#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 3.46 -0.14 2.12 0.52 -1.26 -0.91 118.95 122.74 1p9l s ARG 2 Ca 0.00 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1p9l s ARG 2 Cb 0.00 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 1p9l s ARG 2 CO 0.00 -0.95 -0.07 0.08 0.02 0.00 0.00 175.30 174.38 1p9l s VAL 3 N 2.95 3.64 0.18 3.52 1.01 -0.10 0.02 120.40 131.61 1p9l s VAL 3 Ca 0.26 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1p9l s VAL 3 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1p9l s VAL 3 CO 0.19 0.51 -0.10 -0.83 0.00 0.00 0.00 175.10 174.86 1p9l s GLY 4 N 0.29 1.73 -0.14 4.51 0.00 0.05 -0.73 107.32 113.03 1p9l s GLY 4 Ca -0.05 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1p9l s GLY 4 CO 0.04 -1.49 -0.21 0.14 0.00 0.00 0.00 173.10 171.57 1p9l s VAL 5 N -1.69 1.99 -0.21 1.40 1.01 -0.48 -0.45 120.40 121.99 1p9l s VAL 5 Ca 0.24 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1p9l s VAL 5 Cb -0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1p9l s VAL 5 CO 0.15 0.54 0.29 -0.76 0.00 0.00 0.00 175.10 175.32 1p9l s LEU 6 N 0.84 4.16 0.00 3.92 1.43 0.18 -1.20 118.68 128.01 1p9l s LEU 6 Ca -0.07 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1p9l s LEU 6 Cb -0.15 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1p9l s LEU 6 CO -0.02 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1p9l n GLY 7 N 3.92 1.42 0.36 -3.19 0.00 0.36 -1.95 105.19 106.11 1p9l n GLY 7 Ca -0.11 -0.27 0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 1.96 -0.02 4.61 0.00 -1.40 -0.36 119.26 124.05 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 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p9l h ALA 8 CO 0.00 -0.48 -0.27 1.63 0.00 0.00 0.00 179.25 180.13 1p9l n LYS 9 N -3.75 1.45 -1.19 0.00 5.02 -1.26 -2.55 118.16 115.87 1p9l n LYS 9 Ca 0.04 -1.12 -0.30 0.00 -2.02 0.00 0.00 58.31 54.92 1p9l n LYS 9 Cb 0.47 -1.48 0.14 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.32 1.61 0.15 0.72 0.00 -0.15 -4.68 107.32 102.65 1p9l s GLY 10 Ca 0.24 -0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.66 1p9l s GLY 10 CO 0.47 0.42 1.63 0.50 0.00 0.00 0.00 173.10 176.13 1p9l h LYS 11 N -1.58 -0.24 0.05 2.90 1.57 -1.94 -0.84 116.57 116.49 1p9l h LYS 11 Ca -0.50 0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 1p9l h LYS 11 Cb 1.29 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.66 1p9l h LYS 11 CO 0.55 -0.16 -0.57 0.28 -0.57 0.00 0.00 179.45 178.98 1p9l h VAL 12 N -0.25 1.51 -0.99 0.50 2.07 -1.92 -3.34 116.25 113.83 1p9l h VAL 12 Ca 0.13 -2.25 0.16 0.00 0.82 0.00 0.00 66.70 65.57 1p9l h VAL 12 Cb 0.44 2.92 -0.10 0.00 -1.52 0.00 0.00 31.29 33.03 1p9l h VAL 12 CO -0.36 0.63 0.60 1.23 0.02 0.00 0.00 177.57 179.70 1p9l h GLY 13 N -0.35 1.70 1.70 2.17 0.00 -1.60 -0.76 103.07 105.94 1p9l h GLY 13 Ca -0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1p9l h GLY 13 CO 0.11 0.02 -0.30 0.00 0.00 0.00 0.00 176.54 176.36 1p9l h THR 14 N 0.83 1.27 -0.52 4.70 1.03 -0.87 -1.68 112.91 117.67 1p9l h THR 14 Ca 0.54 -1.31 -0.07 0.00 -0.01 0.00 0.00 66.41 65.56 1p9l h THR 14 Cb 0.73 1.48 -0.02 0.00 -1.07 0.00 0.00 68.15 69.26 1p9l h THR 14 CO -0.34 0.40 0.02 0.74 -0.01 0.00 0.00 175.52 176.33 1p9l h THR 15 N 0.30 1.25 -0.51 0.00 2.02 -1.28 -2.51 112.91 112.18 1p9l h THR 15 Ca 0.04 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 1p9l h THR 15 Cb 0.69 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1p9l h THR 15 CO 0.05 0.36 -0.10 0.24 0.37 0.00 0.00 175.52 176.45 1p9l h MET 16 N 0.81 0.93 -0.32 6.66 2.86 -0.94 -1.87 114.93 123.06 1p9l h MET 16 Ca 0.16 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1p9l h MET 16 Cb 0.45 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1p9l h MET 16 CO 0.02 0.98 0.09 0.28 1.06 0.00 0.00 176.91 179.34 1p9l h VAL 17 N 0.84 0.88 -0.72 -2.22 2.07 -1.02 0.15 116.25 116.23 1p9l h VAL 17 Ca 0.14 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1p9l h VAL 17 Cb 0.63 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1p9l h VAL 17 CO 0.04 0.04 0.23 0.03 0.02 0.00 0.00 177.57 177.93 1p9l h ARG 18 N 0.22 1.11 -0.27 1.57 3.08 -1.33 0.87 114.38 119.62 1p9l h ARG 18 Ca 0.14 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1p9l h ARG 18 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1p9l h ARG 18 CO -0.17 0.95 0.14 0.00 -1.07 0.00 0.00 179.97 179.83 1p9l h ALA 19 N 1.11 0.35 0.05 0.04 0.00 -0.65 0.38 119.26 120.54 1p9l h ALA 19 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1p9l h ALA 19 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p9l h ALA 19 CO -0.01 -0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.38 1p9l h VAL 20 N 0.32 1.09 -0.80 0.00 2.07 -0.54 -1.34 116.25 117.06 1p9l h VAL 20 Ca 0.10 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.29 1p9l h VAL 20 Cb 0.08 1.42 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 1p9l h VAL 20 CO -0.01 0.12 0.30 0.00 0.02 0.00 0.00 177.57 178.00 1p9l h ALA 21 N 0.64 1.15 0.00 1.67 0.00 -0.65 0.15 119.26 122.22 1p9l h ALA 21 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p9l h ALA 21 Cb 0.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p9l h ALA 21 CO 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1p9l h ALA 22 N 1.62 1.00 -2.36 0.00 0.00 -0.72 -3.45 119.26 115.35 1p9l h ALA 22 Ca 0.46 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.83 1p9l h ALA 22 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1p9l h ALA 22 CO -0.47 0.00 0.85 0.00 0.00 0.00 0.00 179.25 179.63 1p9l s ALA 23 N -3.22 3.59 0.46 0.00 0.00 0.04 -4.90 121.76 117.72 1p9l s ALA 23 Ca 0.08 0.86 0.24 0.00 0.00 0.00 0.00 51.96 53.14 1p9l s ALA 23 Cb 0.09 -3.61 1.39 0.00 0.00 0.00 0.00 23.12 21.00 1p9l s ALA 23 CO 0.59 -0.95 2.08 0.38 0.00 0.00 0.00 175.76 177.86 1p9l h ASP 24 N 7.95 0.00 -0.43 0.00 2.03 -1.87 -2.87 116.42 121.23 1p9l h ASP 24 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 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 0.91 0.12 0.00 -0.90 -1.03 0.00 0.00 179.24 178.33 1p9l n ASP 25 N -3.87 3.48 -4.21 4.15 5.75 -1.26 -4.93 116.55 115.65 1p9l n ASP 25 Ca -0.02 -1.98 -0.25 0.00 -0.01 0.00 0.00 54.79 52.53 1p9l n ASP 25 Cb 0.21 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 39.88 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 -1.37 2.10 -0.25 -2.12 1.43 -1.08 -3.14 118.68 114.24 1p9l s LEU 26 Ca 0.39 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1p9l s LEU 26 Cb 0.22 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 1p9l s LEU 26 CO 0.31 0.19 0.08 -0.89 0.23 0.00 0.00 176.35 176.27 1p9l s THR 27 N -0.61 4.41 -0.33 5.49 2.01 -0.09 -4.70 115.64 121.83 1p9l s THR 27 Ca 0.07 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 1p9l s THR 27 Cb -0.08 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 1p9l s THR 27 CO 0.00 0.33 1.63 -0.22 -0.69 0.00 0.00 174.62 175.67 1p9l s LEU 28 N 1.63 3.63 0.00 4.42 2.96 -1.26 -0.92 118.68 129.13 1p9l s LEU 28 Ca 0.06 1.23 0.10 0.00 -0.22 0.00 0.00 54.13 55.31 1p9l s LEU 28 Cb -0.15 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.06 1p9l s LEU 28 CO 0.04 -1.50 0.76 -1.54 -1.32 0.00 0.00 176.35 172.79 1p9l n SER 29 N 9.34 1.63 -3.61 3.68 3.41 0.09 -4.93 113.62 123.23 1p9l n SER 29 Ca 0.20 -1.31 -0.12 0.00 -0.26 0.00 0.00 58.87 57.37 1p9l n SER 29 Cb 0.47 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.04 -1.87 -0.35 7.33 0.00 -1.24 -4.62 121.76 119.97 1p9l s ALA 30 Ca 0.11 1.82 -0.00 0.00 0.00 0.00 0.00 51.96 53.88 1p9l s ALA 30 Cb 0.08 -1.07 0.13 0.00 0.00 0.00 0.00 23.12 22.27 1p9l s ALA 30 CO 0.17 -0.30 0.19 -1.21 0.00 0.00 0.00 175.76 174.62 1p9l s GLU 31 N -0.08 0.59 -0.09 0.00 2.02 -1.26 -1.38 118.70 118.50 1p9l s GLU 31 Ca -0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 1p9l s GLU 31 Cb -0.04 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 1p9l s GLU 31 CO -0.01 -1.15 -0.01 -0.51 0.02 0.00 0.00 175.26 173.60 1p9l s LEU 32 N 1.20 3.51 0.00 1.80 1.02 -0.34 -4.92 118.68 120.95 1p9l s LEU 32 Ca 0.16 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.41 