#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0l s PRO -3 N 0.00 3.64 -0.19 1.61 0.05 -1.26 -5.10 135.00 133.74 1o0l s PRO -3 Ca 0.00 0.25 -0.10 0.00 0.05 0.00 0.00 61.00 61.20 1o0l s PRO -3 Cb 0.00 -2.43 0.07 0.00 0.05 0.00 0.00 34.50 32.19 1o0l s PRO -3 CO 0.00 -0.07 0.46 -0.51 0.05 0.00 0.00 177.00 176.92 1o0l s LEU -2 N -4.25 -0.34 0.00 -3.56 1.43 -1.26 -5.15 118.68 105.56 1o0l s LEU -2 Ca 0.48 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1o0l s LEU -2 Cb -0.10 1.52 0.00 0.00 0.03 0.00 0.00 46.19 47.64 1o0l s LEU -2 CO 0.38 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1o0l n GLY -1 N 4.49 -0.97 3.75 -3.19 0.00 -1.26 -5.15 105.19 102.87 1o0l n GLY -1 Ca -0.20 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1o0l n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o0l s SER 0 N -4.00 4.64 -0.03 1.61 0.01 -1.26 -4.99 113.70 109.68 1o0l s SER 0 Ca 0.00 2.02 -0.00 0.00 1.31 0.00 0.00 55.95 59.28 1o0l s SER 0 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1o0l s SER 0 CO 0.00 -1.95 -0.03 0.23 0.41 0.00 0.00 173.24 171.90 1o0l n MET 1 N -2.89 0.08 -3.81 12.44 2.81 -1.26 -5.08 117.12 119.42 1o0l n MET 1 Ca 0.11 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 1o0l n MET 1 Cb 0.52 -0.99 -0.09 0.00 -0.71 0.00 0.00 33.22 31.95 1o0l n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1o0l s ALA 2 N -2.06 -0.59 -0.01 3.04 0.00 -1.26 -5.16 121.76 115.70 1o0l s ALA 2 Ca -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1o0l s ALA 2 Cb 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1o0l s ALA 2 CO 0.07 -0.24 0.07 0.95 0.00 0.00 0.00 175.76 176.62 1o0l s THR 3 N -1.31 4.69 -1.20 0.00 -4.23 -1.26 -5.04 115.64 107.28 1o0l s THR 3 Ca -0.14 -0.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.81 1o0l s THR 3 Cb -0.06 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.76 1o0l s THR 3 CO 0.03 0.38 1.54 -2.16 -0.54 0.00 0.00 174.62 173.87 1o0l s PRO 4 N -1.65 3.94 -0.03 3.99 0.05 -1.26 -4.82 135.00 135.22 1o0l s PRO 4 Ca 0.22 -2.07 -0.19 0.00 0.05 0.00 0.00 61.00 59.00 1o0l s PRO 4 Cb -0.12 -5.29 -0.13 0.00 0.05 0.00 0.00 34.50 29.01 1o0l s PRO 4 CO 0.13 -2.04 0.83 0.00 0.05 0.00 0.00 177.00 175.97 1o0l h ALA 5 N 7.82 -0.43 -2.70 8.56 0.00 -2.08 -3.45 119.26 126.98 1o0l h ALA 5 Ca 0.35 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.59 1o0l h ALA 5 Cb 0.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1o0l h ALA 5 CO 1.35 -0.46 0.42 -1.12 0.00 0.00 0.00 179.25 179.43 1o0l s SER 6 N -5.12 7.29 -0.03 0.00 0.01 -1.26 -5.06 113.70 109.53 1o0l s SER 6 Ca -0.11 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.22 1o0l s SER 6 Cb 0.01 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1o0l s SER 6 CO 0.38 -0.11 0.08 0.00 0.41 0.00 0.00 173.24 174.00 1o0l s ALA 7 N -1.30 -0.19 -1.08 1.44 0.00 -1.26 -5.06 121.76 114.30 1o0l s ALA 7 Ca 0.46 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1o0l s ALA 7 Cb -0.27 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 1o0l s ALA 7 CO 0.35 -0.05 2.79 -2.30 0.00 0.00 0.00 175.76 176.54 1o0l n PRO 8 N 3.16 2.84 -0.01 0.00 -0.02 -1.26 -4.61 135.00 135.10 1o0l n PRO 8 Ca -0.14 -1.71 0.00 0.00 -2.02 0.00 0.00 63.50 59.64 1o0l n PRO 8 Cb 0.59 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1o0l n PRO 8 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1o0l n ASP 9 N 3.52 0.00 -0.28 2.55 -0.08 -1.26 -4.71 116.55 116.30 1o0l n ASP 9 Ca 0.61 -0.03 0.05 0.00 -1.51 0.00 0.00 54.79 53.91 1o0l n ASP 9 Cb 0.33 0.00 0.19 0.00 2.34 0.00 0.00 41.12 43.98 1o0l n ASP 9 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1o0l h THR 10 N -0.01 0.76 -0.77 5.18 1.35 -1.98 0.86 112.91 118.30 1o0l h THR 10 Ca 0.00 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1o0l h THR 10 Cb 0.00 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.49 1o0l h THR 10 CO 0.00 0.11 0.44 -0.09 -0.25 0.00 0.00 175.52 175.73 1o0l h ARG 11 N 0.61 1.06 -0.01 4.72 2.43 -1.93 0.56 114.38 121.82 1o0l h ARG 11 Ca 0.42 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 59.27 1o0l h ARG 11 Cb 0.55 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1o0l h ARG 11 CO -0.34 0.76 -0.90 0.00 -1.51 0.00 0.00 179.97 177.98 1o0l h ALA 12 N 1.41 0.43 -0.16 2.80 0.00 -1.53 -2.50 119.26 119.71 1o0l h ALA 12 Ca 0.27 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1o0l h ALA 12 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1o0l h ALA 12 CO -0.05 0.84 -0.47 1.25 0.00 0.00 0.00 179.25 180.82 1o0l h LEU 13 N 0.20 0.70 -0.95 0.00 5.85 -0.24 -1.58 115.31 119.28 1o0l h LEU 13 Ca -0.07 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 57.99 1o0l h LEU 13 Cb 1.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1o0l h LEU 13 CO 0.15 1.16 -0.11 1.62 -0.34 0.00 0.00 178.44 180.92 1o0l h VAL 14 N 0.27 1.24 0.00 1.05 3.04 0.04 -1.44 116.25 120.45 1o0l h VAL 14 Ca -0.01 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.53 1o0l h VAL 14 Cb 1.09 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1o0l h VAL 14 CO 0.10 0.37 -0.25 0.00 -1.01 0.00 0.00 177.57 176.77 1o0l h ALA 15 N 1.30 1.00 0.08 3.17 0.00 -1.42 -2.47 119.26 120.93 1o0l h ALA 15 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1o0l h ALA 15 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1o0l h ALA 15 CO 0.03 0.32 -0.04 0.22 0.00 0.00 0.00 179.25 179.78 1o0l h ASP 16 N 0.00 -0.10 0.05 0.00 3.58 -0.40 -1.00 116.42 118.55 1o0l h ASP 16 Ca -0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1o0l h ASP 16 Cb 0.79 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.83 1o0l h ASP 16 CO 0.03 0.06 -0.23 0.15 -2.88 0.00 0.00 179.24 176.37 1o0l h PHE 17 N -0.38 -0.62 -0.42 0.28 3.57 -1.40 0.50 116.94 118.48 1o0l h PHE 17 Ca -0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1o0l h PHE 17 Cb 0.09 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1o0l h PHE 17 CO 0.04 -0.33 -0.16 0.28 -2.23 0.00 0.00 178.31 175.91 1o0l h VAL 18 N -0.39 1.26 0.16 1.41 2.07 -1.63 -0.36 116.25 118.77 1o0l h VAL 18 Ca 0.05 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1o0l h VAL 18 Cb 0.45 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1o0l h VAL 18 CO -0.18 0.43 -0.08 1.23 0.02 0.00 0.00 177.57 178.99 1o0l h GLY 19 N 0.97 -0.22 0.90 2.17 0.00 -0.66 -1.09 103.07 105.13 1o0l h GLY 19 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1o0l h GLY 19 CO 0.05 -0.08 0.09 -1.82 