#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9j s VAL 2 N 0.00 4.59 0.68 9.51 1.01 -1.26 -2.38 120.40 132.55 3i9j s VAL 2 Ca 0.00 1.73 -0.13 0.00 0.00 0.00 0.00 61.98 63.58 3i9j s VAL 2 Cb 0.00 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3i9j s VAL 2 CO 0.00 0.40 1.09 -2.84 0.00 0.00 0.00 175.10 173.75 3i9j s PRO 3 N -0.33 2.76 0.20 2.72 0.02 -1.26 -4.87 135.00 134.24 3i9j s PRO 3 Ca 0.39 1.25 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 3i9j s PRO 3 Cb -0.22 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 3i9j s PRO 3 CO 0.25 -1.26 1.39 0.99 -0.33 0.00 0.00 177.00 178.04 3i9j s THR 4 N -2.59 2.98 0.49 0.99 2.01 0.16 -4.95 115.64 114.73 3i9j s THR 4 Ca 0.64 0.79 -0.20 0.00 0.31 0.00 0.00 61.69 63.23 3i9j s THR 4 Cb -0.18 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 3i9j s THR 4 CO 0.46 0.11 1.02 -0.13 -0.69 0.00 0.00 174.62 175.38 3i9j s ARG 5 N 0.04 3.86 -1.40 4.92 0.52 -1.26 -4.06 118.95 121.57 3i9j s ARG 5 Ca 0.60 1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 57.05 3i9j s ARG 5 Cb -0.39 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 32.97 3i9j s ARG 5 CO 0.38 -0.37 0.41 0.39 0.02 0.00 0.00 175.30 176.14 3i9j n GLU 6 N -1.06 -3.14 -0.15 3.54 1.02 -1.26 -4.78 120.64 114.81 3i9j n GLU 6 Ca 0.08 0.39 -0.03 0.00 -0.02 0.00 0.00 57.16 57.59 3i9j n GLU 6 Cb 0.53 -4.47 0.04 0.00 -0.02 0.00 0.00 31.44 27.52 3i9j n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9j h LEU 7 N -1.84 -0.38 -0.48 -4.62 5.85 -1.99 -0.08 115.31 111.76 3i9j h LEU 7 Ca -0.63 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3i9j h LEU 7 Cb 1.38 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 3i9j h LEU 7 CO 0.62 -0.14 0.27 -0.08 -0.34 0.00 0.00 178.44 178.77 3i9j h GLU 8 N 0.03 0.66 -0.52 1.25 4.81 -1.94 0.10 114.58 118.98 3i9j h GLU 8 Ca 0.23 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3i9j h GLU 8 Cb 0.36 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3i9j h GLU 8 CO -0.47 0.52 0.13 -0.91 -0.73 0.00 0.00 179.01 177.55 3i9j h ASN 9 N 0.63 0.72 -0.10 1.04 2.35 -1.62 0.18 115.58 118.78 3i9j h ASN 9 Ca 0.17 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3i9j h ASN 9 Cb 0.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3i9j h ASN 9 CO -0.03 0.71 -0.29 0.58 -1.65 0.00 0.00 177.43 176.75 3i9j h VAL 10 N 0.76 1.39 -0.10 2.81 2.07 -0.66 -0.89 116.25 121.63 3i9j h VAL 10 Ca 0.17 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.10 3i9j h VAL 10 Cb 0.26 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3i9j h VAL 10 CO -0.00 0.47 -0.08 0.15 0.02 0.00 0.00 177.57 178.13 3i9j h PHE 11 N -0.07 -0.19 -0.29 1.57 3.04 -0.65 0.01 116.94 120.36 3i9j h PHE 11 Ca -0.01 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 3i9j h PHE 11 Cb 0.90 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 3i9j h PHE 11 CO 0.11 -0.12 -0.37 -0.07 -2.02 0.00 0.00 178.31 175.84 3i9j h LEU 12 N -0.09 0.84 -0.69 0.59 3.38 -0.66 0.02 115.31 118.68 3i9j h LEU 12 Ca 0.07 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3i9j h LEU 12 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3i9j h LEU 12 CO -0.16 1.17 0.39 1.23 0.09 0.00 0.00 178.44 181.16 3i9j h GLY 13 N 0.53 1.03 1.09 0.83 0.00 -1.11 -0.69 103.07 104.74 3i9j h GLY 13 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3i9j h GLY 13 CO 0.09 0.44 -0.08 3.21 0.00 0.00 0.00 176.54 180.20 3i9j h ARG 14 N 0.95 1.03 -0.82 4.80 3.08 -0.84 -2.47 114.38 120.11 3i9j h ARG 14 Ca 0.25 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3i9j h ARG 14 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3i9j h ARG 14 CO -0.04 1.06 0.42 0.00 -1.07 0.00 0.00 179.97 180.34 3i9j h LYS 16 N 1.16 -0.01 -0.58 0.00 1.63 -1.08 0.28 116.57 117.96 3i9j h LYS 16 Ca 0.29 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.20 3i9j h LYS 16 Cb 0.08 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.62 3i9j h LYS 16 CO -0.04 0.57 0.01 0.22 -3.45 0.00 0.00 179.45 176.76 3i9j h ASP 17 N -0.61 -0.23 0.07 4.20 3.58 -1.47 -0.44 116.42 121.51 3i9j h ASP 17 Ca -0.00 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3i9j h ASP 17 Cb 0.59 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.89 3i9j h ASP 17 CO 0.00 -0.09 -0.03 0.22 -2.88 0.00 0.00 179.24 176.46 3i9j h TYR 18 N 0.13 -0.09 -0.76 0.28 5.03 -1.25 -0.24 116.97 120.08 3i9j h TYR 18 Ca 0.30 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.74 3i9j h TYR 18 Cb 0.47 0.03 -0.14 0.00 1.55 0.00 0.00 36.73 38.65 3i9j h TYR 18 CO -0.34 0.11 -0.30 1.49 -1.32 0.00 0.00 178.16 177.80 3i9j h GLU 19 N -0.27 -0.07 0.00 1.82 4.81 -0.64 -2.22 114.58 118.01 3i9j h GLU 19 Ca -0.01 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 3i9j h GLU 19 Cb 0.24 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3i9j h GLU 19 CO 0.02 -0.04 -1.57 0.82 -0.73 0.00 0.00 179.01 177.50 3i9j h ILE 20 N -0.07 0.89 0.00 2.32 1.08 -0.91 -3.43 117.51 117.39 3i9j h ILE 20 Ca 0.31 -2.68 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 3i9j h ILE 20 Cb 0.58 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3i9j h ILE 20 CO -0.80 0.51 -0.14 0.35 -0.69 0.00 0.00 178.15 177.37 3i9j n THR 21 N -3.06 0.00 -4.15 -0.27 -2.24 -0.12 -5.03 114.28 99.41 3i9j n THR 21 Ca -0.14 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 3i9j n THR 21 Cb 1.00 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 3i9j n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9j s ARG 22 N -0.57 3.43 -1.96 -0.78 1.81 -0.85 -4.58 118.95 115.45 3i9j s ARG 22 Ca 0.00 -0.33 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 3i9j s ARG 22 Cb 0.00 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 3i9j s ARG 22 CO 0.00 0.56 0.00 0.66 -0.68 0.00 0.00 175.30 175.84 3i9j n TYR 23 N 2.61 -0.62 0.06 -0.53 4.02 -1.26 -4.83 117.16 116.61 3i9j n TYR 23 Ca -0.18 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.72 3i9j n TYR 23 Cb 0.53 -3.80 0.35 0.00 -0.02 0.00 0.00 39.34 36.40 3i9j n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i9j h LEU 24 N 0.00 0.35 -0.49 7.72 3.38 -1.81 0.26 115.31 124.72 3i9j h LEU 24 Ca -0.47 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3i9j h LEU 24 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3i9j h LEU 24 CO 0.60 0.47 -0.15 -0.90 0.09 0.00 0.00 178.44 178.55 3i9j n ASP 25 N -4.27 0.92 -0.02 -0.43 5.75 -1.26 -4.52 116.55 112.71 3i9j n ASP 25 Ca 0.00 -0.92 -0.03 0.00 -0.01 0.00 0.00 54.79 53.84 3i9j n ASP 25 Cb 0.26 0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 3i9j n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i9j n ILE 26 N -0.59 0.32 -3.97 2.12 5.41 0.79 -5.03 119.36 118.41 3i9j n ILE 26 Ca 0.15 -0.18 -0.10 0.00 1.00 0.00 0.00 62.75 63.62 3i9j n ILE 26 Cb 0.32 -0.83 -0.12 0.00 -0.71 0.00 0.00 39.64 38.30 3i9j n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9j s LEU 27 N -4.60 2.20 0.59 1.39 1.43 -0.46 -4.72 118.68 114.50 3i9j s LEU 27 Ca -0.04 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 3i9j s LEU 27 Cb 0.02 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 3i9j s LEU 27 CO 0.17 -0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.41 3i9j s PRO 28 N -1.24 3.34 0.36 1.29 0.04 -1.26 -4.56 135.00 132.97 3i9j s PRO 28 Ca -0.13 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 3i9j s