.00 -1.93 -1.92 119.26 117.20 2frq h ALA 88 Ca 0.24 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2frq h ALA 88 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2frq h ALA 88 CO -0.01 0.50 -0.67 0.66 0.00 0.00 0.00 179.25 179.73 2frq h SER 89 N 0.96 0.00 -2.20 0.00 4.64 -1.86 -3.39 113.55 111.70 2frq h SER 89 Ca 0.25 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.99 2frq h SER 89 Cb -0.02 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.68 2frq h SER 89 CO -0.04 0.46 -0.99 0.00 -0.87 0.00 0.00 176.83 175.38 2frq n TYR 90 N -3.12 -0.06 -1.57 4.77 4.19 -0.74 -4.99 117.16 115.63 2frq n TYR 90 Ca -0.00 -3.56 -0.36 0.00 3.31 0.00 0.00 57.90 57.29 2frq n TYR 90 Cb 0.73 -0.16 0.08 0.00 0.49 0.00 0.00 39.34 40.48 2frq n TYR 90 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2frq n PRO 91 N 1.90 0.85 -2.76 2.98 -0.04 -0.74 -4.51 135.00 132.67 2frq n PRO 91 Ca 0.25 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 2frq n PRO 91 Cb 0.49 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 2frq n PRO 91 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2frq s TYR 92 N -1.57 3.49 -0.75 0.54 5.04 -1.26 -4.76 117.35 118.07 2frq s TYR 92 Ca 0.79 1.48 0.06 0.00 -2.44 0.00 0.00 57.07 56.97 2frq s TYR 92 Cb -0.37 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 38.90 2frq s TYR 92 CO 0.44 -0.21 0.81 1.63 -1.34 0.00 0.00 175.55 176.88 2frq n LYS 93 N 5.00 0.59 -3.84 4.97 4.76 -1.26 -5.01 118.16 123.37 2frq n LYS 93 Ca 0.07 -1.10 -0.28 0.00 -2.87 0.00 0.00 58.31 54.12 2frq n LYS 93 Cb 0.49 -1.13 0.04 0.00 -1.84 0.00 0.00 35.03 32.58 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 0.30 -1.32 -3.39 7.82 0.00 -1.26 -4.97 120.51 117.69 2frq n ALA 94 Ca 0.04 0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 2frq n ALA 94 Cb 0.21 -4.61 -0.03 0.00 0.00 0.00 0.00 19.45 15.02 2frq n ALA 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2frq s MET 95 N -6.53 1.31 -0.05 0.00 -1.94 -1.26 -4.45 119.30 106.39 2frq s MET 95 Ca 0.62 -0.60 -0.30 0.00 -1.71 0.00 0.00 55.69 53.70 2frq s MET 95 Cb -0.30 0.57 -0.03 0.00 2.01 0.00 0.00 34.83 37.08 2frq s MET 95 CO 0.81 -0.57 1.05 -0.51 -0.01 0.00 0.00 175.02 175.79 2frq s ASP 96 N -2.79 7.23 0.24 3.03 -0.00 -1.26 -4.91 116.67 118.20 2frq s ASP 96 Ca 0.03 1.67 0.03 0.00 -0.00 0.00 0.00 52.55 54.29 2frq s ASP 96 Cb -0.01 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 2frq s ASP 96 CO -0.10 -0.42 0.01 -1.10 -0.00 0.00 0.00 175.17 173.57 2frq s GLN 97 N 1.64 1.36 0.47 8.23 -0.21 -1.26 -5.10 119.66 124.79 2frq s GLN 97 Ca 0.52 -1.69 -0.22 0.00 0.02 0.00 0.00 55.36 53.98 2frq s GLN 97 Cb -0.21 -0.59 -0.07 0.00 1.00 0.00 0.00 33.01 33.14 2frq s GLN 97 CO 0.23 -0.12 1.16 -1.59 -2.12 0.00 0.00 175.29 172.85 2frq s LYS 98 N -3.88 3.68 0.09 2.91 0.00 -1.26 -4.55 119.74 116.73 2frq s LYS 98 Ca 0.30 1.74 -0.31 0.00 0.00 0.00 0.00 55.97 57.70 2frq s LYS 98 Cb 0.06 -2.33 -0.09 0.00 0.00 0.00 0.00 37.83 35.47 2frq s LYS 98 CO 0.09 -0.61 1.71 0.00 0.00 0.00 0.00 175.35 176.55 2frq n GLN 100 N 5.60 1.26 -1.76 0.00 6.02 -1.26 -5.03 117.38 122.21 2frq n GLN 100 Ca 0.16 -2.92 -0.42 0.00 -0.01 0.00 0.00 57.00 53.82 2frq n GLN 100 Cb 0.40 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.91 2.86 -3.70 1.08 9.36 -1.26 -5.01 117.16 119.58 2frq n TYR 101 Ca 0.16 0.40 -0.17 0.00 3.32 0.00 0.00 57.90 61.61 2frq n TYR 101 Cb 0.74 -2.54 -0.16 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 0.06 0.63 0.61 2.98 -1.08 -1.26 -5.02 116.67 113.58 2frq s ASP 102 Ca 0.57 0.17 0.40 0.00 -0.52 0.00 0.00 52.55 53.18 2frq s ASP 102 Cb -0.50 0.04 2.15 0.00 -1.46 0.00 0.00 42.92 43.15 2frq s ASP 102 CO 0.59 -0.21 2.24 0.77 0.52 0.00 0.00 175.17 179.07 2frq h SER 103 N 8.01 0.00 0.72 -0.34 4.64 -1.99 -0.80 113.55 123.80 2frq h SER 103 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2frq h SER 103 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2frq h SER 103 CO 0.26 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.51 2frq n LYS 104 N -2.96 0.18 -0.19 4.77 2.85 -1.26 -2.18 118.16 119.36 2frq n LYS 104 Ca -0.02 0.40 0.06 0.00 -1.05 