0.00 0.00 0.00 176.54 174.78 1o0l h TYR 20 N -0.35 0.36 -0.80 5.60 3.20 0.04 0.41 116.97 125.44 1o0l h TYR 20 Ca -0.02 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1o0l h TYR 20 Cb 0.27 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1o0l h TYR 20 CO -0.03 0.39 0.52 -0.22 -1.64 0.00 0.00 178.16 177.18 1o0l h LYS 21 N 0.23 0.87 0.04 1.82 3.11 -1.04 0.26 116.57 121.86 1o0l h LYS 21 Ca 0.08 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 1o0l h LYS 21 Cb 0.18 -0.20 0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1o0l h LYS 21 CO -0.01 0.57 -0.35 -0.07 -2.81 0.00 0.00 179.45 176.79 1o0l h LEU 22 N 0.89 0.23 -2.26 5.20 4.07 -0.97 -3.19 115.31 119.29 1o0l h LEU 22 Ca 0.34 -0.90 0.01 0.00 0.08 0.00 0.00 57.88 57.41 1o0l h LEU 22 Cb 0.18 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1o0l h LEU 22 CO -0.11 1.12 0.04 -0.09 -1.08 0.00 0.00 178.44 178.32 1o0l h ARG 23 N -0.61 0.00 0.00 1.13 2.43 0.26 0.60 114.38 118.19 1o0l h ARG 23 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1o0l h ARG 23 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1o0l h ARG 23 CO 0.07 0.00 -0.31 0.00 -1.51 0.00 0.00 179.97 178.21 1o0l n GLN 24 N -4.11 0.06 0.07 0.20 10.64 0.88 -3.41 117.38 121.71 1o0l n GLN 24 Ca -0.02 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1o0l n GLN 24 Cb 0.14 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 1o0l n GLN 24 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1o0l n LYS 25 N -1.65 0.00 -0.06 2.61 4.81 -0.36 -4.98 118.16 118.52 1o0l n LYS 25 Ca 0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.39 1o0l n LYS 25 Cb 0.36 -0.20 -0.03 0.00 0.02 0.00 0.00 35.03 35.18 1o0l n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o0l n GLY 26 N 2.21 -0.38 1.84 3.14 0.00 0.15 -4.64 105.19 107.50 1o0l n GLY 26 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1o0l n GLY 26 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1o0l n TYR 27 N -4.12 0.00 0.08 1.61 9.36 0.16 -4.25 117.16 120.01 1o0l n TYR 27 Ca -0.18 -1.19 -0.09 0.00 3.32 0.00 0.00 57.90 59.76 1o0l n TYR 27 Cb 0.48 -1.10 -0.06 0.00 -0.63 0.00 0.00 39.34 38.03 1o0l n TYR 27 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1o0l h VAL 28 N 1.69 1.58 -0.45 2.97 3.04 -1.66 -3.20 116.25 120.22 1o0l h VAL 28 Ca 0.11 -2.98 -0.13 0.00 -1.01 0.00 0.00 66.70 62.69 1o0l h VAL 28 Cb 1.20 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 33.16 1o0l h VAL 28 CO 0.15 0.86 -0.22 0.00 -1.01 0.00 0.00 177.57 177.36 1o0l n GLY 30 N -0.16 5.01 3.60 0.00 0.00 -1.21 -4.95 105.19 107.49 1o0l n GLY 30 Ca 0.00 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1o0l n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0l s ALA 31 N -1.03 2.76 0.14 4.61 0.00 -1.20 -4.36 121.76 122.67 1o0l s ALA 31 Ca 0.56 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1o0l s ALA 31 Cb 0.22 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1o0l s ALA 31 CO -0.11 -2.77 0.00 0.41 0.00 0.00 0.00 175.76 173.29 1o0l n GLY 32 N 5.64 -1.25 0.07 0.00 0.00 -1.26 -4.95 105.19 103.43 1o0l n GLY 32 Ca 0.27 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 1o0l n GLY 32 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1o0l h PRO 33 N 0.00 -0.08 -0.97 1.61 0.11 -1.86 -2.53 132.00 128.28 1o0l h PRO 33 Ca 0.00 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1o0l h PRO 33 Cb 0.00 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.06 1o0l h PRO 33 CO 0.00 0.06 0.14 0.41 -0.21 0.00 0.00 178.00 178.40 1o0l n GLY 34 N -0.81 2.52 0.10 -0.55 0.00 -1.22 -4.00 105.19 101.24 1o0l n GLY 34 Ca -0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1o0l n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1o0l h GLU 35 N 0.55 0.07 -5.40 1.61 4.57 -1.79 -3.43 114.58 110.76 1o0l h GLU 35 Ca 0.14 -0.10 -0.60 0.00 -1.18 0.00 0.00 59.36 57.62 1o0l h GLU 35 Cb 1.39 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.89 1o0l h GLU 35 CO 0.28 0.93 -0.20 0.20 -1.18 0.00 0.00 179.01 179.04 1o0l s GLY 36 N -4.60 2.07 0.00 1.92 0.00 -1.26 -5.07 107.32 100.38 1o0l s GLY 36 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1o0l s GLY 36 CO 0.82 0.83 0.00 -1.55 0.00 0.00 0.00 173.10 173.20 1o0l n PRO 37 N 4.55 3.29 -2.49 2.90 -0.04 -1.26 -4.93 135.00 137.03 1o0l n PRO 37 Ca -0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.98 1o0l n PRO 37 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 1o0l n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o0l s ALA 38 N -3.61 2.91 -0.07 0.55 0.00 -1.26 -4.57 121.76 115.71 1o0l s ALA 38 Ca 0.00 -2.60 0.16 0.00 0.00 0.00 0.00 51.96 49.52 1o0l s ALA 38 Cb 0.00 -4.62 0.32 0.00 0.00 0.00 0.00 23.12 18.82 1o0l s ALA 38 CO 0.00 -3.69 1.15 0.00 0.00 0.00 0.00 175.76 173.21 1o0l n ALA 39 N 9.54 2.60 -2.19 0.00 0.00 -1.26 -4.60 120.51 124.60 1o0l n ALA 39 Ca 0.44 -2.34 -0.11 0.00 0.00 0.00 0.00 53.44 51.43 1o0l n ALA 39 Cb 0.47 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 1o0l n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1o0l s ASP 40 N -2.20 1.11 -0.12 0.00 1.01 -1.26 -5.02 116.67 110.19 1o0l s ASP 40 Ca 0.28 -1.07 -0.06 0.00 0.71 0.00 0.00 52.55 52.41 1o0l s ASP 40 Cb 0.29 0.11 -0.24 0.00 1.01 0.00 0.00 42.92 44.10 1o0l s ASP 40 CO -0.09 -0.51 3.40 -0.81 0.21 0.00 0.00 175.17 177.37 1o0l n PRO 41 N -0.11 2.01 0.00 8.23 -0.04 -1.26 -2.56 135.00 141.27 1o0l n PRO 41 Ca -0.10 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1o0l n PRO 41 Cb 0.62 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1o0l n PRO 41 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1o0l n LEU 42 N 2.62 0.00 0.36 1.53 -0.00 -1.26 -4.14 117.00 116.11 1o0l n LEU 42 Ca 0.43 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 56.26 1o0l n LEU 42 Cb 0.82 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.15 1o0l n LEU 42 CO 0.18 0.00 0.66 0.45 -0.00 0.00 0.00 177.39 178.68 1o0l h HIS 43 N 0.00 -0.82 0.00 1.47 3.86 -1.86 0.09 115.15 117.89 1o0l h HIS 43 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1o0l h HIS 43 Cb 0.00 0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1o0l h HIS 43 CO 0.00 -0.51 -0.03 1.96 0.86 0.00 0.00 177.93 180.21 1o0l h GLN 44 N -0.89 0.00 0.02 2.45 4.20 -1.80 -0.97 115.11 118.12 1o0l h GLN 44 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1o0l h GLN 44 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1o0l h GLN 44 CO 0.15 0.03 -0.01 0.00 -0.67 0.00 0.00 178.83 178.33 1o0l h ALA 45 N 1.97 -0.02 -0.42 3.87 0.00 -1.69 -2.91 119.26 120.05 1o0l h ALA 45 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1o0l h ALA 45 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1o0l h ALA 45 CO 0.00 -0.19 -0.14 1.98 0.00 0.00 0.00 179.25 180.90 1o0l h MET 46 N -0.66 0.78 -0.89 0.00 4.05 -0.54 -1.80 114.93 115.87 1o0l h MET 46 Ca -0.00 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 1o0l h MET 46 Cb 0.63 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 1o0l h MET 46 CO 0.00 0.88 0.53 -0.09 0.23 0.00 0.00 176.91 178.47 1o0l h ARG 47 N 0.70 1.21 0.00 0.39 2.43 -1.27 0.13 114.38 117.97 1o0l h ARG 47 Ca 0.11 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1o0l h ARG 47 Cb 0.64 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1o0l h ARG 47 CO 0.04 0.85 -0.77 0.00 -1.51 0.00 0.00 179.97 178.58 1o0l h ALA 48 N 1.29 0.66 0.55 2.80 0.00 -1.39 -2.79 119.26 120.38 1o0l h ALA 48 Ca 0.32 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1o0l h ALA 48 Cb -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1o0l h ALA 48 CO -0.06 0.97 -0.27 0.00 0.00 0.00 0.00 179.25 179.89 1o0l h ALA 49 N 1.23 -0.89 -0.75 0.00 0.00 -0.69 -2.77 119.26 115.38 1o0l h ALA 49 Ca -0.01 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1o0l h ALA 49 Cb 1.42 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 19.38 1o0l h ALA 49 CO 0.10 -0.84 0.15 0.78 0.00 0.00 0.00 179.25 179.45 1o0l h GLY 50 N -0.99 1.02 0.37 0.00 0.00 -0.86 0.15 103.07 102.76 1o0l h GLY 50 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1o0l h GLY 50 CO 0.12 -0.23 -0.25 -1.80 0.00 0.00 0.00 176.54 174.38 1o0l h ASP 51 N 0.23 -0.75 -0.27 0.19 1.82 -1.52 0.80 116.42 116.93 1o0l h ASP 51 Ca 0.43 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 57.14 1o0l h ASP 51 Cb 0.75 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1o0l h ASP 51 CO -0.55 -0.31 0.03 -0.08 -1.61 0.00 0.00 179.24 176.72 1o0l h GLU 52 N -0.36 0.46 -0.58 0.28 4.81 -1.05 -2.40 114.58 115.74 1o0l h GLU 52 Ca 0.08 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1o0l h GLU 52 Cb 0.47 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1o0l h GLU 52 CO -0.26 0.59 0.06 0.35 -0.73 0.00 0.00 179.01 179.02 1o0l h PHE 53 N 0.26 1.03 -0.63 0.92 3.57 -0.76 -0.86 116.94 120.47 1o0l h PHE 53 Ca 0.08 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o0l h PHE 53 Cb 0.36 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1o0l h PHE 53 CO 0.03 0.89 0.38 1.49 -2.23 0.00 0.00 178.31 178.87 1o0l h GLU 54 N 0.90 0.85 0.00 1.11 4.81 0.73 0.99 114.58 123.98 1o0l h GLU 54 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1o0l h GLU 54 Cb 0.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1o0l h GLU 54 CO 0.02 0.60 -0.20 2.41 -0.73 0.00 0.00 179.01 181.10 1o0l n THR 55 N -4.41 0.29 -0.04 0.32 -1.04 -0.91 -3.83 114.28 104.66 1o0l n THR 55 Ca 0.06 -0.16 0.01 0.00 -2.04 0.00 0.00 64.05 61.92 1o0l n THR 55 Cb 0.07 -0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 68.11 1o0l n THR 55 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1o0l n ARG 56 N -1.91 0.99 -2.82 -2.82 1.74 -0.24 -4.83 116.66 106.77 1o0l n ARG 56 Ca 0.05 -0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1o0l n ARG 56 Cb 0.39 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1o0l n ARG 56 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1o0l s PHE 57 N -2.77 2.87 0.48 -1.55 5.36 0.33 -4.86 117.98 117.84 1o0l s PHE 57 Ca -0.07 -1.06 0.13 0.00 -0.96 0.00 0.00 56.93 54.97 1o0l s PHE 57 Cb 0.08 -4.39 1.10 0.00 -0.34 0.00 0.00 43.02 39.47 1o0l s PHE 57 CO 0.66 -1.64 2.10 0.00 -1.46 0.00 0.00 175.22 174.88 1o0l h ARG 58 N 9.23 0.17 -3.01 10.12 3.08 -1.87 -3.27 114.38 128.84 1o0l h ARG 58 Ca 0.07 -0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.48 1o0l h ARG 58 Cb 1.03 -0.04 -0.42 0.00 0.08 0.00 0.00 29.97 30.63 1o0l h ARG 58 CO 1.20 0.14 -0.55 -2.13 -1.07 0.00 0.00 179.97 177.55 1o0l n ARG 59 N -4.49 1.94 0.00 0.04 0.63 -1.26 -4.78 116.66 108.74 1o0l n ARG 59 Ca -0.01 -4.52 0.00 0.00 -0.92 0.00 0.00 57.85 52.40 1o0l n ARG 59 Cb 0.10 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 30.72 1o0l n ARG 59 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1o0l n THR 60 N 1.85 0.00 0.00 5.15 5.66 -1.23 -4.78 114.28 120.93 1o0l n THR 60 Ca 0.21 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1o0l n THR 60 Cb 0.36 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1o0l n THR 60 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1o0l n PHE 61 N -0.73 0.00 0.08 1.09 3.01 -1.26 -4.71 117.46 114.93 1o0l n PHE 61 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.51 1o0l n PHE 61 Cb 0.00 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 39.96 1o0l n PHE 61 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1o0l h SER 62 N 0.00 0.33 1.12 4.37 0.02 -1.91 -0.72 113.55 116.76 1o0l h SER 62 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1o0l h SER 62 Cb 0.92 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 1o0l h SER 62 CO 0.00 0.24 -0.03 0.44 -1.14 0.00 0.00 176.83 176.33 1o0l h ASP 63 N 0.39 0.00 -0.27 3.07 5.19 -1.87 -0.25 116.42 122.67 1o0l h ASP 63 Ca 0.11 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 1o0l h ASP 63 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1o0l h ASP 63 CO -0.02 0.03 -0.47 -0.07 -3.12 0.00 0.00 179.24 175.59 1o0l h LEU 64 N 0.00 0.89 -0.08 1.55 4.07 -1.41 -1.58 115.31 118.75 1o0l h LEU 64 Ca -0.00 -0.53 -0.19 0.00 0.08 0.00 0.00 57.88 57.25 1o0l h LEU 64 Cb 0.61 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 42.10 1o0l h LEU 64 CO 0.00 1.24 -0.68 0.00 -1.08 0.00 0.00 178.44 177.93 1o0l h ALA 65 N 0.67 0.19 -0.73 1.53 0.00 -1.39 -2.78 119.26 116.73 1o0l h ALA 65 Ca 0.02 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.42 1o0l h ALA 65 Cb 1.