PRO 28 Cb -0.08 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3i9j s PRO 28 CO -0.01 -0.80 1.10 1.03 0.04 0.00 0.00 177.00 178.37 3i9j s ARG 29 N -4.03 4.29 0.51 4.56 1.81 -1.26 -4.95 118.95 119.88 3i9j s ARG 29 Ca 0.64 1.71 -0.17 0.00 -1.72 0.00 0.00 55.73 56.19 3i9j s ARG 29 Cb -0.16 -2.80 -0.08 0.00 -0.45 0.00 0.00 34.95 31.46 3i9j s ARG 29 CO 0.36 -0.08 0.99 0.14 -0.68 0.00 0.00 175.30 176.03 3i9j s VAL 30 N -1.41 4.44 0.13 3.52 -7.23 -1.26 -4.98 120.40 113.60 3i9j s VAL 30 Ca 0.53 1.21 0.22 0.00 -1.81 0.00 0.00 61.98 62.12 3i9j s VAL 30 Cb -0.28 -3.67 0.19 0.00 0.56 0.00 0.00 36.38 33.17 3i9j s VAL 30 CO 0.36 -0.63 1.77 0.03 -0.31 0.00 0.00 175.10 176.32 3i9j h ARG 31 N 0.97 0.00 -5.97 4.82 3.08 -1.94 -3.45 114.38 111.88 3i9j h ARG 31 Ca -0.47 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.00 3i9j h ARG 31 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 3i9j h ARG 31 CO 0.61 0.29 -0.09 0.45 -1.07 0.00 0.00 179.97 180.16 3i9j s SER 32 N -6.30 6.86 0.88 7.04 0.15 -1.26 -5.06 113.70 116.01 3i9j s SER 32 Ca 0.01 1.02 -0.12 0.00 0.70 0.00 0.00 55.95 57.56 3i9j s SER 32 Cb 0.10 -2.32 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 3i9j s SER 32 CO 0.66 0.12 1.11 1.51 1.20 0.00 0.00 173.24 177.84 3i9j s ASP 33 N -0.16 3.69 0.15 5.45 1.47 -1.26 -4.78 116.67 121.23 3i9j s ASP 33 Ca 0.28 1.20 -0.16 0.00 1.18 0.00 0.00 52.55 55.05 3i9j s ASP 33 Cb -0.17 -1.86 0.02 0.00 -0.34 0.00 0.00 42.92 40.57 3i9j s ASP 33 CO 0.14 -2.46 1.77 0.00 0.68 0.00 0.00 175.17 175.30 3i9j h SER 35 N 0.57 0.26 -0.46 0.00 4.64 -1.99 -1.02 113.55 115.55 3i9j h SER 35 Ca 0.15 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3i9j h SER 35 Cb 0.03 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3i9j h SER 35 CO -0.03 0.42 0.04 0.00 -0.87 0.00 0.00 176.83 176.39 3i9j h ALA 36 N 1.61 0.61 -0.29 5.18 0.00 -1.80 -2.05 119.26 122.52 3i9j h ALA 36 Ca 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3i9j h ALA 36 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i9j h ALA 36 CO 0.02 0.37 0.05 -0.07 0.00 0.00 0.00 179.25 179.62 3i9j h LEU 37 N 0.64 -0.00 -0.40 0.00 3.38 -0.58 -2.78 115.31 115.56 3i9j h LEU 37 Ca 0.13 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3i9j h LEU 37 Cb 0.44 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3i9j h LEU 37 CO 0.02 0.03 0.12 -0.25 0.09 0.00 0.00 178.44 178.45 3i9j h TRP 38 N 0.15 0.22 -0.65 1.13 2.91 -1.08 -1.77 115.95 116.86 3i9j h TRP 38 Ca 0.13 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.30 3i9j h TRP 38 Cb 0.15 -0.04 -0.12 0.00 -0.51 0.00 0.00 29.16 28.63 3i9j h TRP 38 CO -0.17 0.07 -0.26 0.87 -1.03 0.00 0.00 178.44 177.92 3i9j h LYS 39 N 0.27 -0.08 -0.14 2.65 1.79 -1.19 0.98 116.57 120.86 3i9j h LYS 39 Ca 0.19 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.50 3i9j h LYS 39 Cb 0.18 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3i9j h LYS 39 CO -0.20 -0.05 -0.60 -0.44 -1.08 0.00 0.00 179.45 177.07 3i9j h ASP 40 N -0.08 0.52 0.52 0.86 3.32 -1.14 -2.01 116.42 118.41 3i9j h ASP 40 Ca 0.28 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3i9j h ASP 40 Cb 0.54 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.94 3i9j h ASP 40 CO -0.71 1.00 -0.25 0.15 -1.72 0.00 0.00 179.24 177.71 3i9j h PHE 41 N 0.35 -0.65 -0.91 4.55 3.57 -0.94 -3.24 116.94 119.67 3i9j h PHE 41 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3i9j h PHE 41 Cb 1.14 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 3i9j h PHE 41 CO 0.04 -0.32 0.56 0.35 -2.23 0.00 0.00 178.31 176.71 3i9j h PHE 42 N -1.00 1.18 0.00 0.41 3.57 -0.74 -1.90 116.94 118.47 3i9j h PHE 42 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3i9j h PHE 42 Cb 0.62 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3i9j h PHE 42 CO 0.01 0.78 0.00 1.57 -2.23 0.00 0.00 178.31 178.43 3i9j h LYS 43 N 1.25 0.00 -0.29 1.11 2.10 -1.44 -1.08 116.57 118.23 3i9j h LYS 43 Ca 0.33 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 3i9j h LYS 43 Cb -0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 3i9j h LYS 43 CO -0.06 0.00 0.05 0.00 -2.00 0.00 0.00 179.45 177.44 3i9j h ALA 44 N 2.03 0.38 0.00 0.07 0.00 -1.37 -3.37 119.26 117.01 3i9j h ALA 44 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3i9j h ALA 44 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i9j h ALA 44 CO 0.00 0.06 -1.40 1.97 0.00 0.00 0.00 179.25 179.88 3i9j n PHE 45 N -4.66 0.00 -1.78 0.00 -1.74 -1.14 -4.83 117.46 103.31 3i9j n PHE 45 Ca -0.03 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.45 3i9j n PHE 45 Cb 0.20 -0.21 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 3i9j n PHE 45 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 3i9j n SER 46 N -1.83 3.85 -2.15 5.98 3.41 -0.42 -3.32 113.62 119.14 3i9j n SER 46 Ca -0.02 1.23 -0.15 0.00 -0.26 0.00 0.00 58.87 59.67 3i9j n SER 46 Cb 0.26 -1.63 0.03 0.00 -0.26 0.00 0.00 64.21 62.61 3i9j n SER 46 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i9j n PHE 47 N 0.43 -1.41 -3.97 7.33 3.72 -0.09 -4.93 117.46 118.54 3i9j n PHE 47 Ca 0.01 0.41 -0.08 0.00 -0.05 0.00 0.00 57.45 57.74 3i9j n PHE 47 Cb 0.39 -3.38 -0.09 0.00 -0.94 0.00 0.00 39.48 35.46 3i9j n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i9j s LYS 48 N -5.41 0.72 0.67 -1.08 1.02 -1.18 -4.65 119.74 109.83 3i9j s LYS 48 Ca 0.24 -1.05 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 3i9j s LYS 48 Cb -0.10 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 3i9j s LYS 48 CO 0.29 -0.19 1.14 -0.80 -0.92 0.00 0.00 175.35 174.88 3i9j s ASN 49 N -2.82 4.90 0.38 2.83 0.01 -1.26 -1.04 114.94 117.95 3i9j s ASN 49 Ca 0.05 2.14 0.07 0.00 -0.71 0.00 0.00 52.86 54.41 3i9j s ASN 49 Cb 0.06 -2.57 0.80 0.00 0.41 0.00 0.00 41.25 39.95 3i9j s ASN 49 CO -0.10 -1.78 1.96 -0.65 -1.51 0.00 0.00 177.10 175.03 3i9j h PRO 50 N 0.08 0.66 -0.60 -0.60 0.11 -1.94 -0.70 132.00 129.01 3i9j h PRO 50 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i9j h PRO 50 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i9j h PRO 50 CO 0.53 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 3i9j n ASP 52 N 1.00 6.43 -4.08 0.00 2.03 -0.27 -4.80 116.55 116.86 3i9j n ASP 52 Ca 0.20 -3.40 -0.07 0.00 0.52 0.00 0.00 54.79 52.03 3i9j n ASP 52 Cb 0.61 -1.29 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 3i9j n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i9j s LEU 53 N -2.59 2.37 0.00 -2.67 1.43 -1.26 -4.76 118.68 111.20 3i9j s LEU 53 Ca 0.34 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3i9j s LEU 53 Cb 0.08 0.25 -0.00 0.00 0.03 0.00 0.00 46.19 46.56 3i9j s LEU 53 CO 0.05 -0.62 0.13 -0.90 0.23 0.00 0.00 176.35 175.24 3i9j n ASP 54 N 0.08 -0.36 0.16 2.29 3.85 -1.26 -3.59 116.55 117.73 3i9j n ASP 54 Ca -0.13 -1.63 0.13 0.00 -0.71 0.00 0.00 54.79 52.45 3i9j n ASP 54 Cb 0.61 0.71 0.67 0.00 -1.35 0.00 0.00 41.12 41.75 3i9j n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 3i9j h LEU 55 N 0.00 0.00 -0.57 -2.12 -0.00 -1.86 -2.43 115.31 108.33 3i9j h LEU 55 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 3i9j h LEU 55 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 3i9j h LEU 55 CO 0.11 0.00 -0.17 0.61 -0.00 0.00 0.00 178.44 179.00 3i9j n GLY 56 N -1.58 -0.50 0.22 0.83 0.00 -1.26 -4.42 105.19 98.48 3i9j n GLY 56 