#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 4.18 -0.01 1.61 0.02 -1.26 -4.94 135.00 134.61 1o0l s PRO -3 Ca 0.00 2.46 -0.25 0.00 0.02 0.00 0.00 61.00 63.22 1o0l s PRO -3 Cb 0.00 -3.12 -0.19 0.00 0.02 0.00 0.00 34.50 31.21 1o0l s PRO -3 CO 0.00 -0.65 1.33 -0.07 -0.33 0.00 0.00 177.00 177.28 1o0l h LEU -2 N 6.58 0.02 0.00 -5.54 4.07 -2.00 -3.49 115.31 114.95 1o0l h LEU -2 Ca -0.43 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1o0l h LEU -2 Cb 1.20 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1o0l h LEU -2 CO 0.91 0.44 0.00 0.61 -1.08 0.00 0.00 178.44 179.33 1o0l n GLY -1 N 0.07 1.09 0.22 0.83 0.00 -1.26 -5.01 105.19 101.12 1o0l n GLY -1 Ca -0.08 0.38 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 1o0l n GLY -1 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o0l h SER 0 N 0.00 0.94 -4.36 1.61 4.64 -2.05 -3.46 113.55 110.87 1o0l h SER 0 Ca 0.00 -0.64 -0.27 0.00 -0.47 0.00 0.00 61.79 60.41 1o0l h SER 0 Cb 0.00 -0.28 -0.15 0.00 -0.31 0.00 0.00 62.40 61.66 1o0l h SER 0 CO 0.00 1.43 -0.71 0.00 -0.87 0.00 0.00 176.83 176.68 1o0l s MET 1 N -3.72 0.90 -0.14 4.77 0.00 -1.26 -5.16 119.30 114.70 1o0l s MET 1 Ca -0.10 -1.33 -0.25 0.00 0.00 0.00 0.00 55.69 54.00 1o0l s MET 1 Cb 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 34.83 34.58 1o0l s MET 1 CO 0.90 0.03 0.62 0.00 0.00 0.00 0.00 175.02 176.57 1o0l s ALA 2 N -3.29 -1.56 -0.12 3.16 0.00 -1.26 -4.68 121.76 114.00 1o0l s ALA 2 Ca 0.12 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.49 1o0l s ALA 2 Cb 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1o0l s ALA 2 CO -0.02 -0.32 -0.02 0.95 0.00 0.00 0.00 175.76 176.34 1o0l s THR 3 N -0.47 4.06 -2.00 0.00 -4.23 -1.26 -4.99 115.64 106.75 1o0l s THR 3 Ca -0.06 -0.32 0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1o0l s THR 3 Cb -0.03 -2.74 0.61 0.00 1.34 0.00 0.00 72.50 71.68 1o0l s THR 3 CO 0.05 0.54 1.73 -2.65 -0.54 0.00 0.00 174.62 173.75 1o0l n PRO 4 N 2.89 0.84 -3.03 3.99 -0.02 -1.26 -4.25 135.00 134.15 1o0l n PRO 4 Ca -0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.24 1o0l n PRO 4 Cb 0.53 -1.40 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 1o0l n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1o0l s ALA 5 N -2.00 -1.67 -0.37 3.55 0.00 -1.26 -5.12 121.76 114.89 1o0l s ALA 5 Ca 0.32 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 1o0l s ALA 5 Cb 0.15 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1o0l s ALA 5 CO 0.25 -2.20 0.25 -1.54 0.00 0.00 0.00 175.76 172.52 1o0l s SER 6 N 1.16 5.96 -0.18 0.00 1.04 -1.26 -5.07 113.70 115.34 1o0l s SER 6 Ca 0.24 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.83 1o0l s SER 6 Cb -0.03 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1o0l s SER 6 CO -0.07 -0.35 0.12 0.00 0.98 0.00 0.00 173.24 173.92 1o0l s ALA 7 N 1.66 3.66 -1.24 5.32 0.00 -1.26 -5.03 121.76 124.87 1o0l s ALA 7 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1o0l s ALA 7 Cb -0.18 -2.09 0.17 0.00 0.00 0.00 0.00 23.12 21.02 1o0l s ALA 7 CO 0.09 0.24 1.59 -0.35 0.00 0.00 0.00 175.76 177.33 1o0l n PRO 8 N 3.27 3.45 -0.02 0.00 -0.05 -1.26 -4.90 135.00 135.48 1o0l n PRO 8 Ca -0.17 -3.73 0.00 0.00 -0.05 0.00 0.00 63.50 59.56 1o0l n PRO 8 Cb 0.53 -3.02 0.00 0.00 -0.05 0.00 0.00 33.50 30.96 1o0l n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1o0l n ASP 9 N 5.13 0.00 -0.25 3.54 -0.08 -1.26 -4.65 116.55 118.98 1o0l n ASP 9 Ca 0.38 -0.07 0.05 0.00 -1.51 0.00 0.00 54.79 53.64 1o0l n ASP 9 Cb 0.41 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.04 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 -0.05 0.51 -0.29 5.18 1.35 -1.98 0.12 112.91 117.75 1o0l h THR 10 Ca 0.00 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 1o0l h THR 10 Cb 0.00 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 1o0l h THR 10 CO 0.00 0.05 0.10 0.08 -0.25 0.00 0.00 175.52 175.49 1o0l h ARG 11 N 0.25 0.41 0.07 4.72 0.11 -1.97 0.60 114.38 118.59 1o0l h ARG 11 Ca 0.41 -0.05 -0.24 0.00 0.10 0.00 0.00 59.98 60.20 1o0l h ARG 11 Cb 0.70 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1o0l h ARG 11 CO -0.51 0.37 -1.09 0.00 0.10 0.00 0.00 179.97 178.83 1o0l h ALA 12 N 1.70 0.26 -0.14 0.08 0.00 -1.33 -2.60 119.26 117.22 1o0l h ALA 12 Ca 0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 54.91 54.00 1o0l h ALA 12 Cb 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1o0l h ALA 12 CO -0.01 0.97 -0.64 1.25 0.00 0.00 0.00 179.25 180.82 1o0l h LEU 13 N 0.10 0.80 -0.92 0.00 5.85 -0.03 -1.42 115.31 119.69 1o0l h LEU 13 Ca -0.09 -0.63 -0.08 0.00 0.84 0.00 0.00 57.88 57.91 1o0l h LEU 13 Cb 1.79 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1o0l h LEU 13 CO 0.17 1.30 -0.10 1.62 -0.34 0.00 0.00 178.44 181.09 1o0l h VAL 14 N 0.35 1.25 0.00 1.05 3.04 0.11 -1.47 116.25 120.57 1o0l h VAL 14 Ca -0.04 -1.10 -0.05 0.00 -1.01 0.00 0.00 66.70 64.49 1o0l h VAL 14 Cb 1.28 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 1o0l h VAL 14 CO 0.13 0.37 -0.24 0.00 -1.01 0.00 0.00 177.57 176.82 1o0l h ALA 15 N 1.26 0.95 0.12 3.17 0.00 -1.44 -2.58 119.26 120.74 1o0l h ALA 15 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1o0l h ALA 15 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1o0l h ALA 15 CO 0.03 0.31 -0.06 0.22 0.00 0.00 0.00 179.25 179.75 1o0l h ASP 16 N 0.00 -0.14 -0.21 0.00 3.58 -0.44 -0.38 116.42 118.83 1o0l h ASP 16 Ca -0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 1o0l h ASP 16 Cb 0.88 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 1o0l h ASP 16 CO 0.03 0.03 -0.10 0.15 -2.88 0.00 0.00 179.24 176.48 1o0l h PHE 17 N -0.43 -0.23 -0.41 0.28 3.57 -1.41 0.45 116.94 118.76 1o0l h PHE 17 Ca -0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1o0l h PHE 17 Cb 0.13 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1o0l h PHE 17 CO 0.04 -0.15 -0.09 0.28 -2.23 0.00 0.00 178.31 176.16 1o0l h VAL 18 N -0.07 1.27 0.26 1.41 2.07 -1.63 -2.05 116.25 117.51 1o0l h VAL 18 Ca 0.11 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1o0l h VAL 18 Cb 0.24 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1o0l h VAL 18 CO -0.26 0.40 -0.12 1.23 0.02 0.00 0.00 177.57 178.84 1o0l h GLY 