#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9l s ARG 2 N 0.00 3.36 -0.15 2.12 0.52 -1.26 -0.76 118.95 122.79 1p9l s ARG 2 Ca 0.00 -0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1p9l s ARG 2 Cb 0.00 -3.94 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 1p9l s ARG 2 CO 0.00 -1.05 -0.06 0.08 0.02 0.00 0.00 175.30 174.30 1p9l s VAL 3 N 3.05 3.72 0.15 3.52 1.01 -0.16 0.22 120.40 131.90 1p9l s VAL 3 Ca 0.26 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.91 1p9l s VAL 3 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1p9l s VAL 3 CO 0.21 0.51 -0.14 -0.83 0.00 0.00 0.00 175.10 174.84 1p9l s GLY 4 N 0.30 1.72 -0.15 4.51 0.00 0.27 -0.93 107.32 113.04 1p9l s GLY 4 Ca -0.05 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1p9l s GLY 4 CO 0.03 -1.41 -0.19 0.14 0.00 0.00 0.00 173.10 171.68 1p9l s VAL 5 N -1.42 2.33 -0.19 1.40 1.01 -0.56 -0.18 120.40 122.79 1p9l s VAL 5 Ca 0.21 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1p9l s VAL 5 Cb -0.10 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1p9l s VAL 5 CO 0.12 0.53 0.26 -0.76 0.00 0.00 0.00 175.10 175.26 1p9l s LEU 6 N 0.91 4.20 0.00 3.92 1.43 0.21 -1.28 118.68 128.07 1p9l s LEU 6 Ca -0.04 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1p9l s LEU 6 Cb -0.15 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1p9l s LEU 6 CO -0.03 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1p9l n GLY 7 N 3.67 1.31 0.34 -3.19 0.00 0.29 -1.95 105.19 105.65 1p9l n GLY 7 Ca -0.12 -0.33 0.18 0.00 0.00 0.00 0.00 46.02 45.75 1p9l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9l h ALA 8 N 0.00 1.63 -0.02 4.61 0.00 -1.33 -0.68 119.26 123.47 1p9l h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p9l h ALA 8 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p9l h ALA 8 CO 0.00 -0.29 -0.24 1.63 0.00 0.00 0.00 179.25 180.34 1p9l n LYS 9 N -3.53 1.60 -1.22 0.00 5.02 -1.26 -2.55 118.16 116.22 1p9l n LYS 9 Ca 0.01 -1.26 -0.30 0.00 -2.02 0.00 0.00 58.31 54.74 1p9l n LYS 9 Cb 0.33 -1.47 0.13 0.00 -0.02 0.00 0.00 35.03 33.99 1p9l n LYS 9 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1p9l s GLY 10 N -2.27 1.62 0.15 0.72 0.00 -0.26 -4.67 107.32 102.61 1p9l s GLY 10 Ca 0.24 -0.05 -0.21 0.00 0.00 0.00 0.00 44.72 44.71 1p9l s GLY 10 CO 0.45 0.43 1.64 0.50 0.00 0.00 0.00 173.10 176.12 1p9l h LYS 11 N -1.49 -0.18 0.07 2.90 1.57 -1.94 -0.41 116.57 117.08 1p9l h LYS 11 Ca -0.49 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 1p9l h LYS 11 Cb 1.28 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.64 1p9l h LYS 11 CO 0.55 -0.12 -0.52 0.28 -0.57 0.00 0.00 179.45 179.06 1p9l h VAL 12 N -0.19 1.58 -0.86 0.50 2.07 -1.91 -3.34 116.25 114.09 1p9l h VAL 12 Ca 0.15 -2.37 0.18 0.00 0.82 0.00 0.00 66.70 65.49 1p9l h VAL 12 Cb 0.42 3.13 -0.11 0.00 -1.52 0.00 0.00 31.29 33.21 1p9l h VAL 12 CO -0.39 0.66 0.40 1.23 0.02 0.00 0.00 177.57 179.48 1p9l h GLY 13 N -0.51 1.44 1.70 2.17 0.00 -1.60 -0.27 103.07 105.99 1p9l h GLY 13 Ca -0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1p9l h GLY 13 CO 0.10 -0.16 -0.19 0.00 0.00 0.00 0.00 176.54 176.29 1p9l h THR 14 N 0.49 1.23 -0.68 4.70 1.03 -0.79 -1.83 112.91 117.06 1p9l h THR 14 Ca 0.51 -1.05 -0.06 0.00 -0.01 0.00 0.00 66.41 65.80 1p9l h THR 14 Cb 0.87 1.28 -0.03 0.00 -1.07 0.00 0.00 68.15 69.19 1p9l h THR 14 CO -0.46 0.33 0.19 0.74 -0.01 0.00 0.00 175.52 176.32 1p9l h THR 15 N 0.33 1.26 -0.60 0.00 2.02 -1.19 -2.55 112.91 112.18 1p9l h THR 15 Ca 0.06 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1p9l h THR 15 Cb 0.52 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1p9l h THR 15 CO 0.03 0.35 0.13 0.24 0.37 0.00 0.00 175.52 176.64 1p9l h MET 16 N 1.00 0.95 -0.22 6.66 2.86 -0.97 -1.65 114.93 123.55 1p9l h MET 16 Ca 0.22 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1p9l h MET 16 Cb 0.33 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1p9l h MET 16 CO -0.00 0.86 0.10 0.28 1.06 0.00 0.00 176.91 179.20 1p9l h VAL 17 N 0.90 0.98 -0.76 -2.22 2.07 -1.09 0.13 116.25 116.26 1p9l h VAL 17 Ca 0.19 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1p9l h VAL 17 Cb 0.35 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1p9l h VAL 17 CO 0.00 0.04 0.46 0.03 0.02 0.00 0.00 177.57 178.12 1p9l h ARG 18 N 0.22 1.03 -0.09 1.57 3.08 -1.26 0.38 114.38 119.31 1p9l h ARG 18 Ca 0.09 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p9l h ARG 18 Cb 0.04 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1p9l h ARG 18 CO -0.07 0.73 0.06 0.00 -1.07 0.00 0.00 179.97 179.61 1p9l h ALA 19 N 1.24 0.12 0.11 0.04 0.00 -0.74 0.55 119.26 120.58 1p9l h ALA 19 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1p9l h ALA 19 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p9l h ALA 19 CO -0.05 -0.38 -0.05 0.28 0.00 0.00 0.00 179.25 179.05 1p9l h VAL 20 N 0.10 0.97 -0.79 0.00 2.07 -0.59 -1.45 116.25 116.56 1p9l h VAL 20 Ca 0.03 -0.30 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1p9l h VAL 20 Cb 0.02 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 1p9l h VAL 20 CO -0.01 0.07 0.28 0.00 0.02 0.00 0.00 177.57 177.94 1p9l h ALA 21 N 0.59 1.12 0.00 1.67 0.00 -0.75 -0.17 119.26 121.72 1p9l h ALA 21 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1p9l h ALA 21 Cb 0.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1p9l h ALA 21 CO 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1p9l h ALA 22 N 1.61 1.00 -2.32 0.00 0.00 -0.63 -3.45 119.26 115.47 1p9l h ALA 22 Ca 0.45 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.81 1p9l h ALA 22 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1p9l h ALA 22 CO -0.48 0.00 0.86 0.00 0.00 0.00 0.00 179.25 179.63 1p9l s ALA 23 N -3.21 3.59 0.49 0.00 0.00 -0.08 -4.90 121.76 117.66 1p9l s ALA 23 Ca 0.08 0.80 0.24 0.00 0.00 0.00 0.00 51.96 53.08 1p9l s ALA 23 Cb 0.10 -3.61 1.46 0.00 0.00 0.00 0.00 23.12 21.07 1p9l s ALA 23 CO 0.56 -0.99 2.13 0.38 0.00 0.00 0.00 175.76 177.84 1p9l h ASP 24 N 8.03 0.00 -0.46 0.00 2.03 -1.87 -2.87 116.42 121.29 1p9l h ASP 24 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1p9l h ASP 24 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1p9l h ASP 24 CO 0.92 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 178.31 1p9l n ASP 25 N -3.96 3.48 -4.21 4.15 5.75 -1.26 -4.93 116.55 115.56 1p9l n ASP 25 Ca -0.02 -1.97 -0.25 0.00 -0.01 0.00 0.00 54.79 52.53 1p9l n ASP 25 Cb 0.17 -0.30 -0.15 0.00 -1.03 0.00 0.00 41.12 39.81 1p9l n ASP 25 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1p9l s LEU 26 N -1.27 2.09 -0.24 -2.12 1.43 -1.08 -3.11 118.68 114.38 1p9l s LEU 26 Ca 0.39 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1p9l s LEU 26 Cb 0.22 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1p9l s LEU 26 CO 0.30 0.20 0.06 -0.89 0.23 0.00 0.00 176.35 176.24 1p9l s THR 27 N -0.60 4.30 -0.34 5.49 2.01 0.06 -4.70 115.64 121.85 1p9l s THR 27 Ca 0.07 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1p9l s THR 27 Cb -0.08 -2.99 -0.00 0.00 0.01 0.00 0.00 72.50 69.44 1p9l s THR 27 CO 0.00 0.36 1.45 -0.22 -0.69 0.00 0.00 174.62 175.53 1p9l s LEU 28 N 1.42 3.71 0.00 4.42 2.96 -1.26 -0.99 118.68 128.93 1p9l s LEU 28 Ca 0.05 1.10 0.09 0.00 -0.22 0.00 0.00 54.13 55.15 1p9l s LEU 28 Cb -0.15 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.06 1p9l s LEU 28 CO 0.03 -1.34 0.75 -1.54 -1.32 0.00 0.00 176.35 172.93 1p9l n SER 29 N 8.57 1.63 -3.62 3.68 3.41 -0.10 -4.93 113.62 122.26 1p9l n SER 29 Ca 0.17 -1.31 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1p9l n SER 29 Cb 0.47 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1p9l n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p9l s ALA 30 N -0.87 -1.88 -0.35 7.33 0.00 -1.24 -4.61 121.76 120.14 1p9l s ALA 30 Ca 0.10 1.