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 3i9j n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i9j h SER 57 N 1.39 0.33 -0.17 1.61 0.02 -1.79 -2.76 113.55 112.18 3i9j h SER 57 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3i9j h SER 57 Cb 0.48 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3i9j h SER 57 CO 0.00 0.22 0.00 -1.22 -1.14 0.00 0.00 176.83 174.69 3i9j n TYR 58 N -4.92 0.22 -0.29 3.45 4.01 -1.26 -4.47 117.16 113.90 3i9j n TYR 58 Ca 0.07 -0.11 0.12 0.00 -0.16 0.00 0.00 57.90 57.81 3i9j n TYR 58 Cb 0.19 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.50 3i9j n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9j h LYS 59 N 2.31 0.22 -0.32 -0.72 3.64 -1.74 -2.03 116.57 117.94 3i9j h LYS 59 Ca 0.00 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 3i9j h LYS 59 Cb 0.51 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3i9j h LYS 59 CO 0.00 0.15 -0.45 -0.44 -2.27 0.00 0.00 179.45 176.44 3i9j h ASP 60 N 0.23 0.90 0.25 4.20 5.19 -1.84 -1.64 116.42 123.72 3i9j h ASP 60 Ca 0.53 -0.44 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3i9j h ASP 60 Cb 1.04 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 3i9j h ASP 60 CO -0.63 1.21 -0.34 0.15 -3.12 0.00 0.00 179.24 176.52 3i9j h PHE 61 N 0.67 -0.91 -0.63 4.55 3.57 -1.66 -1.71 116.94 120.82 3i9j h PHE 61 Ca 0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3i9j h PHE 61 Cb 1.03 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 3i9j h PHE 61 CO 0.06 -0.46 0.24 0.74 -2.23 0.00 0.00 178.31 176.66 3i9j h PHE 62 N -0.64 0.98 -0.67 0.41 0.04 -1.33 -0.45 116.94 115.26 3i9j h PHE 62 Ca -0.00 -0.08 0.13 0.00 2.80 0.00 0.00 57.97 60.82 3i9j h PHE 62 Cb 0.62 -0.29 -0.13 0.00 2.20 0.00 0.00 35.95 38.35 3i9j h PHE 62 CO -0.24 0.78 -0.25 1.15 -0.60 0.00 0.00 178.31 179.15 3i9j h THR 63 N 0.89 0.23 -0.61 -1.55 2.02 -1.28 -1.90 112.91 110.71 3i9j h THR 63 Ca 0.21 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 3i9j h THR 63 Cb 0.23 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3i9j h THR 63 CO -0.01 0.00 0.13 0.28 0.37 0.00 0.00 175.52 176.28 3i9j h SER 64 N -0.07 0.92 -0.03 4.18 0.02 -0.65 -3.26 113.55 114.67 3i9j h SER 64 Ca 0.30 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3i9j h SER 64 Cb 0.54 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3i9j h SER 64 CO -0.72 0.90 0.00 0.00 -1.14 0.00 0.00 176.83 175.87 3i9j n ALA 65 N -2.46 2.55 -2.29 3.77 0.00 -0.24 -4.60 120.51 117.25 3i9j n ALA 65 Ca 0.04 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 3i9j n ALA 65 Cb 0.26 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 3i9j n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9j s GLN 66 N -1.99 4.65 -0.05 0.00 2.00 -0.75 -4.54 119.66 118.98 3i9j s GLN 66 Ca 0.36 1.51 -0.01 0.00 -2.00 0.00 0.00 55.36 55.23 3i9j s GLN 66 Cb 0.21 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 3i9j s GLN 66 CO 0.33 0.13 0.03 -0.65 -0.50 0.00 0.00 175.29 174.63 3i9j s GLN 67 N 0.11 2.97 0.51 1.67 -0.21 -1.26 -4.94 119.66 118.52 3i9j s GLN 67 Ca 0.49 -0.47 -0.23 0.00 0.02 0.00 0.00 55.36 55.17 3i9j s GLN 67 Cb -0.24 -2.80 -0.06 0.00 1.00 0.00 0.00 33.01 30.90 3i9j s GLN 67 CO 0.30 0.67 1.30 1.04 -2.12 0.00 0.00 175.29 176.49 3i9j n GLN 68 N 1.70 1.71 -4.79 2.91 6.02 -1.26 -5.00 117.38 118.67 3i9j n GLN 68 Ca -0.16 0.62 -0.31 0.00 -0.01 0.00 0.00 57.00 57.14 3i9j n GLN 68 Cb 0.53 -2.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.17 3i9j n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i9j s LEU 69 N -2.79 2.55 0.22 1.08 1.43 -1.26 -4.59 118.68 115.33 3i9j s LEU 69 Ca 0.69 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 3i9j s LEU 69 Cb -0.44 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 3i9j s LEU 69 CO 0.52 0.28 1.15 -2.16 0.23 0.00 0.00 176.35 176.37 3i9j s PRO 70 N -1.19 4.56 0.42 1.29 0.04 -1.26 -4.66 135.00 134.21 3i9j s PRO 70 Ca 0.13 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 3i9j s PRO 70 Cb -0.10 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.10 3i9j s PRO 70 CO 0.03 0.05 0.81 1.63 0.04 0.00 0.00 177.00 179.57 3i9j n LYS 71 N 1.92 0.98 -0.61 4.56 5.02 -1.26 -2.48 118.16 126.29 3i9j n LYS 71 Ca 0.02 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3i9j n LYS 71 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3i9j n LYS 71 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i9j n ASN 72 N 0.77 -0.87 -0.38 4.39 3.02 -0.34 -4.83 115.26 117.02 3i9j n ASN 72 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 3i9j n ASN 72 Cb 0.39 -2.45 0.02 0.00 -0.61 0.00 0.00 39.78 37.14 3i9j n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i9j n LYS 73 N -1.59 1.34 -2.24 3.52 5.02 -1.04 -4.73 118.16 118.45 3i9j n LYS 73 Ca 0.00 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 54.93 3i9j n LYS 73 Cb 0.07 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3i9j n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9j s VAL 74 N -1.26 3.52 -0.01 -0.18 1.01 -1.26 -0.58 120.40 121.64 3i9j s VAL 74 Ca 0.12 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3i9j s VAL 74 Cb 0.10 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3i9j s VAL 74 CO 0.22 0.08 -0.21 -0.32 0.00 0.00 0.00 175.10 174.87 3i9j s MET 75 N 1.20 1.70 0.27 2.72 0.00 -0.53 -1.58 119.30 123.08 3i9j s MET 75 Ca 0.63 -0.78 0.09 0.00 0.00 0.00 0.00 55.69 55.63 3i9j s MET 75 Cb -0.35 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 32.78 3i9j s MET 75 CO 0.30 0.45 0.04 -0.06 0.00 0.00 0.00 175.02 175.74 3i9j s PHE 76 N -0.53 2.75 -0.11 4.11 0.08 0.18 -4.53 117.98 119.93 3i9j s PHE 76 Ca 0.08 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 3i9j s PHE 76 Cb -0.08 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3i9j s PHE 76 CO -0.01 0.58 0.32 1.67 -0.10 0.00 0.00 175.22 177.69 3i9j s TRP 77 N -2.31 -0.33 -0.08 0.36 1.48 -1.26 -1.09 118.94 115.71 3i9j s TRP 77 Ca 0.32 0.80 -0.01 0.00 -1.06 0.00 0.00 56.10 56.15 3i9j s TRP 77 Cb -0.06 0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.39 3i9j s TRP 77 CO 0.21 -0.20 -0.02 -1.12 -4.06 0.00 0.00 176.95 171.76 3i9j s SER 78 N -0.01 1.63 0.00 -2.66 0.01 -0.34 -4.89 113.70 107.44 3i9j s SER 78 Ca -0.02 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3i9j s SER 78 Cb -0.03 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.69 3i9j s SER 78 CO 0.01 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.10 3i9j n GLY 79 N 5.01 0.78 2.67 3.44 0.00 -1.26 -2.80 105.19 113.04 3i9j n GLY 79 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3i9j n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9j n VAL 80 N -2.06 0.72 -0.05 1.61 0.24 -1.26 -4.75 118.33 112.78 3i9j n VAL 80 Ca 0.00 -2.61 -0.10 0.00 -2.04 0.00 0.00 64.34 59.59 3i9j n VAL 80 Cb 0.00 0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 3i9j n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3i9j h TYR 81 N 2.71 -1.06 0.62 6.34 5.03 -1.94 -0.99 116.97 127.68 3i9j h TYR 81 Ca -0.15 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 3i9j h TYR 81 Cb 1.22 0.50 0.01 0.00 1.55 0.00 0.00 36.73 40.00 3i9j h TYR 81 CO 0.39 -0.43 -0.30 -0.44 -1.32 0.00 0.00 178.16 176.07 3i9j h ASP 82 N -0.38 -0.71 -0.33 -2.11 3.32 -1.99 -2.00 116.42 112.22 3i9j h ASP 82 Ca 0.12 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.23 