1p9l s LEU 32 Cb -0.22 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1p9l s LEU 32 CO -0.08 0.36 0.00 -0.67 0.02 0.00 0.00 176.35 175.98 1p9l n ASP 33 N 2.28 0.99 -4.64 2.29 -0.08 -1.26 -0.49 116.55 115.64 1p9l n ASP 33 Ca -0.18 -0.91 -0.49 0.00 -1.51 0.00 0.00 54.79 51.69 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 0.27 -0.73 -1.67 0.00 -1.26 -1.94 120.51 112.18 1p9l n ALA 34 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1p9l n ALA 34 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 3.12 0.61 3.80 0.00 0.00 -1.26 -5.05 105.19 106.42 1p9l n GLY 35 Ca 0.18 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.20 6.01 0.29 1.61 1.11 -0.82 -5.07 116.67 117.61 1p9l s ASP 36 Ca 0.00 0.35 -0.29 0.00 0.18 0.00 0.00 52.55 52.79 1p9l s ASP 36 Cb 0.00 -1.89 -0.10 0.00 1.07 0.00 0.00 42.92 42.00 1p9l s ASP 36 CO 0.00 0.38 1.27 -2.16 1.18 0.00 0.00 175.17 175.84 1p9l s PRO 37 N -0.86 4.42 0.57 8.23 0.04 -1.26 -4.87 135.00 141.26 1p9l s PRO 37 Ca 0.14 2.11 0.29 0.00 0.04 0.00 0.00 61.00 63.57 1p9l s PRO 37 Cb -0.12 -3.12 1.72 0.00 0.04 0.00 0.00 34.50 33.02 1p9l s PRO 37 CO 0.03 -0.13 2.20 -0.07 0.04 0.00 0.00 177.00 179.08 1p9l h LEU 38 N 3.90 0.00 -0.97 -3.56 3.38 -1.98 -2.36 115.31 113.72 1p9l h LEU 38 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.68 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 178.05 1p9l n SER 39 N -3.79 0.54 0.06 -0.43 7.64 -1.26 -0.26 113.62 116.12 1p9l n SER 39 Ca -0.03 0.69 0.09 0.00 1.01 0.00 0.00 58.87 60.63 1p9l n SER 39 Cb 0.13 -0.79 0.53 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 0.26 0.15 -3.43 4.07 -1.81 1.08 115.31 115.63 1p9l h LEU 40 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1p9l h LEU 40 Cb 0.16 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1p9l h LEU 40 CO 0.00 0.18 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.39 1p9l h LEU 41 N 0.30 -0.17 -1.69 1.67 3.38 -0.84 -2.15 115.31 115.81 1p9l h LEU 41 Ca 0.14 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.32 1p9l h LEU 41 Cb 0.20 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1p9l h LEU 41 CO -0.03 -0.10 0.56 0.71 0.09 0.00 0.00 178.44 179.67 1p9l h THR 42 N -0.25 0.69 -0.71 0.22 1.35 -1.58 -1.15 112.91 111.49 1p9l h THR 42 Ca -0.02 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.70 1p9l h THR 42 Cb 0.15 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 66.93 1p9l h THR 42 CO 0.03 0.05 0.26 -0.78 -0.25 0.00 0.00 175.52 174.83 1p9l h ASP 43 N 0.27 0.98 -0.44 5.36 3.58 0.12 -2.80 116.42 123.50 1p9l h ASP 43 Ca 0.41 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1p9l h ASP 43 Cb 1.19 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1p9l h ASP 43 CO -0.11 0.89 0.00 0.61 -2.88 0.00 0.00 179.24 177.75 1p9l n GLY 44 N -0.89 1.45 3.42 -0.78 0.00 -0.45 -4.93 105.19 103.01 1p9l n GLY 44 Ca 0.06 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 0.76 -2.63 -4.74 1.61 3.02 -1.06 -4.94 115.26 107.28 1p9l n ASN 45 Ca 0.16 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 1p9l n ASN 45 Cb 0.49 -5.04 -0.04 0.00 -0.61 0.00 0.00 39.78 34.58 1p9l n ASN 45 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1p9l s THR 46 N -3.35 4.05 -0.23 3.41 2.01 -1.12 -4.75 115.64 115.67 1p9l s THR 46 Ca 0.08 1.79 0.08 0.00 0.31 0.00 0.00 61.69 63.95 1p9l s THR 46 Cb -0.04 -4.14 -0.19 0.00 0.01 0.00 0.00 72.50 68.14 1p9l s THR 46 CO 0.72 0.31 -0.11 -0.62 -0.69 0.00 0.00 174.62 174.23 1p9l n GLU 47 N 2.37 0.69 -4.11 4.92 1.02 0.10 -4.86 120.64 120.77 1p9l n GLU 47 Ca 0.02 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1p9l n GLU 47 Cb 0.47 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.49 0.40 -0.03 2.62 1.01 -0.68 -1.77 120.40 119.46 1p9l s VAL 48 Ca -0.25 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1p9l s VAL 48 Cb 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1p9l s VAL 48 CO 0.67 -0.04 -0.25 -0.69 0.00 0.00 0.00 175.10 174.79 1p9l s VAL 49 N -0.49 2.16 -0.25 2.92 1.01 0.78 -0.77 120.40 125.76 1p9l s VAL 49 Ca -0.02 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1p9l s VAL 49 Cb -0.04 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1p9l s VAL 49 CO -0.00 0.58 0.14 -0.63 0.00 0.00 0.00 175.10 175.19 1p9l s ILE 50 N -0.53 5.04 -0.24 2.22 1.01 0.40 -0.31 121.20 128.80 1p9l s ILE 50 Ca 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1p9l s ILE 50 Cb -0.11 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.02 1p9l s ILE 50 CO 0.00 0.32 -0.07 -0.62 0.00 0.00 0.00 174.94 174.57 1p9l s ASP 51 N 1.38 4.18 -0.49 3.58 -1.08 -0.13 -0.65 116.67 123.46 1p9l s ASP 51 Ca 0.07 -0.79 0.05 0.00 -0.52 0.00 0.00 52.55 51.36 1p9l s ASP 51 Cb -0.15 -1.65 0.19 0.00 -1.46 0.00 0.00 42.92 39.85 1p9l s ASP 51 CO 0.06 -0.10 0.42 0.49 0.52 0.00 0.00 175.17 176.57 1p9l n PHE 52 N 4.68 0.37 0.00 -5.34 3.01 -0.82 -1.32 117.46 118.03 1p9l n PHE 52 Ca -0.17 -3.62 0.00 0.00 1.01 0.00 0.00 57.45 54.67 1p9l n PHE 52 Cb 0.48 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 2.33 0.00 -3.69 4.37 -2.24 -1.26 -4.40 114.28 109.39 1p9l n THR 53 Ca 0.26 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1p9l n THR 53 Cb 0.45 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.91 -0.55 0.56 4.78 2.46 -1.26 -4.97 115.29 117.23 1p9l s HIS 54 Ca 0.00 1.28 0.30 0.00 0.47 0.00 0.00 55.06 57.10 1p9l s HIS 54 Cb 0.00 0.21 1.46 0.00 -0.13 0.00 0.00 32.58 34.12 1p9l s HIS 54 CO 0.00 -0.32 1.90 -1.35 -2.47 0.00 0.00 174.74 172.50 1p9l h PRO 55 N 4.98 0.00 0.00 2.88 0.11 -1.95 0.99 132.00 139.01 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 0.21 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.56 1p9l h ASP 56 N 0.00 0.00 0.00 -2.05 3.32 -1.96 -3.36 116.42 112.37 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 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1p9l h ASP 56 CO -0.00 0.00 -0.57 1.33 -1.72 0.00 0.00 179.24 178.28 1p9l n VAL 57 N -2.49 0.00 -0.14 -1.35 0.24 0.21 -4.81 118.33 109.98 1p9l n VAL 57 Ca 0.04 -0.16 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1p9l n VAL 57 Cb 0.39 0.64 0.05 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.79 -0.53 3.34 3.04 -1.34 -0.87 116.25 120.67 1p9l h VAL 58 Ca 0.00 -0.09 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 1p9l h VAL 58 Cb 0.00 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 29.75 1p9l h VAL 58 CO 0.00 0.05 0.35 0.24 -1.01 0.00 0.00 177.57 177.20 1p9l h MET 59 N 0.27 0.64 -0.10 4.17 2.86 -1.87 0.35 114.93 121.25 1p9l h MET 59 Ca 0.22 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1p9l h MET 59 Cb 0.26 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1p9l h MET 59 CO -0.27 0.42 0.03 0.78 1.06 0.00 0.00 176.91 178.93 1p9l h GLY 60 N 0.66 0.17 1.14 8.32 0.00 -1.52 -1.96 103.07 109.88 1p9l h GLY 60 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1p9l h GLY 60 CO -0.05 0.10 0.27 3.43 0.00 0.00 0.00 176.54 180.29 1p9l h ASN 61 N -0.04 1.01 -0.59 0.19 2.35 -0.68 -3.04 115.58 114.77 1p9l h ASN 61 Ca 0.03 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1p9l h ASN 61 Cb 0.24 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1p9l h ASN 61 CO 0.00 0.91 0.36 -0.07 -1.65 0.00 0.00 177.43 176.98 1p9l h LEU 62 N 1.06 0.70 -0.29 1.61 3.38 -0.15 -1.29 115.31 120.33 1p9l h LEU 62 Ca 0.24 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1p9l h LEU 62 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1p9l h LEU 62 CO -0.02 0.55 0.16 -0.08 0.09 0.00 0.00 178.44 179.14 1p9l h GLU 63 N 0.80 0.32 0.46 1.13 4.81 -1.28 -0.96 114.58 119.84 1p9l h GLU 63 Ca 0.21 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1p9l h GLU 63 Cb -0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1p9l h GLU 63 CO -0.04 0.21 -0.35 0.35 -0.73 0.00 0.00 179.01 178.45 1p9l h PHE 64 N 0.33 -0.93 -0.15 0.92 3.57 -1.40 0.40 116.94 119.67 1p9l h PHE 64 Ca 0.11 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1p9l h PHE 64 Cb 0.01 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1p9l h PHE 64 CO -0.08 -0.51 