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 1p9l s ALA 30 Cb 0.08 -1.11 0.13 0.00 0.00 0.00 0.00 23.12 22.22 1p9l s ALA 30 CO 0.14 -0.30 0.20 -1.21 0.00 0.00 0.00 175.76 174.59 1p9l s GLU 31 N -0.02 0.56 -0.08 0.00 2.02 -1.26 -1.50 118.70 118.42 1p9l s GLU 31 Ca -0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 1p9l s GLU 31 Cb -0.04 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 1p9l s GLU 31 CO -0.01 -1.18 -0.01 -0.51 0.02 0.00 0.00 175.26 173.57 1p9l s LEU 32 N 1.16 3.50 0.00 1.80 1.02 -0.40 -4.92 118.68 120.84 1p9l s LEU 32 Ca 0.17 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.42 1p9l s LEU 32 Cb -0.22 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1p9l s LEU 32 CO -0.05 0.37 0.00 -0.67 0.02 0.00 0.00 176.35 176.02 1p9l n ASP 33 N 2.10 0.82 -4.66 2.29 -0.08 -1.26 -0.55 116.55 115.21 1p9l n ASP 33 Ca -0.18 -0.75 -0.49 0.00 -1.51 0.00 0.00 54.79 51.86 1p9l n ASP 33 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 1p9l n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p9l n ALA 34 N -3.00 0.59 -0.73 -1.67 0.00 -1.26 -2.13 120.51 112.32 1p9l n ALA 34 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1p9l n ALA 34 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1p9l n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9l n GLY 35 N 3.44 0.62 3.85 0.00 0.00 -1.26 -5.05 105.19 106.79 1p9l n GLY 35 Ca 0.19 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1p9l n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p9l s ASP 36 N -2.11 6.28 0.29 1.61 1.11 -0.90 -5.07 116.67 117.87 1p9l s ASP 36 Ca 0.00 0.42 -0.29 0.00 0.18 0.00 0.00 52.55 52.86 1p9l s ASP 36 Cb 0.00 -2.02 -0.10 0.00 1.07 0.00 0.00 42.92 41.87 1p9l s ASP 36 CO 0.00 0.39 1.27 -2.16 1.18 0.00 0.00 175.17 175.85 1p9l s PRO 37 N -0.89 4.42 0.56 8.23 0.04 -1.26 -4.86 135.00 141.24 1p9l s PRO 37 Ca 0.14 2.10 0.29 0.00 0.04 0.00 0.00 61.00 63.57 1p9l s PRO 37 Cb -0.12 -3.13 1.68 0.00 0.04 0.00 0.00 34.50 32.98 1p9l s PRO 37 CO 0.03 -0.13 2.19 -0.07 0.04 0.00 0.00 177.00 179.06 1p9l h LEU 38 N 4.02 0.00 -0.84 -3.56 3.38 -1.98 -2.17 115.31 114.16 1p9l h LEU 38 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1p9l h LEU 38 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1p9l h LEU 38 CO 0.69 0.05 0.00 -1.20 0.09 0.00 0.00 178.44 178.07 1p9l n SER 39 N -3.77 0.52 -0.08 -0.43 7.64 -1.26 -0.20 113.62 116.04 1p9l n SER 39 Ca -0.03 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.64 1p9l n SER 39 Cb 0.14 -0.77 0.50 0.00 -1.01 0.00 0.00 64.21 63.07 1p9l n SER 39 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1p9l h LEU 40 N 0.00 0.37 0.26 -3.43 4.07 -1.78 1.32 115.31 116.13 1p9l h LEU 40 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1p9l h LEU 40 Cb 0.20 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1p9l h LEU 40 CO 0.00 0.23 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.39 1p9l h LEU 41 N 0.42 -0.30 -1.94 1.67 3.38 -0.79 -1.53 115.31 116.22 1p9l h LEU 41 Ca 0.28 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.41 1p9l h LEU 41 Cb 0.53 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1p9l h LEU 41 CO -0.08 -0.18 0.40 0.71 0.09 0.00 0.00 178.44 179.38 1p9l h THR 42 N -0.41 0.74 -0.61 0.22 1.35 -1.55 -1.74 112.91 110.91 1p9l h THR 42 Ca -0.04 -0.02 -0.08 0.00 -0.55 0.00 0.00 66.41 65.72 1p9l h THR 42 Cb 0.27 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 1p9l h THR 42 CO 0.06 0.01 0.07 -0.78 -0.25 0.00 0.00 175.52 174.63 1p9l h ASP 43 N 0.06 0.98 -0.41 5.36 3.58 0.18 -2.87 116.42 123.31 1p9l h ASP 43 Ca 0.27 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1p9l h ASP 43 Cb 0.99 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1p9l h ASP 43 CO -0.02 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 1p9l n GLY 44 N -0.58 1.07 3.57 -0.78 0.00 -0.59 -4.92 105.19 102.96 1p9l n GLY 44 Ca 0.04 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1p9l n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p9l n ASN 45 N 0.82 -5.29 -4.76 1.61 5.03 -1.02 -4.93 115.26 106.73 1p9l n ASN 45 Ca 0.16 -0.57 -0.41 0.00 0.87 0.00 0.00 54.58 54.63 1p9l n ASN 45 Cb 0.40 -5.01 -0.01 0.00 -1.02 0.00 0.00 39.78 34.14 1p9l n ASN 45 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1p9l s THR 46 N -3.33 2.29 -0.24 3.41 2.01 -1.02 -4.83 115.64 113.93 1p9l s THR 46 Ca 0.45 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.78 1p9l s THR 46 Cb -0.20 -3.17 -0.20 0.00 0.01 0.00 0.00 72.50 68.95 1p9l s THR 46 CO 0.73 0.05 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.96 1p9l n GLU 47 N 1.67 0.66 -4.14 4.92 1.02 0.13 -4.86 120.64 120.04 1p9l n GLU 47 Ca 0.05 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 1p9l n GLU 47 Cb 0.39 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 1p9l n GLU 47 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1p9l s VAL 48 N -2.51 0.47 -0.03 2.62 1.01 -0.66 -1.74 120.40 119.57 1p9l s VAL 48 Ca -0.27 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1p9l s VAL 48 Cb 0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1p9l s VAL 48 CO 0.67 -0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.81 1p9l s VAL 49 N -0.50 2.18 -0.25 2.92 1.01 0.12 -0.56 120.40 125.31 1p9l s VAL 49 Ca -0.01 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1p9l s VAL 49 Cb -0.04 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1p9l s VAL 49 CO -0.00 0.58 0.15 -0.63 0.00 0.00 0.00 175.10 175.20 1p9l s ILE 50 N -0.59 5.13 -0.23 2.22 1.01 0.74 -0.54 121.20 128.95 1p9l s ILE 50 Ca 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1p9l s ILE 50 Cb -0.10 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1p9l s ILE 50 CO -0.00 0.32 -0.08 -0.62 0.00 0.00 0.00 174.94 174.56 1p9l s ASP 51 N 1.30 4.11 -0.47 3.58 -1.08 -0.04 -0.62 116.67 123.45 1p9l s ASP 51 Ca 0.07 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.43 1p9l s ASP 51 Cb -0.14 -1.65 0.22 0.00 -1.46 0.00 0.00 42.92 39.89 1p9l s ASP 51 CO 0.06 -0.08 0.50 0.49 0.52 0.00 0.00 175.17 176.66 1p9l n PHE 52 N 4.69 0.51 0.00 -5.34 3.01 -0.82 -1.08 117.46 118.42 1p9l n PHE 52 Ca -0.18 -3.66 0.00 0.00 1.01 0.00 0.00 57.45 54.62 1p9l n PHE 52 Cb 0.48 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1p9l n PHE 52 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1p9l n THR 53 N 1.78 0.00 -3.67 4.37 -2.24 -1.26 -4.45 114.28 108.81 1p9l n THR 53 Ca 0.25 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1p9l n THR 53 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1p9l n THR 53 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1p9l s HIS 54 N 1.04 -0.60 0.56 4.78 2.46 -1.26 -4.96 115.29 117.32 1p9l s HIS 54 Ca 0.00 1.38 0.30 0.00 0.47 0.00 0.00 55.06 57.21 1p9l s HIS 54 Cb 0.00 0.23 1.46 0.00 -0.13 0.00 0.00 32.58 34.14 1p9l s HIS 54 CO 0.00 -0.35 1.88 -1.35 -2.47 0.00 0.00 174.74 172.45 1p9l h PRO 55 N 4.86 0.00 0.00 2.88 0.11 -1.95 0.12 132.00 138.01 1p9l h PRO 55 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1p9l h PRO 55 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p9l h PRO 55 CO 0.20 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.55 1p9l h ASP 56 N 0.00 0.00 0.00 -2.05 3.32 -1.96 -3.37 116.42 112.36 1p9l h ASP 56 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1p9l h ASP 56 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1p9l h ASP 56 CO -0.00 0.00 -0.59 1.33 -1.72 0.00 0.00 179.24 178.26 1p9l n VAL 57 N -2.53 0.00 -0.20 -1.35 0.24 0.29 -4.81 118.33 109.98 1p9l n VAL 57 Ca 0.04 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 62.16 1p9l n VAL 57 Cb 0.41 0.66 0.09 0.00 -1.47 0.00 0.00 33.84 33.53 1p9l n VAL 57 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1p9l h VAL 58 N 0.00 0.86 -0.38 3.34 3.04 -1.38 -0.33 116.25 121.40 1p9l h VAL 58 Ca 0.00 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.50 1p9l h VAL 58 Cb 0.00 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 29.59 1p9l h VAL 58 CO 0.00 0.09 0.15 0.24 -1.01 0.00 0.00 177.57 177.04 1p9l h MET 59 N 0.49 0.53 -0.01 4.17 2.86 -1.87 0.33 114.93 121.43 1p9l h MET 59 Ca 0.28 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1p9l h MET 59 Cb 0.27 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1p9l h MET 59 CO -0.24 0.45 0.01 0.78 1.06 0.00 0.00 176.91 178.97 1p9l h GLY 60 N 0.69 0.02 1.25 8.32 0.00 -1.42 -2.13 103.07 109.80 1p9l h GLY 60 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1p9l h GLY 60 CO -0.01 0.01 0.25 3.43 0.00 0.00 0.00 176.54 180.21 1p9l h ASN 61 N -0.11 0.88 -0.57 0.19 2.35 -0.69 -3.00 115.58 114.63 1p9l h ASN 61 Ca 0.00 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1p9l h ASN 61 Cb 0.13 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1p9l h ASN 61 CO -0.00 0.79 0.29 -0.07 -1.65 0.00 0.00 177.43 176.80 1p9l h LEU 62 N 0.94 0.73 -0.17 1.61 3.38 -0.21 -1.37 115.31 120.21 1p9l h LEU 62 Ca 0.22 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1p9l h LEU 62 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1p9l h LEU 62 CO -0.02 0.63 0.06 -0.33 0.09 0.00 0.00 178.44 178.87 1p9l h GLU 63 N 0.77 0.14 0.41 1.13 4.39 -1.25 -0.77 114.58 119.40 1p9l h GLU 63 Ca 0.20 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1p9l h GLU 63 Cb 0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1p9l h GLU 63 CO -0.03 0.09 -0.38 