19 N 0.60 -0.36 0.59 2.17 0.00 -0.59 0.09 103.07 105.57 1o0l h GLY 19 Ca 0.10 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1o0l h GLY 19 CO 0.04 -0.13 0.21 -1.82 0.00 0.00 0.00 176.54 174.84 1o0l h TYR 20 N -0.36 0.38 -0.53 5.60 5.03 -0.11 0.60 116.97 127.58 1o0l h TYR 20 Ca -0.04 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1o0l h TYR 20 Cb 0.27 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 1o0l h TYR 20 CO -0.06 0.15 -0.00 -0.22 -1.32 0.00 0.00 178.16 176.71 1o0l h LYS 21 N 0.41 0.94 -0.10 1.82 3.64 -1.24 -0.72 116.57 121.33 1o0l h LYS 21 Ca 0.24 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1o0l h LYS 21 Cb 0.23 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1o0l h LYS 21 CO -0.22 0.96 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.74 1o0l h LEU 22 N 0.82 0.27 -2.10 5.20 4.07 -0.52 -2.83 115.31 120.22 1o0l h LEU 22 Ca 0.15 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1o0l h LEU 22 Cb 0.54 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1o0l h LEU 22 CO 0.03 0.71 0.00 -0.09 -1.08 0.00 0.00 178.44 178.01 1o0l h ARG 23 N -0.18 0.00 0.09 1.13 2.43 0.23 0.55 114.38 118.63 1o0l h ARG 23 Ca 0.01 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 1o0l h ARG 23 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1o0l h ARG 23 CO 0.03 0.00 -1.14 0.37 -1.51 0.00 0.00 179.97 177.72 1o0l h GLN 24 N 0.00 0.28 -1.05 0.20 4.15 -0.90 -3.38 115.11 114.41 1o0l h GLN 24 Ca 0.00 -0.41 -0.24 0.00 0.77 0.00 0.00 58.65 58.76 1o0l h GLN 24 Cb 0.20 0.15 -0.20 0.00 0.21 0.00 0.00 27.48 27.83 1o0l h GLN 24 CO 0.00 1.16 -0.59 0.36 -1.93 0.00 0.00 178.83 177.84 1o0l n LYS 25 N -3.58 0.54 0.00 1.69 2.85 -0.73 -5.01 118.16 113.93 1o0l n LYS 25 Ca -0.07 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.00 1o0l n LYS 25 Cb 0.96 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 1o0l n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1o0l n GLY 26 N 2.62 0.76 2.36 2.58 0.00 -0.56 -4.83 105.19 108.11 1o0l n GLY 26 Ca 0.18 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.43 0.09 1.61 9.36 0.18 -4.42 117.16 125.41 1o0l n TYR 27 Ca 0.00 -2.05 -0.14 0.00 3.32 0.00 0.00 57.90 59.03 1o0l n TYR 27 Cb 0.00 -1.58 -0.12 0.00 -0.63 0.00 0.00 39.34 37.01 1o0l n TYR 27 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1o0l h VAL 28 N 2.16 1.53 -0.66 2.97 2.07 -1.74 -3.25 116.25 119.33 1o0l h VAL 28 Ca 0.43 -3.04 -0.08 0.00 0.82 0.00 0.00 66.70 64.83 1o0l h VAL 28 Cb 0.82 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 1o0l h VAL 28 CO 0.88 0.88 0.11 0.00 0.02 0.00 0.00 177.57 179.46 1o0l n GLY 30 N -0.60 5.38 3.72 0.00 0.00 -1.23 -4.99 105.19 107.48 1o0l n GLY 30 Ca 0.04 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.45 3.74 0.00 4.61 0.00 -1.16 -4.35 121.76 122.15 1o0l s ALA 31 Ca 0.50 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1o0l s ALA 31 Cb 0.24 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1o0l s ALA 31 CO -0.16 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1o0l n GLY 32 N 3.44 1.21 0.15 0.00 0.00 -1.26 -5.00 105.19 103.73 1o0l n GLY 32 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.44 -0.99 1.61 0.11 -1.87 -2.84 132.00 128.47 1o0l h PRO 33 Ca 0.00 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 65.41 1o0l h PRO 33 Cb 0.00 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 30.73 1o0l h PRO 33 CO 0.00 0.40 0.80 0.41 -0.21 0.00 0.00 178.00 179.40 1o0l n GLY 34 N -0.90 5.62 0.11 -0.55 0.00 -1.23 -4.37 105.19 103.87 1o0l n GLY 34 Ca -0.02 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 43.98 1o0l n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1o0l h GLU 35 N 1.80 0.00 -5.76 1.61 4.11 -1.84 -3.41 114.58 111.09 1o0l h GLU 35 Ca 0.61 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 59.39 1o0l h GLU 35 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1o0l h GLU 35 CO 1.48 0.17 -0.44 0.20 0.07 0.00 0.00 179.01 180.49 1o0l s GLY 36 N -4.57 2.21 0.00 1.06 0.00 -1.26 -5.07 107.32 99.69 1o0l s GLY 36 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1o0l s GLY 36 CO 0.79 -0.39 0.00 -1.55 0.00 0.00 0.00 173.10 171.95 1o0l n PRO 37 N 1.57 2.91 -2.53 2.90 -0.04 -1.26 -4.94 135.00 133.61 1o0l n PRO 37 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 1o0l n PRO 37 Cb 0.54 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -2.94 3.02 -0.14 0.55 0.00 -1.26 -4.64 121.76 116.35 1o0l s ALA 38 Ca 0.00 -2.65 0.19 0.00 0.00 0.00 0.00 51.96 49.50 1o0l s ALA 38 Cb 0.00 -4.61 0.45 0.00 0.00 0.00 0.00 23.12 18.95 1o0l s ALA 38 CO 0.00 -3.54 1.17 0.00 0.00 0.00 0.00 175.76 173.39 1o0l n ALA 39 N 9.01 3.05 -2.16 0.00 0.00 -1.26 -4.53 120.51 124.62 1o0l n ALA 39 Ca 0.44 -2.84 -0.10 0.00 0.00 0.00 0.00 53.44 50.94 1o0l n ALA 39 Cb 0.48 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.89 0.31 -0.06 0.00 1.01 -1.26 -5.01 116.67 108.76 1o0l s ASP 40 Ca 0.35 -1.23 -0.05 0.00 0.71 0.00 0.00 52.55 52.34 1o0l s ASP 40 Cb 0.37 0.30 -0.21 0.00 1.01 0.00 0.00 42.92 44.40 1o0l s ASP 40 CO -0.09 -0.74 3.41 -0.81 0.21 0.00 0.00 175.17 177.16 1o0l n PRO 41 N -0.11 2.00 0.00 8.23 -0.04 -1.26 -2.89 135.00 140.93 1o0l n PRO 41 Ca -0.05 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1o0l n PRO 41 Cb 0.64 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.21 0.00 0.40 1.53 -0.00 -1.26 -4.23 117.00 115.65 1o0l n LEU 42 Ca 0.41 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 56.24 1o0l n LEU 42 Cb 0.85 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.17 1o0l n LEU 42 CO 0.14 0.00 0.61 0.45 -0.00 0.00 0.00 177.39 178.59 1o0l h HIS 43 N 0.00 -0.93 -0.04 1.47 3.86 -1.90 0.86 115.15 118.47 1o0l h HIS 43 Ca 0.00 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1o0l h HIS 43 Cb 0.00 0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1o0l h HIS 43 CO 0.00 -0.57 0.04 1.96 0.86 0.00 0.00 177.93 180.22 1o0l h GLN 44 N -1.03 0.00 0.07 2.45 4.20 -1.79 0.40 115.11 119.41 1o0l h GLN 44 Ca -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1o0l h GLN 44 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1o0l h GLN 44 CO 0.17 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.30 