0.00 0.00 58.31 57.69 2frq n LYS 104 Cb 0.09 -1.83 0.16 0.00 -0.65 0.00 0.00 35.03 32.80 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 -2.16 0.49 -1.71 5.58 0.53 -0.31 -5.03 117.16 114.55 2frq n TYR 105 Ca 0.02 -0.52 -0.43 0.00 -1.02 0.00 0.00 57.90 55.95 2frq n TYR 105 Cb 0.23 -0.04 -0.03 0.00 -1.03 0.00 0.00 39.34 38.46 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 0.46 2.67 -0.00 -0.72 0.63 -0.93 -2.40 116.66 116.37 2frq n ARG 106 Ca 0.12 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 2frq n ARG 106 Cb 0.45 -2.79 -0.00 0.00 0.45 0.00 0.00 32.46 30.57 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 3.81 2.01 -3.57 5.13 0.00 -0.23 -4.83 120.51 122.83 2frq n ALA 107 Ca 0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 2frq n ALA 107 Cb 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.09 -1.57 0.27 0.00 0.00 -1.16 -5.00 121.76 113.23 2frq s ALA 108 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.35 2frq s ALA 108 Cb 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 2frq s ALA 108 CO 0.00 -0.84 0.11 0.95 0.00 0.00 0.00 175.76 175.98 2frq s THR 109 N -3.61 0.52 -0.05 0.00 -4.23 -1.26 -1.70 115.64 105.31 2frq s THR 109 Ca 0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2frq s THR 109 Cb -0.02 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2frq s THR 109 CO -0.06 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.14 2frq n SER 111 N 3.26 1.54 -3.65 0.00 3.41 -0.32 -4.26 113.62 113.61 2frq n SER 111 Ca -0.15 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.49 2frq n SER 111 Cb 0.58 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 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 -2.96 0.11 0.07 4.33 -2.85 -1.24 -5.04 119.74 112.17 2frq s LYS 112 Ca -0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 55.97 54.80 2frq s LYS 112 Cb 0.09 0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.87 2frq s LYS 112 CO 0.62 -0.05 0.08 1.52 0.10 0.00 0.00 175.35 177.62 2frq s TYR 113 N -2.09 0.33 -0.03 1.78 -0.85 -1.26 -1.28 117.35 113.94 2frq s TYR 113 Ca 0.18 -0.81 0.03 0.00 -0.52 0.00 0.00 57.07 55.96 2frq s TYR 113 Cb 0.06 -0.22 -0.00 0.00 0.38 0.00 0.00 41.96 42.18 2frq s TYR 113 CO -0.05 -0.46 -0.13 0.99 -1.52 0.00 0.00 175.55 174.38 2frq s THR 114 N -3.82 1.09 -0.20 -3.49 2.01 -0.05 -4.97 115.64 106.21 2frq s THR 114 Ca 0.05 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2frq s THR 114 Cb 0.06 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2frq s THR 114 CO -0.10 0.32 0.02 -1.61 -0.69 0.00 0.00 174.62 172.56 2frq s GLU 115 N 0.10 3.68 0.59 4.92 2.02 -1.26 -1.50 118.70 127.25 2frq s GLU 115 Ca -0.03 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 2frq s GLU 115 Cb -0.10 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2frq s GLU 115 CO 0.01 0.03 1.02 -0.51 0.02 0.00 0.00 175.26 175.83 2frq s LEU 116 N 0.99 3.38 0.40 1.80 1.02 -0.09 -5.00 118.68 121.19 2frq s LEU 116 Ca 0.02 1.56 -0.27 0.00 0.02 0.00 0.00 54.13 55.46 2frq s LEU 116 Cb -0.14 -4.50 -0.10 0.00 0.02 0.00 0.00 46.19 41.47 2frq s LEU 116 CO 0.02 -0.91 1.44 -2.16 0.02 0.00 0.00 176.35 174.76 2frq s PRO 117 N -4.62 3.95 0.04 1.29 0.04 -1.26 -4.59 135.00 129.85 2frq s PRO 117 Ca 0.58 2.46 -0.35 0.00 0.04 0.00 0.00 61.00 63.74 2frq s PRO 117 Cb -0.12 -2.84 -0.14 0.00 0.04 0.00 0.00 34.50 31.45 2frq s PRO 117 CO 0.44 -0.62 1.66 0.98 0.04 0.00 0.00 177.00 179.50 2frq n TYR 118 N 0.20 2.18 -1.04 0.56 9.36 -1.26 -3.12 117.16 124.05 2frq n TYR 118 Ca 0.03 0.24 -0.01 0.00 3.32 0.00 0.00 57.90 61.48 2frq n TYR 118 Cb 0.41 -2.55 -0.01 0.00 -0.63 0.00 0.00 39.34 36.56 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 3.67 0.22 3.43 2.98 0.00 0.25 -4.96 105.19 110.78 2frq n GLY 119 Ca 0.20 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.79 3.18 0.48 1.61 1.81 -1.18 -4.81 118.95 118.25 2frq s ARG 120 Ca 0.00 -1.17 0.25 0.00 -1.72 0.00 0.00 55.73 53.10 2frq s ARG 120 Cb 0.00 -4.36 1.16 0.00 -0.45 0.00 0.00 34.95 31.30 2frq s ARG 120 CO 0.00 -1.72 1.94 0.93 -0.68 0.00 0.00 175.30 175.77 2frq h GLU 121 N 9.30 0.00 -0.18 3.54 5.08 -1.91 -2.07 114.58 128.34 2frq h GLU 121 Ca -0.21 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 2frq h GLU 121 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2frq h GLU 121 CO 1.14 0.19 -0.59 0.38 -1.00 0.00 0.00 179.01 179.12 2frq h ASP 122 N 0.00 0.67 -0.14 1.42 -0.00 -1.99 -0.92 116.42 115.45 2frq h ASP 122 Ca -0.00 -0.37 -0.16 0.00 -0.00 0.00 0.00 57.03 56.49 2frq h ASP 122 Cb 0.56 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.69 2frq h ASP 122 CO 0.02 1.11 -0.48 0.58 -0.00 0.00 0.00 179.24 180.47 2frq h VAL 123 N 0.45 1.30 -0.68 4.15 2.07 -1.90 -1.90 116.25 119.74 2frq h VAL 123 Ca -0.00 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.77 2frq h VAL 123 Cb 1.15 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2frq h VAL 123 CO 0.11 0.54 0.16 0.25 0.02 0.00 0.00 177.57 178.65 2frq h LEU 124 N 0.56 1.03 -0.41 2.57 5.85 -1.26 -1.61 115.31 122.04 2frq h LEU 124 Ca 0.03 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2frq h LEU 124 Cb 1.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2frq h LEU 124 CO 0.10 1.00 0.25 0.50 -0.34 0.00 0.00 178.44 179.95 2frq h LYS 125 N 1.01 0.56 -0.85 1.25 3.64 -0.96 -1.20 116.57 120.02 2frq h LYS 125 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2frq h LYS 125 Cb 0.37 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2frq h LYS 125 CO 0.00 0.42 0.55 1.49 -2.27 0.00 0.00 179.45 179.64 2frq h GLU 126 N 0.54 1.12 -0.45 1.90 4.81 -1.05 -1.23 114.58 120.22 2frq h GLU 126 Ca 0.15 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2frq h GLU 126 Cb 0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 2frq h GLU 126 CO -0.03 0.76 -0.05 0.00 -0.73 0.00 0.00 179.01 178.96 2frq h ALA 127 N 1.30 0.62 -0.68 2.92 0.00 -0.95 0.21 119.26 122.67 2frq h ALA 127 Ca 0.31 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2frq h ALA 127 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2frq h ALA 127 CO -0.06 0.46 0.19 0.28 0.00 0.00 0.00 179.25 180.12 2frq h VAL 128 N 0.68 1.25 -0.13 0.00 2.07 -0.96 0.32 116.25 119.48 2frq h VAL 128 Ca 0.12 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.58 2frq h VAL 128 Cb 0.57 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2frq h VAL 128 CO 0.03 0.35 -0.55 0.00 0.02 0.00 0.00 177.57 177.42 2frq h ALA 129 N 1.18 0.24 0.00 1.67 0.00 -1.03 -3.25 119.26 118.07 2frq h ALA 129 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2frq h ALA 129 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2frq h ALA 129 CO -0.00 0.45 -1.60 0.09 0.00 0.00 0.00 179.25 178.19 2frq n ASN 130 N -4.17 0.49 -0.06 0.00 3.02 0.04 -4.73 115.26 109.86 2frq n ASN 130 Ca -0.08 -0.34 -0.11 0.00 -0.03 0.00 0.00 54.58 54.02 2frq n ASN 130 Cb 0.62 1.62 -0.05 0.00 -0.61 0.00 0.00 39.78 41.37 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 -1.96 0.27 0.00 3.52 4.76 0.10 -5.05 118.16 119.80 2frq n LYS 131 Ca -0.01 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2frq n LYS 131 Cb 0.46 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 2.53 0.98 3.65 0.72 0.00 -0.76 -4.95 105.19 107.37 2frq n GLY 131 Ca -0.22 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.02 1.56 -5.10 1.61 -0.02 -1.26 -4.00 135.00 127.76 2frq n PRO 131 Ca 0.00 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2frq n PRO 131 Cb 0.00 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.13 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 -1.25 1.87 0.13 -1.45 1.01 -0.52 -4.81 120.40 115.38 2frq s VAL 131 Ca 0.63 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2frq s VAL 131 Cb -0.53 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2frq s VAL 131 CO 0.57 0.52 1.16 -0.44 0.00 0.00 0.00 175.10 176.91 2frq s SER 131 N 0.23 7.14 0.17 3.32 0.01 0.18 -1.10 113.70 123.64 2frq s SER 131 Ca -0.13 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.20 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 -0.36 0.15 0.68 0.41 0.00 0.00 173.24 174.18 2frq s VAL 132 N 0.31 0.05 -0.00 3.43 -7.23 -0.63 -0.94 120.40 115.39 2frq s VAL 132 Ca 0.54 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.95 2frq s