0.35 -1.16 0.00 0.00 179.01 177.88 1p9l h PHE 64 N 0.15 -1.03 -0.21 4.33 3.57 -1.39 0.10 116.94 122.45 1p9l h PHE 64 Ca 0.07 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1p9l h PHE 64 Cb 0.04 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1p9l h PHE 64 CO -0.11 -0.54 -0.39 -0.07 -2.23 0.00 0.00 178.31 174.98 1p9l h LEU 65 N -0.80 -1.24 -0.56 0.59 3.38 -1.09 -0.06 115.31 115.53 1p9l h LEU 65 Ca -0.04 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1p9l h LEU 65 Cb 0.71 0.52 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1p9l h LEU 65 CO -0.05 -0.39 0.34 0.40 0.09 0.00 0.00 178.44 178.83 1p9l h ILE 66 N -0.41 1.06 -0.93 1.22 2.04 -1.07 0.24 117.51 119.65 1p9l h ILE 66 Ca 0.10 -0.23 0.21 0.00 1.00 0.00 0.00 64.86 65.94 1p9l h ILE 66 Cb 0.59 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 36.89 1p9l h ILE 66 CO -0.43 0.12 0.49 -0.78 0.00 0.00 0.00 178.15 177.55 1p9l h ASP 67 N 0.66 0.54 -0.61 1.72 3.58 0.18 -0.32 116.42 122.18 1p9l h ASP 67 Ca 0.22 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1p9l h ASP 67 Cb 0.03 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1p9l h ASP 67 CO -0.10 0.12 0.00 0.59 -2.88 0.00 0.00 179.24 176.97 1p9l n ASN 68 N -4.92 4.66 -0.22 2.28 3.02 -0.13 -4.94 115.26 115.02 1p9l n ASN 68 Ca 0.23 -2.47 -0.03 0.00 -0.03 0.00 0.00 54.58 52.27 1p9l n ASN 68 Cb 0.62 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1p9l n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p9l n GLY 69 N 1.06 0.48 3.72 7.41 0.00 -0.13 -4.98 105.19 112.74 1p9l n GLY 69 Ca 0.25 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1p9l n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p9l s ILE 70 N -1.68 4.41 0.47 -0.61 1.01 -0.05 -4.87 121.20 119.88 1p9l s ILE 70 Ca 0.00 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.32 1p9l s ILE 70 Cb 0.00 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1p9l s ILE 70 CO 0.00 0.22 1.01 -1.00 0.00 0.00 0.00 174.94 175.17 1p9l s HIS 71 N 0.47 3.11 -0.07 3.97 3.76 -0.71 -4.16 115.29 121.66 1p9l s HIS 71 Ca 0.51 1.59 0.03 0.00 -0.15 0.00 0.00 55.06 57.04 1p9l s HIS 71 Cb -0.25 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.47 1p9l s HIS 71 CO 0.30 -0.56 -0.14 0.00 -0.85 0.00 0.00 174.74 173.48 1p9l s ALA 72 N -2.06 1.41 -0.34 -1.40 0.00 -0.69 0.14 121.76 118.82 1p9l s ALA 72 Ca 0.65 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1p9l s ALA 72 Cb -0.14 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.44 1p9l s ALA 72 CO 0.18 0.16 0.10 0.08 0.00 0.00 0.00 175.76 176.27 1p9l s VAL 73 N 0.55 3.53 -0.22 0.00 1.01 0.30 -0.01 120.40 125.56 1p9l s VAL 73 Ca -0.14 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 1p9l s VAL 73 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1p9l s VAL 73 CO 0.04 -0.24 -0.00 -0.69 0.00 0.00 0.00 175.10 174.21 1p9l s VAL 74 N 1.33 3.75 -0.04 2.92 1.01 0.15 -0.86 120.40 128.67 1p9l s VAL 74 Ca -0.01 -0.37 0.16 0.00 0.00 0.00 0.00 61.98 61.76 1p9l s VAL 74 Cb -0.20 -2.72 -0.25 0.00 0.00 0.00 0.00 36.38 33.21 1p9l s VAL 74 CO 0.01 0.40 0.32 0.61 0.00 0.00 0.00 175.10 176.44 1p9l n GLY 75 N 4.71 -0.75 3.53 4.51 0.00 -0.24 -2.06 105.19 114.89 1p9l n GLY 75 Ca -0.17 -0.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.99 1p9l n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p9l n THR 76 N -2.13 1.51 -2.39 2.61 -1.04 -1.12 -4.85 114.28 106.87 1p9l n THR 76 Ca -0.06 -0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 61.42 1p9l n THR 76 Cb 0.50 -0.64 0.08 0.00 -1.82 0.00 0.00 70.33 68.45 1p9l n THR 76 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1p9l n THR 77 N 0.67 0.00 -0.60 12.58 -2.24 -1.26 -4.72 114.28 118.71 1p9l n THR 77 Ca 0.14 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1p9l n THR 77 Cb 0.26 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1p9l n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p9l n GLY 78 N -0.02 0.66 3.77 3.38 0.00 -1.26 -4.18 105.19 107.54 1p9l n GLY 78 Ca 0.11 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1p9l n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p9l s PHE 79 N -2.00 3.46 0.33 1.61 0.40 -1.26 -5.04 117.98 115.47 1p9l s PHE 79 Ca 0.00 1.70 0.03 0.00 -0.60 0.00 0.00 56.93 58.06 1p9l s PHE 79 Cb 0.00 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.35 1p9l s PHE 79 CO 0.00 -0.42 0.08 0.95 0.70 0.00 0.00 175.22 176.53 1p9l s THR 80 N -1.49 0.95 0.18 0.64 -4.23 -1.26 -4.97 115.64 105.46 1p9l s THR 80 Ca 0.52 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1p9l s THR 80 Cb -0.24 -2.68 0.13 0.00 1.34 0.00 0.00 72.50 71.05 1p9l s THR 80 CO 0.31 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 176.00 1p9l h ALA 81 N 2.10 0.08 -0.76 3.99 0.00 -1.98 1.16 119.26 123.86 1p9l h ALA 81 Ca -0.39 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1p9l h ALA 81 Cb 1.25 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1p9l h ALA 81 CO 0.65 -0.59 0.50 0.93 0.00 0.00 0.00 179.25 180.74 1p9l h GLU 82 N -0.13 0.98 0.22 0.00 3.07 -1.97 0.70 114.58 117.44 1p9l h GLU 82 Ca 0.23 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1p9l h GLU 82 Cb 0.50 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1p9l h GLU 82 CO -0.58 0.65 -0.11 0.00 -1.40 0.00 0.00 179.01 177.57 1p9l h ARG 83 N 1.01 -0.29 -0.49 2.33 3.08 -1.26 1.14 114.38 119.90 1p9l h ARG 83 Ca 0.28 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.43 1p9l h ARG 83 Cb -0.09 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1p9l h ARG 83 CO -0.07 -0.17 0.12 0.74 -1.07 0.00 0.00 179.97 179.52 1p9l h PHE 84 N -0.32 0.20 0.19 3.04 0.05 0.17 0.59 116.94 120.86 1p9l h PHE 84 Ca -0.03 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.80 1p9l h PHE 84 Cb 0.24 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.15 1p9l h PHE 84 CO -0.06 0.02 -0.30 1.96 -0.18 0.00 0.00 178.31 179.76 1p9l h GLN 85 N 0.27 -0.54 -0.33 1.51 4.20 0.89 2.36 115.11 123.47 1p9l h GLN 85 Ca 0.24 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.05 1p9l h GLN 85 Cb 0.31 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 1p9l h GLN 85 CO -0.30 -0.36 -0.47 1.96 -0.67 0.00 0.00 178.83 179.00 1p9l h GLN 86 N -0.56 -0.39 -0.03 1.46 4.20 0.22 3.79 115.11 123.82 1p9l h GLN 86 Ca 0.01 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1p9l h GLN 86 Cb 0.55 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1p9l h GLN 86 CO -0.13 -0.26 -0.33 0.28 -0.67 0.00 0.00 178.83 177.72 1p9l h VAL 87 N -0.40 0.28 -0.76 -0.54 2.07 0.72 0.33 116.25 117.96 1p9l h VAL 87 Ca 0.10 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.80 1p9l h VAL 87 Cb 0.61 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 30.54 1p9l h VAL 87 CO -0.53 0.00 0.14 -0.33 0.02 0.00 0.00 177.57 176.87 1p9l h GLU 88 N -0.47 0.21 0.00 1.57 4.39 0.60 0.23 114.58 121.11 1p9l h GLU 88 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1p9l h GLU 88 Cb 0.57 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1p9l h GLU 88 CO -0.29 0.14 0.00 0.45 -1.16 0.00 0.00 179.01 178.15 1p9l n SER 89 N -5.22 0.00 -0.03 1.42 2.88 1.24 -2.69 113.62 111.22 1p9l n SER 89 Ca 0.15 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1p9l n SER 89 Cb 0.50 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1p9l n SER 89 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1p9l n TRP 90 N -0.26 0.01 0.28 0.66 8.01 0.96 0.19 117.44 127.28 1p9l n TRP 90 Ca 0.00 0.11 0.15 0.00 -1.31 0.00 0.00 57.50 56.44 1p9l n TRP 90 Cb 0.00 -0.54 0.79 0.00 -2.01 0.00 0.00 31.31 29.55 1p9l n TRP 90 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1p9l h LEU 91 N 0.00 0.00 -0.77 -0.99 3.38 -0.56 -2.94 115.31 113.42 1p9l h LEU 91 Ca 0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1p9l h LEU 91 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1p9l h LEU 91 CO -0.09 0.08 0.48 1.62 0.09 0.00 0.00 178.44 180.62 1p9l h VAL 92 N 0.00 1.06 -0.00 1.22 3.04 0.22 -0.75 116.25 121.04 1p9l h VAL 92 Ca -0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1p9l h VAL 92 Cb 0.29 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 1p9l h VAL 92 CO 0.01 0.16 -0.06 0.00 -1.01 0.00 0.00 177.57 176.67 1p9l n ALA 93 N -2.34 2.60 -3.34 3.17 0.00 -1.11 -4.21 120.51 115.28 1p9l n ALA 93 Ca 0.10 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1p9l n ALA 93 Cb 0.13 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 1p9l n ALA 93 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1p9l n LYS 94 N -1.24 2.55 -1.18 0.00 2.85 -0.29 -5.10 118.16 115.76 1p9l n LYS 94 Ca 0.13 -4.64 -0.30 