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1o0l h ALA 65 CO 0.11 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.27 1o0l h ALA 66 N 0.45 1.00 0.24 0.00 0.00 -1.04 0.17 119.26 120.08 1o0l h ALA 66 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1o0l h ALA 66 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1o0l h ALA 66 CO 0.14 0.10 -0.11 1.96 0.00 0.00 0.00 179.25 181.33 1o0l h GLN 67 N 0.75 -0.30 -0.15 0.00 4.20 -1.30 -3.07 115.11 115.24 1o0l h GLN 67 Ca 0.33 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1o0l h GLN 67 Cb 0.22 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1o0l h GLN 67 CO -0.20 -0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.16 1o0l n LEU 68 N -5.15 0.97 0.18 1.46 7.99 -1.05 -3.66 117.00 117.73 1o0l n LEU 68 Ca -0.09 -0.45 0.06 0.00 -0.01 0.00 0.00 56.01 55.52 1o0l n LEU 68 Cb 0.20 -0.10 0.13 0.00 -0.11 0.00 0.00 43.42 43.55 1o0l n LEU 68 CO 0.33 0.23 0.62 -0.74 -1.51 0.00 0.00 177.39 176.32 1o0l h HIS 69 N 1.16 0.00 0.00 -1.77 2.76 -0.56 -3.38 115.15 113.36 1o0l h HIS 69 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1o0l h HIS 69 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1o0l h HIS 69 CO 0.10 0.31 -0.07 1.33 -1.30 0.00 0.00 177.93 178.30 1o0l n VAL 70 N -3.20 0.16 -3.61 5.26 0.24 -1.24 -5.07 118.33 110.87 1o0l n VAL 70 Ca 0.02 0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 62.67 1o0l n VAL 70 Cb 0.63 -1.60 -0.07 0.00 -1.47 0.00 0.00 33.84 31.33 1o0l n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1o0l s THR 71 N -1.15 0.00 0.58 3.34 -4.23 -1.26 -5.18 115.64 107.74 1o0l s THR 71 Ca -0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1o0l s THR 71 Cb 0.00 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 72.98 1o0l s THR 71 CO 0.03 0.00 0.79 -2.65 -0.54 0.00 0.00 174.62 172.25 1o0l n PRO 72 N 1.91 -0.71 0.00 3.99 -0.02 -1.26 -4.48 135.00 134.43 1o0l n PRO 72 Ca -0.13 -1.29 0.00 0.00 -2.02 0.00 0.00 63.50 60.06 1o0l n PRO 72 Cb 0.56 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 1o0l n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o0l n GLY 73 N -0.25 1.73 0.91 -1.23 0.00 -1.26 -4.58 105.19 100.51 1o0l n GLY 73 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1o0l n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1o0l n SER 74 N 3.97 1.96 0.15 1.61 7.64 -1.26 -3.66 113.62 124.02 1o0l n SER 74 Ca 0.00 -1.48 0.05 0.00 1.01 0.00 0.00 58.87 58.45 1o0l n SER 74 Cb 0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 1o0l n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o0l h ALA 75 N 1.95 0.75 -0.93 -0.43 0.00 -1.84 -3.32 119.26 115.45 1o0l h ALA 75 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1o0l h ALA 75 Cb 0.67 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1o0l h ALA 75 CO 0.00 0.45 0.61 -0.56 0.00 0.00 0.00 179.25 179.75 1o0l h GLN 76 N 0.00 1.21 -0.08 0.00 3.07 -1.99 -0.13 115.11 117.20 1o0l h GLN 76 Ca -0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 1o0l h GLN 76 Cb 1.28 -0.27 -0.00 0.00 0.08 0.00 0.00 27.48 28.56 1o0l h GLN 76 CO 0.04 0.80 0.04 1.96 0.09 0.00 0.00 178.83 181.76 1o0l h GLN 77 N 1.25 0.12 -0.66 0.06 4.20 -1.89 0.24 115.11 118.44 1o0l h GLN 77 Ca 0.34 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.05 1o0l h GLN 77 Cb -0.14 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1o0l h GLN 77 CO -0.08 0.19 0.43 0.00 -0.67 0.00 0.00 178.83 178.70 1o0l h ARG 78 N 0.01 0.85 0.21 1.46 3.08 -1.64 -1.32 114.38 117.02 1o0l h ARG 78 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1o0l h ARG 78 Cb 0.11 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1o0l h ARG 78 CO -0.00 0.56 -0.10 0.35 -1.07 0.00 0.00 179.97 179.71 1o0l h PHE 79 N 0.87 -0.26 -0.58 3.04 3.57 -0.75 -2.74 116.94 120.09 1o0l h PHE 79 Ca 0.24 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1o0l h PHE 79 Cb -0.08 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1o0l h PHE 79 CO -0.03 -0.09 0.39 1.79 -2.23 0.00 0.00 178.31 178.14 1o0l h THR 80 N -0.37 0.91 0.15 4.41 1.35 -0.25 0.74 112.91 119.85 1o0l h THR 80 Ca -0.03 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 1o0l h THR 80 Cb 0.29 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1o0l h THR 80 CO 0.05 0.07 -0.07 1.56 -0.25 0.00 0.00 175.52 176.88 1o0l h GLN 81 N 0.41 -0.20 -0.42 4.72 1.08 -0.97 0.05 115.11 119.78 1o0l h GLN 81 Ca 0.27 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.42 1o0l h GLN 81 Cb 0.51 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1o0l h GLN 81 CO -0.07 -0.05 0.01 0.28 -0.95 0.00 0.00 178.83 178.05 1o0l h VAL 82 N -0.30 1.22 -0.20 -0.54 2.07 -1.12 -0.84 116.25 116.55 1o0l h VAL 82 Ca -0.02 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1o0l h VAL 82 Cb 0.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1o0l h VAL 82 CO 0.03 0.31 0.07 0.28 0.02 0.00 0.00 177.57 178.28 1o0l h SER 83 N 0.64 0.28 0.07 0.57 0.02 -0.56 -0.34 113.55 114.22 1o0l h SER 83 Ca 0.13 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1o0l h SER 83 Cb 0.38 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1o0l h SER 83 CO 0.01 0.40 -0.38 -0.78 -1.14 0.00 0.00 176.83 174.95 1o0l h ASP 84 N 0.15 0.43 0.26 3.07 3.58 -0.81 -1.08 116.42 122.03 1o0l h ASP 84 Ca 0.06 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1o0l h ASP 84 Cb 0.21 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1o0l h ASP 84 CO -0.00 0.77 -0.29 -0.33 -2.88 0.00 0.00 179.24 176.51 1o0l h GLU 85 N 0.35 0.05 0.11 0.28 4.39 -0.93 0.12 114.58 118.94 1o0l h GLU 85 Ca 0.04 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.45 1o0l h GLU 85 Cb 0.82 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1o0l h GLU 85 CO 0.07 0.33 -1.19 -0.07 -1.16 0.00 0.00 179.01 176.98 1o0l h LEU 86 N 0.04 0.61 -0.48 1.33 4.07 -0.52 -3.18 115.31 117.19 1o0l h LEU 86 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1o0l h LEU 86 Cb 0.53 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1o0l h LEU 86 CO 0.04 1.42 -0.06 0.33 -1.08 0.00 0.00 178.44 179.09 1o0l n PHE 87 N -3.67 0.00 -0.27 1.13 7.35 -0.46 -3.76 117.46 117.78 1o0l n PHE 87 Ca -0.10 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.73 1o0l n PHE 87 Cb 0.97 -0.07 0.41 0.00 0.35 0.00 0.00 39.48 41.14 1o0l n PHE 87 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1o0l h GLN 88 N 1.17 0.60 0.00 -4.13 4.15 -0.75 -3.40 115.11 112.75 1o0l h GLN 88 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1o0l h GLN 88 Cb 0.35 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1o0l h GLN 88 CO 0.00 0.40 0.00 0.41 -1.93 0.00 0.00 178.83 177.71 1o0l n GLY 89 N -1.44 -1.73 0.00 2.39 0.00 -1.26 -5.08 105.19 98.07 1o0l n GLY 89 Ca 0.19 0.82 0.00 0.00 0.00 0.00 0.00 46.02 47.03 1o0l n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o0l n GLY 90 N 0.00 -0.61 1.40 -0.02 0.00 -1.25 -4.96 105.19 99.77 1o0l n GLY 90 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1o0l