3i9j h ASP 82 Cb 0.58 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 3i9j h ASP 82 CO -0.45 -0.46 -0.07 -0.33 -1.72 0.00 0.00 179.24 176.21 3i9j h GLU 83 N -0.91 0.01 -0.51 3.56 3.07 -1.96 0.66 114.58 118.52 3i9j h GLU 83 Ca -0.09 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3i9j h GLU 83 Cb 0.67 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.53 3i9j h GLU 83 CO 0.14 0.01 0.28 0.00 -1.40 0.00 0.00 179.01 178.04 3i9j h ALA 84 N 1.33 0.65 -0.28 3.43 0.00 -1.22 -1.82 119.26 121.35 3i9j h ALA 84 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3i9j h ALA 84 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i9j h ALA 84 CO -0.33 -0.04 -0.36 0.45 0.00 0.00 0.00 179.25 178.97 3i9j h HIS 85 N 0.56 0.75 -0.16 0.00 3.86 -1.01 0.84 115.15 119.99 3i9j h HIS 85 Ca 0.21 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i9j h HIS 85 Cb 0.07 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3i9j h HIS 85 CO -0.08 0.91 0.08 -0.44 0.86 0.00 0.00 177.93 179.26 3i9j h ASP 86 N 0.53 0.20 -0.48 2.45 3.32 -0.69 -2.04 116.42 119.71 3i9j h ASP 86 Ca 0.05 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3i9j h ASP 86 Cb 0.87 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3i9j h ASP 86 CO 0.07 0.25 -0.04 0.22 -1.72 0.00 0.00 179.24 178.02 3i9j h TYR 87 N 0.14 0.97 0.00 4.55 3.20 -1.25 -2.65 116.97 121.93 3i9j h TYR 87 Ca 0.05 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3i9j h TYR 87 Cb 0.09 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 3i9j h TYR 87 CO -0.03 0.93 -0.03 0.00 -1.64 0.00 0.00 178.16 177.38 3i9j h ALA 88 N 0.91 1.57 -4.94 1.82 0.00 -0.74 -3.44 119.26 114.44 3i9j h ALA 88 Ca 0.13 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 3i9j h ALA 88 Cb 0.57 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.49 3i9j h ALA 88 CO 0.03 0.04 -0.62 -1.71 0.00 0.00 0.00 179.25 177.00 3i9j n ASN 89 N -3.96 -2.06 -3.95 0.00 4.05 -0.77 -1.64 115.26 106.93 3i9j n ASN 89 Ca -0.03 -0.50 -0.27 0.00 0.45 0.00 0.00 54.58 54.23 3i9j n ASN 89 Cb 0.12 -4.23 -0.01 0.00 1.23 0.00 0.00 39.78 36.89 3i9j n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3i9j n THR 90 N -3.52 -2.85 0.00 -0.44 -1.04 -1.26 -0.94 114.28 104.23 3i9j n THR 90 Ca -0.23 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 3i9j n THR 90 Cb 0.64 -2.69 0.00 0.00 -1.82 0.00 0.00 70.33 66.46 3i9j n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9j n GLY 91 N -1.81 2.06 0.18 3.41 0.00 -1.20 -4.89 105.19 102.95 3i9j n GLY 91 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3i9j n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i9j h ARG 92 N 2.61 0.00 0.00 1.61 3.08 -1.03 -3.39 114.38 117.26 3i9j h ARG 92 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3i9j h ARG 92 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i9j h ARG 92 CO 0.00 0.27 -1.30 1.17 -1.07 0.00 0.00 179.97 179.04 3i9j n LYS 93 N -3.19 0.11 -4.14 0.04 4.81 -0.65 -5.04 118.16 110.10 3i9j n LYS 93 Ca 0.03 0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 3i9j n LYS 93 Cb 0.62 -0.70 -0.11 0.00 0.02 0.00 0.00 35.03 34.86 3i9j n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9j s TYR 94 N -2.10 0.92 -0.05 5.64 2.02 -1.02 -4.93 117.35 117.81 3i9j s TYR 94 Ca -0.08 -0.67 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 3i9j s TYR 94 Cb 0.03 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 3i9j s TYR 94 CO 0.10 -0.06 0.18 0.42 -1.57 0.00 0.00 175.55 174.61 3i9j s ILE 95 N -2.40 5.45 0.39 2.71 -1.09 0.25 -3.21 121.20 123.29 3i9j s ILE 95 Ca 0.02 0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.55 3i9j s ILE 95 Cb -0.03 -3.49 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 3i9j s ILE 95 CO -0.01 0.45 0.01 0.42 -1.23 0.00 0.00 174.94 174.58 3i9j s THR 96 N -1.20 1.87 0.39 2.92 -4.23 -1.26 -1.45 115.64 112.68 3i9j s THR 96 Ca 0.22 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 3i9j s THR 96 Cb -0.12 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.08 3i9j s THR 96 CO 0.12 -0.03 2.00 0.25 -0.54 0.00 0.00 174.62 176.43 3i9j h LEU 97 N 1.86 0.55 0.00 4.79 5.85 -1.98 -2.47 115.31 123.92 3i9j h LEU 97 Ca -0.43 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3i9j h LEU 97 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3i9j h LEU 97 CO 0.78 0.37 0.00 -0.62 -0.34 0.00 0.00 178.44 178.63 3i9j n GLU 98 N -4.47 0.09 0.03 1.25 4.71 -1.26 -1.70 120.64 119.29 3i9j n GLU 98 Ca 0.08 0.24 0.11 0.00 -0.01 0.00 0.00 57.16 57.58 3i9j n GLU 98 Cb 0.18 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 3i9j n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9j n ASP 99 N -1.35 0.54 -4.90 1.62 8.00 -0.93 -3.39 116.55 116.14 3i9j n ASP 99 Ca 0.04 -0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 3i9j n ASP 99 Cb 0.08 1.01 0.03 0.00 -0.02 0.00 0.00 41.12 42.22 3i9j n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i9j s THR 100 N -3.29 3.97 0.10 -3.53 -4.23 -0.69 -4.83 115.64 103.14 3i9j s THR 100 Ca 0.00 0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 60.55 3i9j s THR 100 Cb 0.13 -3.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.29 3i9j s THR 100 CO 0.83 -0.67 1.68 0.25 -0.54 0.00 0.00 174.62 176.17 3i9j h LEU 101 N -0.25 -0.41 -0.90 4.79 5.85 -1.86 0.20 115.31 122.73 3i9j h LEU 101 Ca -0.45 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 3i9j h LEU 101 Cb 1.24 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3i9j h LEU 101 CO 0.62 -0.22 -0.32 1.55 -0.34 0.00 0.00 178.44 179.73 3i9j h PRO 102 N -0.29 0.43 -0.17 5.25 0.13 -1.89 -0.19 132.00 135.26 3i9j h PRO 102 Ca 0.02 -0.18 -0.20 0.00 -0.87 0.00 0.00 66.00 64.77 3i9j h PRO 102 Cb 0.31 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.43 3i9j h PRO 102 CO -0.08 0.70 -0.69 0.78 -0.23 0.00 0.00 178.00 178.48 3i9j h GLY 103 N 1.07 0.76 1.02 1.56 0.00 -1.66 -2.84 103.07 102.99 3i9j h GLY 103 Ca 0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.34 3i9j h GLY 103 CO 0.06 0.90 0.35 -1.82 0.00 0.00 0.00 176.54 176.03 3i9j h TYR 104 N 0.49 1.11 -0.16 5.60 5.03 -0.38 -0.98 116.97 127.68 3i9j h TYR 104 Ca -0.02 -0.06 -0.16 0.00 2.58 0.00 0.00 58.73 61.07 3i9j h TYR 104 Cb 1.29 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 3i9j h TYR 104 CO 0.07 0.82 -0.56 0.52 -1.32 0.00 0.00 178.16 177.68 3i9j h MET 105 N 1.07 0.49 -0.01 1.82 0.00 -0.97 -3.34 114.93 114.00 3i9j h MET 105 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 59.70 59.65 3i9j h MET 105 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 31.60 31.78 3i9j h MET 105 CO -0.03 0.92 -0.48 1.28 0.00 0.00 0.00 176.91 178.60 3i9j n LEU 106 N -3.94 1.27 -4.63 1.22 7.99 -1.08 -4.80 117.00 113.03 3i9j n LEU 106 Ca -0.03 -0.66 -0.46 0.00 -0.01 0.00 0.00 56.01 54.84 3i9j n LEU 106 Cb 0.61 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.89 3i9j n LEU 106 CO 0.46 0.26 0.87 -3.20 -1.51 0.00 0.00 177.39 174.28 3i9j n ASN 107 N -0.60 2.15 0.00 -1.43 5.15 -0.38 -0.79 115.26 119.38 3i9j n ASN 107 Ca 0.05 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 3i9j n ASN 107 Cb 0.30 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 3i9j n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i9j n SER 108 N 1.98 0.00 -4.86 1.20 7.64 -1.26 -4.99 113.62 113.33 3i9j n SER 108 Ca 0.12 