VAL 132 Cb -0.30 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2frq s VAL 132 CO 0.33 -0.25 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.88 2frq s GLY 133 N -3.07 1.52 0.10 2.32 0.00 -1.26 -0.79 107.32 106.14 2frq s GLY 133 Ca 0.28 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.93 2frq s GLY 133 CO 0.05 -0.93 -0.07 -1.34 0.00 0.00 0.00 173.10 170.81 2frq s VAL 134 N -0.81 0.77 -0.65 1.40 -7.23 0.25 -3.95 120.40 110.17 2frq s VAL 134 Ca 0.13 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 2frq s VAL 134 Cb -0.10 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.27 2frq s VAL 134 CO 0.03 -0.81 1.03 -0.62 -0.31 0.00 0.00 175.10 174.42 2frq s ASP 135 N -2.94 6.21 -0.24 4.85 2.15 0.10 -1.47 116.67 125.33 2frq s ASP 135 Ca 0.11 -0.72 0.12 0.00 0.43 0.00 0.00 52.55 52.49 2frq s ASP 135 Cb 0.03 -2.45 0.51 0.00 -0.30 0.00 0.00 42.92 40.72 2frq s ASP 135 CO -0.03 -1.48 1.45 0.00 -0.17 0.00 0.00 175.17 174.94 2frq n ALA 136 N 8.01 3.73 0.58 3.66 0.00 -1.26 -4.67 120.51 130.55 2frq n ALA 136 Ca -0.01 -2.76 0.13 0.00 0.00 0.00 0.00 53.44 50.79 2frq n ALA 136 Cb 0.47 -0.74 0.35 0.00 0.00 0.00 0.00 19.45 19.53 2frq n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2frq h ARG 137 N 1.30 0.00 -6.55 0.00 3.08 -1.95 -3.45 114.38 106.81 2frq h ARG 137 Ca 0.14 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.67 2frq h ARG 137 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.62 2frq h ARG 137 CO 0.33 0.00 0.31 -1.01 -1.07 0.00 0.00 179.97 178.53 2frq s HIS 138 N -3.12 3.84 0.38 3.04 3.76 -1.26 -4.95 115.29 116.98 2frq s HIS 138 Ca 0.10 1.75 0.21 0.00 -0.15 0.00 0.00 55.06 56.96 2frq s HIS 138 Cb 0.12 -2.98 1.23 0.00 1.11 0.00 0.00 32.58 32.06 2frq s HIS 138 CO 0.62 0.29 1.65 -1.35 -0.85 0.00 0.00 174.74 175.10 2frq h PRO 139 N 5.25 0.22 -0.12 8.40 0.11 -2.02 0.15 132.00 143.99 2frq h PRO 139 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2frq h PRO 139 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2frq h PRO 139 CO 0.70 0.14 0.04 0.66 -0.21 0.00 0.00 178.00 179.34 2frq h SER 140 N 0.22 0.14 -0.15 -2.05 4.64 -1.97 -2.81 113.55 111.57 2frq h SER 140 Ca 0.76 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 62.06 2frq h SER 140 Cb 2.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 2frq h SER 140 CO -0.53 0.14 0.07 0.15 -0.87 0.00 0.00 176.83 175.79 2frq h PHE 141 N 0.16 0.22 -0.04 4.77 3.04 -1.03 -2.00 116.94 122.07 2frq h PHE 141 Ca 0.04 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2frq h PHE 141 Cb 0.05 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 2frq h PHE 141 CO 0.00 0.28 -0.03 0.74 -2.02 0.00 0.00 178.31 177.28 2frq h PHE 142 N 0.10 0.05 -0.17 0.41 0.04 -1.59 -2.54 116.94 113.24 2frq h PHE 142 Ca 0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2frq h PHE 142 Cb 0.15 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2frq h PHE 142 CO -0.02 0.08 0.00 1.28 -0.60 0.00 0.00 178.31 179.05 2frq n LEU 147 N -4.47 2.39 -4.70 1.54 4.77 -1.02 -4.84 117.00 110.67 2frq n LEU 147 Ca -0.02 -0.94 -0.44 0.00 -0.03 0.00 0.00 56.01 54.58 2frq n LEU 147 Cb 0.13 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2frq n LEU 147 CO 0.35 0.47 1.22 0.00 -1.33 0.00 0.00 177.39 178.10 2frq n TYR 148 N 0.82 2.51 0.00 -1.77 4.19 -0.78 -4.89 117.16 117.24 2frq n TYR 148 Ca 0.17 0.23 0.00 0.00 3.31 0.00 0.00 57.90 61.61 2frq n TYR 148 Cb 0.47 -2.58 0.00 0.00 0.49 0.00 0.00 39.34 37.72 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 3.06 0.21 -3.83 2.98 5.12 -1.26 -3.36 116.66 119.58 2frq n ARG 149 Ca 0.14 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.01 2frq n ARG 149 Cb 0.33 -0.97 0.01 0.00 -1.16 0.00 0.00 32.46 30.67 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 -3.87 -0.07 0.00 0.55 1.04 -1.26 -3.90 113.70 106.19 2frq s SER 150 Ca 0.00 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2frq s SER 150 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2frq s SER 150 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2frq n GLY 151 N -0.58 -1.26 3.39 7.32 0.00 -1.26 -4.75 105.19 108.05 2frq n GLY 151 Ca -0.05 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 3.97 -0.04 1.61 1.01 -1.26 -4.30 120.40 121.39 2frq s VAL 152 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2frq s VAL 152 Cb 0.00 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2frq s VAL 152 CO 0.00 0.34 1.44 -0.47 0.00 0.00 0.00 175.10 176.41 2frq s TYR 153 N 1.56 2.63 -0.05 5.22 5.04 0.74 -4.83 117.35 127.65 2frq s TYR 153 Ca 0.06 0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 55.36 2frq s TYR 153 Cb -0.15 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.49 2frq s TYR 153 CO 0.01 -2.68 0.09 -0.47 -1.34 0.00 0.00 175.55 171.16 2frq s TYR 154 N 3.01 -0.01 -0.24 4.97 5.04 -1.26 -1.40 117.35 127.47 2frq s TYR 154 Ca 0.65 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 2frq s TYR 154 Cb -0.30 -0.41 0.06 0.00 0.35 0.00 0.00 41.96 41.66 2frq s TYR 154 CO 0.25 -0.21 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.20 2frq s GLU 155 N 2.14 1.68 0.52 4.97 2.56 -1.26 -5.01 118.70 124.31 2frq s GLU 155 Ca 0.04 -1.04 0.27 0.00 0.00 0.00 0.00 54.97 54.24 2frq s GLU 155 Cb -0.12 -2.63 1.41 0.00 2.00 0.00 0.00 34.13 34.79 2frq s GLU 155 CO -0.04 -0.60 1.94 -1.35 -0.56 0.00 0.00 175.26 174.65 2frq h PRO 155 N 7.93 0.04 -0.02 4.30 0.11 -2.05 -0.12 132.00 142.19 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 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2frq h PRO 155 CO 0.42 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 2frq n SER 155 N -4.34 0.76 -4.75 -2.05 3.41 -1.26 -4.91 113.62 100.48 2frq n SER 155 Ca 0.14 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.14 2frq n SER 155 Cb 0.76 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.77 2frq n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2frq s THR 155 N -2.24 0.51 -1.45 0.00 -4.23 -1.26 -4.78 115.64 102.20 2frq s THR 155 Ca 0.69 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 2frq s THR 155 Cb -0.23 -2.45 0.53 0.00 1.34 0.00 0.00 72.50 71.68 2frq s THR 155 CO 0.44 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.93 2frq n GLN 155 N -0.76 2.85 -3.13 3.99 3.00 -1.26 -2.99 117.38 119.08 2frq n GLN 155 Ca -0.02 -2.11 -0.45 0.00 -0.01 0.00 0.00 57.00 54.41 2frq n GLN 155 Cb 0.65 -1.65 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 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 -0.85 6.45 0.46 1.08 0.01 -1.26 -4.73 114.94 116.10 2frq s ASN 156 Ca 0.38 -1.94 -0.20 0.00 -0.71 0.00 0.00 52.86 50.39 2frq s ASN 156 Cb 0.23 -2.30 -0.10 0.00 0.41 0.00 0.00 41.25 39.50 2frq s ASN 156 CO 0.20 -0.95 0.99 0.68 -1.51 0.00 0.00 177.10 176.52 2frq s VAL 157 N 1.95 4.13 0.00 1.60 -7.23 -1.26 -4.48 120.40 115.11 2frq s VAL 157 Ca 0.18 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 2frq s VAL 157 Cb -0.16 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.24 2frq s VAL 157 CO -0.02 -0.31 0.00 -0.46 -0.31 0.00 0.00 175.10 174.00 2frq n ASN 158 N -0.87 0.00 -4.02 4.85 6.94 -0.59 -4.90 115.26 116.68 2frq n ASN 158 Ca 0.08 -0.08 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 2frq n ASN 158 Cb 0.53 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 1.84 -0.14 -2.53 5.04 -0.54 -4.96 115.29 114.00 2frq s HIS 159 Ca 0.00 -0.88 -0.24 0.00 -1.54 0.00 0.00 55.06 52.40 2frq s HIS 159 Cb 0.00 -1.36 -0.02 0.00 0.04 0.00 0.00 32.58 31.23 2frq s HIS 159 CO 0.00 -0.49 0.75 0.20 -2.34 0.00 0.00 174.74 172.86 2frq s GLY 160 N 1.15 2.27 0.12 1.59 0.00 -1.26 -0.59 107.32 110.61 2frq s GLY 160 Ca -0.04 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2frq s GLY 160 CO -0.03 1.43 0.09 3.33 0.00 0.00 0.00 173.10 177.92 2frq n VAL 161 N 4.41 0.00 -4.19 1.40 0.24 0.02 -4.48 118.33 115.73 2frq n VAL 161 Ca 0.01 -0.86 -0.25 0.00 -2.04 0.00 0.00 64.34 61.20 2frq n VAL 161 Cb 0.50 0.41 -0.17 0.00 -1.47 0.00 0.00 33.84 33.11 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 1.36 -0.36 1.34 2.96 -0.91 -1.60 118.68 121.46 2frq s LEU 168 Ca 0.13 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.53 2frq s LEU 168 Cb 0.01 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.92 2frq s LEU 168 CO 0.09 -0.06 