0.00 -1.05 0.00 0.00 58.31 52.45 1p9l n LYS 94 Cb 0.27 -2.21 0.13 0.00 -0.65 0.00 0.00 35.03 32.58 1p9l n LYS 94 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1p9l s PRO 95 N -2.58 1.46 0.00 -1.58 0.02 -1.23 -3.01 135.00 128.08 1p9l s PRO 95 Ca 0.41 0.95 0.00 0.00 0.02 0.00 0.00 61.00 62.38 1p9l s PRO 95 Cb 0.17 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.87 1p9l s PRO 95 CO -0.03 -2.14 0.00 0.09 -0.33 0.00 0.00 177.00 174.59 1p9l n ASN 96 N -3.83 -1.83 -4.45 2.53 4.13 -1.26 -4.98 115.26 105.57 1p9l n ASN 96 Ca 0.08 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.00 1p9l n ASN 96 Cb 0.54 -1.07 -0.13 0.00 -1.54 0.00 0.00 39.78 37.58 1p9l n ASN 96 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1p9l s THR 97 N -2.43 3.59 -0.08 3.41 2.01 -1.16 -4.99 115.64 115.99 1p9l s THR 97 Ca 0.00 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 1p9l s THR 97 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1p9l s THR 97 CO 0.00 0.50 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.94 1p9l s SER 98 N 0.38 4.81 -0.08 3.53 0.01 -1.26 -2.15 113.70 118.94 1p9l s SER 98 Ca -0.06 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1p9l s SER 98 Cb -0.15 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 64.79 1p9l s SER 98 CO 0.04 0.35 -0.10 -0.69 0.41 0.00 0.00 173.24 173.25 1p9l s VAL 99 N -0.70 1.03 -0.18 3.43 1.01 0.99 -1.70 120.40 124.28 1p9l s VAL 99 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1p9l s VAL 99 Cb -0.11 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1p9l s VAL 99 CO 0.02 0.35 -0.16 -0.22 0.00 0.00 0.00 175.10 175.09 1p9l s LEU 100 N 1.13 2.34 -0.18 3.92 1.98 0.99 -1.18 118.68 127.67 1p9l s LEU 100 Ca -0.06 -0.57 0.01 0.00 -2.89 0.00 0.00 54.13 50.62 1p9l s LEU 100 Cb -0.14 -1.54 0.02 0.00 0.66 0.00 0.00 46.19 45.18 1p9l s LEU 100 CO -0.02 0.01 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.63 1p9l s ILE 101 N 1.24 2.13 -0.09 6.68 1.01 -0.06 0.33 121.20 132.44 1p9l s ILE 101 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1p9l s ILE 101 Cb -0.14 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1p9l s ILE 101 CO -0.08 0.53 -0.18 0.00 0.00 0.00 0.00 174.94 175.21 1p9l s ALA 102 N 1.26 1.78 -0.08 9.38 0.00 -0.87 -1.00 121.76 132.22 1p9l s ALA 102 Ca 0.04 -0.74 0.29 0.00 0.00 0.00 0.00 51.96 51.55 1p9l s ALA 102 Cb -0.13 -0.74 1.35 0.00 0.00 0.00 0.00 23.12 23.61 1p9l s ALA 102 CO -0.12 0.16 1.88 -1.00 0.00 0.00 0.00 175.76 176.68 1p9l h PRO 103 N 6.93 0.00 -1.79 0.00 0.13 -1.88 -3.42 132.00 131.97 1p9l h PRO 103 Ca -0.26 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.91 1p9l h PRO 103 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1p9l h PRO 103 CO 0.48 0.00 0.25 1.21 -0.23 0.00 0.00 178.00 179.71 1p9l s ASN 104 N -4.74 -0.66 0.00 1.44 3.84 -1.26 -4.44 114.94 109.11 1p9l s ASN 104 Ca 0.01 1.17 0.18 0.00 0.21 0.00 0.00 52.86 54.42 1p9l s ASN 104 Cb 0.09 1.22 -0.03 0.00 -0.55 0.00 0.00 41.25 41.99 1p9l s ASN 104 CO 0.40 -0.19 0.89 0.49 -2.79 0.00 0.00 177.10 175.89 1p9l n PHE 105 N 3.11 0.00 -2.44 0.43 3.01 -1.26 -4.71 117.46 115.60 1p9l n PHE 105 Ca -0.16 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.89 1p9l n PHE 105 Cb 0.57 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.00 1p9l n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p9l s ALA 106 N -2.11 3.40 0.16 4.37 0.00 -1.26 -3.85 121.76 122.48 1p9l s ALA 106 Ca 0.14 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1p9l s ALA 106 Cb 0.14 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.93 1p9l s ALA 106 CO 0.48 -0.29 1.69 0.82 0.00 0.00 0.00 175.76 178.45 1p9l h ILE 107 N 3.73 1.24 -0.90 0.00 1.08 -1.92 -2.57 117.51 118.16 1p9l h ILE 107 Ca -0.44 -0.82 0.08 0.00 -0.39 0.00 0.00 64.86 63.28 1p9l h ILE 107 Cb 1.21 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.61 1p9l h ILE 107 CO 0.73 0.31 0.59 1.23 -0.69 0.00 0.00 178.15 180.32 1p9l h GLY 108 N 0.79 1.32 0.92 5.37 0.00 -1.96 0.88 103.07 110.40 1p9l h GLY 108 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1p9l h GLY 108 CO -0.00 0.26 0.12 0.00 0.00 0.00 0.00 176.54 176.91 1p9l h ALA 109 N 1.53 0.45 -0.60 3.60 0.00 -1.90 0.15 119.26 122.49 1p9l h ALA 109 Ca 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1p9l h ALA 109 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1p9l h ALA 109 CO -0.16 0.08 0.30 0.28 0.00 0.00 0.00 179.25 179.74 1p9l h VAL 110 N 0.40 1.21 -0.61 0.00 2.07 -1.01 -2.03 116.25 116.28 1p9l h VAL 110 Ca 0.11 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1p9l h VAL 110 Cb 0.23 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1p9l h VAL 110 CO -0.01 0.24 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1p9l h LEU 111 N 0.81 0.88 -0.70 2.57 3.38 -0.69 -2.45 115.31 119.11 1p9l h LEU 111 Ca 0.21 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1p9l h LEU 111 Cb 0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1p9l h LEU 111 CO -0.03 0.83 0.37 0.28 0.09 0.00 0.00 178.44 179.98 1p9l h SER 112 N 0.87 0.50 -0.37 -0.43 0.02 -0.28 -0.18 113.55 113.67 1p9l h SER 112 Ca 0.20 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1p9l h SER 112 Cb 0.25 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1p9l h SER 112 CO -0.01 0.30 -0.01 0.24 -1.14 0.00 0.00 176.83 176.22 1p9l h MET 113 N 0.64 0.76 0.09 3.45 2.86 -1.17 -0.25 114.93 121.31 1p9l h MET 113 Ca 0.33 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1p9l h MET 113 Cb 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1p9l h MET 113 CO -0.23 0.77 -0.04 1.25 1.06 0.00 0.00 176.91 179.71 1p9l h HIS 114 N 0.71 -0.11 -0.53 -0.22 6.17 -0.86 -2.59 115.15 117.73 1p9l h HIS 114 Ca 0.14 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1p9l h HIS 114 Cb 0.44 0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 1p9l h HIS 114 CO 0.02 0.05 0.24 0.74 0.71 0.00 0.00 177.93 179.69 1p9l h PHE 115 N -0.25 0.77 -0.98 5.26 0.05 -0.89 -2.70 116.94 118.21 1p9l h PHE 115 Ca -0.01 -0.04 0.08 0.00 3.82 0.00 0.00 57.97 61.81 1p9l h PHE 115 Cb 0.21 -0.24 -0.07 0.00 2.00 0.00 0.00 35.95 37.85 1p9l h PHE 115 CO -0.03 0.61 0.63 0.00 -0.18 0.00 0.00 178.31 179.35 1p9l h ALA 116 N 1.08 1.46 -0.49 2.45 0.00 -1.01 -0.04 119.26 122.72 1p9l h ALA 116 Ca 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1p9l h ALA 116 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1p9l h ALA 116 CO -0.02 0.37 0.26 -0.22 0.00 0.00 0.00 179.25 179.64 1p9l h LYS 117 N 1.10 0.49 -0.24 0.00 3.64 -1.15 -1.29 116.57 119.11 1p9l h LYS 117 Ca 0.43 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1p9l h LYS 117 Cb 0.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1p9l h LYS 117 CO -0.18 0.32 -0.36 1.96 -2.27 0.00 0.00 179.45 178.92 1p9l h GLN 118 N 0.50 0.52 0.00 1.90 4.20 -0.85 -3.31 115.11 118.08 1p9l h GLN 118 Ca 0.21 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1p9l h GLN 118 Cb 0.11 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1p9l h GLN 118 CO -0.14 0.81 -1.07 0.00 -0.67 0.00 0.00 178.83 177.75 1p9l h ALA 119 N 1.17 0.65 -0.90 3.87 0.00 -0.87 -3.41 119.26 119.77 1p9l h ALA 119 Ca 0.05 -0.66 0.18 0.00 0.00 0.00 0.00 54.91 54.47 1p9l h ALA 119 Cb 0.83 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.59 1p9l h ALA 119 CO 0.07 0.76 -0.23 0.00 0.00 0.00 0.00 179.25 179.85 1p9l h ALA 120 N 1.48 0.59 0.00 0.00 0.00 -1.33 -0.86 119.26 119.14 1p9l h ALA 120 Ca -0.10 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1p9l h ALA 120 Cb 1.48 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1p9l h ALA 120 CO 0.05 -0.40 0.00 0.54 0.00 0.00 0.00 179.25 179.44 1p9l n ARG 121 N -5.58 0.20 0.00 0.00 1.74 -1.26 -3.09 116.66 108.67 1p9l n ARG 121 Ca 0.14 0.43 0.14 0.00 -0.77 0.00 0.00 57.85 57.78 1p9l n ARG 121 Cb 0.45 -1.88 0.53 0.00 -1.02 0.00 0.00 32.46 30.54 1p9l n ARG 121 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1p9l n PHE 122 N -2.25 0.00 -4.38 -1.55 3.01 -0.33 -4.95 117.46 107.02 1p9l n PHE 122 Ca 0.02 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.28 1p9l n PHE 122 Cb 0.23 -0.10 -0.10 0.00 -0.01 0.00 0.00 39.48 39.50 1p9l n PHE 122 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1p9l s PHE 123 N -2.32 1.86 0.06 1.38 0.40 -1.18 -4.95 117.98 113.23 1p9l s PHE 123 Ca 0.31 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1p9l s PHE 123 Cb 0.20 -0.86 -0.24 0.00 0.51 0.00 0.00 43.02 42.64 1p9l s PHE 123 CO 0.44 0.44 1.04 -0.44 0.70 0.00 0.00 175.22 177.40 1p9l h ASP 124 N 2.48 0.13 -4.29 1.36 5.19 -1.54 -3.47 116.42 116.27 1p9l h