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.69 3i9j n SER 108 Cb 0.29 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 3i9j n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9j s LEU 109 N 0.00 3.24 -0.07 -3.43 1.43 0.03 -5.05 118.68 114.83 3i9j s LEU 109 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3i9j s LEU 109 Cb 0.00 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 41.77 3i9j s LEU 109 CO 0.00 -0.91 -0.04 -0.69 0.23 0.00 0.00 176.35 174.93 3i9j s VAL 110 N -3.13 0.64 0.10 -1.59 1.01 -1.26 -5.00 120.40 111.17 3i9j s VAL 110 Ca 0.56 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 3i9j s VAL 110 Cb -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3i9j s VAL 110 CO 0.53 0.28 0.27 -1.66 0.00 0.00 0.00 175.10 174.52 3i9j s TRP 111 N 1.39 0.01 0.09 5.22 -2.14 -1.26 0.41 118.94 122.66 3i9j s TRP 111 Ca -0.03 -0.40 -0.26 0.00 2.66 0.00 0.00 56.10 58.07 3i9j s TRP 111 Cb -0.13 0.06 0.07 0.00 -3.10 0.00 0.00 33.47 30.37 3i9j s TRP 111 CO -0.03 -0.60 0.64 0.00 -2.66 0.00 0.00 176.95 174.30 3i9j s GLY 113 N -2.26 1.68 -0.00 0.00 0.00 -1.26 -1.35 107.32 104.14 3i9j s GLY 113 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 3i9j s GLY 113 CO -0.06 -0.40 0.67 -0.86 0.00 0.00 0.00 173.10 172.45 3i9j s GLN 114 N -5.55 1.10 0.24 2.90 -2.07 -0.20 -3.75 119.66 112.33 3i9j s GLN 114 Ca 0.65 0.08 0.01 0.00 -1.82 0.00 0.00 55.36 54.28 3i9j s GLN 114 Cb -0.08 0.52 0.27 0.00 -1.09 0.00 0.00 33.01 32.62 3i9j s GLN 114 CO 0.49 -0.38 1.61 0.00 -1.32 0.00 0.00 175.29 175.68 3i9j h ARG 115 N 2.75 0.45 -7.29 9.60 3.08 -1.82 -2.99 114.38 118.16 3i9j h ARG 115 Ca -0.29 -0.24 -0.49 0.00 0.07 0.00 0.00 59.98 59.04 3i9j h ARG 115 Cb 1.18 0.01 0.06 0.00 0.08 0.00 0.00 29.97 31.30 3i9j h ARG 115 CO 0.39 0.80 0.32 0.00 -1.07 0.00 0.00 179.97 180.41 3i9j s ALA 116 N -4.16 3.11 0.49 0.04 0.00 -1.26 -4.71 121.76 115.27 3i9j s ALA 116 Ca -0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3i9j s ALA 116 Cb 0.12 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.30 3i9j s ALA 116 CO 0.81 -0.86 1.31 -1.71 0.00 0.00 0.00 175.76 175.31 3i9j n ASN 117 N -2.75 2.60 0.00 0.00 2.85 -1.26 -0.10 115.26 116.59 3i9j n ASN 117 Ca 0.05 1.04 0.04 0.00 -0.11 0.00 0.00 54.58 55.60 3i9j n ASN 117 Cb 0.56 -1.54 0.21 0.00 1.24 0.00 0.00 39.78 40.26 3i9j n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i9j n PRO 118 N -0.47 0.78 -0.10 1.20 -0.04 -1.26 -4.88 135.00 130.24 3i9j n PRO 118 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3i9j n PRO 118 Cb 0.42 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3i9j n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9j n GLY 119 N 0.36 1.01 3.12 0.55 0.00 0.86 -4.86 105.19 106.23 3i9j n GLY 119 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3i9j n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9j s PHE 120 N -2.48 0.32 -0.28 1.61 -0.71 -1.26 -0.91 117.98 114.26 3i9j s PHE 120 Ca 0.00 -0.75 -0.11 0.00 -1.04 0.00 0.00 56.93 55.04 3i9j s PHE 120 Cb 0.00 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3i9j s PHE 120 CO 0.00 -0.41 0.18 1.21 -1.34 0.00 0.00 175.22 174.86 3i9j s ASN 121 N -2.60 5.87 0.00 1.98 3.84 -0.45 -4.71 114.94 118.88 3i9j s ASN 121 Ca 0.02 -0.10 0.25 0.00 0.21 0.00 0.00 52.86 53.23 3i9j s ASN 121 Cb 0.04 -2.09 0.38 0.00 -0.55 0.00 0.00 41.25 39.03 3i9j s ASN 121 CO -0.08 -0.07 1.35 -0.62 -2.79 0.00 0.00 177.10 174.88 3i9j n GLU 122 N 5.04 1.71 -0.13 0.43 1.02 -1.26 -4.49 120.64 122.97 3i9j n GLU 122 Ca -0.14 -1.31 -0.26 0.00 -0.02 0.00 0.00 57.16 55.43 3i9j n GLU 122 Cb 0.52 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 3i9j n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9j n LYS 123 N 0.50 0.61 -3.61 3.49 4.76 -1.26 -4.58 118.16 118.06 3i9j n LYS 123 Ca 0.13 0.27 -0.15 0.00 -2.87 0.00 0.00 58.31 55.70 3i9j n LYS 123 Cb 0.48 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 32.08 3i9j n LYS 123 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9j s VAL 124 N -2.50 0.03 -0.30 -0.18 0.11 -1.26 -4.48 120.40 111.82 3i9j s VAL 124 Ca -0.36 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 3i9j s VAL 124 Cb 0.12 -0.90 0.10 0.00 -1.53 0.00 0.00 36.38 34.17 3i9j s VAL 124 CO 0.54 -0.15 0.10 0.00 -3.33 0.00 0.00 175.10 172.26 3i9j n PRO 126 N 4.88 0.00 -1.54 0.00 -0.02 -1.26 -4.53 135.00 132.53 3i9j n PRO 126 Ca -0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.18 3i9j n PRO 126 Cb 0.42 -0.67 -0.10 0.00 -0.02 0.00 0.00 33.50 33.14 3i9j n PRO 126 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i9j n ASP 127 N 0.79 1.15 0.22 2.55 8.00 -1.26 -4.66 116.55 123.35 3i9j n ASP 127 Ca 0.09 -0.68 0.07 0.00 0.71 0.00 0.00 54.79 54.98 3i9j n ASP 127 Cb 0.06 -1.31 0.38 0.00 -0.02 0.00 0.00 41.12 40.23 3i9j n ASP 127 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3i9j h PHE 128 N 14.70 0.00 0.00 1.24 -1.00 -1.99 1.00 116.94 130.89 3i9j h PHE 128 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3i9j h PHE 128 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 3i9j h PHE 128 CO 1.12 0.00 0.00 0.36 -1.61 0.00 0.00 178.31 178.18 3i9j n LYS 129 N -2.25 0.12 0.09 1.51 0.00 -1.26 -1.60 118.16 114.76 3i9j n LYS 129 Ca -0.01 0.20 0.13 0.00 -0.00 0.00 0.00 58.31 58.63 3i9j n LYS 129 Cb 0.46 -1.50 0.44 0.00 -0.00 0.00 0.00 35.03 34.43 3i9j n LYS 129 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i9j n THR 130 N -1.27 0.52 -4.07 0.58 -2.24 0.34 -4.92 114.28 103.22 3i9j n THR 130 Ca 0.04 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 3i9j n THR 130 Cb 0.06 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 3i9j n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9j n PRO 132 N -0.34 0.48 -0.13 0.00 -0.02 -1.26 -4.58 135.00 129.16 3i9j n PRO 132 Ca -0.08 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3i9j n PRO 132 Cb 0.55 -1.95 0.30 0.00 -0.02 0.00 0.00 33.50 32.37 3i9j n PRO 132 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i9j h VAL 133 N -0.09 1.17 0.00 -1.45 3.04 -1.97 0.31 116.25 117.25 3i9j h VAL 133 Ca -0.46 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.81 3i9j h VAL 133 Cb 1.36 0.34 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3i9j h VAL 133 CO 0.46 0.18 -0.13 0.06 -1.01 0.00 0.00 177.57 177.13 3i9j h GLN 134 N 0.82 0.00 0.02 4.17 -0.00 -1.89 -1.02 115.11 117.21 3i9j h GLN 134 Ca 0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.75 3i9j h GLN 134 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.45 3i9j h GLN 134 CO -0.04 0.13 -0.59 0.00 -0.00 0.00 0.00 178.83 178.34 3i9j h ALA 135 N 1.87 0.10 -0.37 0.06 0.00 -1.39 -2.10 119.26 117.43 3i9j h ALA 135 Ca -0.00 -0.80 0.11 0.00 0.00 0.00 0.00 54.91 54.21 3i9j h ALA 135 Cb 0.61 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3i9j h ALA 135 CO 0.02 0.33 0.33 0.07 0.00 0.00 0.00 179.25 179.99 3i9j h ARG 136 N -0.92 0.00 -0.06 0.00 0.11 -0.81 -2.64 114.38 110.07 3i9j h ARG 136 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3i9j h ARG 136 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3i9j h ARG 136 CO -0.06 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.40 3i9j n GLU 137 N -4.04 2.02 -0.12 0.08 1.02 -0.40 -4.71 120.64 114.49 3i9j n GLU 137 Ca 0.06 -1.37 -0.07 0.00 -0.02 0.00 0.00 57.16 55.77 3i9j n GLU 137 Cb 0.50 -1.06 