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.11 1p9l h LEU 65 N -0.80 -0.96 -0.48 0.59 3.38 -1.09 -0.24 115.31 115.70 1p9l h LEU 65 Ca -0.05 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1p9l h LEU 65 Cb 0.68 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1p9l h LEU 65 CO 0.00 -0.35 0.30 0.40 0.09 0.00 0.00 178.44 178.89 1p9l h ILE 66 N -0.37 1.07 -0.91 1.22 2.04 -1.15 0.20 117.51 119.61 1p9l h ILE 66 Ca 0.10 -0.21 0.20 0.00 1.00 0.00 0.00 64.86 65.96 1p9l h ILE 66 Cb 0.53 0.42 -0.11 0.00 -0.74 0.00 0.00 36.82 36.92 1p9l h ILE 66 CO -0.36 0.11 0.46 -0.78 0.00 0.00 0.00 178.15 177.58 1p9l h ASP 67 N 0.60 0.49 -0.56 1.72 3.58 -0.17 0.32 116.42 122.39 1p9l h ASP 67 Ca 0.19 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1p9l h ASP 67 Cb -0.01 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1p9l h ASP 67 CO -0.07 0.10 0.00 0.59 -2.88 0.00 0.00 179.24 176.98 1p9l n ASN 68 N -4.94 4.52 -0.49 2.28 3.02 -0.17 -4.94 115.26 114.53 1p9l n ASN 68 Ca 0.22 -2.50 -0.06 0.00 -0.03 0.00 0.00 54.58 52.20 1p9l n ASN 68 Cb 0.60 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.94 0.76 3.73 7.41 0.00 0.10 -4.98 105.19 113.14 1p9l n GLY 69 Ca 0.23 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.88 4.50 0.48 -0.61 1.01 -0.04 -4.89 121.20 119.78 1p9l s ILE 70 Ca 0.00 2.07 -0.19 0.00 0.00 0.00 0.00 60.65 62.53 1p9l s ILE 70 Cb 0.00 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1p9l s ILE 70 CO 0.00 0.32 0.99 -1.00 0.00 0.00 0.00 174.94 175.25 1p9l s HIS 71 N 0.01 3.21 -0.06 3.97 3.76 -0.73 -4.13 115.29 121.32 1p9l s HIS 71 Ca 0.47 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.97 1p9l s HIS 71 Cb -0.23 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.55 1p9l s HIS 71 CO 0.30 -0.47 -0.12 0.00 -0.85 0.00 0.00 174.74 173.60 1p9l s ALA 72 N -2.23 1.21 -0.37 -1.40 0.00 -0.65 -0.16 121.76 118.16 1p9l s ALA 72 Ca 0.63 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1p9l s ALA 72 Cb -0.12 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.54 1p9l s ALA 72 CO 0.21 0.12 0.15 0.08 0.00 0.00 0.00 175.76 176.32 1p9l s VAL 73 N 0.59 3.70 -0.22 0.00 1.01 0.58 -0.27 120.40 125.78 1p9l s VAL 73 Ca -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1p9l s VAL 73 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1p9l s VAL 73 CO 0.03 -0.36 0.01 -0.69 0.00 0.00 0.00 175.10 174.09 1p9l s VAL 74 N 1.34 3.88 -0.06 2.92 1.01 0.14 -0.95 120.40 128.67 1p9l s VAL 74 Ca 0.01 -0.33 0.17 0.00 0.00 0.00 0.00 61.98 61.83 1p9l s VAL 74 Cb -0.21 -2.78 -0.26 0.00 0.00 0.00 0.00 36.38 33.13 1p9l s VAL 74 CO 0.01 0.40 0.31 0.61 0.00 0.00 0.00 175.10 176.42 1p9l n GLY 75 N 4.66 -0.81 3.53 4.51 0.00 -0.44 -1.92 105.19 114.73 1p9l n GLY 75 Ca -0.17 -0.38 -0.50 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.23 1.11 -2.36 2.61 -1.04 -1.10 -4.85 114.28 106.42 1p9l n THR 76 Ca -0.09 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.05 61.43 1p9l n THR 76 Cb 0.60 -0.56 0.12 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.04 0.00 -0.47 12.58 -2.24 -1.26 -4.72 114.28 119.21 1p9l n THR 77 Ca 0.16 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1p9l n THR 77 Cb 0.23 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.90 0.73 3.78 3.38 0.00 -1.26 -4.15 105.19 105.77 1p9l n GLY 78 Ca 0.14 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 3.47 0.34 1.61 0.40 -1.26 -5.04 117.98 115.50 1p9l s PHE 79 Ca 0.00 1.71 0.03 0.00 -0.60 0.00 0.00 56.93 58.07 1p9l s PHE 79 Cb 0.00 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.39 1p9l s PHE 79 CO 0.00 -0.32 0.08 0.95 0.70 0.00 0.00 175.22 176.63 1p9l s THR 80 N -1.55 0.92 0.18 0.64 -4.23 -1.26 -4.97 115.64 105.37 1p9l s THR 80 Ca 0.53 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.84 1p9l s THR 80 Cb -0.23 -2.65 0.11 0.00 1.34 0.00 0.00 72.50 71.08 1p9l s THR 80 CO 0.29 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.98 1p9l h ALA 81 N 2.07 0.04 -0.83 3.99 0.00 -1.98 0.88 119.26 123.43 1p9l h ALA 81 Ca -0.39 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1p9l h ALA 81 Cb 1.25 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1p9l h ALA 81 CO 0.65 -0.61 0.55 0.93 0.00 0.00 0.00 179.25 180.77 1p9l h GLU 82 N -0.15 1.09 0.18 0.00 3.07 -1.99 -0.72 114.58 116.05 1p9l h GLU 82 Ca 0.21 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1p9l h GLU 82 Cb 0.49 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1p9l h GLU 82 CO -0.55 0.72 -0.09 0.00 -1.40 0.00 0.00 179.01 177.69 1p9l h ARG 83 N 1.12 -0.23 -0.96 2.33 3.08 -1.40 -0.79 114.38 117.53 1p9l h ARG 83 Ca 0.30 0.02 0.27 0.00 0.07 0.00 0.00 59.98 60.64 1p9l h ARG 83 Cb -0.13 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1p9l h ARG 83 CO -0.07 -0.10 0.68 0.74 -1.07 0.00 0.00 179.97 180.15 1p9l h PHE 84 N -0.30 0.09 -0.43 3.04 0.05 0.12 -2.09 116.94 117.42 1p9l h PHE 84 Ca -0.02 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.66 1p9l h PHE 84 Cb 0.23 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 1p9l h PHE 84 CO -0.05 0.02 -0.16 0.37 -0.18 0.00 0.00 178.31 178.31 1p9l h GLN 85 N 0.06 0.87 -0.50 1.51 5.75 0.35 -3.16 115.11 119.99 1p9l h GLN 85 Ca 0.47 -0.36 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 1p9l h GLN 85 Cb 1.76 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.26 1p9l h GLN 85 CO -0.04 1.00 -0.07 1.96 -2.65 0.00 0.00 178.83 179.03 1p9l h GLN 86 N 0.69 0.93 -0.45 1.69 1.08 -1.02 -2.81 115.11 115.22 1p9l h GLN 86 Ca 0.10 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1p9l h GLN 86 Cb 0.71 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1p9l h GLN 86 CO 0.05 0.99 0.23 0.28 -0.95 0.00 0.00 178.83 179.43 1p9l h VAL 87 N 0.79 1.15 0.42 -0.54 2.07 -1.60 0.14 116.25 118.67 1p9l h VAL 87 Ca 0.13 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1p9l h VAL 87 Cb 0.61 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1p9l h VAL 87 CO 0.04 0.17 -0.20 -0.33 0.02 0.00 0.00 177.57 177.27 1p9l h GLU 88 N 0.63 -0.54 -0.15 1.57 5.08 -1.49 -0.85 114.58 118.83 1p9l h GLU 88 Ca 0.16 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1p9l h GLU 88 Cb 0.05 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1p9l h GLU 88 CO -0.02 -0.23 0.11 0.66 -1.00 0.00 0.00 179.01 178.53 1p9l h SER 89 N -0.92 0.00 -0.44 1.42 4.64 -1.36 0.23 113.55 117.11 1p9l h SER 89 Ca -0.06 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1p9l h SER 89 Cb 0.56 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1p9l h SER 89 CO 0.09 0.00 -0.27 -0.50 -0.87 0.00 0.00 176.83 175.29 1p9l h TRP 90 N 0.00 1.13 -0.03 4.77 6.55 -0.59 -3.25 115.95 124.53 1p9l h TRP 90 Ca 0.07 -0.29 -0.18 0.00 0.95 0.00 0.00 58.89 59.44 1p9l h TRP 90 Cb 0.29 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 1p9l h TRP 90 CO -0.00 1.12 -0.78 -0.07 -1.05 0.00 0.00 178.44 177.66 1p9l h LEU 91 N 0.83 0.30 -1.20 -4.49 3.38 0.80 -3.06 115.31 111.87 1p9l h LEU 91 Ca 0.10 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.01 1p9l h LEU 91 Cb 0.85 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1p9l h LEU 91 CO 0.07 0.96 0.60 0.58 0.09 0.00 0.00 178.44 180.75 1p9l h VAL 92 N 0.16 0.79 -0.00 1.22 2.07 -0.82 1.05 116.25 120.71 1p9l h VAL 92 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1p9l h VAL 92 Cb 1.