ASP 124 Ca -0.39 -0.17 -0.54 0.00 -0.62 0.00 0.00 57.03 55.31 1p9l h ASP 124 Cb 1.23 -0.04 -0.25 0.00 0.18 0.00 0.00 39.33 40.45 1p9l h ASP 124 CO 0.62 1.14 -0.83 -0.44 -3.12 0.00 0.00 179.24 176.61 1p9l s SER 125 N -6.68 2.26 -0.12 6.45 0.01 0.13 -4.38 113.70 111.38 1p9l s SER 125 Ca -0.03 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.67 1p9l s SER 125 Cb 0.09 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.19 1p9l s SER 125 CO 0.83 0.12 0.26 0.00 0.41 0.00 0.00 173.24 174.87 1p9l s ALA 126 N -0.82 -0.59 0.13 1.44 0.00 -1.25 -0.61 121.76 120.05 1p9l s ALA 126 Ca 0.06 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1p9l s ALA 126 Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1p9l s ALA 126 CO 0.02 -0.38 -0.09 -1.21 0.00 0.00 0.00 175.76 174.10 1p9l s GLU 127 N 1.73 0.97 -0.12 0.00 2.02 -0.62 -4.34 118.70 118.34 1p9l s GLU 127 Ca -0.05 -1.39 0.02 0.00 0.02 0.00 0.00 54.97 53.57 1p9l s GLU 127 Cb -0.11 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.66 1p9l s GLU 127 CO -0.09 0.04 -0.16 0.08 0.02 0.00 0.00 175.26 175.15 1p9l s VAL 128 N -3.35 1.60 -0.18 2.63 1.01 0.32 -1.60 120.40 120.84 1p9l s VAL 128 Ca 0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1p9l s VAL 128 Cb 0.03 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1p9l s VAL 128 CO -0.01 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 1p9l s ILE 129 N 0.99 3.70 -0.04 2.22 1.01 -0.41 -0.04 121.20 128.64 1p9l s ILE 129 Ca -0.06 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.25 1p9l s ILE 129 Cb -0.15 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1p9l s ILE 129 CO -0.02 0.46 -0.25 -0.70 0.00 0.00 0.00 174.94 174.42 1p9l s GLU 130 N 0.79 2.31 -0.09 2.79 -6.30 0.37 0.73 118.70 119.30 1p9l s GLU 130 Ca -0.01 -0.91 -0.01 0.00 -2.50 0.00 0.00 54.97 51.54 1p9l s GLU 130 Cb -0.15 -2.09 0.03 0.00 0.00 0.00 0.00 34.13 31.92 1p9l s GLU 130 CO 0.02 0.47 -0.04 -0.51 0.02 0.00 0.00 175.26 175.22 1p9l s LEU 131 N -0.39 0.96 0.13 2.70 1.02 0.17 -0.05 118.68 123.21 1p9l s LEU 131 Ca 0.03 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.00 1p9l s LEU 131 Cb -0.12 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.41 1p9l s LEU 131 CO 0.01 -0.14 -0.00 -1.00 0.02 0.00 0.00 176.35 175.24 1p9l s HIS 132 N 1.72 0.95 0.68 0.29 3.76 0.46 0.06 115.29 123.22 1p9l s HIS 132 Ca 0.03 -1.06 -0.17 0.00 -0.15 0.00 0.00 55.06 53.71 1p9l s HIS 132 Cb -0.13 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1p9l s HIS 132 CO -0.06 -0.30 0.84 -2.39 -0.85 0.00 0.00 174.74 171.98 1p9l n HIS 133 N -0.11 0.29 1.23 1.40 1.44 -1.08 -1.42 115.22 116.97 1p9l n HIS 133 Ca -0.08 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 1p9l n HIS 133 Cb 0.62 -2.05 0.00 0.00 0.12 0.00 0.00 29.99 28.69 1p9l n HIS 133 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1p9l n PRO 134 N -1.29 0.64 0.00 -1.40 -0.04 -1.25 -2.78 135.00 128.88 1p9l n PRO 134 Ca 0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1p9l n PRO 134 Cb 0.49 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1p9l n PRO 134 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1p9l n HIS 135 N -0.44 0.00 -2.21 0.54 8.25 -1.26 -4.94 115.22 115.16 1p9l n HIS 135 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1p9l n HIS 135 Cb 0.01 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1p9l n HIS 135 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1p9l s LYS 136 N -2.22 4.28 0.19 -0.41 2.20 -1.12 -4.93 119.74 117.74 1p9l s LYS 136 Ca 0.17 1.99 0.05 0.00 -0.36 0.00 0.00 55.97 57.82 1p9l s LYS 136 Cb 0.16 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1p9l s LYS 136 CO 0.49 -0.57 1.42 0.00 -0.36 0.00 0.00 175.35 176.34 1p9l h ALA 137 N 7.76 0.62 -3.43 3.13 0.00 -1.92 -3.46 119.26 121.95 1p9l h ALA 137 Ca -0.38 -0.71 -0.68 0.00 0.00 0.00 0.00 54.91 53.13 1p9l h ALA 137 Cb 1.18 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 1p9l h ALA 137 CO 0.90 0.94 -0.65 0.16 0.00 0.00 0.00 179.25 180.60 1p9l s ASP 138 N -6.86 5.01 -0.02 0.00 -4.77 -1.26 -5.10 116.67 103.66 1p9l s ASP 138 Ca -0.02 0.06 -0.00 0.00 -3.30 0.00 0.00 52.55 49.30 1p9l s ASP 138 Cb 0.11 -1.41 0.02 0.00 -1.09 0.00 0.00 42.92 40.56 1p9l s ASP 138 CO 0.81 0.35 0.03 0.00 0.70 0.00 0.00 175.17 177.06 1p9l s ALA 139 N -0.73 0.06 0.90 2.11 0.00 -1.26 -4.17 121.76 118.68 1p9l s ALA 139 Ca 0.11 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 1p9l s ALA 139 Cb -0.11 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 22.94 1p9l s ALA 139 CO 0.02 -0.09 1.17 -1.25 0.00 0.00 0.00 175.76 175.61 1p9l s PRO 140 N 0.89 1.18 0.91 0.00 0.04 -1.26 -5.10 135.00 131.66 1p9l s PRO 140 Ca -0.07 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.98 1p9l s PRO 140 Cb -0.11 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1p9l s PRO 140 CO -0.02 -2.13 1.11 -1.54 0.04 0.00 0.00 177.00 174.45 1p9l s SER 141 N -4.30 3.10 0.18 6.66 1.04 -1.26 -4.84 113.70 114.28 1p9l s SER 141 Ca 0.65 1.94 -0.07 0.00 0.48 0.00 0.00 55.95 58.95 1p9l s SER 141 Cb -0.12 -2.48 0.08 0.00 0.10 0.00 0.00 66.02 63.61 1p9l s SER 141 CO 0.52 -2.95 1.57 1.23 0.98 0.00 0.00 173.24 174.60 1p9l h GLY 142 N -1.76 0.96 0.53 7.32 0.00 -1.91 -2.09 103.07 106.12 1p9l h GLY 142 Ca -0.46 -0.86 0.05 0.00 0.00 0.00 0.00 47.33 46.06 1p9l h GLY 142 CO 0.46 0.78 -0.03 -0.84 0.00 0.00 0.00 176.54 176.92 1p9l h THR 143 N 0.76 0.77 -0.30 4.70 2.02 -1.92 0.09 112.91 119.03 1p9l h THR 143 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1p9l h THR 143 Cb 0.80 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1p9l h THR 143 CO 0.07 0.01 0.19 0.00 0.37 0.00 0.00 175.52 176.16 1p9l h ALA 144 N 1.25 0.38 -0.64 6.16 0.00 -1.89 0.58 119.26 125.10 1p9l h ALA 144 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1p9l h ALA 144 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1p9l h ALA 144 CO -0.24 -0.14 0.28 0.00 0.00 0.00 0.00 179.25 179.15 1p9l h ALA 145 N 1.09 0.82 -0.48 0.00 0.00 -1.15 0.27 119.26 119.81 1p9l h ALA 145 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1p9l h ALA 145 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1p9l h ALA 145 CO -0.02 0.41 -0.02 -0.09 0.00 0.00 0.00 179.25 179.53 1p9l h ARG 146 N 0.88 0.82 -0.38 0.00 2.43 -0.78 -0.25 114.38 117.10 1p9l h ARG 146 Ca 0.22 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1p9l h ARG 146 Cb 0.16 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1p9l h ARG 146 CO -0.02 0.84 -0.17 1.15 -1.51 0.00 0.00 179.97 180.26 1p9l h THR 147 N 0.76 1.26 -0.48 0.20 2.02 -0.31 -1.68 112.91 114.69 1p9l h THR 147 Ca 0.14 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 1p9l h THR 147 Cb 0.49 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1p9l h THR 147 CO 0.02 0.41 -0.19 0.00 0.37 0.00 0.00 175.52 176.13 1p9l h ALA 148 N 1.19 0.76 -0.34 6.16 0.00 -0.34 -2.16 119.26 124.52 1p9l h ALA 148 Ca 0.10 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1p9l h ALA 148 Cb 0.64 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1p9l h ALA 148 CO 0.04 0.66 0.08 0.87 0.00 0.00 0.00 179.25 180.91 1p9l h LYS 149 N 0.83 0.20 -0.77 0.00 1.79 -0.76 -1.25 116.57 116.61 1p9l h LYS 149 Ca 0.11 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1p9l h LYS 149 Cb 0.75 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 1p9l h LYS 149 CO 0.06 0.13 0.42 -0.07 -1.08 0.00 0.00 179.45 178.92 1p9l h LEU 150 N 0.21 0.97 -0.39 2.94 3.38 -1.19 -0.94 115.31 120.29 1p9l h LEU 150 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1p9l h LEU 150 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1p9l h LEU 150 CO -0.20 0.79 0.06 0.40 0.09 0.00 0.00 178.44 179.58 1p9l h ILE 151 N 1.07 1.24 -0.17 1.22 2.04 -1.15 -1.34 117.51 120.43 1p9l h ILE 151 Ca 0.27 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1p9l h ILE 151 Cb 0.04 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1p9l h ILE 151 CO -0.04 0.30 0.11 0.00 0.00 0.00 0.00 178.15 178.52 1p9l h ALA 152 N 0.92 0.21 -0.30 1.87 0.00 -1.02 -1.92 119.26 119.02 1p9l h ALA 152 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1p9l h ALA 152 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1p9l h ALA 152 CO 0.01 -0.31 0.02 1.49 0.00 0.00 0.00 179.25 180.46 1p9l h GLU 153 N 0.23 0.45 0.00 0.00 4.57 -1.12 -1.64 114.58 117.07 1p9l h GLU 153 Ca 0.06 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1p9l h GLU 153 Cb -0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1p9l h GLU 153 CO -0.02 0.46 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 1p9l h ALA 154 N 1.59 1.00 -0.53 2.92 0.00 -0.83 -3.13 119.26 120.28 1p9l h ALA 154 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p9l h ALA 154 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1p9l h ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p9l n ARG 155 N -2.89 3.28 -1.61 0.00 1.74 -0.64 -4.56 116.66 111.98 1p9l n ARG 155 Ca 0.02 -2.65 -0.48 0.00 -0.77 0.00 0.00 57.85 53.97 1p9l n ARG 155 Cb 0.37 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 1p9l n ARG 155 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1p9l n LYS 156 N 0.79 1.45 -0.05 5.56 4.81 -1.05 -1.06 118.16 128.61 1p9l n LYS 156 Ca 0.21 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1p9l n LYS 156 Cb 0.74 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1p9l n LYS 156 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p9l n GLY 157 N 2.27 1.15 3.86 3.14 0.00 -1.26 -5.04 105.19 109.30 1p9l n GLY 157 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1p9l n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p9l s LEU 158 N 0.00 3.99 0.89 0.99 1.43 -0.23 -5.10 118.68 120.65 1p9l s LEU 158 Ca 0.00 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1p9l s LEU 158 Cb 0.00 -2.56 0.13 0.00 0.03 0.00 0.00 46.19 43.79 1p9l s LEU 158 CO 0.00 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 1p9l s PRO 159 N -3.51 1.28 0.93 1.29 0.04 -1.26 -5.02 135.00 128.75 1p9l s PRO 159 Ca 0.33 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1p9l s PRO 159 Cb -0.09 -1.80 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1p9l s PRO 159 CO 0.26 -2.25 1.11 -2.14 0.04 0.00 0.00 177.00 174.02 1p9l s PRO 160 N -4.89 0.99 0.25 0.56 0.02 -1.26 -4.97 135.00 125.70 1p9l s PRO 160 Ca 0.63 0.45 -0.31 0.00 0.02 0.00 0.00 61.00 61.80 1p9l s PRO 160 Cb -0.18 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.40 1p9l s PRO 160 CO 0.57 -2.34 1.49 0.09 -0.33 0.00 0.00 177.00 176.49 1p9l n ASN 161 N -3.89 3.19 -4.72 2.53 3.02 -1.26 -4.92 115.26 109.20 1p9l n ASN 161 Ca 0.06 1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 55.33 1p9l n ASN 161 Cb 0.58 -1.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 1p9l n ASN 161 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1p9l s PRO 162 N -0.27 4.52 -0.19 3.52 0.04 -1.26 -5.01 135.00 136.35 1p9l s PRO 162 Ca 0.68 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 1p9l s PRO 162 Cb -0.60 -3.33 0.09 0.00 0.04 0.00 0.00 34.50 30.71 1p9l s PRO 162 CO 0.48 -0.08 0.32 0.34 0.04 0.00 0.00 177.00 178.10 1p9l s ASP 163 N 0.52 0.32 -0.06 6.66 -1.08 -1.26 -5.02 116.67 116.74 1p9l s ASP 163 Ca 0.54 0.49 0.11 0.00 -0.52 0.00 0.00 52.55 53.17 1p9l s ASP 163 Cb -0.28 0.92 0.42 0.00 -1.46 0.00 0.00 42.92 42.52 1p9l s ASP 163 CO 0.32 -0.26 1.28 0.00 0.52 0.00 0.00 175.17 177.02 1p9l n ALA 164 N 5.36 2.82 -1.68 3.66 0.00 -1.26 -4.96 120.51 124.45 1p9l n ALA 164 Ca -0.06 -0.91 -0.50 0.00 0.00 0.00 0.00 53.44 51.97 1p9l n ALA 164 Cb 0.50 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1p9l n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1p9l n THR 165 N 0.59 0.35 -0.01 0.00 -1.04 -1.26 -4.85 114.28 108.06 1p9l n THR 165 Ca 0.15 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.05 62.08 1p9l n THR 165 Cb 0.56 -1.58 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 1p9l n THR 165 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1p9l n SER 166 N 5.34 4.20 -4.01 8.00 3.41 -1.26 -5.01 113.62 124.29 1p9l n SER 166 Ca 0.22 -0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.63 1p9l n SER 166 Cb 0.25 0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 64.47 1p9l n SER 166 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1p9l s THR 167 N -2.07 0.73 -0.03 6.66 -4.23 -1.26 -5.14 115.64 110.30 1p9l s THR 167 Ca -0.02 -0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1p9l s THR 167 Cb 0.01 -0.63 0.08 0.00 1.34 0.00 0.00 72.50 73.30 1p9l s THR 167 CO 0.10 0.22 0.74 -0.94 -0.54 0.00 0.00 174.62 174.20 1p9l s SER 168 N 0.02 -0.57 0.38 3.99 1.04 -1.26 -5.14 113.70 112.16 1p9l s SER 168 Ca -0.00 0.49 -0.26 0.00 0.48 0.00 0.00 55.95 56.67 1p9l s SER 168 Cb -0.06 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 1p9l s SER 168 CO 0.00 -0.62 1.13 -0.76 0.98 0.00 0.00 173.24 173.97 1p9l s LEU 169 N -1.52 4.24 0.24 2.42 1.43 -1.26 -4.95 118.68 119.27 1p9l s LEU 169 Ca -0.06 2.26 -0.31 0.00 -1.03 0.00 0.00 54.13 54.98 1p9l s LEU 169 Cb -0.00 -4.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.09 1p9l s LEU 169 CO 0.03 -0.55 1.51 -2.65 0.23 0.00 0.00 176.35 174.93 1p9l n PRO 170 N 0.21 2.29 0.00 1.29 -0.02 -1.26 -1.94 135.00 135.57 1p9l n PRO 170 Ca 0.04 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1p9l n PRO 170 Cb 0.47 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1p9l n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p9l n GLY 171 N 2.49 2.59 0.37 -1.23 0.00 -1.26 -4.89 105.19 103.26 1p9l n GLY 171 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1p9l n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9l h ALA 172 N 0.00 1.66 -0.26 4.61 0.00 -1.78 -1.04 119.26 122.46 1p9l h ALA 172 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p9l h ALA 172 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1p9l h ALA 172 CO 0.00 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.88 1p9l n ARG 173 N -4.59 1.61 0.00 0.00 5.12 -1.26 -5.02 116.66 112.51 1p9l n ARG 173 Ca 0.18 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 1p9l n ARG 173 Cb 0.40 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1p9l n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p9l n GLY 174 N 0.90 -2.15 3.83 -0.13 0.00 -0.40 -4.67 105.19 102.57 1p9l n GLY 174 Ca 0.09 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1p9l n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p9l s ALA 175 N -1.00 3.53 -0.30 4.61 0.00 -0.11 -4.82 121.76 123.67 1p9l s ALA 175 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1p9l s ALA 175 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1p9l s ALA 175 CO 0.00 0.40 0.58 0.34 0.00 0.00 0.00 175.76 177.08 1p9l s ASP 176 N -1.57 6.45 -0.43 0.00 3.68 -1.26 -0.45 116.67 123.09 1p9l s ASP 176 Ca 0.38 0.39 0.04 0.00 2.13 0.00 0.00 52.55 55.49 1p9l s ASP 176 Cb -0.17 -2.31 0.12 0.00 -1.45 0.00 0.00 42.92 39.12 1p9l s ASP 176 CO 0.20 -0.42 0.16 -0.69 0.13 0.00 0.00 175.17 174.55 1p9l s VAL 177 N 2.48 2.42 -1.58 1.11 1.01 -0.59 -4.70 120.40 120.55 1p9l s VAL 177 Ca 0.23 -2.85 -0.04 0.00 0.00 0.00 0.00 61.98 59.31 1p9l s VAL 177 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1p9l s VAL 177 CO 0.11 -0.71 0.56 0.47 0.00 0.00 0.00 175.10 175.53 1p9l n ASP 178 N 3.65 -6.14 0.00 3.32 9.92 -1.26 -1.69 116.55 124.36 1p9l n ASP 178 Ca 0.05 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 1p9l n ASP 178 Cb 0.37 -4.96 0.00 0.00 -0.64 0.00 0.00 41.12 35.88 1p9l n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p9l n GLY 179 N -1.49 0.67 3.33 0.44 0.00 -1.26 -4.79 105.19 102.09 1p9l n GLY 179 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1p9l n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p9l s ILE 180 N -2.52 3.55 0.23 -0.61 -1.09 -0.68 -4.73 121.20 115.37 1p9l s ILE 180 Ca 0.00 -0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 1p9l s ILE 180 Cb 0.00 -2.64 -0.10 0.00 -1.58 0.00 0.00 42.46 38.14 1p9l s ILE 180 CO 0.00 0.39 1.39 -2.84 -1.23 0.00 0.00 174.94 172.65 1p9l s PRO 181 N 1.50 4.32 -0.11 2.79 0.02 -1.26 -1.54 135.00 140.72 1p9l s PRO 181 Ca 0.06 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1p9l s PRO 181 Cb -0.15 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1p9l s PRO 181 CO -0.02 -0.35 -0.13 0.08 -0.33 0.00 0.00 177.00 176.25 1p9l s VAL 182 N 0.02 1.36 -0.13 3.83 1.01 0.41 -0.52 120.40 126.37 1p9l s VAL 182 Ca 0.58 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1p9l s VAL 182 Cb -0.40 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1p9l s VAL 182 CO 0.41 0.41 -0.09 -1.00 0.00 0.00 0.00 175.10 174.84 1p9l s HIS 183 N 1.13 2.90 -0.27 5.22 3.76 0.94 -0.93 115.29 128.03 1p9l s HIS 183 Ca -0.04 -0.43 -0.06 0.00 -0.15 0.00 0.00 55.06 54.38 1p9l s HIS 183 Cb -0.14 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.68 1p9l s HIS 183 CO -0.03 -0.07 0.04 0.00 -0.85 0.00 0.00 174.74 173.83 1p9l s ALA 184 N 0.19 3.00 -0.20 -1.40 0.00 -1.26 -0.48 121.76 121.62 1p9l s ALA 184 Ca -0.05 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1p9l s ALA 184 Cb -0.15 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1p9l s ALA 184 CO 0.04 -0.75 0.11 0.08 