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 3i9j n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i9j h SER 138 N 0.46 -0.96 0.20 1.62 0.87 -0.98 -0.62 113.55 114.13 3i9j h SER 138 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3i9j h SER 138 Cb 0.43 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3i9j h SER 138 CO 0.00 -0.30 -0.10 0.15 -0.53 0.00 0.00 176.83 176.05 3i9j h PHE 139 N -0.22 -0.25 0.00 2.24 3.57 -1.84 -3.14 116.94 117.29 3i9j h PHE 139 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3i9j h PHE 139 Cb 0.51 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3i9j h PHE 139 CO -0.51 -0.16 -0.24 -1.49 -2.23 0.00 0.00 178.31 173.68 3i9j h TRP 140 N -0.78 0.00 -0.33 0.41 4.06 -1.89 0.45 115.95 117.88 3i9j h TRP 140 Ca -0.03 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 3i9j h TRP 140 Cb 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 3i9j h TRP 140 CO 0.02 0.24 -0.10 0.78 -3.56 0.00 0.00 178.44 175.82 3i9j h GLY 141 N 2.26 0.71 1.38 1.49 0.00 -1.27 -1.81 103.07 105.82 3i9j h GLY 141 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3i9j h GLY 141 CO 0.03 0.54 -0.18 1.98 0.00 0.00 0.00 176.54 178.92 3i9j h MET 142 N 0.43 0.72 -0.79 4.80 1.85 -1.48 -1.81 114.93 118.66 3i9j h MET 142 Ca 0.08 -0.26 0.06 0.00 -0.61 0.00 0.00 59.70 58.96 3i9j h MET 142 Cb 0.61 -0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.53 3i9j h MET 142 CO 0.04 0.85 0.48 0.00 -0.40 0.00 0.00 176.91 177.88 3i9j h ALA 143 N 1.16 1.07 -0.14 0.39 0.00 -0.85 -2.49 119.26 118.40 3i9j h ALA 143 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3i9j h ALA 143 Cb 0.66 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3i9j h ALA 143 CO 0.05 0.21 -0.77 0.77 0.00 0.00 0.00 179.25 179.50 3i9j h SER 144 N 0.88 0.86 0.00 0.00 0.02 -1.20 -1.84 113.55 112.27 3i9j h SER 144 Ca 0.34 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3i9j h SER 144 Cb 0.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3i9j h SER 144 CO -0.17 1.35 -0.00 0.28 -1.14 0.00 0.00 176.83 177.16 3i9j h SER 145 N 0.49 -0.00 -0.36 3.07 0.02 -1.29 -0.33 113.55 115.16 3i9j h SER 145 Ca -0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3i9j h SER 145 Cb 1.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 3i9j h SER 145 CO 0.15 0.02 0.16 -1.28 -1.14 0.00 0.00 176.83 174.74 3i9j h SER 146 N -0.02 0.47 0.19 3.07 0.87 -1.44 -0.34 113.55 116.35 3i9j h SER 146 Ca -0.00 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3i9j h SER 146 Cb 0.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3i9j h SER 146 CO 0.00 0.48 -0.10 0.22 -0.53 0.00 0.00 176.83 176.90 3i9j h TYR 147 N 0.44 -0.26 -0.28 2.24 3.20 -1.31 -2.53 116.97 118.46 3i9j h TYR 147 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3i9j h TYR 147 Cb 0.13 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3i9j h TYR 147 CO -0.01 -0.16 0.16 0.00 -1.64 0.00 0.00 178.16 176.51 3i9j h ALA 148 N 0.55 0.35 -0.79 1.82 0.00 -1.01 -2.40 119.26 117.77 3i9j h ALA 148 Ca -0.02 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.06 3i9j h ALA 148 Cb 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3i9j h ALA 148 CO 0.03 -0.21 0.53 1.25 0.00 0.00 0.00 179.25 180.85 3i9j h HIS 149 N 0.34 0.38 0.00 0.00 -0.00 -0.94 -1.33 115.15 113.60 3i9j h HIS 149 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3i9j h HIS 149 Cb -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3i9j h HIS 149 CO -0.08 0.12 0.00 0.43 -0.00 0.00 0.00 177.93 178.41 3i9j n SER 150 N -4.45 0.39 -4.76 3.26 7.64 -0.92 -4.66 113.62 110.12 3i9j n SER 150 Ca 0.16 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 3i9j n SER 150 Cb 0.65 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3i9j n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9j s ALA 151 N -3.05 3.54 0.12 -0.43 0.00 -0.50 -4.35 121.76 117.09 3i9j s ALA 151 Ca 0.12 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.49 3i9j s ALA 151 Cb 0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3i9j s ALA 151 CO 0.56 -0.73 -0.19 -1.21 0.00 0.00 0.00 175.76 174.19 3i9j s GLU 152 N -1.44 1.13 4.69 0.00 2.02 -1.26 -4.39 118.70 119.45 3i9j s GLU 152 Ca 0.52 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3i9j s GLU 152 Cb -0.41 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3i9j s GLU 152 CO 0.52 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.50 3i9j n GLY 153 N 0.85 0.82 3.77 -1.39 0.00 -0.47 -1.20 105.19 107.57 3i9j n GLY 153 Ca -0.18 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 3i9j n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9j s GLU 154 N 0.00 4.52 0.15 1.61 2.02 -1.26 -1.48 118.70 124.26 3i9j s GLU 154 Ca 0.00 1.45 0.08 0.00 0.02 0.00 0.00 54.97 56.52 3i9j s GLU 154 Cb 0.00 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3i9j s GLU 154 CO 0.00 0.20 -0.17 0.14 0.02 0.00 0.00 175.26 175.45 3i9j s VAL 155 N -1.51 1.65 0.03 2.63 -7.23 -0.66 -3.55 120.40 111.75 3i9j s VAL 155 Ca 0.50 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 3i9j s VAL 155 Cb -0.22 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3i9j s VAL 155 CO 0.28 -0.33 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.67 3i9j s THR 156 N -2.03 1.36 -0.15 5.32 2.01 -0.61 -0.95 115.64 120.60 3i9j s THR 156 Ca 0.13 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 3i9j s THR 156 Cb -0.06 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 71.31 3i9j s THR 156 CO 0.05 0.17 0.05 -0.47 -0.69 0.00 0.00 174.62 173.73 3i9j s TYR 157 N -0.71 0.58 -0.22 4.92 5.04 -0.20 0.50 117.35 127.26 3i9j s TYR 157 Ca 0.05 -0.43 -0.16 0.00 -2.44 0.00 0.00 57.07 54.09 3i9j s TYR 157 Cb -0.08 -0.82 -0.04 0.00 0.35 0.00 0.00 41.96 41.38 3i9j s TYR 157 CO 0.01 -0.48 0.41 1.41 -1.34 0.00 0.00 175.55 175.56 3i9j s MET 158 N 2.00 4.14 0.12 4.97 -2.45 -0.25 -0.87 119.30 126.97 3i9j s MET 158 Ca 0.02 0.20 0.06 0.00 -1.25 0.00 0.00 55.69 54.73 3i9j s MET 158 Cb -0.15 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.33 3i9j s MET 158 CO -0.07 -0.11 -0.15 0.14 1.05 0.00 0.00 175.02 175.88 3i9j s VAL 159 N 1.52 1.42 -0.28 10.11 -7.23 -0.31 -1.20 120.40 124.44 3i9j s VAL 159 Ca 0.19 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3i9j s VAL 159 Cb -0.15 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3i9j s VAL 159 CO 0.08 -0.34 1.22 -0.62 -0.31 0.00 0.00 175.10 175.13 3i9j s ASP 160 N -2.35 6.81 -0.14 4.85 -1.08 -1.12 -0.97 116.67 122.68 3i9j s ASP 160 Ca 0.08 1.26 0.16 0.00 -0.52 0.00 0.00 52.55 53.53 3i9j s ASP 160 Cb -0.06 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.48 3i9j s ASP 160 CO 0.04 -0.95 1.53 0.61 0.52 0.00 0.00 175.17 176.92 3i9j n GLY 161 N 4.02 3.18 0.13 2.66 0.00 0.82 -4.03 105.19 111.96 3i9j n GLY 161 Ca 0.14 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.36 3i9j n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9j n SER 162 N 0.46 2.33 -4.37 1.61 7.64 -1.26 -0.54 113.62 119.51 3i9j n SER 162 Ca 0.23 -2.56 -0.44 0.00 1.01 0.00 0.00 58.87 57.11 3i9j n SER 162 Cb 0.87 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.75 3i9j n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3i9j s ASN 163 N -1.91 6.09 0.61 6.43 3.84 -1.26 -4.76 114.94 123.98 3i9j s ASN 163 Ca 0.18 -1.39 0.34 0.00 0.21 0.00 0.00 52.86 52.20 3i9j s ASN 163 Cb 0.16 -2.16 1.97 0.00 -0.55 