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1p9l h VAL 92 CO 0.12 0.13 -0.00 0.00 0.02 0.00 0.00 177.57 177.84 1p9l n ALA 93 N -2.40 2.57 -2.97 1.67 0.00 -1.16 -3.75 120.51 114.46 1p9l n ALA 93 Ca 0.20 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1p9l n ALA 93 Cb 0.52 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 1p9l n ALA 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p9l n LYS 94 N -1.17 1.04 -0.65 0.00 4.76 0.35 -5.12 118.16 117.37 1p9l n LYS 94 Ca 0.18 -3.25 -0.32 0.00 -2.87 0.00 0.00 58.31 52.05 1p9l n LYS 94 Cb 0.19 -1.48 0.18 0.00 -1.84 0.00 0.00 35.03 32.08 1p9l n LYS 94 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1p9l n PRO 95 N 0.14 -1.60 -0.94 1.97 -0.02 -0.08 -2.39 135.00 132.08 1p9l n PRO 95 Ca 0.18 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1p9l n PRO 95 Cb 0.72 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1p9l n PRO 95 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1p9l n ASN 96 N -2.25 -2.38 -4.42 2.55 4.13 -1.26 -4.98 115.26 106.65 1p9l n ASN 96 Ca 0.02 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.95 1p9l n ASN 96 Cb 0.60 -1.19 -0.14 0.00 -1.54 0.00 0.00 39.78 37.52 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 -2.23 3.27 -0.07 3.41 2.01 -1.01 -4.94 115.64 116.10 1p9l s THR 97 Ca 0.00 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1p9l s THR 97 Cb 0.00 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1p9l s THR 97 CO 0.00 0.53 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.94 1p9l s SER 98 N 0.17 4.56 -0.07 3.53 0.01 -1.26 -0.64 113.70 120.00 1p9l s SER 98 Ca -0.06 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1p9l s SER 98 Cb -0.15 -1.13 0.02 0.00 0.21 0.00 0.00 66.02 64.98 1p9l s SER 98 CO 0.04 0.36 -0.08 -0.69 0.41 0.00 0.00 173.24 173.28 1p9l s VAL 99 N -0.80 0.90 -0.17 3.43 1.01 0.38 -1.64 120.40 123.51 1p9l s VAL 99 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1p9l s VAL 99 Cb -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1p9l s VAL 99 CO 0.01 0.32 -0.17 -0.22 0.00 0.00 0.00 175.10 175.04 1p9l s LEU 100 N 1.10 2.30 -0.17 3.92 1.98 0.63 0.08 118.68 128.52 1p9l s LEU 100 Ca -0.07 -0.57 0.01 0.00 -2.89 0.00 0.00 54.13 50.61 1p9l s LEU 100 Cb -0.14 -1.53 0.02 0.00 0.66 0.00 0.00 46.19 45.20 1p9l s LEU 100 CO -0.01 0.03 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.64 1p9l s ILE 101 N 1.14 2.06 -0.09 6.68 1.01 0.25 0.25 121.20 132.50 1p9l s ILE 101 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1p9l s ILE 101 Cb -0.14 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1p9l s ILE 101 CO -0.07 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.22 1p9l s ALA 102 N 1.18 1.80 -0.01 9.38 0.00 -0.81 0.12 121.76 133.43 1p9l s ALA 102 Ca 0.02 -0.76 0.31 0.00 0.00 0.00 0.00 51.96 51.54 1p9l s ALA 102 Cb -0.14 -0.74 1.43 0.00 0.00 0.00 0.00 23.12 23.68 1p9l s ALA 102 CO -0.11 0.16 1.93 -1.00 0.00 0.00 0.00 175.76 176.74 1p9l h PRO 103 N 6.93 0.00 -1.92 0.00 0.13 -1.88 -3.42 132.00 131.85 1p9l h PRO 103 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1p9l h PRO 103 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1p9l h PRO 103 CO 0.48 0.00 0.14 1.21 -0.23 0.00 0.00 178.00 179.60 1p9l s ASN 104 N -4.88 -0.77 0.00 1.44 3.84 -1.26 -4.46 114.94 108.85 1p9l s ASN 104 Ca 0.00 1.36 0.19 0.00 0.21 0.00 0.00 52.86 54.63 1p9l s ASN 104 Cb 0.09 1.36 -0.03 0.00 -0.55 0.00 0.00 41.25 42.12 1p9l s ASN 104 CO 0.41 -0.23 0.93 0.49 -2.79 0.00 0.00 177.10 175.92 1p9l n PHE 105 N 3.31 0.00 -2.45 0.43 3.01 -1.26 -4.78 117.46 115.72 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 -2.23 3.40 0.15 4.37 0.00 -1.26 -3.85 121.76 122.34 1p9l s ALA 106 Ca 0.14 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1p9l s ALA 106 Cb 0.15 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1p9l s ALA 106 CO 0.52 -0.26 1.64 0.82 0.00 0.00 0.00 175.76 178.48 1p9l h ILE 107 N 3.58 1.24 -0.65 0.00 1.08 -1.92 -2.64 117.51 118.19 1p9l h ILE 107 Ca -0.45 -0.88 0.09 0.00 -0.39 0.00 0.00 64.86 63.23 1p9l h ILE 107 Cb 1.21 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 1p9l h ILE 107 CO 0.72 0.31 0.43 1.23 -0.69 0.00 0.00 178.15 180.15 1p9l h GLY 108 N 0.68 0.75 0.80 5.37 0.00 -1.96 0.18 103.07 108.89 1p9l h GLY 108 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1p9l h GLY 108 CO 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 176.54 176.53 1p9l h ALA 109 N 1.66 0.27 -0.59 3.60 0.00 -1.90 0.90 119.26 123.19 1p9l h ALA 109 Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1p9l h ALA 109 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1p9l h ALA 109 CO -0.09 0.16 0.32 0.28 0.00 0.00 0.00 179.25 179.92 1p9l h VAL 110 N 0.10 1.19 -0.69 0.00 2.07 -1.01 -2.08 116.25 115.82 1p9l h VAL 110 Ca 0.03 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1p9l h VAL 110 Cb 0.69 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1p9l h VAL 110 CO 0.04 0.21 0.22 -0.07 0.02 0.00 0.00 177.57 177.99 1p9l h LEU 111 N 0.80 0.99 -0.73 2.57 3.38 -0.56 -2.61 115.31 119.15 1p9l h LEU 111 Ca 0.21 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1p9l h LEU 111 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1p9l h LEU 111 CO -0.03 0.92 0.47 0.28 0.09 0.00 0.00 178.44 180.17 1p9l h SER 112 N 1.02 0.79 -0.03 -0.43 0.02 -0.41 -0.02 113.55 114.50 1p9l h SER 112 Ca 0.23 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1p9l h SER 112 Cb 0.28 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1p9l h SER 112 CO -0.01 0.56 -0.18 0.24 -1.14 0.00 0.00 176.83 176.31 1p9l h MET 113 N 0.94 0.38 0.15 3.45 2.86 -1.18 -0.43 114.93 121.10 1p9l h MET 113 Ca 0.28 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1p9l h MET 113 Cb -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1p9l h MET 113 CO -0.09 0.55 -0.07 1.25 1.06 0.00 0.00 176.91 179.61 1p9l h HIS 114 N 0.35 -0.19 -0.45 -0.22 6.17 -0.98 -2.69 115.15 117.14 1p9l h HIS 114 Ca 0.06 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 1p9l h HIS 114 Cb 0.52 0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 1p9l h HIS 114 CO 0.01 0.10 0.26 0.74 0.71 0.00 0.00 177.93 179.76 1p9l h PHE 115 N -0.48 0.61 -0.89 5.26 0.05 -0.90 -2.52 116.94 118.07 1p9l h PHE 115 Ca -0.02 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 61.85 1p9l h PHE 115 Cb 0.38 -0.20 -0.06 0.00 2.00 0.00 0.00 35.95 38.07 1p9l h PHE 115 CO 0.02 0.44 0.57 0.00 -0.18 0.00 0.00 178.31 179.16 1p9l h ALA 116 N 1.11 1.63 -0.35 2.45 0.00 -1.09 0.05 119.26 123.05 1p9l h ALA 116 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1p9l h ALA 116 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1p9l h ALA 116 CO -0.03 0.20 0.19 -0.22 0.00 0.00 0.00 179.25 179.39 1p9l h LYS 117 N 0.89 0.37 -0.32 0.00 3.64 -1.10 -1.69 116.57 118.37 1p9l h LYS 117 Ca 0.41 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1p9l h LYS 117 Cb 0.39 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1p9l h LYS 117 CO -0.17 0.25 -0.24 1.96 -2.27 0.00 0.00 179.45 178.97 1p9l h GLN 118 N 0.39 0.62 0.00 1.90 4.20 -0.86 -3.31 115.11 118.05 1p9l h GLN 118 Ca 0.14 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1p9l h GLN 118 Cb 0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1p9l h GLN 118 CO -0.08 0.81 -1.11 0.00 -0.67 0.00 0.00 178.83 177.77 1p9l h ALA 119 N 1.19 0.65 -0.93 3.87 0.00 -0.86 -3.40 119.26 119.78 1p9l h ALA 119 Ca 0.08 -0.72 0.22 0.00 0.00 0.00 0.00 54.91 54.49 1p9l h ALA 119 Cb 0.71 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1p9l h ALA 119 CO 0.05 0.83 -0.06 0.00 0.00 0.00 0.00 179.25 180.07 1p9l h ALA 120 N 1.44 0.91 0.00 0.00 0.00 -1.40 -0.46 119.26 119.75 1p9l h ALA 120 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p9l h ALA 120 Cb 1.52 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1p9l h ALA 120 CO 0.05 -0.48 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1p9l n ARG 121 N -5.49 0.07 0.00 0.00 1.74 -1.26 -3.13 116.66 108.59 1p9l n ARG 121 Ca 0.18 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.64 1p9l n ARG 121 Cb 0.61 -1.62 0.40 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.74 0.00 -4.39 -1.55 3.01 -0.18 -4.95 117.46 107.66 1p9l n PHE 122 Ca 0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.30 1p9l n PHE 122 Cb 0.24 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.56 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 -2.21 1.88 0.04 1.38 0.40 -1.18 -4.94 117.98 113.34 1p9l s PHE 123 Ca 0.31 -0.54 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1p9l s PHE 123 Cb 0.20 -0.90 -0.22 0.00 0.51 0.00 0.00 43.02 42.62 1p9l s PHE 123 CO 0.41 0.42 0.99 -0.44 0.70 0.00 0.00 175.22 177.31 1p9l h ASP 124 N 2.44 0.00 -4.29 1.36 5.19 -1.60 -3.47 116.42 116.05 1p9l h ASP 124 Ca -0.39 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.50 1p9l h ASP 