0.00 0.00 0.00 175.76 175.23 1p9l s VAL 185 N 1.50 5.16 -0.30 0.00 1.01 0.92 -5.01 120.40 123.67 1p9l s VAL 185 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1p9l s VAL 185 Cb -0.16 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 32.95 1p9l s VAL 185 CO 0.01 0.44 -0.02 -0.13 0.00 0.00 0.00 175.10 175.40 1p9l s ARG 186 N 0.42 1.88 -0.02 2.72 1.81 -1.26 -0.40 118.95 124.10 1p9l s ARG 186 Ca 0.06 -1.61 0.02 0.00 -1.72 0.00 0.00 55.73 52.48 1p9l s ARG 186 Cb -0.12 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.31 1p9l s ARG 186 CO -0.01 -0.76 -0.09 -1.17 -0.68 0.00 0.00 175.30 172.59 1p9l s LEU 187 N 1.01 1.79 0.35 2.53 2.96 -0.51 -4.74 118.68 122.07 1p9l s LEU 187 Ca 0.01 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.46 1p9l s LEU 187 Cb -0.20 -0.54 -0.12 0.00 0.50 0.00 0.00 46.19 45.84 1p9l s LEU 187 CO -0.06 0.06 1.46 0.00 -1.32 0.00 0.00 176.35 176.49 1p9l n ALA 188 N 3.28 2.10 0.00 5.97 0.00 -1.26 -2.51 120.51 128.09 1p9l n ALA 188 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1p9l n ALA 188 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1p9l n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p9l n GLY 189 N 0.90 3.32 3.90 0.00 0.00 -1.26 -5.02 105.19 107.03 1p9l n GLY 189 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1p9l n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p9l s LEU 190 N 0.00 3.42 0.00 0.99 1.43 -1.05 -5.04 118.68 118.43 1p9l s LEU 190 Ca 0.00 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1p9l s LEU 190 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1p9l s LEU 190 CO 0.00 -0.80 0.00 0.52 0.23 0.00 0.00 176.35 176.30 1p9l n VAL 191 N -2.46 0.00 -3.57 -1.59 0.31 -1.26 -3.63 118.33 106.13 1p9l n VAL 191 Ca 0.03 0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1p9l n VAL 191 Cb 0.56 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 1p9l n VAL 191 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p9l s ALA 192 N -2.38 -1.24 0.00 3.52 0.00 -1.16 -2.64 121.76 117.86 1p9l s ALA 192 Ca 0.00 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1p9l s ALA 192 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1p9l s ALA 192 CO 0.00 -0.90 0.07 -1.01 0.00 0.00 0.00 175.76 173.92 1p9l s HIS 193 N 2.63 0.08 -0.08 0.00 3.76 0.11 0.13 115.29 121.91 1p9l s HIS 193 Ca 0.02 -0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 1p9l s HIS 193 Cb -0.13 -0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.51 1p9l s HIS 193 CO -0.14 -0.20 0.23 -1.14 -0.85 0.00 0.00 174.74 172.63 1p9l s GLN 194 N -1.10 0.26 -0.09 1.40 0.74 -0.60 0.42 119.66 120.70 1p9l s GLN 194 Ca -0.12 0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.64 1p9l s GLN 194 Cb -0.07 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.17 1p9l s GLN 194 CO 0.00 -0.03 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.31 1p9l s GLU 195 N 0.13 2.50 -0.21 1.67 2.02 0.22 -0.83 118.70 124.22 1p9l s GLU 195 Ca -0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 1p9l s GLU 195 Cb -0.02 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 1p9l s GLU 195 CO 0.00 0.09 0.00 0.08 0.02 0.00 0.00 175.26 175.46 1p9l s VAL 196 N 0.54 3.94 -0.22 2.63 1.01 -0.50 -1.28 120.40 126.52 1p9l s VAL 196 Ca -0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1p9l s VAL 196 Cb -0.17 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1p9l s VAL 196 CO 0.06 0.42 -0.02 -0.76 0.00 0.00 0.00 175.10 174.80 1p9l s LEU 197 N 1.08 3.05 -0.08 3.92 1.02 -0.62 -1.64 118.68 125.41 1p9l s LEU 197 Ca 0.02 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.88 1p9l s LEU 197 Cb -0.14 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 1p9l s LEU 197 CO 0.02 0.01 -0.13 -0.36 0.02 0.00 0.00 176.35 175.90 1p9l s PHE 198 N 1.34 2.76 0.03 0.29 0.40 0.60 -1.60 117.98 121.79 1p9l s PHE 198 Ca 0.04 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1p9l s PHE 198 Cb -0.14 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1p9l s PHE 198 CO -0.01 0.07 -0.06 0.20 0.70 0.00 0.00 175.22 176.12 1p9l s GLY 199 N -0.38 0.40 0.26 4.36 0.00 0.22 -0.61 107.32 111.56 1p9l s GLY 199 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 1p9l s GLY 199 CO 0.02 -0.60 0.37 -0.37 0.00 0.00 0.00 173.10 172.52 1p9l n THR 200 N 1.94 0.00 -1.44 0.90 5.66 -0.96 -0.69 114.28 119.69 1p9l n THR 200 Ca -0.20 -1.28 -0.53 0.00 -3.05 0.00 0.00 64.05 58.99 1p9l n THR 200 Cb 0.56 0.80 -0.08 0.00 -1.55 0.00 0.00 70.33 70.06 1p9l n THR 200 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1p9l n GLU 201 N -0.42 0.89 -1.10 1.09 4.07 -1.26 -2.57 120.64 121.35 1p9l n GLU 201 Ca 0.00 0.26 -0.03 0.00 -0.06 0.00 0.00 57.16 57.32 1p9l n GLU 201 Cb 0.43 -2.25 -0.01 0.00 -0.06 0.00 0.00 31.44 29.55 1p9l n GLU 201 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p9l n GLY 202 N 6.47 0.56 3.45 8.31 0.00 -1.26 -4.98 105.19 117.74 1p9l n GLY 202 Ca 0.42 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1p9l n GLY 202 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p9l s GLU 203 N -1.61 1.20 0.04 1.61 -1.05 -1.06 -5.17 118.70 112.65 1p9l s GLU 203 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 1p9l s GLU 203 Cb 0.00 0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 34.22 1p9l s GLU 203 CO 0.00 -0.48 -0.04 0.95 0.95 0.00 0.00 175.26 176.63 1p9l s THR 204 N -2.94 0.28 -0.12 1.83 -4.23 -1.26 -2.27 115.64 106.93 1p9l s THR 204 Ca -0.03 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1p9l s THR 204 Cb -0.01 -0.66 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1p9l s THR 204 CO -0.06 -0.58 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.02 1p9l s LEU 205 N -1.85 2.33 -0.11 4.79 0.20 0.22 -4.97 118.68 119.28 1p9l s LEU 205 Ca -0.09 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.27 1p9l s LEU 205 Cb -0.06 -1.49 0.01 0.00 -0.43 0.00 0.00 46.19 44.23 1p9l s LEU 205 CO -0.02 0.15 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.13 1p9l s THR 206 N 0.41 1.58 -0.32 3.68 2.01 -1.26 -0.29 115.64 121.44 1p9l s THR 206 Ca -0.15 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1p9l s THR 206 Cb -0.17 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1p9l s THR 206 CO 0.07 0.46 0.10 -0.63 -0.69 0.00 0.00 174.62 173.92 1p9l s ILE 207 N 0.91 3.94 -0.13 1.82 1.09 -0.65 -4.95 121.20 123.23 1p9l s ILE 207 Ca -0.08 -0.88 -0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1p9l s ILE 207 Cb -0.15 -3.12 -0.02 0.00 -1.06 0.00 0.00 42.46 38.11 1p9l s ILE 207 CO -0.01 -0.05 -0.12 -0.60 -0.10 0.00 0.00 174.94 174.07 1p9l s ARG 208 N 1.46 3.37 -0.07 2.79 3.52 -1.26 -1.41 118.95 127.35 1p9l s ARG 208 Ca 0.01 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 54.99 1p9l s ARG 208 Cb -0.18 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1p9l s ARG 208 CO 0.03 0.25 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.98 1p9l s HIS 209 N 0.26 2.56 -0.14 5.12 5.65 -0.01 -5.01 115.29 123.74 1p9l s HIS 209 Ca -0.08 -0.58 -0.00 0.00 0.25 0.00 0.00 55.06 54.64 1p9l s HIS 209 Cb -0.15 -1.65 0.03 0.00 -1.18 0.00 0.00 32.58 29.63 1p9l s HIS 209 CO 0.05 -0.13 -0.07 -0.51 -0.65 0.00 0.00 174.74 173.43 1p9l s ASP 210 N -0.20 2.48 -0.52 9.88 1.11 -1.26 -1.55 116.67 126.61 1p9l s ASP 210 Ca -0.02 -0.47 -0.18 0.00 0.18 0.00 0.00 52.55 52.07 1p9l s ASP 210 Cb -0.13 -0.89 0.08 0.00 1.07 0.00 0.00 42.92 43.05 1p9l s ASP 210 CO 0.03 -0.14 0.58 -0.44 1.18 0.00 0.00 175.17 176.38 1p9l s SER 211 N 1.67 6.19 0.30 0.27 0.01 0.12 -4.86 113.70 117.40 1p9l s SER 211 Ca 0.03 -1.21 0.25 0.00 1.31 0.00 0.00 55.95 56.33 1p9l s SER 211 Cb -0.14 -2.26 0.65 0.00 0.21 0.00 0.00 66.02 64.48 1p9l s SER 211 CO -0.08 -0.89 1.72 -0.07 0.41 0.00 0.00 173.24 174.33 1p9l h LEU 212 N 9.49 0.00 -7.44 2.44 4.07 -1.98 -3.06 115.31 118.83 1p9l h LEU 212 Ca -0.28 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.57 1p9l h LEU 212 Cb 1.10 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.64 1p9l h LEU 212 CO 0.99 0.00 -0.22 -0.62 -1.08 0.00 0.00 178.44 177.51 1p9l s ASP 213 N -5.14 -0.26 0.06 -0.43 -1.08 -1.26 -4.84 116.67 103.73 1p9l s ASP 213 Ca 0.09 0.19 0.16 0.00 -0.52 0.00 0.00 52.55 52.47 1p9l s ASP 213 Cb 0.10 0.36 0.66 0.00 -1.46 0.00 0.00 42.92 42.58 1p9l s ASP 213 CO 0.62 -0.45 1.49 0.54 0.52 0.00 0.00 175.17 177.88 1p9l n ARG 214 N 1.30 0.04 0.28 4.34 1.74 -1.26 -1.83 116.66 121.27 1p9l n ARG 214 Ca -0.21 0.31 0.16 0.00 -0.77 0.00 0.00 57.85 57.34 1p9l n ARG 214 Cb 0.56 -1.59 0.78 0.00 -1.02 0.00 0.00 32.46 31.19 1p9l n ARG 214 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1p9l