1o0l h ALA 45 N 1.95 -0.09 -0.51 3.87 0.00 -1.64 -3.06 119.26 119.79 1o0l h ALA 45 Ca 0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1o0l h ALA 45 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1o0l h ALA 45 CO -0.00 -0.17 -0.08 1.98 0.00 0.00 0.00 179.25 180.98 1o0l h MET 46 N -0.84 0.92 -0.79 0.00 4.05 -0.39 -1.75 114.93 116.13 1o0l h MET 46 Ca -0.01 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 1o0l h MET 46 Cb 0.63 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 1o0l h MET 46 CO 0.01 0.96 0.47 -0.09 0.23 0.00 0.00 176.91 178.49 1o0l h ARG 47 N 0.83 1.07 0.14 0.39 1.12 -1.05 0.20 114.38 117.08 1o0l h ARG 47 Ca 0.14 -0.10 -0.25 0.00 -1.11 0.00 0.00 59.98 58.67 1o0l h ARG 47 Cb 0.60 -0.22 0.03 0.00 -0.01 0.00 0.00 29.97 30.36 1o0l h ARG 47 CO 0.04 0.76 -1.04 0.00 -3.11 0.00 0.00 179.97 176.62 1o0l h ALA 48 N 1.42 -0.06 0.54 2.80 0.00 -1.42 -2.72 119.26 119.82 1o0l h ALA 48 Ca 0.28 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1o0l h ALA 48 Cb -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1o0l h ALA 48 CO -0.05 0.53 -0.34 0.00 0.00 0.00 0.00 179.25 179.38 1o0l h ALA 49 N 0.20 -0.86 -0.56 0.00 0.00 -1.13 -0.46 119.26 116.45 1o0l h ALA 49 Ca -0.17 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.69 1o0l h ALA 49 Cb 1.78 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 19.90 1o0l h ALA 49 CO 0.20 -1.00 0.03 0.78 0.00 0.00 0.00 179.25 179.26 1o0l h GLY 50 N -0.84 0.61 0.90 0.00 0.00 -0.72 0.92 103.07 103.95 1o0l h GLY 50 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1o0l h GLY 50 CO 0.06 -0.15 0.15 -1.80 0.00 0.00 0.00 176.54 174.79 1o0l h ASP 51 N 0.15 0.23 -0.45 0.19 1.82 -1.25 0.72 116.42 117.83 1o0l h ASP 51 Ca 0.29 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1o0l h ASP 51 Cb 0.45 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 1o0l h ASP 51 CO -0.45 0.17 0.29 -0.08 -1.61 0.00 0.00 179.24 177.56 1o0l h GLU 52 N 0.31 0.57 -0.14 0.28 4.57 -0.19 -1.26 114.58 118.72 1o0l h GLU 52 Ca 0.11 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.11 1o0l h GLU 52 Cb 0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1o0l h GLU 52 CO -0.07 0.37 -0.56 0.35 -1.18 0.00 0.00 179.01 177.93 1o0l h PHE 53 N 0.58 0.55 0.00 0.92 3.57 -0.54 -1.10 116.94 120.91 1o0l h PHE 53 Ca 0.17 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1o0l h PHE 53 Cb -0.05 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1o0l h PHE 53 CO -0.05 0.90 -0.07 1.49 -2.23 0.00 0.00 178.31 178.35 1o0l h GLU 54 N 0.33 0.00 0.00 1.11 4.57 0.94 0.89 114.58 122.42 1o0l h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1o0l h GLU 54 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1o0l h GLU 54 CO 0.10 0.07 -1.44 2.41 -1.18 0.00 0.00 179.01 178.97 1o0l n THR 55 N -3.65 0.24 -0.11 0.32 -1.04 -0.52 -4.44 114.28 105.09 1o0l n THR 55 Ca -0.02 -0.45 -0.17 0.00 -2.04 0.00 0.00 64.05 61.37 1o0l n THR 55 Cb 0.17 -0.04 -0.13 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.32 0.67 -2.81 -2.82 1.74 -0.45 -4.84 116.66 105.83 1o0l n ARG 56 Ca -0.01 0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1o0l n ARG 56 Cb 0.53 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.52 2.72 -2.36 -1.55 5.36 0.30 -4.86 117.98 115.06 1o0l s PHE 57 Ca -0.29 -0.12 0.29 0.00 -0.96 0.00 0.00 56.93 55.84 1o0l s PHE 57 Cb 0.08 -4.18 1.23 0.00 -0.34 0.00 0.00 43.02 39.81 1o0l s PHE 57 CO 0.66 -1.48 1.84 0.54 -1.46 0.00 0.00 175.22 175.32 1o0l n ARG 58 N 7.70 1.49 -2.92 10.12 1.74 -1.26 -4.20 116.66 129.33 1o0l n ARG 58 Ca 0.01 -0.74 -0.24 0.00 -0.77 0.00 0.00 57.85 56.11 1o0l n ARG 58 Cb 0.47 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1o0l n ARG 58 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1o0l n ARG 59 N -0.11 2.66 0.00 5.56 0.63 -1.26 -4.75 116.66 119.38 1o0l n ARG 59 Ca 0.20 -4.40 0.00 0.00 -0.92 0.00 0.00 57.85 52.72 1o0l n ARG 59 Cb 0.30 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.14 1o0l n ARG 59 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1o0l n THR 60 N -0.15 0.05 -0.01 5.15 -1.04 -1.26 -4.73 114.28 112.30 1o0l n THR 60 Ca 0.30 -0.52 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1o0l n THR 60 Cb 0.51 0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 70.00 1o0l n THR 60 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1o0l n PHE 61 N -0.03 0.00 0.14 -1.42 3.01 -1.26 -4.66 117.46 113.24 1o0l n PHE 61 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1o0l n PHE 61 Cb 0.02 -0.06 0.38 0.00 -0.01 0.00 0.00 39.48 39.81 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 0.17 1.28 4.37 0.02 -1.90 -2.06 113.55 115.43 1o0l h SER 62 Ca -0.03 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1o0l h SER 62 Cb 0.96 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 1o0l h SER 62 CO 0.00 0.38 -0.00 0.44 -1.14 0.00 0.00 176.83 176.51 1o0l h ASP 63 N 0.17 0.00 -0.28 3.07 5.19 -1.85 -0.55 116.42 122.17 1o0l h ASP 63 Ca 0.03 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 1o0l h ASP 63 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1o0l h ASP 63 CO 0.03 0.00 -0.52 -0.07 -3.12 0.00 0.00 179.24 175.57 1o0l h LEU 64 N 0.00 0.94 -0.03 1.55 4.07 -1.64 -1.76 115.31 118.45 1o0l h LEU 64 Ca -0.00 -0.53 -0.16 0.00 0.08 0.00 0.00 57.88 57.26 1o0l h LEU 64 Cb 0.64 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.12 1o0l h LEU 64 CO 0.00 1.30 -0.63 0.00 -1.08 0.00 0.00 178.44 178.03 1o0l h ALA 65 N 0.67 0.11 -0.79 1.53 0.00 -1.46 -2.82 119.26 116.51 1o0l h ALA 65 Ca 0.01 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.46 1o0l h ALA 65 Cb 1.13 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1o0l h ALA 65 CO 0.12 0.39 0.42 0.00 0.00 0.00 0.00 179.25 180.18 1o0l h ALA 66 N 0.36 1.12 0.54 0.00 0.00 -1.10 0.20 119.26 120.38 1o0l h ALA 66 Ca -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1o0l h ALA 66 Cb 1.