124 Cb 1.23 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.49 1p9l h ASP 124 CO 0.63 0.99 -0.82 -0.44 -3.12 0.00 0.00 179.24 176.48 1p9l s SER 125 N -6.41 2.18 -0.12 6.45 0.01 0.13 -4.36 113.70 111.58 1p9l s SER 125 Ca -0.02 -0.52 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 1p9l s SER 125 Cb 0.09 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.22 1p9l s SER 125 CO 0.82 0.10 0.28 0.00 0.41 0.00 0.00 173.24 174.85 1p9l s ALA 126 N -0.88 -0.66 0.12 1.44 0.00 -1.25 -0.70 121.76 119.83 1p9l s ALA 126 Ca 0.05 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1p9l s ALA 126 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1p9l s ALA 126 CO 0.02 -0.33 -0.04 -1.21 0.00 0.00 0.00 175.76 174.20 1p9l s GLU 127 N 1.59 0.92 -0.10 0.00 2.02 -0.52 -4.35 118.70 118.26 1p9l s GLU 127 Ca -0.07 -1.40 0.01 0.00 0.02 0.00 0.00 54.97 53.54 1p9l s GLU 127 Cb -0.10 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 33.95 1p9l s GLU 127 CO -0.09 -0.07 -0.13 0.08 0.02 0.00 0.00 175.26 175.07 1p9l s VAL 128 N -3.66 1.32 -0.18 2.63 1.01 0.00 -1.60 120.40 119.93 1p9l s VAL 128 Ca 0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1p9l s VAL 128 Cb 0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1p9l s VAL 128 CO -0.02 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 174.82 1p9l s ILE 129 N 1.09 3.75 -0.03 2.22 1.01 -0.51 0.04 121.20 128.75 1p9l s ILE 129 Ca -0.05 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1p9l s ILE 129 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1p9l s ILE 129 CO -0.02 0.46 -0.23 -0.70 0.00 0.00 0.00 174.94 174.45 1p9l s GLU 130 N 0.75 2.08 -0.08 2.79 -6.30 0.31 0.75 118.70 118.99 1p9l s GLU 130 Ca -0.01 -0.83 -0.01 0.00 -2.50 0.00 0.00 54.97 51.62 1p9l s GLU 130 Cb -0.14 -1.89 0.03 0.00 0.00 0.00 0.00 34.13 32.12 1p9l s GLU 130 CO 0.02 0.43 -0.04 -0.51 0.02 0.00 0.00 175.26 175.18 1p9l s LEU 131 N -0.35 0.94 0.16 2.70 1.02 0.18 -0.24 118.68 123.10 1p9l s LEU 131 Ca 0.03 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.01 1p9l s LEU 131 Cb -0.11 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.45 1p9l s LEU 131 CO 0.01 -0.14 0.02 -1.00 0.02 0.00 0.00 176.35 175.26 1p9l s HIS 132 N 1.70 1.11 0.74 0.29 3.76 0.39 -0.10 115.29 123.18 1p9l s HIS 132 Ca 0.02 -1.10 -0.15 0.00 -0.15 0.00 0.00 55.06 53.68 1p9l s HIS 132 Cb -0.13 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 32.95 1p9l s HIS 132 CO -0.05 -0.32 0.97 -2.39 -0.85 0.00 0.00 174.74 172.10 1p9l n HIS 133 N -0.20 0.65 1.26 1.40 1.44 -1.08 -1.58 115.22 117.10 1p9l n HIS 133 Ca -0.06 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 1p9l n HIS 133 Cb 0.63 -2.07 0.00 0.00 0.12 0.00 0.00 29.99 28.67 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 -2.04 0.65 0.00 -1.40 -0.04 -1.25 -2.77 135.00 128.15 1p9l n PRO 134 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1p9l n PRO 134 Cb 0.50 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.45 0.00 -2.08 0.54 8.25 -1.26 -4.95 115.22 115.27 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 31.09 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 -2.44 4.25 0.17 -0.41 2.20 -1.11 -4.92 119.74 117.47 1p9l s LYS 136 Ca 0.13 2.15 0.05 0.00 -0.36 0.00 0.00 55.97 57.94 1p9l s LYS 136 Cb 0.15 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1p9l s LYS 136 CO 0.60 -0.63 1.38 0.00 -0.36 0.00 0.00 175.35 176.34 1p9l h ALA 137 N 7.91 0.53 -3.44 3.13 0.00 -1.92 -3.46 119.26 122.01 1p9l h ALA 137 Ca -0.40 -0.77 -0.68 0.00 0.00 0.00 0.00 54.91 53.06 1p9l h ALA 137 Cb 1.19 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 1p9l h ALA 137 CO 0.91 1.01 -0.65 0.16 0.00 0.00 0.00 179.25 180.69 1p9l s ASP 138 N -6.84 5.02 -0.04 0.00 -4.77 -1.26 -5.11 116.67 103.67 1p9l s ASP 138 Ca -0.01 0.08 -0.01 0.00 -3.30 0.00 0.00 52.55 49.30 1p9l s ASP 138 Cb 0.10 -1.39 0.03 0.00 -1.09 0.00 0.00 42.92 40.58 1p9l s ASP 138 CO 0.81 0.36 0.08 0.00 0.70 0.00 0.00 175.17 177.13 1p9l s ALA 139 N -0.79 -0.09 0.88 2.11 0.00 -1.26 -4.18 121.76 118.43 1p9l s ALA 139 Ca 0.12 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1p9l s ALA 139 Cb -0.11 -0.32 0.12 0.00 0.00 0.00 0.00 23.12 22.81 1p9l s ALA 139 CO 0.02 -0.12 1.15 -1.25 0.00 0.00 0.00 175.76 175.56 1p9l s PRO 140 N 0.99 1.40 0.89 0.00 0.04 -1.26 -5.09 135.00 131.97 1p9l s PRO 140 Ca -0.08 0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.10 1p9l s PRO 140 Cb -0.11 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.69 1p9l s PRO 140 CO -0.04 -2.01 1.14 -1.54 0.04 0.00 0.00 177.00 174.59 1p9l s SER 141 N -4.19 3.17 0.19 6.66 1.04 -1.26 -4.83 113.70 114.48 1p9l s SER 141 Ca 0.63 2.14 -0.08 0.00 0.48 0.00 0.00 55.95 59.13 1p9l s SER 141 Cb -0.14 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.51 1p9l s SER 141 CO 0.52 -2.94 1.61 1.23 0.98 0.00 0.00 173.24 174.64 1p9l h GLY 142 N -1.73 1.03 0.42 7.32 0.00 -1.91 -1.83 103.07 106.36 1p9l h GLY 142 Ca -0.43 -0.85 0.06 0.00 0.00 0.00 0.00 47.33 46.11 1p9l h GLY 142 CO 0.43 0.77 -0.06 -0.84 0.00 0.00 0.00 176.54 176.85 1p9l h THR 143 N 0.84 0.71 -0.22 4.70 2.02 -1.92 0.69 112.91 119.73 1p9l h THR 143 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1p9l h THR 143 Cb 0.70 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1p9l h THR 143 CO 0.05 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.09 1p9l h ALA 144 N 1.30 0.27 -0.48 6.16 0.00 -1.88 0.56 119.26 125.18 1p9l h ALA 144 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p9l h ALA 144 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1p9l h ALA 144 CO -0.30 -0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.00 1p9l h ALA 145 N 1.07 0.62 -0.82 0.00 0.00 -1.03 0.19 119.26 119.27 1p9l h ALA 145 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1p9l h ALA 145 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1p9l h ALA 145 CO -0.02 0.11 0.41 -0.09 0.00 0.00 0.00 179.25 179.67 1p9l h ARG 146 N 0.64 1.17 -0.48 0.00 2.43 -0.69 -0.25 114.38 117.20 1p9l h ARG 146 Ca 0.17 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1p9l h ARG 146 Cb 0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1p9l h ARG 146 CO -0.03 0.89 -0.00 1.15 -1.51 0.00 0.00 179.97 180.46 1p9l h THR 147 N 1.17 1.24 -0.43 0.20 2.02 -0.32 -1.06 112.91 115.73 1p9l h THR 147 Ca 0.29 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 1p9l h THR 147 Cb 0.09 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1p9l h THR 147 CO -0.04 0.36 -0.23 0.00 0.37 0.00 0.00 175.52 175.98 1p9l h ALA 148 N 1.25 0.77 -0.24 6.16 0.00 -0.45 -2.37 119.26 124.37 1p9l h ALA 148 Ca 0.14 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1p9l h ALA 148 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1p9l h ALA 148 CO 0.02 0.66 0.03 0.87 0.00 0.00 0.00 179.25 180.82 1p9l h LYS 149 N 0.77 0.11 -0.62 0.00 1.79 -0.66 -1.77 116.57 116.18 1p9l h LYS 149 Ca 0.10 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1p9l h LYS 149 Cb 0.78 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 1p9l h LYS 149 CO 0.06 0.07 0.40 -0.07 -1.08 0.00 0.00 179.45 178.83 1p9l h LEU 150 N 0.11 0.67 -0.45 2.94 3.38 -1.14 -0.67 115.31 120.15 1p9l h LEU 150 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1p9l h LEU 150 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1p9l h LEU 150 CO -0.17 0.48 0.12 0.40 0.09 0.00 0.00 178.44 179.36 1p9l h ILE 151 N 0.80 1.23 -0.13 1.22 2.04 -1.28 -1.03 117.51 120.37 1p9l h ILE 151 Ca 0.24 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1p9l h ILE 151 Cb -0.05 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1p9l h ILE 151 CO -0.07 0.29 0.08 0.00 0.00 0.00 0.00 178.15 178.45 1p9l h ALA 152 N 0.98 0.16 -0.27 1.87 0.00 -1.09 -1.92 119.26 118.99 1p9l h ALA 152 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1p9l h ALA 152 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1p9l h ALA 152 CO 0.00 -0.35 -0.04 1.49 0.00 0.00 0.00 179.25 180.35 1p9l h GLU 153 N 0.17 0.42 0.00 0.00 4.57 -1.03 -1.61 114.58 117.10 1p9l h GLU 153 Ca 0.05 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1p9l