0.79 -0.69 -1.32 0.00 0.00 176.35 175.17 2frq s VAL 169 N 1.24 4.72 -1.29 1.68 1.01 -0.26 -0.00 120.40 127.50 2frq s VAL 169 Ca -0.04 0.91 0.14 0.00 0.00 0.00 0.00 61.98 62.98 2frq s VAL 169 Cb -0.14 -4.22 0.34 0.00 0.00 0.00 0.00 36.38 32.36 2frq s VAL 169 CO -0.03 -0.44 1.25 1.33 0.00 0.00 0.00 175.10 177.22 2frq n VAL 170 N 5.80 0.82 -2.00 2.92 0.24 -0.12 -1.44 118.33 124.54 2frq n VAL 170 Ca 0.03 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 2frq n VAL 170 Cb 0.48 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 0.79 -1.57 3.58 7.63 0.00 -1.21 -1.03 105.19 113.39 2frq n GLY 171 Ca 0.14 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.58 -0.32 -1.58 1.61 -0.85 0.07 -0.83 117.35 112.86 2frq s TYR 172 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 2frq s TYR 172 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 2frq s TYR 172 CO 0.00 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 2frq n GLY 173 N -0.36 -0.69 3.01 5.49 0.00 -0.81 -0.93 105.19 110.91 2frq n GLY 173 Ca -0.10 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.14 -0.19 1.61 1.47 -1.26 -0.91 116.67 113.25 2frq s ASP 174 Ca 0.00 0.27 -0.01 0.00 1.18 0.00 0.00 52.55 53.99 2frq s ASP 174 Cb 0.00 0.28 0.05 0.00 -0.34 0.00 0.00 42.92 42.91 2frq s ASP 174 CO 0.00 -0.05 -0.01 -0.22 0.68 0.00 0.00 175.17 175.58 2frq s LEU 174 N 0.07 1.55 -1.36 2.11 2.96 0.04 -4.86 118.68 119.18 2frq s LEU 174 Ca -0.00 -0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 2frq s LEU 174 Cb -0.01 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.91 2frq s LEU 174 CO 0.00 -0.26 0.72 0.59 -1.32 0.00 0.00 176.35 176.09 2frq n ASN 174 N 4.93 -1.76 0.00 3.68 3.02 -1.26 -1.95 115.26 121.92 2frq n ASN 174 Ca -0.10 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2frq n ASN 174 Cb 0.47 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 2frq n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2frq n GLY 174 N -1.64 1.23 3.27 7.41 0.00 -1.26 -5.02 105.19 109.18 2frq n GLY 174 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2frq n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2frq s LYS 174 N -0.22 3.20 0.38 1.61 -0.14 -0.82 -5.10 119.74 118.66 2frq s LYS 174 Ca 0.00 -0.74 -0.25 0.00 -1.36 0.00 0.00 55.97 53.63 2frq s LYS 174 Cb 0.00 -2.98 -0.09 0.00 -1.68 0.00 0.00 37.83 33.08 2frq s LYS 174 CO 0.00 -0.26 1.07 -1.21 -0.76 0.00 0.00 175.35 174.19 2frq s GLU 174 N 1.43 4.20 0.19 1.68 2.02 -1.26 -0.78 118.70 126.18 2frq s GLU 174 Ca 0.04 1.59 -0.09 0.00 0.02 0.00 0.00 54.97 56.53 2frq s GLU 174 Cb -0.15 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 2frq s GLU 174 CO -0.04 -0.13 0.32 1.52 0.02 0.00 0.00 175.26 176.95 2frq s TYR 174 N -1.56 0.45 -0.12 1.61 -0.85 -0.08 -1.41 117.35 115.39 2frq s TYR 174 Ca 0.56 -0.80 -0.01 0.00 -0.52 0.00 0.00 57.07 56.30 2frq s TYR 174 Cb -0.24 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.04 2frq s TYR 174 CO 0.31 -0.78 -0.09 -1.58 -1.52 0.00 0.00 175.55 171.89 2frq s TRP 174 N -4.00 2.90 -0.38 -3.49 0.52 0.10 -1.93 118.94 112.67 2frq s TRP 174 Ca 0.20 -0.37 -0.23 0.00 0.02 0.00 0.00 56.10 55.72 2frq s TRP 174 Cb 0.03 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2frq s TRP 174 CO 0.03 -0.03 0.77 -1.17 0.02 0.00 0.00 176.95 176.57 2frq s LEU 174 N 0.09 4.16 -0.15 2.99 2.96 -0.01 -0.97 118.68 127.76 2frq s LEU 174 Ca -0.03 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2frq s LEU 174 Cb -0.14 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2frq s LEU 174 CO 0.04 -0.76 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.54 2frq s VAL 174 N 3.11 3.49 -0.28 1.68 1.01 -0.40 -0.95 120.40 128.06 2frq s VAL 174 Ca 0.30 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2frq s VAL 174 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2frq s VAL 174 CO 0.18 0.50 0.42 -0.75 0.00 0.00 0.00 175.10 175.45 2frq s LYS 174 N 0.48 3.97 0.60 2.72 2.20 0.99 -1.32 119.74 129.40 2frq s LYS 174 Ca -0.06 0.08 0.07 0.00 -0.36 0.00 0.00 55.97 55.70 2frq s LYS 174 Cb -0.15 -3.68 0.09 0.00 -1.51 0.00 0.00 37.83 32.59 2frq s LYS 174 CO 0.03 -0.34 