n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o0l n PRO 91 N 0.00 1.11 -1.13 1.61 -0.04 -1.25 -4.66 135.00 130.63 1o0l n PRO 91 Ca 0.00 -0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 62.94 1o0l n PRO 91 Cb 0.00 -1.09 0.14 0.00 -0.04 0.00 0.00 33.50 32.51 1o0l n PRO 91 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1o0l s ASN 92 N 1.45 3.48 0.56 3.54 3.84 -1.26 -4.60 114.94 121.95 1o0l s ASN 92 Ca 0.04 1.61 0.28 0.00 0.21 0.00 0.00 52.86 55.00 1o0l s ASN 92 Cb 0.03 -2.28 1.48 0.00 -0.55 0.00 0.00 41.25 39.94 1o0l s ASN 92 CO 0.00 -2.66 1.96 -0.50 -2.79 0.00 0.00 177.10 173.12 1o0l h TRP 93 N -1.56 0.00 -0.59 0.43 4.06 -1.97 0.45 115.95 116.77 1o0l h TRP 93 Ca -0.48 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.42 1o0l h TRP 93 Cb 1.28 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.41 1o0l h TRP 93 CO 0.45 0.00 0.19 0.78 -3.56 0.00 0.00 178.44 176.31 1o0l h GLY 94 N 0.00 0.97 1.34 1.49 0.00 -1.90 -2.84 103.07 102.13 1o0l h GLY 94 Ca 0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1o0l h GLY 94 CO -0.00 0.53 -0.97 -0.09 0.00 0.00 0.00 176.54 176.01 1o0l h ARG 95 N 0.83 0.00 -0.66 4.80 9.65 -1.17 -3.33 114.38 124.50 1o0l h ARG 95 Ca 0.19 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.23 1o0l h ARG 95 Cb 0.27 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1o0l h ARG 95 CO -0.01 0.26 0.46 1.25 2.80 0.00 0.00 179.97 184.73 1o0l h LEU 96 N 0.00 0.19 0.40 3.80 7.12 0.02 0.28 115.31 127.12 1o0l h LEU 96 Ca -0.07 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.93 1o0l h LEU 96 Cb 1.36 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1o0l h LEU 96 CO 0.04 0.10 -0.19 0.58 -0.13 0.00 0.00 178.44 178.83 1o0l h VAL 97 N 0.20 0.61 -0.06 1.05 2.07 -1.64 -2.63 116.25 115.85 1o0l h VAL 97 Ca 0.32 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1o0l h VAL 97 Cb 0.98 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1o0l h VAL 97 CO -0.06 0.03 -0.07 0.00 0.02 0.00 0.00 177.57 177.50 1o0l h ALA 98 N -0.07 1.78 -0.08 1.67 0.00 -1.36 0.11 119.26 121.30 1o0l h ALA 98 Ca -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1o0l h ALA 98 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1o0l h ALA 98 CO 0.09 0.17 -0.14 0.74 0.00 0.00 0.00 179.25 180.11 1o0l h PHE 99 N 0.09 -0.35 0.06 0.00 0.04 -0.65 0.30 116.94 116.42 1o0l h PHE 99 Ca 0.02 0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 1o0l h PHE 99 Cb 0.18 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1o0l h PHE 99 CO 0.00 -0.21 -1.29 0.74 -0.60 0.00 0.00 178.31 176.95 1o0l h PHE 100 N -0.19 0.24 -0.28 -0.55 -1.00 -1.26 -3.31 116.94 110.59 1o0l h PHE 100 Ca 0.08 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 1o0l h PHE 100 Cb 0.30 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1o0l h PHE 100 CO -0.23 1.17 -0.09 0.28 -1.61 0.00 0.00 178.31 177.82 1o0l h VAL 101 N 0.04 1.21 0.24 -0.55 2.07 -0.59 -2.08 116.25 116.59 1o0l h VAL 101 Ca -0.14 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1o0l h VAL 101 Cb 1.92 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 1o0l h VAL 101 CO 0.15 0.30 -0.53 -0.26 0.02 0.00 0.00 177.57 177.25 1o0l h PHE 102 N 0.43 -1.50 -0.20 1.57 0.04 -0.49 0.20 116.94 116.97 1o0l h PHE 102 Ca 0.08 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.71 1o0l h PHE 102 Cb 0.43 0.62 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1o0l h PHE 102 CO 0.01 -0.63 -0.59 0.78 -0.60 0.00 0.00 178.31 177.28 1o0l h GLY 103 N -0.84 0.73 0.89 -1.45 0.00 -1.72 -1.85 103.07 98.83 1o0l h GLY 103 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.45 1o0l h GLY 103 CO -0.22 0.79 0.65 0.00 0.00 0.00 0.00 176.54 177.76 1o0l h ALA 104 N 0.84 1.31 -0.14 3.60 0.00 -1.22 0.45 119.26 124.09 1o0l h ALA 104 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1o0l h ALA 104 Cb 1.17 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1o0l h ALA 104 CO 0.12 0.55 -0.55 0.00 0.00 0.00 0.00 179.25 179.37 1o0l h ALA 105 N 1.40 0.26 0.01 0.00 0.00 -0.93 -1.92 119.26 118.07 1o0l h ALA 105 Ca 0.39 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1o0l h ALA 105 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1o0l h ALA 105 CO -0.12 0.47 -0.12 1.25 0.00 0.00 0.00 179.25 180.73 1o0l h LEU 106 N 0.28 -0.35 -0.60 0.00 6.46 -0.67 -2.50 115.31 117.92 1o0l h LEU 106 Ca -0.03 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1o0l h LEU 106 Cb 1.18 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 1o0l h LEU 106 CO 0.11 -0.18 0.38 0.00 -0.62 0.00 0.00 178.44 178.14 1o0l h ALA 108 N 1.20 1.74 0.00 0.00 0.00 -1.01 -0.53 119.26 120.66 1o0l h ALA 108 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1o0l h ALA 108 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1o0l h ALA 108 CO -0.04 0.06 -0.52 1.49 0.00 0.00 0.00 179.25 180.24 1o0l h GLU 109 N 0.77 0.00 0.10 0.00 4.81 -1.09 -3.11 114.58 116.06 1o0l h GLU 109 Ca 0.41 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.36 1o0l h GLU 109 Cb 0.52 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1o0l h GLU 109 CO -0.17 0.52 -1.19 0.77 -0.73 0.00 0.00 179.01 178.22 1o0l h SER 110 N 0.00 0.62 0.05 1.04 0.02 -0.79 -2.92 113.55 111.57 1o0l h SER 110 Ca -0.01 -0.59 -0.08 0.00 -0.84 0.00 0.00 61.79 60.27 1o0l h SER 110 Cb 1.34 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1o0l h SER 110 CO 0.07 1.43 -0.24 0.58 -1.14 0.00 0.00 176.83 177.52 1o0l h VAL 111 N 0.18 1.24 0.02 2.27 2.07 -1.21 -3.03 116.25 117.80 1o0l h VAL 111 Ca -0.15 -1.14 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 1o0l h VAL 111 Cb 1.87 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1o0l h VAL 111 CO 0.21 0.35 -1.01 -0.55 0.02 0.00 0.00 177.57 176.59 1o0l h ASN 112 N 0.29 0.09 -1.56 0.57 7.08 -1.58 -3.46 115.58 117.00 1o0l h ASN 112 Ca 0.05 -0.09 0.04 0.00 -3.08 0.00 0.00 56.30 53.22 1o0l h ASN 112 Cb 0.58 -0.03 -0.22 0.00 -2.08 0.00 0.00 38.32 36.57 1o0l h ASN 112 CO 0.04 1.04 -0.26 -0.75 -2.08 0.00 0.00 177.43 175.41 1o0l s LYS 113 N -2.79 0.52 0.43 4.14 2.20 -1.10 -5.12 119.74 118.02 1o0l s LYS 113 Ca -0.00 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1o0l s LYS 113 Cb 0.10 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1o0l s LYS 113 CO 0.83 -0.46 0.00 0.39 -0.36 0.00 0.00 175.35 175.75 1o0l n GLU 114 N 5.42 -3.48 -0.47 4.03 1.02 -1.24 -4.57 120.64 121.36 1o0l n GLU 114 Ca -0.05 2.63 0.00 0.00 -0.02 0.00 0.00 