h GLU 153 Cb -0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1p9l h GLU 153 CO -0.01 0.48 0.00 0.00 -1.18 0.00 0.00 179.01 178.30 1p9l h ALA 154 N 1.57 1.00 -0.50 2.92 0.00 -0.77 -3.05 119.26 120.43 1p9l h ALA 154 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p9l h ALA 154 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1p9l h ALA 154 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1p9l n ARG 155 N -2.78 3.18 -1.59 0.00 1.74 -0.63 -4.56 116.66 112.02 1p9l n ARG 155 Ca 0.02 -2.58 -0.49 0.00 -0.77 0.00 0.00 57.85 54.04 1p9l n ARG 155 Cb 0.34 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.72 1.28 -0.03 5.56 4.81 -1.04 -1.05 118.16 128.40 1p9l n LYS 156 Ca 0.20 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1p9l n LYS 156 Cb 0.70 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 2.14 1.10 3.86 3.14 0.00 -1.26 -5.04 105.19 109.13 1p9l n GLY 157 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 3.98 0.89 0.99 1.43 -0.22 -5.11 118.68 120.65 1p9l s LEU 158 Ca 0.00 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1p9l s LEU 158 Cb 0.00 -2.54 0.13 0.00 0.03 0.00 0.00 46.19 43.80 1p9l s LEU 158 CO 0.00 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 1p9l s PRO 159 N -3.60 1.29 0.92 1.29 0.04 -1.26 -5.02 135.00 128.66 1p9l s PRO 159 Ca 0.33 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1p9l s PRO 159 Cb -0.09 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1p9l s PRO 159 CO 0.26 -2.21 1.11 -2.14 0.04 0.00 0.00 177.00 174.05 1p9l s PRO 160 N -4.95 1.04 0.28 0.56 0.02 -1.26 -4.96 135.00 125.72 1p9l s PRO 160 Ca 0.63 0.51 -0.30 0.00 0.02 0.00 0.00 61.00 61.86 1p9l s PRO 160 Cb -0.18 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1p9l s PRO 160 CO 0.57 -2.32 1.49 0.09 -0.33 0.00 0.00 177.00 176.50 1p9l n ASN 161 N -3.89 3.29 -4.71 2.53 3.02 -1.26 -4.92 115.26 109.32 1p9l n ASN 161 Ca 0.06 1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 55.34 1p9l n ASN 161 Cb 0.57 -1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 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 -0.63 4.49 -0.18 3.52 0.04 -1.26 -5.01 135.00 135.96 1p9l s PRO 162 Ca 0.65 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 1p9l s PRO 162 Cb -0.57 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 30.66 1p9l s PRO 162 CO 0.51 -0.16 0.32 0.34 0.04 0.00 0.00 177.00 178.04 1p9l s ASP 163 N 1.04 0.36 -0.08 6.66 2.15 -1.26 -5.01 116.67 120.53 1p9l s ASP 163 Ca 0.55 0.45 0.11 0.00 0.43 0.00 0.00 52.55 54.10 1p9l s ASP 163 Cb -0.25 0.89 0.46 0.00 -0.30 0.00 0.00 42.92 43.72 1p9l s ASP 163 CO 0.28 -0.27 1.30 0.00 -0.17 0.00 0.00 175.17 176.32 1p9l n ALA 164 N 5.36 2.94 -1.68 3.66 0.00 -1.26 -4.96 120.51 124.57 1p9l n ALA 164 Ca -0.06 -1.01 -0.47 0.00 0.00 0.00 0.00 53.44 51.91 1p9l n ALA 164 Cb 0.50 -1.03 -0.04 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 0.28 -0.01 0.00 -1.04 -1.26 -4.84 114.28 108.00 1p9l n THR 165 Ca 0.16 -0.05 -0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1p9l n THR 165 Cb 0.63 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 67.41 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 4.99 4.57 -4.00 8.00 3.41 -1.26 -5.02 113.62 124.32 1p9l n SER 166 Ca 0.20 -0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.62 1p9l n SER 166 Cb 0.30 0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.03 0.66 0.02 6.66 -4.23 -1.26 -5.14 115.64 110.31 1p9l s THR 167 Ca -0.01 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 59.89 1p9l s THR 167 Cb 0.00 -0.57 0.08 0.00 1.34 0.00 0.00 72.50 73.35 1p9l s THR 167 CO 0.06 0.20 0.69 -0.94 -0.54 0.00 0.00 174.62 174.09 1p9l s SER 168 N -0.02 -0.59 0.38 3.99 1.04 -1.26 -5.14 113.70 112.10 1p9l s SER 168 Ca 0.01 0.39 -0.25 0.00 0.48 0.00 0.00 55.95 56.58 1p9l s SER 168 Cb -0.05 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.51 1p9l s SER 168 CO -0.00 -0.72 1.11 -0.76 0.98 0.00 0.00 173.24 173.85 1p9l s LEU 169 N -1.82 4.22 0.27 2.42 1.43 -1.26 -4.96 118.68 118.98 1p9l s LEU 169 Ca -0.05 2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 1p9l s LEU 169 Cb -0.00 -4.04 -0.13 0.00 0.03 0.00 0.00 46.19 42.05 1p9l s LEU 169 CO 0.00 -0.54 1.49 -2.65 0.23 0.00 0.00 176.35 174.89 1p9l n PRO 170 N 0.15 2.35 0.00 1.29 -0.02 -1.26 -1.97 135.00 135.54 1p9l n PRO 170 Ca 0.04 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1p9l n PRO 170 Cb 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.12 2.75 0.36 -1.23 0.00 -1.26 -4.89 105.19 103.03 1p9l n GLY 171 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 1.55 -0.18 4.61 0.00 -1.79 -0.48 119.26 122.97 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 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1p9l h ALA 172 CO 0.00 0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1p9l n ARG 173 N -4.62 1.44 0.00 0.00 5.12 -1.26 -5.03 116.66 112.31 1p9l n ARG 173 Ca 0.19 -0.68 0.00 0.00 -1.93 0.00 0.00 57.85 55.43 1p9l n ARG 173 Cb 0.37 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 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 0.82 -2.17 3.81 -0.13 0.00 -0.19 -4.65 105.19 102.67 1p9l n GLY 174 Ca 0.07 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.03 3.52 -0.27 4.61 0.00 -0.02 -4.82 121.76 123.75 1p9l s ALA 175 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1p9l s ALA 175 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1p9l s ALA 175 CO 0.00 0.37 0.64 0.34 0.00 0.00 0.00 175.76 177.12 1p9l s ASP 176 N -1.38 6.57 -0.42 0.00 3.68 -1.26 -0.40 116.67 123.46 1p9l s ASP 176 Ca 0.36 0.65 0.03 0.00 2.13 0.00 0.00 52.55 55.72 1p9l s ASP 176 Cb -0.18 -2.34 0.12 0.00 -1.45 0.00 0.00 42.92 39.06 1p9l s ASP 176 CO 0.21 -0.41 0.16 -0.69 0.13 0.00 0.00 175.17 174.56 1p9l s VAL 177 N 2.56 2.21 -1.44 1.11 1.01 -0.52 -4.70 120.40 120.62 1p9l s VAL 177 Ca 0.26 -2.69 -0.08 0.00 0.00 0.00 0.00 61.98 59.48 1p9l s VAL 177 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1p9l s VAL 177 CO 0.09 -0.72 0.96 0.47 0.00 0.00 0.00 175.10 175.91 1p9l n ASP 178 N 3.77 -6.13 0.00 3.32 9.92 -1.26 -1.43 116.55 124.74 1p9l n ASP 178 Ca 0.04 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1p9l n ASP 178 Cb 0.37 -4.87 0.00 0.00 -0.64 0.00 0.00 41.12 35.98 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 -1.81 0.66 3.33 0.44 0.00 -1.26 -4.79 105.19 101.76 1p9l n GLY 179 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.64 3.37 0.22 -0.61 -1.09 -0.51 -4.74 121.20 115.20 1p9l s ILE 180 Ca 0.00 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.62 1p9l s ILE 180 Cb 0.00 -2.52 -0.09 0.00 -1.58 0.00 0.00 42.46 38.27 1p9l s ILE 180 CO 0.00 0.44 1.31 -2.84 -1.23 0.00 0.00 174.94 172.62 1p9l s PRO 181 N 1.28 4.38 -0.10 2.79 0.02 -1.26 -1.44 135.00 140.68 1p9l s PRO 181 Ca 0.03 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.15 1p9l s PRO 181 Cb -0.14 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.22 1p9l s PRO 181 CO -0.02 -0.24 -0.14 0.08 -0.33 0.00 0.00 177.00 176.34 1p9l s VAL 182 N -0.07 1.41 -0.14 3.83 1.01 0.47 -0.82 120.40 126.09 1p9l s VAL 182 Ca 0.56 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1p9l s VAL 182 Cb -0.37 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1p9l s VAL 182 CO 0.40 0.42 -0.10 -1.00 0.00 0.00 0.00 175.10 174.82 1p9l s HIS 183 N 0.94 2.88 -0.26 5.22 3.76 0.11 -0.84 115.29 127.10 1p9l s HIS 183 Ca -0.08 -0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 54.21 1p9l s HIS 183 Cb -0.15 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 1p9l s HIS 183 CO -0.00 -0.18 0.04 0.00 -0.85 0.00 0.00 174.74 173.74 1p9l s ALA 184 N 0.41 3.01 -0.20 -1.40 0.00 -1.26 -0.53 121.76 121.78 1p9l s ALA 184 Ca -0.08 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1p9l s ALA 184 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1p9l s ALA 184 CO 0.04 -0.65 0.11 0.08 0.00 0.00 0.00 175.76 175.34 1p9l s VAL 185 N 1.52 5.14 -0.31 0.00 1.01 0.67 -5.01 120.40 123.43 1p9l s VAL 185 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1p9l s VAL 185 Cb -0.16 