0.83 1.21 -0.36 0.00 0.00 175.35 176.73 2frq s ASN 175 N 1.63 4.93 -0.31 1.43 2.47 -0.77 -2.14 114.94 122.18 2frq s ASN 175 Ca 0.17 -0.71 0.13 0.00 0.42 0.00 0.00 52.86 52.87 2frq s ASN 175 Cb -0.16 0.18 0.47 0.00 -1.45 0.00 0.00 41.25 40.29 2frq s ASN 175 CO 0.10 -1.45 1.12 -1.54 -3.72 0.00 0.00 177.10 171.61 2frq n SER 176 N -2.38 3.45 -1.02 -4.21 3.41 -1.26 -4.52 113.62 107.09 2frq n SER 176 Ca 0.15 -3.09 -0.01 0.00 -0.26 0.00 0.00 58.87 55.66 2frq n SER 176 Cb 0.61 -0.43 0.20 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.56 0.88 0.00 7.33 8.01 -1.18 -1.04 117.44 130.87 2frq n TRP 177 Ca 0.28 -1.51 0.00 0.00 -1.31 0.00 0.00 57.50 54.95 2frq n TRP 177 Cb 0.85 -0.43 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 -1.09 -1.56 0.16 6.99 0.00 -0.26 -4.13 105.19 105.29 2frq n GLY 188 Ca 0.30 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.88 2frq n GLY 188 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2frq h HIS 189 N 0.00 0.00 0.00 1.61 2.07 -1.83 -2.85 115.15 114.14 2frq h HIS 189 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2frq h HIS 189 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2frq h HIS 189 CO 0.00 0.00 -0.18 -0.97 -3.07 0.00 0.00 177.93 173.71 2frq h ASN 190 N 0.00 0.00 -3.75 3.10 -1.24 -1.89 -2.74 115.58 109.06 2frq h ASN 190 Ca 0.00 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.51 2frq h ASN 190 Cb 0.43 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 2frq h ASN 190 CO 0.00 0.18 0.42 0.12 -1.29 0.00 0.00 177.43 176.86 2frq s PHE 191 N -3.72 3.76 0.00 0.67 2.19 -1.08 -4.83 117.98 114.97 2frq s PHE 191 Ca 0.00 1.78 0.00 0.00 0.33 0.00 0.00 56.93 59.04 2frq s PHE 191 Cb 0.10 -3.15 0.00 0.00 -1.31 0.00 0.00 43.02 38.66 2frq s PHE 191 CO 0.62 -0.12 0.00 0.41 1.83 0.00 0.00 175.22 177.96 2frq n GLY 192 N 1.45 2.65 3.37 13.12 0.00 -1.21 0.48 105.19 125.05 2frq n GLY 192 Ca -0.01 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 2frq n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2frq s GLU 193 N 0.00 3.82 -1.50 1.61 2.02 0.07 -4.49 118.70 120.23 2frq s GLU 193 Ca 0.00 -2.56 -0.06 0.00 0.02 0.00 0.00 54.97 52.37 2frq s GLU 193 Cb 0.00 -4.62 0.01 0.00 0.10 0.00 0.00 34.13 29.63 2frq s GLU 193 CO 0.00 -1.41 0.76 0.39 0.02 0.00 0.00 175.26 175.01 2frq n GLU 194 N 4.26 -5.60 -0.02 1.61 -0.58 -1.22 -2.05 120.64 117.05 2frq n GLU 194 Ca 0.21 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 2frq n GLU 194 Cb 0.45 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.56 2frq n GLU 194 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2frq n GLY 195 N -1.63 0.30 3.69 0.62 0.00 0.18 -4.63 105.19 103.72 2frq n GLY 195 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 2.82 -0.05 1.61 1.51 -0.87 -1.85 117.35 118.43 2frq s TYR 196 Ca 0.00 -0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2frq s TYR 196 Cb 0.00 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2frq s TYR 196 CO 0.00 0.58 0.11 -1.50 -1.11 0.00 0.00 175.55 173.63 2frq s ILE 197 N -2.20 -0.05 -0.26 2.71 2.07 -0.43 -0.75 121.20 122.29 2frq s ILE 197 Ca 0.31 0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 59.54 2frq s ILE 197 Cb -0.07 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 2frq s ILE 197 CO 0.21 0.07 0.57 -0.13 -1.91 0.00 0.00 174.94 173.75 2frq s ARG 198 N 1.06 4.09 -0.04 3.50 0.52 -1.26 -1.28 118.95 125.54 2frq s ARG 198 Ca -0.08 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.57 2frq s ARG 198 Cb -0.11 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 2frq s ARG 198 CO -0.05 -0.38 -0.08 -1.64 0.02 0.00 0.00 175.30 173.18 2frq s MET 199 N 2.39 2.64 0.02 3.54 -1.94 -0.14 -0.19 119.30 125.62 2frq s MET 199 Ca 0.23 -0.64 -0.38 0.00 -1.71 0.00 0.00 55.69 53.20 2frq s MET 199 Cb -0.16 -2.53 -0.17 0.00 2.01 0.00 0.00 34.83 33.98 2frq s MET 199 CO 0.09 0.64 1.34 0.00 -0.01 0.00 0.00 175.02 177.07 2frq n ALA 200 N 1.97 -1.41 -2.55 3.03 0.00 -0.49 0.03 120.51 121.09 2frq n ALA 200 Ca -0.17 0.52 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 2frq n ALA 200 Cb 0.53 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 