57.16 59.72 1o0l n GLU 114 Cb 0.50 -3.07 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 1o0l n GLU 114 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1o0l n MET 115 N -1.42 -0.88 0.04 3.49 2.81 -1.26 -4.52 117.12 115.38 1o0l n MET 115 Ca 0.00 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 1o0l n MET 115 Cb 0.13 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 1o0l n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1o0l n GLU 116 N -0.11 0.00 0.26 0.03 2.13 -1.26 -4.37 120.64 117.32 1o0l n GLU 116 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1o0l n GLU 116 Cb 0.00 -0.49 0.67 0.00 0.27 0.00 0.00 31.44 31.90 1o0l n GLU 116 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1o0l h PRO 117 N 0.00 0.00 -0.17 5.31 0.11 -2.00 -2.24 132.00 133.01 1o0l h PRO 117 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1o0l h PRO 117 Cb 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1o0l h PRO 117 CO 0.00 0.02 0.11 -0.07 -0.21 0.00 0.00 178.00 177.85 1o0l h LEU 118 N 0.00 0.19 0.12 2.35 -0.00 -1.99 -1.96 115.31 114.02 1o0l h LEU 118 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1o0l h LEU 118 Cb 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1o0l h LEU 118 CO 0.00 0.14 -0.06 0.58 -0.00 0.00 0.00 178.44 179.10 1o0l h VAL 119 N 0.23 0.91 -0.02 1.22 2.07 -1.70 0.28 116.25 119.23 1o0l h VAL 119 Ca 0.06 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1o0l h VAL 119 Cb -0.03 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1o0l h VAL 119 CO -0.01 0.02 -0.43 1.23 0.02 0.00 0.00 177.57 178.39 1o0l h GLY 120 N -0.20 0.05 0.76 2.17 0.00 -1.63 -2.30 103.07 101.93 1o0l h GLY 120 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1o0l h GLY 120 CO 0.03 0.04 -0.10 1.46 0.00 0.00 0.00 176.54 177.98 1o0l h GLN 121 N 0.04 -0.26 -0.87 4.80 7.50 -1.03 -0.52 115.11 124.78 1o0l h GLN 121 Ca 0.00 0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.27 1o0l h GLN 121 Cb 0.79 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 28.31 1o0l h GLN 121 CO 0.06 0.01 0.56 0.28 -1.50 0.00 0.00 178.83 178.24 1o0l h VAL 122 N -0.51 0.93 -0.27 -0.54 2.07 -0.85 0.67 116.25 117.75 1o0l h VAL 122 Ca -0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1o0l h VAL 122 Cb 0.38 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1o0l h VAL 122 CO 0.04 0.15 0.14 -0.61 0.02 0.00 0.00 177.57 177.32 1o0l h GLN 123 N 0.81 0.37 -0.07 1.57 4.15 -1.08 -1.52 115.11 119.35 1o0l h GLN 123 Ca 0.41 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.58 1o0l h GLN 123 Cb 0.49 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1o0l h GLN 123 CO -0.18 0.33 -0.79 1.05 -1.93 0.00 0.00 178.83 177.32 1o0l h GLU 124 N 0.32 0.46 -0.88 1.69 4.11 0.32 -0.88 114.58 119.71 1o0l h GLU 124 Ca 0.09 -0.40 0.09 0.00 0.07 0.00 0.00 59.36 59.21 1o0l h GLU 124 Cb 0.07 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1o0l h GLU 124 CO -0.01 1.04 0.57 -1.49 0.07 0.00 0.00 179.01 179.19 1o0l h TRP 125 N 0.30 0.95 0.22 2.06 6.55 0.47 0.47 115.95 126.97 1o0l h TRP 125 Ca -0.05 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 1o0l h TRP 125 Cb 1.39 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1o0l h TRP 125 CO 0.05 0.45 -0.11 0.52 -1.05 0.00 0.00 178.44 178.31 1o0l h MET 126 N 0.89 -0.28 -0.27 0.49 2.86 -1.12 -2.66 114.93 114.83 1o0l h MET 126 Ca 0.40 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 1o0l h MET 126 Cb 0.38 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1o0l h MET 126 CO -0.17 0.05 0.15 -0.24 1.06 0.00 0.00 176.91 177.76 1o0l h VAL 127 N -0.96 1.09 -0.09 -2.22 3.04 -0.84 -0.01 116.25 116.25 1o0l h VAL 127 Ca -0.03 -0.23 -0.04 0.00 -1.01 0.00 0.00 66.70 65.39 1o0l h VAL 127 Cb 0.46 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1o0l h VAL 127 CO 0.05 0.10 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.29 1o0l h GLU 128 N 0.38 0.23 -0.56 4.17 5.08 -0.14 0.26 114.58 123.99 1o0l h GLU 128 Ca 0.10 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1o0l h GLU 128 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1o0l h GLU 128 CO -0.02 0.65 0.29 -0.92 -1.00 0.00 0.00 179.01 178.01 1o0l h TYR 129 N -0.18 0.77 0.24 4.33 5.03 -1.11 -1.33 116.97 124.72 1o0l h TYR 129 Ca 0.02 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1o0l h TYR 129 Cb 0.60 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1o0l h TYR 129 CO 0.09 0.55 -0.12 -0.07 -1.32 0.00 0.00 178.16 177.29 1o0l h LEU 130 N 0.79 -0.28 -1.64 2.82 4.07 -0.89 -1.51 115.31 118.67 1o0l h LEU 130 Ca 0.20 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1o0l h LEU 130 Cb 0.06 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1o0l h LEU 130 CO -0.03 0.22 0.12 -0.33 -1.08 0.00 0.00 178.44 177.34 1o0l h GLU 131 N -0.90 0.36 0.16 1.13 5.08 -0.89 0.63 114.58 120.15 1o0l h GLU 131 Ca -0.03 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.00 1o0l h GLU 131 Cb 0.50 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.71 1o0l h GLU 131 CO 0.05 0.28 -1.24 1.15 -1.00 0.00 0.00 179.01 178.26 1o0l h THR 132 N 0.36 1.32 0.00 1.13 2.02 -1.30 -3.41 112.91 113.02 1o0l h THR 132 Ca 0.09 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1o0l h THR 132 Cb 0.05 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1o0l h THR 132 CO -0.01 0.76 -0.67 0.54 0.37 0.00 0.00 175.52 176.51 1o0l n ARG 133 N -3.83 0.00 -0.03 6.66 1.74 -0.59 -4.75 116.66 115.86 1o0l n ARG 133 Ca -0.15 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.83 1o0l n ARG 133 Cb 0.99 -0.78 -0.04 0.00 -1.02 0.00 0.00 32.46 31.61 1o0l n ARG 133 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1o0l h LEU 134 N 0.00 0.20 -1.41 0.55 -0.00 -0.55 -2.45 115.31 111.64 1o0l h LEU 134 Ca 0.00 -0.03 0.21 0.00 -0.00 0.00 0.00 57.88 58.06 1o0l h LEU 134 Cb 0.67 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 41.20 1o0l h LEU 134 CO 0.00 0.17 0.62 0.00 -0.00 0.00 0.00 178.44 179.22 1o0l h ALA 135 N 1.04 2.13 0.17 1.53 0.00 -0.13 0.93 119.26 124.93 1o0l h ALA 135 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1o0l h ALA 135 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1o0l h ALA 135 CO -0.01 -0.45 -0.08 0.22 0.00 0.00 0.00 179.25 178.93 1o0l h ASP 136 N 0.46 -0.19 -0.30 0.00 3.58 -1.68 0.24 116.42 118.54 1o0l h ASP 136 Ca 0.51 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.87 1o0l h ASP 136 Cb 1.18 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1o0l