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1p9l s VAL 185 CO 0.01 0.43 -0.01 -0.13 0.00 0.00 0.00 175.10 175.39 1p9l s ARG 186 N 0.51 1.87 -0.03 2.72 1.81 -1.26 -0.46 118.95 124.11 1p9l s ARG 186 Ca 0.06 -1.62 0.02 0.00 -1.72 0.00 0.00 55.73 52.47 1p9l s ARG 186 Cb -0.12 -3.09 0.01 0.00 -0.45 0.00 0.00 34.95 31.30 1p9l s ARG 186 CO 0.00 -0.77 -0.08 -1.17 -0.68 0.00 0.00 175.30 172.59 1p9l s LEU 187 N 1.01 1.73 0.34 2.53 2.96 -0.62 -4.73 118.68 121.91 1p9l s LEU 187 Ca 0.02 -0.18 -0.28 0.00 -0.22 0.00 0.00 54.13 53.47 1p9l s LEU 187 Cb -0.20 -0.53 -0.12 0.00 0.50 0.00 0.00 46.19 45.84 1p9l s LEU 187 CO -0.06 0.05 1.33 0.00 -1.32 0.00 0.00 176.35 176.34 1p9l n ALA 188 N 3.39 1.44 0.00 5.97 0.00 -1.26 -2.46 120.51 127.59 1p9l n ALA 188 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1p9l n ALA 188 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 0.85 3.39 3.90 0.00 0.00 -1.26 -5.02 105.19 107.05 1p9l n GLY 189 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 3.44 0.00 0.99 1.43 -1.03 -5.04 118.68 118.46 1p9l s LEU 190 Ca 0.00 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1p9l s LEU 190 Cb 0.00 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1p9l s LEU 190 CO 0.00 -0.78 0.00 0.52 0.23 0.00 0.00 176.35 176.32 1p9l n VAL 191 N -2.45 0.00 -3.52 -1.59 0.31 -1.26 -3.66 118.33 106.16 1p9l n VAL 191 Ca 0.03 0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1p9l n VAL 191 Cb 0.56 -0.75 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 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 -2.40 -1.29 -0.02 3.52 0.00 -1.15 -2.64 121.76 117.78 1p9l s ALA 192 Ca 0.00 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.32 1p9l s ALA 192 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1p9l s ALA 192 CO 0.00 -0.97 0.12 -1.01 0.00 0.00 0.00 175.76 173.90 1p9l s HIS 193 N 2.63 -0.01 -0.08 0.00 3.76 0.86 0.25 115.29 122.71 1p9l s HIS 193 Ca 0.04 0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.90 1p9l s HIS 193 Cb -0.13 -0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.55 1p9l s HIS 193 CO -0.15 -0.19 0.22 -1.14 -0.85 0.00 0.00 174.74 172.63 1p9l s GLN 194 N -0.82 0.25 -0.09 1.40 0.74 -0.48 0.51 119.66 121.16 1p9l s GLN 194 Ca -0.09 0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.66 1p9l s GLN 194 Cb -0.05 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.18 1p9l s GLN 194 CO 0.01 -0.03 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.32 1p9l s GLU 195 N 0.14 2.49 -0.20 1.67 2.02 0.23 -0.59 118.70 124.46 1p9l s GLU 195 Ca -0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.26 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 0.08 -0.01 0.08 0.02 0.00 0.00 175.26 175.44 1p9l s VAL 196 N 0.57 3.88 -0.21 2.63 1.01 -0.40 -1.43 120.40 126.45 1p9l s VAL 196 Ca -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1p9l s VAL 196 Cb -0.17 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1p9l s VAL 196 CO 0.05 0.43 -0.06 -0.76 0.00 0.00 0.00 175.10 174.76 1p9l s LEU 197 N 1.05 2.84 -0.06 3.92 1.02 -0.62 -1.77 118.68 125.06 1p9l s LEU 197 Ca 0.02 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.80 1p9l s LEU 197 Cb -0.14 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 1p9l s LEU 197 CO 0.01 -0.01 -0.14 -0.36 0.02 0.00 0.00 176.35 175.88 1p9l s PHE 198 N 1.39 2.73 0.01 0.29 0.40 0.21 -1.44 117.98 121.56 1p9l s PHE 198 Ca 0.05 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1p9l s PHE 198 Cb -0.14 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 1p9l s PHE 198 CO -0.03 0.16 0.01 0.20 0.70 0.00 0.00 175.22 176.25 1p9l s GLY 199 N -0.63 0.13 0.17 4.36 0.00 0.12 -0.77 107.32 110.70 1p9l s GLY 199 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1p9l s GLY 199 CO 0.01 -0.36 0.21 -0.37 0.00 0.00 0.00 173.10 172.59 1p9l n THR 200 N 2.11 0.00 -1.43 0.90 5.66 -0.94 -0.69 114.28 119.89 1p9l n THR 200 Ca -0.20 -0.94 -0.51 0.00 -3.05 0.00 0.00 64.05 59.36 1p9l n THR 200 Cb 0.57 0.54 -0.07 0.00 -1.55 0.00 0.00 70.33 69.82 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 -0.29 1.00 -1.08 1.09 4.07 -1.26 -2.63 120.64 121.55 1p9l n GLU 201 Ca 0.01 0.27 -0.03 0.00 -0.06 0.00 0.00 57.16 57.35 1p9l n GLU 201 Cb 0.28 -2.41 -0.01 0.00 -0.06 0.00 0.00 31.44 29.24 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 6.60 0.52 3.42 8.31 0.00 -1.26 -4.99 105.19 117.78 1p9l n GLY 202 Ca 0.42 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.41 1.23 0.03 1.61 -1.05 -1.08 -5.17 118.70 112.85 1p9l s GLU 203 Ca 0.00 -0.42 -0.01 0.00 -0.15 0.00 0.00 54.97 54.39 1p9l s GLU 203 Cb 0.00 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 1p9l s GLU 203 CO 0.00 -0.52 -0.02 0.95 0.95 0.00 0.00 175.26 176.63 1p9l s THR 204 N -3.47 0.13 -0.12 1.83 -4.23 -1.26 -2.21 115.64 106.31 1p9l s THR 204 Ca -0.00 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.47 1p9l s THR 204 Cb -0.01 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1p9l s THR 204 CO -0.10 -0.59 -0.21 -0.22 -0.54 0.00 0.00 174.62 172.96 1p9l s LEU 205 N -1.74 2.22 -0.11 4.79 0.20 0.05 -4.98 118.68 119.11 1p9l s LEU 205 Ca -0.11 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.20 1p9l s LEU 205 Cb -0.06 -1.46 0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1p9l s LEU 205 CO -0.03 0.13 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.10 1p9l s THR 206 N 0.51 1.66 -0.30 3.68 2.01 -1.26 -0.62 115.64 121.32 1p9l s THR 206 Ca -0.13 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 1p9l s THR 206 Cb -0.17 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.88 1p9l s THR 206 CO 0.05 0.47 0.07 -0.63 -0.69 0.00 0.00 174.62 173.89 1p9l s ILE 207 N 0.84 3.76 -0.12 1.82 1.09 -0.73 -4.95 121.20 122.91 1p9l s ILE 207 Ca -0.09 -0.88 0.01 0.00 -1.10 0.00 0.00 60.65 58.59 1p9l s ILE 207 Cb -0.16 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1p9l s ILE 207 CO 0.00 0.01 -0.15 -0.60 -0.10 0.00 0.00 174.94 174.10 1p9l s ARG 208 N 1.44 3.23 -0.06 2.79 3.52 -1.26 -1.28 118.95 127.34 1p9l s ARG 208 Ca 0.01 -0.73 0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1p9l s ARG 208 Cb -0.18 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1p9l s ARG 208 CO 0.02 0.25 -0.23 -1.58 -0.81 0.00 0.00 175.30 172.95 1p9l s HIS 209 N 0.25 2.51 -0.13 5.12 5.65 0.24 -5.00 115.29 123.92 1p9l s HIS 209 Ca -0.10 -0.64 -0.00 0.00 0.25 0.00 0.00 55.06 54.57 1p9l s HIS 209 Cb -0.16 -1.62 0.03 0.00 -1.18 0.00 0.00 32.58 29.65 1p9l s HIS 209 CO 0.06 -0.16 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.39 1p9l s ASP 210 N -0.20 2.40 -0.51 9.88 1.11 -1.26 -1.39 116.67 126.69 1p9l s ASP 210 Ca -0.02 -0.40 -0.18 0.00 0.18 0.00 0.00 52.55 52.13 1p9l s ASP 210 Cb -0.13 -0.93 0.08 0.00 1.07 0.00 0.00 42.92 43.00 1p9l s ASP 210 CO 0.03 -0.12 0.56 -0.44 1.18 0.00 0.00 175.17 176.39 1p9l s SER 211 N 1.65 6.19 0.39 0.27 0.01 0.14 -4.86 113.70 117.49 1p9l s SER 211 Ca 0.04 -1.20 0.24 0.00 1.31 0.00 0.00 55.95 56.35 1p9l s SER 211 Cb -0.13 -2.25 0.50 0.00 0.21 0.00 0.00 66.02 64.34 1p9l s SER 211 CO -0.09 -0.86 1.67 -0.07 0.41 0.00 0.00 173.24 174.30 1p9l h LEU 212 N 9.40 0.00 -7.51 2.44 4.07 -1.98 -3.04 115.31 118.70 1p9l h LEU 212 Ca -0.28 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.56 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 0.97 0.00 -0.28 -0.62 -1.08 0.00 0.00 178.44 177.43 1p9l s ASP 213 N -5.78 -0.20 0.00 -0.43 -1.08 -1.26 -4.82 116.67 103.09 1p9l s ASP 213 Ca 0.08 0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.37 1p9l s ASP 213 Cb 0.07 0.33 0.67 0.00 -1.46 0.00 0.00 42.92 42.53 1p9l s ASP 213 CO 0.64 -0.43 1.49 0.54 0.52 0.00 0.00 175.17 177.93 1p9l n ARG 214 N 1.37 0.03 0.27 4.34 1.74 -1.26 -1.55 116.66 121.59 1p9l n ARG 214 Ca -0.21 0.22 0.15 0.00 -0.77 0.00 0.00 57.85 57.25 1p9l n ARG 214 Cb 0.56 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.27 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 0.32 -0.03 0.55 1.35 -1.97 -2.75 112.91 110.38 1p9l h THR 215 Ca 0.00 -0.51 0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1p9l h THR 