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1o0l h ALA 66 CO 0.12 0.02 -0.26 1.96 0.00 0.00 0.00 179.25 181.09 1o0l h GLN 67 N 0.70 -0.70 -0.25 0.00 4.20 -1.35 -3.09 115.11 114.62 1o0l h GLN 67 Ca 0.39 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1o0l h GLN 67 Cb 0.40 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1o0l h GLN 67 CO -0.27 -0.40 0.00 1.28 -0.67 0.00 0.00 178.83 178.77 1o0l n LEU 68 N -5.32 0.40 0.16 1.46 7.99 -1.06 -3.47 117.00 117.16 1o0l n LEU 68 Ca -0.11 -0.20 0.04 0.00 -0.01 0.00 0.00 56.01 55.73 1o0l n LEU 68 Cb 0.33 -0.13 0.13 0.00 -0.11 0.00 0.00 43.42 43.64 1o0l n LEU 68 CO 0.32 0.09 0.56 -0.74 -1.51 0.00 0.00 177.39 176.11 1o0l h HIS 69 N 0.18 0.00 0.00 -1.77 2.76 -0.51 -3.39 115.15 112.42 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 0.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1o0l h HIS 69 CO 0.03 0.43 0.00 0.28 -1.30 0.00 0.00 177.93 177.37 1o0l n VAL 70 N -3.29 0.00 -3.57 5.26 0.31 -1.23 -5.09 118.33 110.73 1o0l n VAL 70 Ca 0.01 0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 1o0l n VAL 70 Cb 0.65 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.61 1o0l n VAL 70 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1o0l s THR 71 N -0.36 0.00 1.09 2.52 -4.23 -1.26 -5.18 115.64 108.22 1o0l s THR 71 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1o0l s THR 71 Cb 0.00 -1.00 0.24 0.00 1.34 0.00 0.00 72.50 73.08 1o0l s THR 71 CO 0.00 0.00 1.13 -2.84 -0.54 0.00 0.00 174.62 172.37 1o0l s PRO 72 N -0.48 -0.36 0.00 3.99 0.02 -1.26 -4.14 135.00 132.77 1o0l s PRO 72 Ca -0.06 0.08 0.00 0.00 0.02 0.00 0.00 61.00 61.04 1o0l s PRO 72 Cb -0.02 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1o0l s PRO 72 CO 0.05 -3.17 0.00 0.41 -0.33 0.00 0.00 177.00 173.97 1o0l n GLY 73 N -1.42 1.88 2.18 0.52 0.00 -1.26 -4.76 105.19 102.32 1o0l n GLY 73 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1o0l n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o0l n SER 74 N 3.49 3.91 -0.02 1.61 3.41 -1.26 -3.64 113.62 121.12 1o0l n SER 74 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1o0l n SER 74 Cb 0.00 -1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 62.86 1o0l n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o0l n ALA 75 N 2.76 2.06 0.08 7.33 0.00 -1.26 -4.47 120.51 127.00 1o0l n ALA 75 Ca 0.33 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1o0l n ALA 75 Cb 0.61 -0.09 0.34 0.00 0.00 0.00 0.00 19.45 20.31 1o0l n ALA 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1o0l h GLN 76 N 0.00 0.32 -0.11 0.00 3.07 -1.99 0.86 115.11 117.25 1o0l h GLN 76 Ca -0.10 -0.08 -0.17 0.00 0.09 0.00 0.00 58.65 58.39 1o0l h GLN 76 Cb 0.92 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 1o0l h GLN 76 CO 0.01 0.46 -0.64 1.96 0.09 0.00 0.00 178.83 180.70 1o0l h GLN 77 N 0.30 0.42 -0.20 0.06 7.50 -1.87 -0.88 115.11 120.44 1o0l h GLN 77 Ca 0.06 -0.31 -0.09 0.00 0.50 0.00 0.00 58.65 58.81 1o0l h GLN 77 Cb 0.42 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1o0l h GLN 77 CO 0.02 0.93 -0.24 0.00 -1.50 0.00 0.00 178.83 178.04 1o0l h ARG 78 N 0.31 0.51 -0.12 1.46 3.08 -1.62 -2.51 114.38 115.48 1o0l h ARG 78 Ca -0.01 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1o0l h ARG 78 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1o0l h ARG 78 CO 0.11 0.87 0.06 0.35 -1.07 0.00 0.00 179.97 180.29 1o0l h PHE 79 N 0.18 0.17 -0.57 3.04 3.57 -0.81 -2.59 116.94 119.93 1o0l h PHE 79 Ca 0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1o0l h PHE 79 Cb 0.80 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1o0l h PHE 79 CO 0.08 0.23 0.38 1.79 -2.23 0.00 0.00 178.31 178.56 1o0l h THR 80 N 0.07 1.00 0.69 4.41 1.35 -1.18 -0.20 112.91 119.06 1o0l h THR 80 Ca 0.04 -0.19 -0.03 0.00 -0.55 0.00 0.00 66.41 65.68 1o0l h THR 80 Cb 0.12 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 66.94 1o0l h THR 80 CO -0.01 0.10 -0.34 1.56 -0.25 0.00 0.00 175.52 176.58 1o0l h GLN 81 N 0.56 -0.91 -0.24 4.72 1.08 -1.07 -0.73 115.11 118.52 1o0l h GLN 81 Ca 0.25 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.53 1o0l h GLN 81 Cb 0.26 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1o0l h GLN 81 CO -0.07 -0.61 0.16 -0.39 -0.95 0.00 0.00 178.83 176.98 1o0l h VAL 82 N -0.94 1.01 -0.48 -0.54 -1.51 -1.29 -0.40 116.25 112.10 1o0l h VAL 82 Ca -0.10 -0.08 -0.08 0.00 -1.23 0.00 0.00 66.70 65.21 1o0l h VAL 82 Cb 0.73 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1o0l h VAL 82 CO 0.15 0.04 -0.03 0.28 -1.23 0.00 0.00 177.57 176.79 1o0l h SER 83 N 0.24 0.85 -0.37 4.19 0.02 -0.87 0.21 113.55 117.82 1o0l h SER 83 Ca 0.10 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.60 1o0l h SER 83 Cb 0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1o0l h SER 83 CO -0.02 0.97 -0.24 0.44 -1.14 0.00 0.00 176.83 176.84 1o0l h ASP 84 N 0.72 0.90 0.34 3.07 5.19 -0.22 0.18 116.42 126.60 1o0l h ASP 84 Ca 0.13 -0.34 -0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1o0l h ASP 84 Cb 0.55 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1o0l h ASP 84 CO 0.03 1.10 -0.50 -0.33 -3.12 0.00 0.00 179.24 176.42 1o0l h GLU 85 N 0.76 0.18 0.10 3.56 5.08 -0.87 0.65 114.58 124.04 1o0l h GLU 85 Ca 0.10 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1o0l h GLU 85 Cb 0.79 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1o0l h GLU 85 CO 0.07 0.64 -1.17 -0.07 -1.00 0.00 0.00 179.01 177.48 1o0l h LEU 86 N 0.15 0.50 -0.50 1.33 3.38 -0.34 -3.22 115.31 116.61 1o0l h LEU 86 Ca 0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1o0l h LEU 86 Cb 0.94 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1o0l h LEU 86 CO 0.07 1.35 -0.18 0.33 0.09 0.00 0.00 178.44 180.10 1o0l n PHE 87 N -3.62 0.00 -0.31 1.13 7.35 0.03 -4.17 117.46 117.87 1o0l n PHE 87 Ca -0.09 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.76 1o0l n PHE 87 Cb 0.97 -0.12 0.34 0.00 0.35 0.00 0.00 39.48 41.02 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 1.21 0.25 0.00 -4.13 4.15 -0.87 -3.38 115.11 112.33 1o0l h GLN 88 Ca 0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1o0l h GLN 88 Cb 0.47 -0.06 -0.12 0.00 0.21 0.00 0.00 27.48 27.98 1o0l h GLN 88 CO 0.00 0.17 0.04 0.41 -1.93 0.00 0.00 178.83 177.51 1o0l n GLY 89 N -1.35 -1.56 0.00 2.39 0.00 -1.26 -5.07 105.19 98.34 1o0l n GLY 89 Ca 0.24 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 0.80 -0.79 1.63 -0.02 0.00 -1.26 -4.97 105.19 100.59 1o0l n GLY 90 Ca -0.04 0.27 -0.04 