h ASP 136 CO -0.22 -0.01 0.15 -0.25 -2.88 0.00 0.00 179.24 176.02 1o0l h TRP 137 N -0.36 0.27 -0.30 0.28 7.01 -1.07 -1.10 115.95 120.68 1o0l h TRP 137 Ca -0.02 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1o0l h TRP 137 Cb 0.28 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1o0l h TRP 137 CO -0.02 0.15 0.10 0.82 -2.79 0.00 0.00 178.44 176.70 1o0l h ILE 138 N 0.31 0.92 0.00 2.65 2.04 -0.68 0.18 117.51 122.93 1o0l h ILE 138 Ca 0.12 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1o0l h ILE 138 Cb 0.04 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1o0l h ILE 138 CO -0.08 0.04 -0.29 0.45 0.00 0.00 0.00 178.15 178.27 1o0l h HIS 139 N 0.23 0.00 -0.00 1.37 3.86 -0.27 0.29 115.15 120.63 1o0l h HIS 139 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1o0l h HIS 139 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1o0l h HIS 139 CO -0.14 0.29 -0.55 0.43 0.86 0.00 0.00 177.93 178.83 1o0l n SER 140 N -3.68 0.71 -0.10 2.45 7.64 -0.44 -4.42 113.62 115.78 1o0l n SER 140 Ca -0.01 -0.51 -0.18 0.00 1.01 0.00 0.00 58.87 59.17 1o0l n SER 140 Cb 0.40 0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.89 1o0l n SER 140 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1o0l n SER 141 N -1.32 1.89 0.00 6.43 2.88 0.56 -4.97 113.62 119.08 1o0l n SER 141 Ca 0.06 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1o0l n SER 141 Cb 0.34 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1o0l n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o0l n GLY 142 N 1.43 0.11 0.00 0.46 0.00 -0.98 -5.10 105.19 101.12 1o0l n GLY 142 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1o0l n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o0l n GLY 143 N 0.00 0.51 0.23 -0.02 0.00 0.98 -3.83 105.19 103.06 1o0l n GLY 143 Ca 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.22 1o0l n GLY 143 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1o0l h TRP 144 N 0.00 0.03 -0.29 1.61 4.06 -1.89 -1.27 115.95 118.20 1o0l h TRP 144 Ca 0.00 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1o0l h TRP 144 Cb 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1o0l h TRP 144 CO 0.00 0.19 0.02 0.00 -3.56 0.00 0.00 178.44 175.10 1o0l h ALA 145 N 1.81 1.50 -0.53 1.49 0.00 -1.81 -0.39 119.26 121.34 1o0l h ALA 145 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1o0l h ALA 145 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1o0l h ALA 145 CO 0.02 0.36 0.15 1.49 0.00 0.00 0.00 179.25 181.28 1o0l h GLU 146 N 0.42 0.84 -0.24 0.00 4.81 -1.33 -1.75 114.58 117.33 1o0l h GLU 146 Ca 0.10 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1o0l h GLU 146 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1o0l h GLU 146 CO 0.00 0.78 -0.19 0.35 -0.73 0.00 0.00 179.01 179.23 1o0l h PHE 147 N 0.74 0.47 0.00 0.92 3.57 -1.32 -0.22 116.94 121.09 1o0l h PHE 147 Ca 0.17 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1o0l h PHE 147 Cb 0.30 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1o0l h PHE 147 CO 0.02 0.60 -0.29 1.15 -2.23 0.00 0.00 178.31 177.55 1o0l h THR 148 N 0.39 0.92 0.00 4.41 2.02 -0.53 -2.39 112.91 117.73 1o0l h THR 148 Ca 0.07 -1.12 -0.17 0.00 0.77 0.00 0.00 66.41 65.95 1o0l h THR 148 Cb 0.56 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1o0l h THR 148 CO 0.04 0.29 -1.19 0.00 0.37 0.00 0.00 175.52 175.02 1o0l h ALA 149 N 1.71 0.64 0.06 6.16 0.00 -0.70 -0.63 119.26 126.51 1o0l h ALA 149 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1o0l h ALA 149 Cb 0.64 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1o0l h ALA 149 CO 0.04 0.96 -0.03 -0.07 0.00 0.00 0.00 179.25 180.15 1o0l h LEU 150 N 0.00 -0.07 -3.60 0.00 4.07 -0.57 -3.32 115.31 111.82 1o0l h LEU 150 Ca -0.13 -0.21 -0.19 0.00 0.08 0.00 0.00 57.88 57.43 1o0l h LEU 150 Cb 1.61 0.02 -0.31 0.00 1.08 0.00 0.00 40.66 43.06 1o0l h LEU 150 CO 0.06 0.17 -0.91 -1.22 -1.08 0.00 0.00 178.44 175.47 1o0l n TYR 151 N -5.02 0.58 0.00 1.13 4.02 -0.99 -4.04 117.16 112.85 1o0l n TYR 151 Ca -0.08 -1.28 0.00 0.00 -0.01 0.00 0.00 57.90 56.53 1o0l n TYR 151 Cb 0.16 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1o0l n TYR 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o0l n GLY 152 N -0.25 1.82 0.27 2.72 0.00 -0.24 -4.65 105.19 104.85 1o0l n GLY 152 Ca 0.14 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1o0l n GLY 152 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1o0l h ASP 153 N 0.00 0.95 -2.07 1.61 3.58 -1.90 -3.21 116.42 115.39 1o0l h ASP 153 Ca 0.00 -0.40 -0.76 0.00 0.42 0.00 0.00 57.03 56.29 1o0l h ASP 153 Cb 0.00 -0.27 -0.29 0.00 1.72 0.00 0.00 39.33 40.50 1o0l h ASP 153 CO 0.00 1.18 0.84 0.61 -2.88 0.00 0.00 179.24 178.99 1o0l n GLY 154 N -0.01 5.78 3.30 -0.78 0.00 -1.26 -4.90 105.19 107.32 1o0l n GLY 154 Ca -0.01 -2.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.06 1o0l n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0l n ALA 155 N -0.35 3.72 -0.89 4.61 0.00 -1.21 -4.70 120.51 121.68 1o0l n ALA 155 Ca 0.49 -3.63 -0.30 0.00 0.00 0.00 0.00 53.44 50.00 1o0l n ALA 155 Cb 0.28 -3.57 0.16 0.00 0.00 0.00 0.00 19.45 16.32 1o0l n ALA 155 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1o0l s LEU 156 N 4.59 2.42 0.45 0.00 2.34 -1.26 -4.73 118.68 122.49 1o0l s LEU 156 Ca 0.55 1.86 0.16 0.00 0.06 0.00 0.00 54.13 56.76 1o0l s LEU 156 Cb 0.07 -4.23 1.09 0.00 -0.56 0.00 0.00 46.19 42.56 1o0l s LEU 156 CO 0.05 -2.98 1.99 -0.33 -1.06 0.00 0.00 176.35 174.02 1o0l h GLU 157 N -1.78 0.32 -0.06 1.48 4.39 -1.97 -1.26 114.58 115.70 1o0l h GLU 157 Ca -0.48 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.01 1o0l h GLU 157 Cb 1.27 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1o0l h GLU 157 CO 0.48 0.21 -0.78 0.93 -1.16 0.00 0.00 179.01 178.69 1o0l h GLU 158 N 0.33 0.42 -0.28 2.33 5.08 -1.98 -2.70 114.58 117.78 1o0l h GLU 158 Ca 0.26 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1o0l h GLU 158 Cb 0.59 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1o0l h GLU 158 CO -0.06 1.01 -0.52 0.00 -1.00 0.00 0.00 179.01 178.43 1o0l h ALA 159 N 0.88 0.53 0.58 3.43 0.00 -1.56 -1.50 119.26 121.62 1o0l h ALA 159 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1o0l h ALA 159 Cb 1.37 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1o0l h ALA 159 CO 0.13 0.68 -0.28 0.00 0.00 0.00 0.00 179.25 179.79 1o0l h ARG 160 N 0.64 -0.75 -0.29 0.00 3.08 -1.30 -1.83 