215 Cb 0.25 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1p9l h THR 215 CO 0.00 0.08 0.10 0.77 -0.25 0.00 0.00 175.52 176.22 1p9l h SER 216 N 0.00 0.00 0.56 5.36 4.64 -1.72 -0.94 113.55 121.46 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1p9l h SER 216 CO 0.01 0.00 -0.39 0.49 -0.87 0.00 0.00 176.83 176.07 1p9l n PHE 217 N -3.29 0.00 -0.02 4.77 3.01 -1.04 -4.28 117.46 116.61 1p9l n PHE 217 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1p9l n PHE 217 Cb 0.18 -0.28 -0.09 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.09 1.36 -0.57 -4.37 2.07 -1.34 -2.45 116.25 111.04 1p9l h VAL 218 Ca 0.00 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1p9l h VAL 218 Cb 0.50 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1p9l h VAL 218 CO 0.00 0.30 0.26 -0.65 0.02 0.00 0.00 177.57 177.50 1p9l h PRO 219 N -0.34 0.47 -0.40 1.57 0.11 -1.78 0.16 132.00 131.78 1p9l h PRO 219 Ca 0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1p9l h PRO 219 Cb 0.50 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1p9l h PRO 219 CO 0.01 0.31 0.23 0.78 -0.21 0.00 0.00 178.00 179.12 1p9l h GLY 220 N 0.48 0.58 0.85 -0.55 0.00 -1.66 0.19 103.07 102.96 1p9l h GLY 220 Ca 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1p9l h GLY 220 CO -0.23 0.24 0.01 -2.08 0.00 0.00 0.00 176.54 174.49 1p9l h VAL 221 N 0.52 1.13 -0.26 4.60 2.07 -0.81 -2.35 116.25 121.15 1p9l h VAL 221 Ca 0.14 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1p9l h VAL 221 Cb 0.02 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1p9l h VAL 221 CO -0.03 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.58 1p9l h LEU 222 N -0.10 0.36 -0.37 2.57 3.38 -0.67 0.27 115.31 120.76 1p9l h LEU 222 Ca 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1p9l h LEU 222 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1p9l h LEU 222 CO -0.00 0.45 0.20 0.25 0.09 0.00 0.00 178.44 179.43 1p9l h LEU 223 N 0.38 0.46 -0.60 1.67 5.85 -0.82 -1.27 115.31 120.97 1p9l h LEU 223 Ca 0.08 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1p9l h LEU 223 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1p9l h LEU 223 CO 0.01 0.41 -0.02 0.00 -0.34 0.00 0.00 178.44 178.50 1p9l h ALA 224 N 1.07 0.81 -0.71 1.25 0.00 -0.80 -2.61 119.26 118.27 1p9l h ALA 224 Ca 0.13 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1p9l h ALA 224 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1p9l h ALA 224 CO -0.02 0.66 0.42 0.28 0.00 0.00 0.00 179.25 180.60 1p9l h VAL 225 N 0.97 1.03 -0.29 0.00 2.07 -0.18 -0.50 116.25 119.35 1p9l h VAL 225 Ca 0.17 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1p9l h VAL 225 Cb 0.58 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1p9l h VAL 225 CO 0.03 0.15 -0.52 0.03 0.02 0.00 0.00 177.57 177.28 1p9l h ARG 226 N 0.80 0.83 -0.62 1.57 3.08 -1.10 -3.25 114.38 115.70 1p9l h ARG 226 Ca 0.30 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1p9l h ARG 226 Cb 0.11 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1p9l h ARG 226 CO -0.15 1.15 0.00 0.54 -1.07 0.00 0.00 179.97 180.44 1p9l n ARG 227 N -4.01 3.27 -0.28 0.04 1.74 -1.00 -4.66 116.66 111.77 1p9l n ARG 227 Ca -0.04 -2.72 0.06 0.00 -0.77 0.00 0.00 57.85 54.38 1p9l n ARG 227 Cb 0.61 -1.71 0.16 0.00 -1.02 0.00 0.00 32.46 30.50 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 3.80 0.22 0.00 0.55 6.09 -1.12 0.11 117.51 127.15 1p9l h ILE 228 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1p9l h ILE 228 Cb 1.21 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.68 1p9l h ILE 228 CO 0.13 0.01 0.00 0.00 -3.07 0.00 0.00 178.15 175.22 1p9l n ALA 229 N -3.14 2.41 0.17 0.18 0.00 -1.26 -3.26 120.51 115.61 1p9l n ALA 229 Ca 0.14 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1p9l n ALA 229 Cb 0.50 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.98 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 0.00 -3.95 0.00 5.08 -1.13 -3.39 114.58 111.19 1p9l h GLU 230 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1p9l h GLU 230 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 1p9l h GLU 230 CO 0.00 0.45 -0.74 1.03 -1.00 0.00 0.00 179.01 178.74 1p9l s ARG 231 N -3.97 1.03 0.61 2.33 0.52 -1.20 -5.12 118.95 113.15 1p9l s ARG 231 Ca -0.02 -1.42 -0.18 0.00 -0.52 0.00 0.00 55.73 53.59 1p9l s ARG 231 Cb 0.14 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1p9l s ARG 231 CO 0.73 -0.98 1.20 -1.25 0.02 0.00 0.00 175.30 175.02 1p9l s PRO 232 N 1.29 2.91 0.30 3.54 0.04 -1.26 -4.61 135.00 137.21 1p9l s PRO 232 Ca 0.11 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1p9l s PRO 232 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1p9l s PRO 232 CO -0.18 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1p9l n GLY 233 N 0.42 -1.61 3.81 0.56 0.00 0.19 -4.92 105.19 103.65 1p9l n GLY 233 Ca 0.13 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 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 4.33 -0.11 0.99 2.96 -1.26 -0.47 118.68 125.12 1p9l s LEU 234 Ca 0.00 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1p9l s LEU 234 Cb 0.00 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.53 1p9l s LEU 234 CO 0.00 0.30 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.30 1p9l s THR 235 N -0.46 1.36 -0.24 3.68 2.01 0.11 -4.95 115.64 117.15 1p9l s THR 235 Ca 0.14 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1p9l s THR 235 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1p9l s THR 235 CO 0.04 0.42 0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 1p9l s VAL 236 N 1.12 4.27 0.00 3.82 1.01 -1.26 -0.58 120.40 128.78 1p9l s VAL 236 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1p9l s VAL 236 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1p9l s VAL 236 CO -0.03 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1p9l n GLY 237 N 4.74 2.24 0.03 4.51 0.00 0.32 -4.82 105.19 112.21 1p9l n GLY 237 Ca -0.16 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.09 1p9l n GLY 237 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p9l n LEU 238 N 0.00 0.52 -0.29 0.99 7.94 -1.26 -4.52 117.00 120.38 1p9l n LEU 238 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1p9l n LEU 238 Cb 0.00 -0.05 0.07 0.00 0.53 0.00 0.00 43.42 43.97 1p9l n LEU 238 CO 0.00 0.05 0.66 -0.33 -1.11 0.00 0.00 177.39 176.66 1p9l h GLU 239 N 0.00 -0.04 -0.85 1.96 3.07 -1.89 -1.77 114.58 115.07 1p9l h GLU 239 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1p9l h GLU 239 Cb 0.79 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.65 1p9l h GLU 239 CO 0.00 -0.02 0.55 -1.35 -1.40 0.00 0.00 179.01 176.79 1p9l h PRO 240 N -0.04 0.52 0.03 2.33 0.11 -1.79 -2.11 132.00 131.05 1p9l h PRO 240 Ca 0.35 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 1p9l h PRO 240 Cb 0.59 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.60 1p9l h PRO 240 CO -0.84 0.34 -0.47 -0.07 -0.21 0.00 0.00 178.00 176.76 1p9l h LEU 241 N 0.53 0.36 0.00 2.35 4.07 -1.66 -3.22 115.31 117.74 1p9l h LEU 241 Ca 0.43 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1p9l h LEU 241 Cb 0.87 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1p9l h LEU 241 CO -0.17 1.15 0.00 0.18 -1.08 0.00 0.00 178.44 178.52 1p9l n LEU 242 N -4.34 0.00 -3.57 1.67 4.32 -0.82 -4.87 117.00 109.40 1p9l n LEU 242 Ca -0.11 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.66 1p9l n LEU 242 Cb 0.63 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.44 1p9l n LEU 242 CO 0.43 0.00 -0.14 -0.67 -1.22 0.00 0.00 177.39 175.79 1p9l n ASP 243 N -0.90 -5.63 0.00 -1.43 4.64 -0.84 -4.93 116.55 107.46 1p9l n ASP 243 Ca 0.08 -0.58 0.00 0.00 -1.38 0.00 0.00 54.79 52.91 1p9l n ASP 243 Cb 0.04 -2.47 0.00 0.00 -1.04 0.00 0.00 41.12 37.64 1p9l n ASP 243 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p9l n LEU 244 N -1.88 0.00 0.00 -2.67 -0.00 -1.14 -5.08 117.00 106.23 1p9l n LEU 244 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1p9l n LEU 244 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1p9l n LEU 244 CO 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.99