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 1.26 -1.22 1.61 -0.04 -1.26 -4.73 135.00 130.62 1o0l n PRO 91 Ca 0.00 -0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 62.84 1o0l n PRO 91 Cb 0.00 -1.24 0.11 0.00 -0.04 0.00 0.00 33.50 32.32 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 1.88 4.20 0.57 3.54 3.84 -1.26 -4.64 114.94 123.07 1o0l s ASN 92 Ca 0.15 1.77 0.28 0.00 0.21 0.00 0.00 52.86 55.27 1o0l s ASN 92 Cb 0.08 -2.45 1.51 0.00 -0.55 0.00 0.00 41.25 39.85 1o0l s ASN 92 CO -0.00 -2.22 1.99 -0.50 -2.79 0.00 0.00 177.10 173.57 1o0l h TRP 93 N -1.26 0.00 -0.63 0.43 4.06 -1.97 0.35 115.95 116.92 1o0l h TRP 93 Ca -0.45 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.43 1o0l h TRP 93 Cb 1.24 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.38 1o0l h TRP 93 CO 0.54 0.00 0.10 0.78 -3.56 0.00 0.00 178.44 176.31 1o0l h GLY 94 N 0.00 1.13 1.25 1.49 0.00 -1.90 -2.83 103.07 102.22 1o0l h GLY 94 Ca 0.19 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1o0l h GLY 94 CO -0.00 0.70 -0.92 3.21 0.00 0.00 0.00 176.54 179.53 1o0l h ARG 95 N 0.96 0.00 -0.53 4.80 2.47 -1.29 -3.32 114.38 117.47 1o0l h ARG 95 Ca 0.19 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.04 1o0l h ARG 95 Cb 0.43 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 1o0l h ARG 95 CO 0.01 0.14 0.37 1.25 0.56 0.00 0.00 179.97 182.30 1o0l h LEU 96 N 0.00 0.13 0.38 3.04 7.12 -0.16 -0.34 115.31 125.48 1o0l h LEU 96 Ca -0.05 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1o0l h LEU 96 Cb 1.21 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1o0l h LEU 96 CO 0.02 0.08 -0.18 0.58 -0.13 0.00 0.00 178.44 178.81 1o0l h VAL 97 N 0.15 0.64 0.00 1.05 2.07 -1.64 -2.53 116.25 115.98 1o0l h VAL 97 Ca 0.25 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1o0l h VAL 97 Cb 0.79 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1o0l h VAL 97 CO -0.03 0.03 -0.12 0.00 0.02 0.00 0.00 177.57 177.47 1o0l h ALA 98 N 0.03 1.71 0.41 1.67 0.00 -1.37 0.11 119.26 121.81 1o0l h ALA 98 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1o0l h ALA 98 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1o0l h ALA 98 CO 0.08 0.15 -0.35 0.74 0.00 0.00 0.00 179.25 179.88 1o0l h PHE 99 N 0.00 -0.93 0.03 0.00 0.04 -0.70 0.24 116.94 115.62 1o0l h PHE 99 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 1o0l h PHE 99 Cb 0.22 0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.73 1o0l h PHE 99 CO 0.00 -0.50 -1.01 0.74 -0.60 0.00 0.00 178.31 176.94 1o0l h PHE 100 N -0.76 0.68 -0.58 -0.55 -1.00 -1.29 -3.26 116.94 110.19 1o0l h PHE 100 Ca -0.04 -0.39 -0.02 0.00 2.81 0.00 0.00 57.97 60.33 1o0l h PHE 100 Cb 0.66 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 1o0l h PHE 100 CO -0.17 1.22 0.27 0.28 -1.61 0.00 0.00 178.31 178.31 1o0l h VAL 101 N 0.24 1.19 0.29 -0.55 2.07 -0.68 -0.20 116.25 118.60 1o0l h VAL 101 Ca -0.10 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1o0l h VAL 101 Cb 1.66 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1o0l h VAL 101 CO 0.18 0.22 -0.31 -0.26 0.02 0.00 0.00 177.57 177.42 1o0l h PHE 102 N 0.81 -0.83 -0.17 1.57 -1.00 -0.56 0.31 116.94 117.07 1o0l h PHE 102 Ca 0.20 0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.81 1o0l h PHE 102 Cb 0.09 0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 1o0l h PHE 102 CO 0.01 -0.44 -0.64 0.78 -1.61 0.00 0.00 178.31 176.41 1o0l h GLY 103 N -0.64 0.69 1.00 -1.45 0.00 -1.63 -1.63 103.07 99.41 1o0l h GLY 103 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 1o0l h GLY 103 CO -0.07 0.77 0.37 0.00 0.00 0.00 0.00 176.54 177.62 1o0l h ALA 104 N 0.83 0.86 -0.36 3.60 0.00 -0.91 0.28 119.26 123.56 1o0l h ALA 104 Ca -0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1o0l h ALA 104 Cb 1.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1o0l h ALA 104 CO 0.12 0.37 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 1o0l h ALA 105 N 1.19 0.53 -0.39 0.00 0.00 -0.94 -2.12 119.26 117.52 1o0l h ALA 105 Ca 0.24 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1o0l h ALA 105 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1o0l h ALA 105 CO -0.04 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.24 1o0l h LEU 106 N 0.70 0.20 -0.47 0.00 6.46 -0.77 -2.45 115.31 118.98 1o0l h LEU 106 Ca 0.06 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1o0l h LEU 106 Cb 0.96 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1o0l h LEU 106 CO 0.09 0.15 0.24 0.00 -0.62 0.00 0.00 178.44 178.31 1o0l h ALA 108 N 1.09 1.86 0.00 0.00 0.00 -0.99 -1.32 119.26 119.89 1o0l h ALA 108 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1o0l h ALA 108 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1o0l h ALA 108 CO -0.02 0.04 -0.59 0.93 0.00 0.00 0.00 179.25 179.62 1o0l h GLU 109 N 0.53 0.00 0.00 0.00 5.08 -1.09 -3.29 114.58 115.82 1o0l h GLU 109 Ca 0.25 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1o0l h GLU 109 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1o0l h GLU 109 CO -0.07 0.29 -0.78 0.66 -1.00 0.00 0.00 179.01 178.11 1o0l h SER 110 N 0.00 0.00 -0.13 1.42 4.64 -0.51 -3.14 113.55 115.83 1o0l h SER 110 Ca -0.03 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 1o0l h SER 110 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1o0l h SER 110 CO 0.04 0.78 -0.42 0.58 -0.87 0.00 0.00 176.83 176.94 1o0l h VAL 111 N 0.00 1.29 -0.04 0.95 2.07 -1.42 -2.69 116.25 116.41 1o0l h VAL 111 Ca -0.01 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1o0l h VAL 111 Cb 1.59 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1o0l h VAL 111 CO 0.10 0.51 0.00 -0.46 0.02 0.00 0.00 177.57 177.74 1o0l n ASN 112 N -4.03 0.76 0.00 0.57 0.23 -1.23 -4.85 115.26 106.72 1o0l n ASN 112 Ca -0.02 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 1o0l n ASN 112 Cb 0.54 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1o0l n ASN 112 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1o0l n LYS 113 N -0.36 3.72 -2.06 -3.83 5.02 -1.03 -5.05 118.16 114.58 1o0l n LYS 113 Ca 0.19 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.14 1o0l n LYS 113 Cb 0.22 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.25 1o0l