114.38 113.93 1o0l h ARG 160 Ca 0.02 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1o0l h ARG 160 Cb 1.12 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1o0l h ARG 160 CO 0.11 -0.46 0.11 0.07 -1.07 0.00 0.00 179.97 178.74 1o0l h ARG 161 N -0.89 0.40 -0.55 0.04 0.11 -1.54 -2.28 114.38 109.67 1o0l h ARG 161 Ca -0.08 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.91 1o0l h ARG 161 Cb 0.63 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1o0l h ARG 161 CO 0.13 0.34 0.16 1.25 0.10 0.00 0.00 179.97 181.95 1o0l h LEU 162 N 0.40 0.81 -0.43 0.08 6.46 -1.08 0.04 115.31 121.60 1o0l h LEU 162 Ca 0.10 -0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.53 1o0l h LEU 162 Cb 0.09 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1o0l h LEU 162 CO -0.01 0.81 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.34 1o0l h ARG 163 N 0.77 0.89 -0.63 1.25 2.43 -0.86 0.41 114.38 118.64 1o0l h ARG 163 Ca 0.18 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1o0l h ARG 163 Cb 0.30 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1o0l h ARG 163 CO -0.00 1.03 0.12 0.93 -1.51 0.00 0.00 179.97 180.54 1o0l h GLU 164 N 0.72 1.03 -0.04 0.20 5.08 -1.27 -0.19 114.58 120.10 1o0l h GLU 164 Ca 0.10 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1o0l h GLU 164 Cb 0.75 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1o0l h GLU 164 CO 0.06 0.94 -0.53 0.78 -1.00 0.00 0.00 179.01 179.26 1o0l h GLY 165 N 0.94 0.12 0.66 -3.84 0.00 -0.89 -2.58 103.07 97.48 1o0l h GLY 165 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1o0l h GLY 165 CO 0.01 0.12 -0.18 -0.57 0.00 0.00 0.00 176.54 175.92 1o0l h ASN 166 N 0.09 -0.43 0.11 0.19 -0.73 -0.39 -3.14 115.58 111.28 1o0l h ASN 166 Ca -0.00 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.01 1o0l h ASN 166 Cb 0.97 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.67 1o0l h ASN 166 CO 0.08 -0.05 -0.09 4.11 -0.37 0.00 0.00 177.43 181.10 1o0l h TRP 167 N -0.85 0.00 -0.77 0.67 5.08 -1.08 -0.48 115.95 118.51 1o0l h TRP 167 Ca -0.05 0.00 0.07 0.00 1.08 0.00 0.00 58.89 59.99 1o0l h TRP 167 Cb 0.54 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.64 1o0l h TRP 167 CO 0.02 0.09 0.45 0.00 -1.28 0.00 0.00 178.44 177.72 1o0l h ALA 168 N 1.91 1.05 0.01 0.11 0.00 -1.41 0.47 119.26 121.40 1o0l h ALA 168 Ca -0.00 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1o0l h ALA 168 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1o0l h ALA 168 CO 0.01 0.14 -1.56 0.77 0.00 0.00 0.00 179.25 178.60 1o0l h SER 169 N 0.81 0.03 0.65 0.00 0.02 -1.39 -3.30 113.55 110.36 1o0l h SER 169 Ca 0.35 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.98 1o0l h SER 169 Cb 0.22 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1o0l h SER 169 CO -0.19 1.05 -1.48 -0.37 -1.14 0.00 0.00 176.83 174.69 1o0l h VAL 170 N 0.01 1.11 0.04 2.27 -1.51 -0.84 -2.74 116.25 114.58 1o0l h VAL 170 Ca -0.23 -2.92 -0.23 0.00 -1.23 0.00 0.00 66.70 62.09 1o0l h VAL 170 Cb 1.96 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 33.67 1o0l h VAL 170 CO 0.09 0.63 -1.01 -0.09 -1.23 0.00 0.00 177.57 175.97 1o0l h ARG 171 N 0.00 0.31 -0.00 5.19 2.43 -0.25 -3.15 114.38 118.90 1o0l h ARG 171 Ca -0.20 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1o0l h ARG 171 Cb 1.93 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1o0l h ARG 171 CO 0.09 1.10 -0.35 2.41 -1.51 0.00 0.00 179.97 181.71 1o0l n THR 172 N -3.66 0.00 0.06 0.20 -1.04 -1.24 -2.90 114.28 105.70 1o0l n THR 172 Ca -0.06 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 1o0l n THR 172 Cb 0.88 0.13 -0.06 0.00 -1.82 0.00 0.00 70.33 69.45 1o0l n THR 172 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1o0l h VAL 173 N 0.23 0.88 -0.97 12.58 3.04 -1.48 -3.33 116.25 127.20 1o0l h VAL 173 Ca 0.00 -2.42 -0.54 0.00 -1.01 0.00 0.00 66.70 62.73 1o0l h VAL 173 Cb 0.49 2.35 -0.42 0.00 -2.01 0.00 0.00 31.29 31.70 1o0l h VAL 173 CO 0.00 0.50 -0.81 0.18 -1.01 0.00 0.00 177.57 176.43 1o0l n LEU 174 N -3.10 4.63 0.25 3.16 4.77 -1.20 -4.78 117.00 120.73 1o0l n LEU 174 Ca -0.05 -4.79 0.13 0.00 -0.03 0.00 0.00 56.01 51.27 1o0l n LEU 174 Cb 0.86 -0.32 0.58 0.00 -2.33 0.00 0.00 43.42 42.20 1o0l n LEU 174 CO 0.43 2.09 0.89 0.71 -1.33 0.00 0.00 177.39 180.18 1o0l h THR 175 N 2.48 0.36 0.00 -5.08 1.35 -1.65 -2.88 112.91 107.48 1o0l h THR 175 Ca 0.32 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1o0l h THR 175 Cb 1.33 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1o0l h THR 175 CO 0.75 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1o0l n GLY 176 N 0.01 -0.99 0.00 5.82 0.00 -1.26 -3.62 105.19 105.14 1o0l n GLY 176 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1o0l n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o0l n ALA 177 N -0.58 2.57 -1.67 4.61 0.00 -1.09 -4.44 120.51 119.91 1o0l n ALA 177 Ca 0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1o0l n ALA 177 Cb 0.02 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 1o0l n ALA 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1o0l n VAL 178 N -1.01 3.47 -0.70 0.00 0.31 -1.24 -4.53 118.33 114.63 1o0l n VAL 178 Ca 0.21 -2.93 0.08 0.00 -0.01 0.00 0.00 64.34 61.70 1o0l n VAL 178 Cb 0.11 -2.60 0.33 0.00 -0.91 0.00 0.00 33.84 30.76 1o0l n VAL 178 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1o0l n ALA 179 N 5.92 3.11 -0.13 3.52 0.00 -1.26 -4.40 120.51 127.26 1o0l n ALA 179 Ca 0.54 -1.74 -0.22 0.00 0.00 0.00 0.00 53.44 52.02 1o0l n ALA 179 Cb 0.38 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 1o0l n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1o0l n LEU 180 N 0.67 2.64 -4.56 0.00 4.77 -1.26 -4.82 117.00 114.43 1o0l n LEU 180 Ca 0.24 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 1o0l n LEU 180 Cb 0.90 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1o0l n LEU 180 CO 0.22 0.82 1.41 -0.83 -1.33 0.00 0.00 177.39 177.68 1o0l s GLY 181 N -6.18 0.06 -0.12 -0.72 0.00 -1.26 -3.77 107.32 95.33 1o0l s GLY 181 Ca -0.36 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.10 1o0l s GLY 181 CO 0.56 3.57 0.10 0.00 0.00 0.00 0.00 173.10 177.34 1o0l s ALA 182 N 10.41 3.71 0.00 3.20 0.00 -1.26 -5.07 121.76 132.75 1o0l s ALA 182 Ca 0.73 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1o0l s ALA 182 Cb -0.09 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1o0l s ALA 182 CO 0.06 0.57 0.46 1.28 0.00 0.00 0.00 175.76 178.12