h THR 215 N 0.00 0.30 -0.09 0.55 1.35 -1.98 -2.69 112.91 110.35 1p9l h THR 215 Ca 0.00 -0.50 0.03 0.00 -0.55 0.00 0.00 66.41 65.39 1p9l h THR 215 Cb 0.25 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1p9l h THR 215 CO 0.00 0.07 0.15 0.77 -0.25 0.00 0.00 175.52 176.26 1p9l h SER 216 N 0.00 0.00 0.67 5.36 4.64 -1.79 -1.13 113.55 121.29 1p9l h SER 216 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p9l h SER 216 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1p9l h SER 216 CO 0.01 0.00 -0.35 0.49 -0.87 0.00 0.00 176.83 176.11 1p9l n PHE 217 N -3.52 0.02 -0.03 4.77 3.01 -1.01 -4.35 117.46 116.35 1p9l n PHE 217 Ca -0.01 0.01 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1p9l n PHE 217 Cb 0.24 -0.34 -0.09 0.00 -0.01 0.00 0.00 39.48 39.29 1p9l n PHE 217 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1p9l h VAL 218 N 0.00 1.36 -0.42 -4.37 2.07 -1.36 -2.53 116.25 110.99 1p9l h VAL 218 Ca 0.00 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.42 1p9l h VAL 218 Cb 0.51 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1p9l h VAL 218 CO 0.00 0.32 0.14 -0.65 0.02 0.00 0.00 177.57 177.39 1p9l h PRO 219 N -0.28 0.29 -0.24 1.57 0.11 -1.78 0.17 132.00 131.84 1p9l h PRO 219 Ca 0.01 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1p9l h PRO 219 Cb 0.53 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1p9l h PRO 219 CO 0.01 0.19 0.05 0.78 -0.21 0.00 0.00 178.00 178.82 1p9l h GLY 220 N 0.29 0.27 0.95 -0.55 0.00 -1.67 0.42 103.07 102.80 1p9l h GLY 220 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1p9l h GLY 220 CO -0.22 -0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.23 1p9l h VAL 221 N 0.15 1.01 -0.34 4.60 2.07 -0.90 -2.31 116.25 120.53 1p9l h VAL 221 Ca 0.11 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1p9l h VAL 221 Cb 0.11 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1p9l h VAL 221 CO -0.14 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.45 1p9l h LEU 222 N -0.08 0.47 -0.37 2.57 3.38 -0.60 0.39 115.31 121.07 1p9l h LEU 222 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1p9l h LEU 222 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1p9l h LEU 222 CO 0.01 0.51 0.24 0.25 0.09 0.00 0.00 178.44 179.54 1p9l h LEU 223 N 0.50 0.42 -0.46 1.67 5.85 -0.73 -1.06 115.31 121.51 1p9l h LEU 223 Ca 0.11 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1p9l h LEU 223 Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1p9l h LEU 223 CO 0.00 0.31 0.03 0.00 -0.34 0.00 0.00 178.44 178.44 1p9l h ALA 224 N 1.13 0.61 -0.63 1.25 0.00 -0.78 -2.43 119.26 118.42 1p9l h ALA 224 Ca 0.13 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1p9l h ALA 224 Cb -0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1p9l h ALA 224 CO -0.03 0.38 0.32 0.28 0.00 0.00 0.00 179.25 180.20 1p9l h VAL 225 N 0.64 0.91 -0.43 0.00 2.07 0.03 0.16 116.25 119.62 1p9l h VAL 225 Ca 0.13 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 1p9l h VAL 225 Cb 0.45 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1p9l h VAL 225 CO 0.02 0.11 -0.27 0.03 0.02 0.00 0.00 177.57 177.47 1p9l h ARG 226 N 0.58 0.95 -0.71 1.57 3.08 -1.08 -3.27 114.38 115.50 1p9l h ARG 226 Ca 0.29 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1p9l h ARG 226 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1p9l h ARG 226 CO -0.22 1.11 0.00 0.54 -1.07 0.00 0.00 179.97 180.33 1p9l n ARG 227 N -4.12 2.90 -0.32 0.04 1.74 -0.93 -4.66 116.66 111.32 1p9l n ARG 227 Ca -0.01 -2.69 0.01 0.00 -0.77 0.00 0.00 57.85 54.39 1p9l n ARG 227 Cb 0.49 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1p9l n ARG 227 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p9l h ILE 228 N 4.21 0.08 0.00 0.55 6.09 -1.01 0.56 117.51 127.99 1p9l h ILE 228 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1p9l h ILE 228 Cb 1.06 0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1p9l h ILE 228 CO 0.04 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.12 1p9l n ALA 229 N -3.43 2.25 -0.06 0.18 0.00 -1.26 -3.35 120.51 114.85 1p9l n ALA 229 Ca 0.11 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1p9l n ALA 229 Cb 0.43 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1p9l n ALA 229 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1p9l h GLU 230 N 0.00 0.50 -4.19 0.00 5.08 -1.23 -3.39 114.58 111.36 1p9l h GLU 230 Ca 0.00 -0.31 -0.70 0.00 -1.00 0.00 0.00 59.36 57.35 1p9l h GLU 230 Cb 0.00 0.03 -0.34 0.00 0.50 0.00 0.00 28.75 28.94 1p9l h GLU 230 CO 0.00 0.91 -0.48 -0.98 -1.00 0.00 0.00 179.01 177.46 1p9l s ARG 231 N -4.10 2.20 0.34 2.33 3.03 -1.21 -5.08 118.95 116.46 1p9l s ARG 231 Ca -0.13 -2.05 -0.27 0.00 2.03 0.00 0.00 55.73 55.32 1p9l s ARG 231 Cb 0.06 -3.65 -0.09 0.00 -1.03 0.00 0.00 34.95 30.24 1p9l s ARG 231 CO 0.80 -1.11 1.07 -1.25 -1.13 0.00 0.00 175.30 173.67 1p9l s PRO 232 N 0.76 4.38 0.00 3.89 0.04 -1.26 -4.70 135.00 138.12 1p9l s PRO 232 Ca 0.11 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1p9l s PRO 232 Cb -0.22 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1p9l s PRO 232 CO -0.04 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1p9l n GLY 233 N 0.75 0.14 3.18 0.56 0.00 -0.91 -4.94 105.19 103.97 1p9l n GLY 233 Ca 0.02 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1p9l n GLY 233 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p9l s LEU 234 N 0.00 2.22 -0.06 0.99 2.96 -1.26 -0.01 118.68 123.53 1p9l s LEU 234 Ca 0.00 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1p9l s LEU 234 Cb 0.00 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1p9l s LEU 234 CO 0.00 0.05 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.07 1p9l s THR 235 N 0.99 3.26 -0.13 3.68 2.01 -0.33 -5.01 115.64 120.12 1p9l s THR 235 Ca -0.03 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1p9l s THR 235 Cb -0.15 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.07 1p9l s THR 235 CO -0.05 0.59 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1p9l s VAL 236 N -0.75 1.95 0.00 3.82 1.01 -1.26 -0.88 120.40 124.30 1p9l s VAL 236 Ca 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1p9l s VAL 236 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1p9l s VAL 236 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1p9l n GLY 237 N 3.97 0.02 0.12 4.51 0.00 -0.17 -4.80 105.19 108.83 1p9l n GLY 237 Ca -0.20 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.24 1p9l n GLY 237 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p9l h LEU 238 N 0.00 0.00 -0.97 0.99 5.85 -1.89 -3.40 115.31 115.90 1p9l h LEU 238 Ca 0.00 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 1p9l h LEU 238 Cb 0.00 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 40.85 1p9l h LEU 238 CO 0.00 0.34 -0.08 -0.62 -0.34 0.00 0.00 178.44 177.74 1p9l n GLU 239 N -2.91 -0.08 -0.12 1.25 4.71 -1.26 -0.06 120.64 122.17 1p9l n GLU 239 Ca -0.03 1.47 0.15 0.00 -0.01 0.00 0.00 57.16 58.74 1p9l n GLU 239 Cb 0.70 -2.29 0.52 0.00 -1.01 0.00 0.00 31.44 29.37 1p9l n GLU 239 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1p9l h PRO 240 N 0.00 0.36 -0.00 3.49 0.11 -1.89 -0.77 132.00 133.30 1p9l h PRO 240 Ca 0.54 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1p9l h PRO 240 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1p9l h PRO 240 CO -0.94 0.24 -0.21 1.28 -0.21 0.00 0.00 178.00 178.16 1p9l n LEU 241 N -4.46 0.27 -0.12 2.35 4.77 0.92 -4.35 117.00 116.37 1p9l n LEU 241 Ca 0.12 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 1p9l n LEU 241 Cb 0.49 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1p9l n LEU 241 CO 0.34 0.06 -1.31 0.18 -1.33 0.00 0.00 177.39 175.33 1p9l n LEU 242 N -1.41 2.40 -2.45 2.23 4.77 -0.37 -4.53 117.00 117.63 1p9l n LEU 242 Ca 0.08 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1p9l n LEU 242 Cb 0.33 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 1p9l n LEU 242 CO 0.30 0.72 1.50 0.47 -1.33 0.00 0.00 177.39 179.04 1p9l n ASP 243 N -3.63 3.70 0.00 -1.43 9.92 -0.73 -1.91 116.55 122.47 1p9l n ASP 243 Ca -0.45 -2.15 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 1p9l n ASP 243 Cb 0.90 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1p9l n ASP 243 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1p9l n LEU 244 N 3.06 0.00 -0.58 0.64 7.94 -1.26 -5.06 117.00 121.74 1p9l n LEU 244 Ca 0.31 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.29 1p9l n LEU 244 Cb 0.45 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.46 1p9l n LEU 244 CO 0.31 0.00 0.48 0.00 -1.11 0.00 0.00 177.39 177.07