n LYS 113 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o0l n GLU 114 N 0.00 3.06 -2.59 1.97 1.02 -1.26 -4.58 120.64 118.26 1o0l n GLU 114 Ca 0.00 -3.89 -0.03 0.00 -0.02 0.00 0.00 57.16 53.22 1o0l n GLU 114 Cb 0.00 -2.27 0.05 0.00 -0.02 0.00 0.00 31.44 29.20 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 -0.58 1.88 0.04 3.49 2.81 -1.12 -4.93 117.12 118.71 1o0l n MET 115 Ca 0.49 -3.49 -0.11 0.00 -1.81 0.00 0.00 57.70 52.78 1o0l n MET 115 Cb 0.49 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 1o0l n MET 115 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1o0l h GLU 116 N 2.41 -0.12 0.00 0.03 3.07 -1.80 -2.00 114.58 116.17 1o0l h GLU 116 Ca -0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1o0l h GLU 116 Cb 1.35 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1o0l h GLU 116 CO 0.26 -0.08 0.00 -2.30 -1.40 0.00 0.00 179.01 175.49 1o0l n PRO 117 N -5.20 0.07 0.10 2.33 -0.02 -1.26 -1.55 135.00 129.47 1o0l n PRO 117 Ca -0.06 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1o0l n PRO 117 Cb 0.12 -1.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1o0l n PRO 117 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1o0l h LEU 118 N 0.00 0.00 0.34 2.45 4.07 -1.76 -3.33 115.31 117.08 1o0l h LEU 118 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1o0l h LEU 118 Cb 0.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1o0l h LEU 118 CO 0.00 0.40 -0.23 0.58 -1.08 0.00 0.00 178.44 178.11 1o0l h VAL 119 N 0.00 0.51 0.00 1.22 2.07 -1.18 -0.47 116.25 118.41 1o0l h VAL 119 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1o0l h VAL 119 Cb 1.36 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1o0l h VAL 119 CO 0.04 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.79 1o0l h GLY 120 N -0.56 0.00 0.61 2.17 0.00 -1.71 -1.23 103.07 102.35 1o0l h GLY 120 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1o0l h GLY 120 CO 0.02 0.00 -0.10 1.46 0.00 0.00 0.00 176.54 177.91 1o0l h GLN 121 N 0.00 -0.28 -0.69 4.80 4.20 -1.54 -0.74 115.11 120.87 1o0l h GLN 121 Ca -0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.83 1o0l h GLN 121 Cb 0.13 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1o0l h GLN 121 CO 0.01 0.07 0.46 0.28 -0.67 0.00 0.00 178.83 178.98 1o0l h VAL 122 N -0.68 0.90 -0.28 -0.54 2.07 -0.74 0.60 116.25 117.58 1o0l h VAL 122 Ca -0.03 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1o0l h VAL 122 Cb 0.48 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1o0l h VAL 122 CO 0.05 0.10 0.10 -0.61 0.02 0.00 0.00 177.57 177.23 1o0l h GLN 123 N 0.53 0.42 -0.11 1.57 4.15 -1.03 -0.91 115.11 119.73 1o0l h GLN 123 Ca 0.32 -0.08 -0.21 0.00 0.77 0.00 0.00 58.65 59.45 1o0l h GLN 123 Cb 0.55 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1o0l h GLN 123 CO -0.11 0.46 -0.78 1.05 -1.93 0.00 0.00 178.83 177.52 1o0l h GLU 124 N 0.29 0.64 -0.92 1.69 4.11 0.45 -1.05 114.58 119.80 1o0l h GLU 124 Ca 0.09 -0.54 0.04 0.00 0.07 0.00 0.00 59.36 59.03 1o0l h GLU 124 Cb 0.20 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1o0l h GLU 124 CO -0.01 1.15 0.60 -1.49 0.07 0.00 0.00 179.01 179.34 1o0l h TRP 125 N 0.43 1.10 0.20 2.06 6.55 0.24 0.25 115.95 126.78 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 1.40 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 29.33 1o0l h TRP 125 CO 0.07 0.62 -0.09 1.98 -1.05 0.00 0.00 178.44 179.97 1o0l h MET 126 N 1.13 -0.25 -0.01 0.49 4.05 -1.07 -2.64 114.93 116.62 1o0l h MET 126 Ca 0.37 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.78 1o0l h MET 126 Cb 0.06 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1o0l h MET 126 CO -0.12 0.13 -0.14 -0.24 0.23 0.00 0.00 176.91 176.77 1o0l h VAL 127 N -0.89 1.11 0.21 -5.77 3.04 -1.04 -0.79 116.25 112.11 1o0l h VAL 127 Ca -0.03 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 1o0l h VAL 127 Cb 0.50 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1o0l h VAL 127 CO 0.04 0.14 -0.10 -0.08 -1.01 0.00 0.00 177.57 176.57 1o0l h GLU 128 N 0.01 -0.27 -0.37 4.17 4.81 -0.57 0.99 114.58 123.35 1o0l h GLU 128 Ca 0.00 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1o0l h GLU 128 Cb 0.26 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1o0l h GLU 128 CO 0.02 0.08 0.25 -0.92 -0.73 0.00 0.00 179.01 177.71 1o0l h TYR 129 N -0.67 0.41 0.22 0.92 3.20 -1.24 -1.62 116.97 118.19 1o0l h TYR 129 Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1o0l h TYR 129 Cb 0.47 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1o0l h TYR 129 CO 0.04 0.25 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.63 1o0l h LEU 130 N 0.43 -0.25 -2.04 2.82 4.07 -1.02 -1.93 115.31 117.40 1o0l h LEU 130 Ca 0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1o0l h LEU 130 Cb 0.05 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1o0l h LEU 130 CO -0.03 0.28 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.25 1o0l h GLU 131 N -0.96 0.00 0.13 1.13 5.08 -0.68 0.67 114.58 119.95 1o0l h GLU 131 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1o0l h GLU 131 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1o0l h GLU 131 CO 0.05 0.02 -1.58 1.15 -1.00 0.00 0.00 179.01 177.65 1o0l h THR 132 N 0.00 1.10 0.00 1.13 2.02 -1.38 -3.41 112.91 112.37 1o0l h THR 132 Ca -0.00 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.45 1o0l h THR 132 Cb 0.04 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1o0l h THR 132 CO 0.00 0.82 -0.72 0.54 0.37 0.00 0.00 175.52 176.53 1o0l n ARG 133 N -3.47 0.00 -0.10 6.66 1.74 -0.74 -4.70 116.66 116.04 1o0l n ARG 133 Ca -0.18 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.82 1o0l n ARG 133 Cb 1.05 -0.62 -0.00 0.00 -1.02 0.00 0.00 32.46 31.87 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 0.32 -1.23 0.55 -0.00 -0.53 -2.23 115.31 112.19 1o0l h LEU 134 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.02 1o0l h LEU 134 Cb 0.72 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 41.25 1o0l h LEU 134 CO 0.00 0.23 0.58 0.00 -0.00 0.00 0.00 178.44 179.25 1o0l h ALA 135 N 1.15 1.75 -0.11 1.53 0.00 -0.06 0.18 119.26 123.71 1o0l h ALA 135 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1o0l h ALA 135 