2.49 -1.41 0.00 3.52 -0.50 -4.57 118.95 119.24 2frq s ARG 201 Ca 0.88 -0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 2frq s ARG 201 Cb -1.04 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2frq s ARG 201 CO 0.51 0.60 1.07 0.09 -0.81 0.00 0.00 175.30 176.77 2frq n ASN 202 N 1.75 -6.14 -2.62 -2.12 3.02 -1.26 -4.60 115.26 103.29 2frq n ASN 202 Ca -0.16 -0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 53.60 2frq n ASN 202 Cb 0.52 -4.86 -0.01 0.00 -0.61 0.00 0.00 39.78 34.83 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 -4.83 3.19 -3.25 3.52 4.76 -1.26 -4.91 118.16 115.38 2frq n LYS 203 Ca -0.00 -4.49 -0.16 0.00 -2.87 0.00 0.00 58.31 50.78 2frq n LYS 203 Cb 0.56 -2.17 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 -0.38 -0.23 3.69 0.72 0.00 -1.26 -3.26 105.19 104.47 2frq n GLY 203 Ca 0.35 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.37 -4.68 1.61 5.15 -1.26 -4.83 115.26 105.41 2frq n ASN 203 Ca -0.13 -0.92 -0.45 0.00 -0.60 0.00 0.00 54.58 52.47 2frq n ASN 203 Cb 0.60 -3.72 -0.04 0.00 -0.53 0.00 0.00 39.78 36.09 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 -4.15 2.39 -1.52 1.20 -0.00 -1.20 -1.26 115.22 110.68 2frq n HIS 203 Ca -0.19 0.14 -0.18 0.00 -0.00 0.00 0.00 57.72 57.49 2frq n HIS 203 Cb 0.64 -2.61 -0.08 0.00 -0.00 0.00 0.00 29.99 27.94 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 -0.21 1.11 0.38 0.00 0.00 -0.39 -0.72 105.19 105.35 2frq n GLY 203 Ca -0.18 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.78 -0.68 -0.61 2.10 -1.61 -0.17 117.51 117.32 2frq h ILE 203 Ca -0.30 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2frq h ILE 203 Cb 0.99 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 2frq h ILE 203 CO 0.41 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.52 2frq n ALA 203 N -2.59 2.41 0.16 0.18 0.00 -1.26 -4.50 120.51 114.90 2frq n ALA 203 Ca 0.11 -1.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.10 2frq n ALA 203 Cb 0.55 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 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 3.97 -0.32 -2.25 0.00 0.02 -1.30 0.72 113.55 114.39 2frq h SER 204 Ca 0.00 -0.12 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 2frq h SER 204 Cb 1.00 0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 2frq h SER 204 CO 0.02 -0.06 -0.86 0.49 -1.14 0.00 0.00 176.83 175.28 2frq n PHE 205 N -5.17 1.29 -3.34 3.45 3.01 -1.26 -3.87 117.46 111.57 2frq n PHE 205 Ca -0.10 -3.81 -0.36 0.00 1.01 0.00 0.00 57.45 54.20 2frq n PHE 205 Cb 0.23 -0.35 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 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 -1.44 4.02 0.01 -1.08 0.02 -1.26 -4.02 135.00 131.25 2frq s PRO 206 Ca 0.35 0.54 -0.19 0.00 0.02 0.00 0.00 61.00 61.73 2frq s PRO 206 Cb 0.12 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.69 2frq s PRO 206 CO -0.10 0.50 0.42 -1.54 -0.33 0.00 0.00 177.00 175.95 2frq s SER 207 N -1.61 -0.31 -0.05 2.53 1.04 -0.12 -0.91 113.70 114.28 2frq s SER 207 Ca 0.36 0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.85 2frq s SER 207 Cb -0.16 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2frq s SER 207 CO 0.19 -0.58 0.21 -0.72 0.98 0.00 0.00 173.24 173.33 2frq s TYR 215 N -1.85 -0.16 0.47 5.02 1.13 -0.56 -0.65 117.35 120.75 2frq s TYR 215 Ca -0.09 0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.94 2frq s TYR 215 Cb -0.02 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 2frq s TYR 215 CO 0.02 -0.20 0.68 -1.25 -2.51 0.00 0.00 175.55 172.29 2frq s PRO 216 N -0.49 2.87 0.04 -3.49 0.04 -1.26 -0.87 135.00 131.84 2frq s PRO 216 Ca -0.06 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2frq s PRO 216 Cb -0.04 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 2frq s PRO 216 CO 0.01 -0.40 -0.04 -1.21 0.04 0.00 0.00 177.00 175.40 2frq s GLU 217 N -4.58 0.48 0.00 4.56 2.02 -0.41 -4.94 118.70 115.84 2frq s GLU 217 Ca 0.52 -0.89 0.10 0.00 0.02 0.00 0.00 54.97 54.72 2frq s GLU 217 Cb -0.10 0.05 0.08 0.00 0.10 0.00 0.00 34.13 34.26 2frq s GLU 217 CO 0.37 -0.05 0.82 -0.89 0.02 0.00 0.00 175.26 175.53