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1o0l h ALA 135 CO -0.07 0.02 0.01 0.22 0.00 0.00 0.00 179.25 179.44 1o0l h ASP 136 N 0.77 0.18 -0.05 0.00 3.58 -1.66 0.27 116.42 119.51 1o0l h ASP 136 Ca 0.45 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1o0l h ASP 136 Cb 0.63 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1o0l h ASP 136 CO -0.21 0.40 -0.04 -0.25 -2.88 0.00 0.00 179.24 176.26 1o0l h TRP 137 N -0.06 -0.09 -0.28 0.28 7.01 -0.88 -1.00 115.95 120.93 1o0l h TRP 137 Ca 0.03 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.08 1o0l h TRP 137 Cb 0.31 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 1o0l h TRP 137 CO 0.02 -0.06 0.03 0.82 -2.79 0.00 0.00 178.44 176.45 1o0l h ILE 138 N -0.05 0.83 -0.40 2.65 2.04 -0.55 0.12 117.51 122.15 1o0l h ILE 138 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1o0l h ILE 138 Cb 0.10 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1o0l h ILE 138 CO -0.08 0.02 0.22 0.45 0.00 0.00 0.00 178.15 178.77 1o0l h HIS 139 N 0.12 0.52 0.00 1.37 3.86 -0.18 0.44 115.15 121.28 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 0.16 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1o0l h HIS 139 CO -0.19 0.37 -0.51 0.77 0.86 0.00 0.00 177.93 179.23 1o0l h SER 140 N 0.55 0.00 0.00 2.45 0.02 -0.47 -3.39 113.55 112.71 1o0l h SER 140 Ca 0.14 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1o0l h SER 140 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1o0l h SER 140 CO -0.03 0.06 -0.31 -1.28 -1.14 0.00 0.00 176.83 174.14 1o0l h SER 141 N 0.00 0.00 0.00 3.07 0.87 -0.06 -3.48 113.55 113.95 1o0l h SER 141 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1o0l h SER 141 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1o0l h SER 141 CO 0.00 0.70 0.00 0.61 -0.53 0.00 0.00 176.83 177.61 1o0l n GLY 142 N 1.68 0.25 0.00 5.77 0.00 -0.73 -5.10 105.19 107.07 1o0l n GLY 142 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.91 0.27 -0.02 0.00 0.15 -3.38 105.19 101.29 1o0l n GLY 143 Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.45 1.61 4.06 -1.88 -0.86 115.95 118.43 1o0l h TRP 144 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1o0l h TRP 144 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1o0l h TRP 144 CO 0.00 0.08 0.05 0.00 -3.56 0.00 0.00 178.44 175.01 1o0l h ALA 145 N 1.92 1.25 -0.47 1.49 0.00 -1.77 -0.03 119.26 121.65 1o0l h ALA 145 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1o0l h ALA 145 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1o0l h ALA 145 CO 0.01 0.51 0.17 1.49 0.00 0.00 0.00 179.25 181.43 1o0l h GLU 146 N 0.67 0.71 -0.45 0.00 4.81 -1.16 -2.04 114.58 117.12 1o0l h GLU 146 Ca 0.14 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1o0l h GLU 146 Cb 0.35 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1o0l h GLU 146 CO 0.01 0.66 0.01 0.35 -0.73 0.00 0.00 179.01 179.30 1o0l h PHE 147 N 0.62 0.77 0.00 0.92 3.57 -1.35 -1.23 116.94 120.24 1o0l h PHE 147 Ca 0.15 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1o0l h PHE 147 Cb 0.22 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1o0l h PHE 147 CO 0.01 0.72 -0.23 1.15 -2.23 0.00 0.00 178.31 177.73 1o0l h THR 148 N 0.69 0.88 0.00 4.41 2.02 -0.55 -0.22 112.91 120.14 1o0l h THR 148 Ca 0.14 -0.87 -0.21 0.00 0.77 0.00 0.00 66.41 66.24 1o0l h THR 148 Cb 0.42 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1o0l h THR 148 CO 0.02 0.22 -1.22 0.00 0.37 0.00 0.00 175.52 174.91 1o0l h ALA 149 N 1.77 0.60 -0.18 6.16 0.00 -0.83 -0.24 119.26 126.54 1o0l h ALA 149 Ca -0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 54.91 53.77 1o0l h ALA 149 Cb 0.49 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1o0l h ALA 149 CO 0.03 1.19 -0.46 -0.07 0.00 0.00 0.00 179.25 179.93 1o0l h LEU 150 N 0.00 0.72 -3.05 0.00 3.38 -0.57 -2.92 115.31 112.86 1o0l h LEU 150 Ca -0.12 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 1o0l h LEU 150 Cb 1.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1o0l h LEU 150 CO 0.09 1.17 -0.23 -1.22 0.09 0.00 0.00 178.44 178.33 1o0l n TYR 151 N -4.20 0.18 -0.46 1.13 4.02 -0.15 -4.65 117.16 113.03 1o0l n TYR 151 Ca -0.06 -1.28 0.00 0.00 -0.01 0.00 0.00 57.90 56.55 1o0l n TYR 151 Cb 0.57 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 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 -1.20 3.45 0.14 2.72 0.00 -0.10 -4.32 105.19 105.88 1o0l n GLY 152 Ca 0.20 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 -0.76 1.61 1.82 -1.86 -3.29 116.42 113.95 1o0l h ASP 153 Ca 0.00 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.21 1o0l h ASP 153 Cb 0.00 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 39.78 1o0l h ASP 153 CO 0.00 0.24 0.55 0.61 -1.61 0.00 0.00 179.24 179.03 1o0l n GLY 154 N 1.22 4.27 2.83 -0.78 0.00 -1.26 -4.79 105.19 106.69 1o0l n GLY 154 Ca -0.01 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.61 5.09 -0.69 4.61 0.00 -1.10 -4.70 120.51 123.10 1o0l n ALA 155 Ca 0.46 -3.79 -0.28 0.00 0.00 0.00 0.00 53.44 49.83 1o0l n ALA 155 Cb 1.14 -3.56 0.24 0.00 0.00 0.00 0.00 19.45 17.28 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 2.24 0.80 0.39 0.00 2.34 -1.26 -4.55 118.68 118.64 1o0l s LEU 156 Ca 0.49 1.34 0.13 0.00 0.06 0.00 0.00 54.13 56.16 1o0l s LEU 156 Cb 0.13 -3.26 0.97 0.00 -0.56 0.00 0.00 46.19 43.47 1o0l s LEU 156 CO -0.05 -4.08 1.87 -0.33 -1.06 0.00 0.00 176.35 172.70 1o0l h GLU 157 N -2.54 0.51 -0.48 1.48 4.39 -1.99 0.30 114.58 116.25 1o0l h GLU 157 Ca -0.60 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 58.94 1o0l h GLU 157 Cb 1.34 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1o0l h GLU 157 CO 0.51 0.34 -0.20 0.93 -1.16 0.00 0.00 179.01 179.43 1o0l h GLU 158 N 0.53 0.99 -0.26 2.33 5.08 -1.98 -2.54 114.58 118.73 1o0l h GLU 158 Ca 0.45 -0.42 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1o0l h GLU 158 Cb 0.93 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1o0l h GLU 158 CO -0.19 1.09 -0.41 0.00 -1.00 0.00 0.00 179.01 178.51 1o0l h ALA 159 N 0.87 0.79 0.67 3.43 0.00 -1.42 -1.56 119.26 122.03 1o0l h ALA 159 Ca 0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1o0l h ALA 159 Cb 0.78 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1o0l h ALA 159 CO 0.06 0.65 -0.32 0.00 0.00 0.00 0.00 179.25 179.65 1o0l h ARG 160 N 0.52 -0.86 0.00 0.00 3.08 -0.88 -0.34 114.38 115.90 1o0l h ARG 160 Ca 0.04 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1o0l h ARG 160 Cb 0.93 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1o0l h ARG 160 CO 0.08 -0.57 -0.14 0.07 -1.07 0.00 0.00 179.97 178.34 1o0l h ARG 161 N -0.91 0.00 -0.07 0.04 0.11 -1.50 -2.69 114.38 109.36 1o0l h ARG 161 Ca -0.09 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 1o0l h ARG 161 Cb 0.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.77 1o0l h ARG 161 CO 0.15 0.14 -0.10 1.25 0.10 0.00 0.00 179.97 181.51 1o0l h LEU 162 N 0.00 0.21 -0.81 0.08 6.46 -0.86 -0.50 115.31 119.89 1o0l h LEU 162 Ca -0.00 -0.53 -0.10 0.00 -0.12 0.00 0.00 57.88 57.13 1o0l h LEU 162 Cb 0.47 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1o0l h LEU 162 CO 0.02 0.70 -0.17 0.08 -0.62 0.00 0.00 178.44 178.45 1o0l h ARG 163 N -0.28 0.72 -0.21 1.25 0.11 -0.92 0.27 114.38 115.32 1o0l h ARG 163 Ca 0.01 -0.26 -0.10 0.00 0.10 0.00 0.00 59.98 59.73 1o0l h ARG 163 Cb 0.65 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 1o0l h ARG 163 CO 0.02 0.84 -0.25 0.93 0.10 0.00 0.00 179.97 181.61 1o0l h GLU 164 N 0.64 0.54 0.00 0.08 5.08 -1.52 -2.55 114.58 116.85 1o0l h GLU 164 Ca 0.10 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1o0l h GLU 164 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1o0l h GLU 164 CO 0.04 0.89 -0.28 0.78 -1.00 0.00 0.00 179.01 179.45 1o0l h GLY 165 N 0.21 0.00 0.39 -3.84 0.00 -0.97 -2.61 103.07 96.26 1o0l h GLY 165 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1o0l h GLY 165 CO 0.06 0.00 -0.19 -0.57 0.00 0.00 0.00 176.54 175.84 1o0l h ASN 166 N 0.00 -0.45 0.10 0.19 -0.73 -0.22 -3.02 115.58 111.44 1o0l h ASN 166 Ca -0.00 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1o0l h ASN 166 Cb 0.69 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.40 1o0l h ASN 166 CO 0.04 -0.32 -0.06 4.11 -0.37 0.00 0.00 177.43 180.82 1o0l h TRP 167 N -0.53 0.00 -0.91 0.67 5.08 -1.50 -2.06 115.95 116.70 1o0l h TRP 167 Ca -0.05 0.00 0.12 0.00 1.08 0.00 0.00 58.89 60.03 1o0l h TRP 167 Cb 0.41 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.48 1o0l h TRP 167 CO 0.14 0.06 0.54 0.00 -1.28 0.00 0.00 178.44 177.90 1o0l h ALA 168 N 1.94 1.35 0.00 0.11 0.00 -1.34 0.74 119.26 122.06 1o0l h ALA 168 Ca -0.00 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1o0l h ALA 168 Cb 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1o0l h ALA 168 CO 0.01 0.12 -1.56 0.77 0.00 0.00 0.00 179.25 178.59 1o0l h SER 169 N 0.85 0.01 0.19 0.00 0.02 -1.30 -3.35 113.55 109.98 1o0l h SER 169 Ca 0.46 -0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 61.05 1o0l h SER 169 Cb 0.48 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1o0l h SER 169 CO -0.28 1.01 -2.01 1.33 -1.14 0.00 0.00 176.83 175.74 1o0l n VAL 170 N -3.12 1.68 0.20 2.27 0.24 -0.86 -3.10 118.33 115.65 1o0l n VAL 170 Ca -0.13 -0.69 0.04 0.00 -2.04 0.00 0.00 64.34 61.51 1o0l n VAL 170 Cb 1.03 -1.43 0.43 0.00 -1.47 0.00 0.00 33.84 32.40 1o0l n VAL 170 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1o0l h ARG 171 N 0.04 0.00 0.00 7.34 2.43 0.26 -2.18 114.38 122.27 1o0l h ARG 171 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1o0l h ARG 171 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1o0l h ARG 171 CO 0.06 0.29 -0.87 2.41 -1.51 0.00 0.00 179.97 180.36 1o0l n THR 172 N -4.11 0.28 0.08 0.20 -1.04 -1.25 -2.88 114.28 105.55 1o0l n THR 172 Ca -0.02 -0.28 0.01 0.00 -2.04 0.00 0.00 64.05 61.72 1o0l n THR 172 Cb 0.35 0.02 -0.04 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.00 0.63 -0.22 12.58 3.04 -1.37 -3.34 116.25 127.57 1o0l h VAL 173 Ca 0.00 -2.06 -0.16 0.00 -1.01 0.00 0.00 66.70 63.47 1o0l h VAL 173 Cb 0.76 2.17 -0.14 0.00 -2.01 0.00 0.00 31.29 32.07 1o0l h VAL 173 CO 0.00 0.36 -0.61 0.18 -1.01 0.00 0.00 177.57 176.49 1o0l n LEU 174 N -3.01 3.29 0.06 3.16 4.77 -0.86 -4.77 117.00 119.63 1o0l n LEU 174 Ca -0.05 -4.10 0.07 0.00 -0.03 0.00 0.00 56.01 51.91 1o0l n LEU 174 Cb 0.79 -0.45 0.51 0.00 -2.33 0.00 0.00 43.42 41.93 1o0l n LEU 174 CO 0.42 1.58 1.14 0.71 -1.33 0.00 0.00 177.39 179.92 1o0l h THR 175 N 1.52 1.02 -0.12 -5.08 1.35 -1.65 -3.01 112.91 106.93 1o0l h THR 175 Ca 0.10 -0.12 -0.20 0.00 -0.55 0.00 0.00 66.41 65.64 1o0l h THR 175 Cb 1.18 0.64 -0.07 0.00 -1.73 0.00 0.00 68.15 68.16 1o0l h THR 175 CO 0.22 0.06 -0.23 0.61 -0.25 0.00 0.00 175.52 175.94 1o0l n GLY 176 N -1.51 3.09 0.75 5.82 0.00 -1.26 -3.99 105.19 108.09 1o0l n GLY 176 Ca 0.03 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 45.03 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 2.12 2.61 -2.01 4.61 0.00 -1.14 -4.80 120.51 121.91 1o0l n ALA 177 Ca 0.37 -1.79 -0.42 0.00 0.00 0.00 0.00 53.44 51.60 1o0l n ALA 177 Cb 0.81 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.10 4.28 -0.39 0.00 0.31 -1.26 -4.57 118.33 116.61 1o0l n VAL 178 Ca 0.17 -3.84 0.11 0.00 -0.01 0.00 0.00 64.34 60.77 1o0l n VAL 178 Cb 0.68 -2.40 0.32 0.00 -0.91 0.00 0.00 33.84 31.53 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 4.00 2.42 -0.13 3.52 0.00 -1.26 -4.41 120.51 124.65 1o0l n ALA 179 Ca 0.51 -1.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.38 1o0l n ALA 179 Cb 0.33 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 1.56 1.95 -4.55 0.00 4.77 -1.26 -4.85 117.00 114.62 1o0l n LEU 180 Ca 0.24 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 1o0l n LEU 180 Cb 0.64 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1o0l n LEU 180 CO 0.17 0.35 1.58 -0.83 -1.33 0.00 0.00 177.39 177.33 1o0l s GLY 181 N -5.34 -0.17 0.05 -0.72 0.00 -1.26 -3.92 107.32 95.96 1o0l s GLY 181 Ca -0.36 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 43.66 1o0l s GLY 181 CO 0.47 3.78 0.14 0.00 0.00 0.00 0.00 173.10 177.49 1o0l s ALA 182 N 11.21 3.77 -2.62 3.20 0.00 -1.26 -5.05 121.76 131.02 1o0l s ALA 182 Ca 0.80 -0.90 0.21 0.00 0.00 0.00 0.00 51.96 52.07 1o0l s ALA 182 Cb -0.12 -1.65 0.17 0.00 0.00 0.00 0.00 23.12 21.51 1o0l s ALA 182 CO 0.15 0.77 1.16 1.28 0.00 0.00 0.00 175.76 179.12