0.00 0.00 41.25 40.66 3i9j s ASN 163 CO 0.03 -0.65 2.28 1.55 -2.79 0.00 0.00 177.10 177.51 3i9j h PRO 164 N 8.72 0.00 0.00 0.43 0.13 -1.94 -2.71 132.00 136.64 3i9j h PRO 164 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i9j h PRO 164 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i9j h PRO 164 CO 0.88 0.01 -1.22 1.63 -0.23 0.00 0.00 178.00 179.06 3i9j n LYS 165 N -3.63 0.36 -3.57 0.86 5.02 -1.26 -4.84 118.16 111.10 3i9j n LYS 165 Ca -0.03 -0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 55.97 3i9j n LYS 165 Cb 0.09 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 3i9j n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9j s VAL 166 N -3.26 -0.11 0.26 -0.18 1.01 -1.02 -5.14 120.40 111.96 3i9j s VAL 166 Ca 0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 3i9j s VAL 166 Cb 0.14 -0.73 -0.12 0.00 0.00 0.00 0.00 36.38 35.67 3i9j s VAL 166 CO 0.83 -0.44 1.59 -2.65 0.00 0.00 0.00 175.10 174.44 3i9j n PRO 167 N 5.27 2.58 -0.19 2.72 -0.02 -1.26 -4.53 135.00 139.57 3i9j n PRO 167 Ca -0.06 0.92 -0.04 0.00 -2.02 0.00 0.00 63.50 62.29 3i9j n PRO 167 Cb 0.47 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 3i9j n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9j n ALA 168 N 2.54 -0.26 -3.04 3.55 0.00 -1.26 -4.12 120.51 117.92 3i9j n ALA 168 Ca 0.11 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 3i9j n ALA 168 Cb 0.35 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 3i9j n ALA 168 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i9j s TYR 169 N -5.26 2.91 -0.03 0.00 5.04 -1.26 -4.78 117.35 113.96 3i9j s TYR 169 Ca -0.06 -0.51 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 3i9j s TYR 169 Cb 0.06 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.47 3i9j s TYR 169 CO 0.29 -0.15 -0.08 1.03 -1.34 0.00 0.00 175.55 175.30 3i9j s ARG 170 N 0.40 0.96 0.52 4.97 0.52 -1.26 -4.81 118.95 120.26 3i9j s ARG 170 Ca -0.07 -0.27 0.24 0.00 -0.52 0.00 0.00 55.73 55.11 3i9j s ARG 170 Cb -0.15 -0.90 1.44 0.00 0.52 0.00 0.00 34.95 35.86 3i9j s ARG 170 CO 0.04 0.07 2.11 -1.35 0.02 0.00 0.00 175.30 176.19 3i9j h PRO 171 N 6.54 0.00 -0.24 3.54 0.11 -1.98 -2.84 132.00 137.14 3i9j h PRO 171 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3i9j h PRO 171 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i9j h PRO 171 CO 0.48 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 3i9j n ASP 172 N -3.90 1.67 -4.85 -2.05 8.00 -1.26 -2.97 116.55 111.18 3i9j n ASP 172 Ca -0.02 -1.83 -0.30 0.00 0.71 0.00 0.00 54.79 53.35 3i9j n ASP 172 Cb 0.19 -0.16 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 3i9j n ASP 172 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i9j s SER 173 N -1.30 4.67 0.33 -2.24 1.04 -1.07 -4.83 113.70 110.30 3i9j s SER 173 Ca 0.27 1.06 0.01 0.00 0.48 0.00 0.00 55.95 57.78 3i9j s SER 173 Cb 0.15 -1.74 0.56 0.00 0.10 0.00 0.00 66.02 65.09 3i9j s SER 173 CO 0.21 -1.83 1.97 -0.26 0.98 0.00 0.00 173.24 174.31 3i9j h PHE 174 N -0.99 0.84 -0.09 5.02 -1.00 -1.89 0.10 116.94 118.93 3i9j h PHE 174 Ca -0.47 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.31 3i9j h PHE 174 Cb 1.29 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 3i9j h PHE 174 CO 0.41 0.57 0.04 0.35 -1.61 0.00 0.00 178.31 178.07 3i9j h PHE 175 N 0.88 0.14 0.00 -0.55 3.57 -1.90 -1.57 116.94 117.51 3i9j h PHE 175 Ca 0.23 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3i9j h PHE 175 Cb -0.02 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3i9j h PHE 175 CO 0.00 0.24 -0.33 0.78 -2.23 0.00 0.00 178.31 176.78 3i9j h GLY 176 N -0.01 0.00 0.81 2.40 0.00 -1.59 -1.51 103.07 103.17 3i9j h GLY 176 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.01 3i9j h GLY 176 CO -0.00 0.00 -1.84 0.50 0.00 0.00 0.00 176.54 175.19 3i9j h LYS 177 N 0.00 0.30 0.00 4.80 1.57 -0.70 -3.43 116.57 119.12 3i9j h LYS 177 Ca -0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3i9j h LYS 177 Cb 0.70 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3i9j h LYS 177 CO 0.04 1.21 -0.91 0.66 -0.57 0.00 0.00 179.45 179.88 3i9j n TYR 178 N -3.50 0.00 -0.03 -1.35 4.01 -0.60 -4.79 117.16 110.90 3i9j n TYR 178 Ca -0.27 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.44 3i9j n TYR 178 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.08 3i9j n TYR 178 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3i9j n GLU 179 N -1.72 0.19 -0.24 -0.72 1.02 -0.88 -4.02 120.64 114.28 3i9j n GLU 179 Ca 0.00 0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 3i9j n GLU 179 Cb 0.32 -0.82 0.15 0.00 -0.02 0.00 0.00 31.44 31.07 3i9j n GLU 179 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9j h LEU 180 N -0.36 -0.18 -2.32 -4.62 5.85 -1.60 -1.89 115.31 110.20 3i9j h LEU 180 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3i9j h LEU 180 Cb 0.36 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3i9j h LEU 180 CO 0.00 -0.10 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.34 3i9j h PRO 181 N 0.17 0.00 -0.02 5.25 0.11 -1.82 -2.82 132.00 132.87 3i9j h PRO 181 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3i9j h PRO 181 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3i9j h PRO 181 CO -0.56 0.01 -0.12 0.09 -0.21 0.00 0.00 178.00 177.21 3i9j n ASN 182 N -3.14 2.47 -4.75 -2.05 3.02 -0.72 -4.97 115.26 105.11 3i9j n ASN 182 Ca -0.02 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 3i9j n ASN 182 Cb 0.17 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 3i9j n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9j s LEU 183 N -2.14 4.43 0.50 3.41 1.43 -1.07 -3.78 118.68 121.46 3i9j s LEU 183 Ca 0.27 2.50 0.09 0.00 -1.03 0.00 0.00 54.13 55.96 3i9j s LEU 183 Cb 0.20 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.84 3i9j s LEU 183 CO 0.38 -0.51 0.65 0.42 0.23 0.00 0.00 176.35 177.51 3i9j s THR 184 N -0.36 2.52 -0.27 5.49 -4.23 -1.26 -4.98 115.64 112.56 3i9j s THR 184 Ca 0.54 -1.05 0.24 0.00 -1.18 0.00 0.00 61.69 60.24 3i9j s THR 184 Cb -0.38 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.15 3i9j s THR 184 CO 0.43 0.00 1.74 -0.55 -0.54 0.00 0.00 174.62 175.70 3i9j h ASN 185 N 0.46 0.00 0.10 3.99 -1.07 -1.95 -1.45 115.58 115.66 3i9j h ASN 185 Ca -0.35 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.01 3i9j h ASN 185 Cb 1.28 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.53 3i9j h ASN 185 CO 0.45 0.00 -0.01 0.11 0.07 0.00 0.00 177.43 178.05 3i9j h LYS 186 N 0.00 0.00 -6.32 4.14 1.79 -1.93 -3.42 116.57 110.83 3i9j h LYS 186 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3i9j h LYS 186 Cb 0.19 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 3i9j h LYS 186 CO 0.00 0.01 0.15 0.08 -1.08 0.00 0.00 179.45 178.61 3i9j s VAL 187 N -4.25 4.69 -0.12 0.50 1.01 -0.55 -1.37 120.40 120.30 3i9j s VAL 187 Ca -0.04 1.61 0.15 0.00 0.00 0.00 0.00 61.98 63.70 3i9j s VAL 187 Cb 0.13 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 3i9j s VAL 187 CO 0.47 0.40 0.38 0.35 0.00 0.00 0.00 175.10 176.70 3i9j n THR 188 N 2.60 0.00 -3.56 3.92 -2.24 -0.55 -4.84 114.28 109.61 3i9j n THR 188 Ca -0.03 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3i9j n THR 188 Cb 0.50 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 3i9j n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i9j s ARG 189 N -2.97 0.71 -0.13 -0.78 3.52 -1.24 -1.92 118.95 116.14 3i9j s ARG 189 Ca -0.04 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 3i9j s ARG 189 Cb 0.10 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 3i9j s ARG 189 CO 0.63 -0.22 -0.17 0.08 -0.81 0.00 0.00 175.30 174.82 3i9j s VAL 190 N -1.08 1.68 -0.27 7.11 1.01 -0.83 -1.66 120.40 126.36 3i9j s VAL 190 Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3i9j s VAL 190 Cb -0.00 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.88 3i9j s VAL 190 CO 0.04 0.48 -0.03 -0.54 0.00 0.00 0.00 175.10 175.04 3i9j s LYS 191 N 1.13 2.73 -0.11 2.72 1.02 -0.12 -1.90 119.74 125.21 3i9j s LYS 191 Ca -0.02 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 54.78 3i9j s LYS 191 Cb -0.14 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 3i9j s LYS 191 CO -0.05 -0.47 0.30 0.08 -0.92 0.00 0.00 175.35 174.29 3i9j s VAL 192 N 1.32 5.26 -0.22 3.17 1.01 -0.35 -1.03 120.40 129.56 3i9j s VAL 192 Ca -0.01 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3i9j s VAL 192 Cb -0.18 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3i9j s VAL 192 CO -0.03 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 174.81 3i9j s ILE 193 N -0.21 2.60 -0.22 2.22 1.01 -0.05 -0.84 121.20 125.71 3i9j s ILE 193 Ca 0.18 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3i9j s ILE 193 Cb -0.14 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3i9j s ILE 193 CO 0.07 0.37 0.18 -0.69 0.00 0.00 0.00 174.94 174.86 3i9j s VAL 194 N 1.33 5.36 -0.27 2.92 1.01 0.33 -1.16 120.40 129.92 3i9j s VAL 194 Ca 0.03 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 3i9j s VAL 194 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3i9j s VAL 194 CO -0.08 0.37 0.31 -0.22 0.00 0.00 0.00 175.10 175.47 3i9j s LEU 195 N 0.87 4.04 -0.36 3.92 0.20 -0.14 -1.18 118.68 126.03 3i9j s LEU 195 Ca 0.09 0.19 -0.11 0.00 0.69 0.00 0.00 54.13 54.99 3i9j s LEU 195 Cb -0.13 -2.32 0.02 0.00 -0.43 0.00 0.00 46.19 43.33 3i9j s LEU 195 CO 0.03 -0.13 0.20 -1.00 -0.29 0.00 0.00 176.35 175.16 3i9j s HIS 196 N 1.92 3.23 0.31 5.38 3.76 -1.26 -0.13 115.29 128.50 3i9j s HIS 196 Ca 0.12 -0.83 -0.29 0.00 -0.15 0.00 0.00 55.06 53.91 3i9j s HIS 196 Cb -0.16 -2.42 -0.11 0.00 1.11 0.00 0.00 32.58 31.00 3i9j s HIS 196 CO 0.10 -0.59 1.48 1.03 -0.85 0.00 0.00 174.74 175.91 3i9j s ARG 197 N 1.58 4.19 0.11 1.40 0.52 -1.26 -4.88 118.95 120.60 3i9j s ARG 197 Ca 0.03 2.45 -0.32 0.00 -0.52 0.00 0.00 55.73 57.37 3i9j s ARG 197 Cb -0.19 -3.03 -0.12 0.00 0.52 0.00 0.00 34.95 32.13 3i9j s ARG 197 CO 0.07 -0.48 1.76 1.28 0.02 0.00 0.00 175.30 177.95 3i9j n LEU 198 N 1.45 3.69 0.00 2.53 4.77 -1.26 -2.48 117.00 125.71 3i9j n LEU 198 Ca 0.04 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 3i9j n LEU 198 Cb 0.39 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3i9j n LEU 198 CO 0.62 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3i9j n GLY 199 N 4.02 0.39 3.78 -0.72 0.00 -1.26 -5.01 105.19 106.38 3i9j n GLY 199 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3i9j n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9j s GLU 200 N -0.51 3.07 0.33 1.61 2.02 -1.03 -5.07 118.70 119.12 3i9j s GLU 200 Ca 0.00 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 3i9j s GLU 200 Cb 0.00 -2.87 -0.12 0.00 0.10 0.00 0.00 34.13 31.25 3i9j s GLU 200 CO 0.00 0.66 1.49 1.17 0.02 0.00 0.00 175.26 178.59 3i9j n LYS 201 N 1.32 2.55 -2.54 1.61 4.81 -1.26 -4.79 118.16 119.86 3i9j n LYS 201 Ca -0.14 0.90 -0.43 0.00 -0.87 0.00 0.00 58.31 57.77 3i9j n LYS 201 Cb 0.53 -2.62 -0.02 0.00 0.02 0.00 0.00 35.03 32.94 3i9j n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i9j s ILE 202 N -0.68 4.46 -0.26 3.15 1.01 -1.26 -4.69 121.20 122.92 3i9j s ILE 202 Ca 0.58 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.99 3i9j s ILE 202 Cb -0.51 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 37.62 3i9j s ILE 202 CO 0.58 -0.21 -0.23 -0.38 0.00 0.00 0.00 174.94 174.69 3i9j n ILE 203 N 5.46 1.49 -4.85 2.92 2.08 0.30 -5.01 119.36 121.76 3i9j n ILE 203 Ca 0.13 -0.57 -0.27 0.00 0.56 0.00 0.00 62.75 62.60 3i9j n ILE 203 Cb 0.46 -1.43 -0.15 0.00 -0.75 0.00 0.00 39.64 37.77 3i9j n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i9j s GLU 204 N -2.52 1.60 0.08 0.38 0.41 -0.67 -5.02 118.70 112.96 3i9j s GLU 204 Ca -0.35 -0.91 0.07 0.00 -0.41 0.00 0.00 54.97 53.36 3i9j s GLU 204 Cb 0.09 -1.66 -0.03 0.00 -1.78 0.00 0.00 34.13 30.75 3i9j s GLU 204 CO 0.60 0.44 -0.18 0.15 -0.49 0.00 0.00 175.26 175.78 3i9j s LYS 205 N -0.95 1.00 0.24 1.61 1.02 -1.26 -4.83 119.74 116.58 3i9j s LYS 205 Ca 0.09 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 3i9j s LYS 205 Cb -0.09 -1.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.94 3i9j s LYS 205 CO 0.01 0.26 1.12 0.00 -0.92 0.00 0.00 175.35 175.82 3i9j n GLY 207 N 1.61 0.47 3.14 0.00 0.00 -1.26 -5.01 105.19 104.14 3i9j n GLY 207 Ca 0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3i9j n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9j s ALA 208 N -1.96 -0.17 0.00 4.61 0.00 -1.02 -4.67 121.76 118.56 3i9j s ALA 208 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3i9j s ALA 208 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3i9j s ALA 208 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3i9j n GLY 209 N 0.76 3.05 0.30 0.00 0.00 -1.26 -2.20 105.19 105.84 3i9j n GLY 209 Ca -0.19 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.66 3i9j n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9j h SER 210 N 8.43 0.00 0.66 1.61 4.64 -1.93 -1.88 113.55 125.08 3i9j h SER 210 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3i9j h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3i9j h SER 210 CO 0.00 0.01 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.15 3i9j h LEU 211 N 0.00 0.08 -0.37 5.97 3.38 -1.73 -0.08 115.31 122.55 3i9j h LEU 211 Ca -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i9j h LEU 211 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i9j h LEU 211 CO 0.00 0.79 0.07 0.25 0.09 0.00 0.00 178.44 179.64 3i9j h LEU 212 N 0.04 0.58 -0.19 1.67 6.46 -1.32 -0.44 115.31 122.11 3i9j h LEU 212 Ca -0.01 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 3i9j h LEU 212 Cb 1.31 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 3i9j h LEU 212 CO 0.10 0.68 0.11 0.44 -0.62 0.00 0.00 178.44 179.15 3i9j h ASP 213 N 0.46 0.23 -0.47 1.25 3.32 -1.27 -2.78 116.42 117.16 3i9j h ASP 213 Ca 0.12 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.20 3i9j h ASP 213 Cb 0.34 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 3i9j h ASP 213 CO 0.00 0.21 0.02 0.25 -1.72 0.00 0.00 179.24 178.01 3i9j h LEU 214 N 0.22 -0.15 -0.74 1.55 5.85 -0.99 -1.55 115.31 119.51 3i9j h LEU 214 Ca 0.07 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.02 3i9j h LEU 214 Cb 0.03 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3i9j h LEU 214 CO -0.01 -0.04 0.33 -0.08 -0.34 0.00 0.00 178.44 178.30 3i9j h GLU 215 N 0.14 0.50 -0.26 1.25 4.81 -0.91 -1.03 114.58 119.09 3i9j h GLU 215 Ca 0.23 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3i9j h GLU 215 Cb 0.34 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3i9j h GLU 215 CO -0.37 0.33 -0.23 0.87 -0.73 0.00 0.00 179.01 178.88 3i9j h LYS 216 N 0.51 0.61 -0.33 1.92 1.57 -1.22 0.11 116.57 119.74 3i9j h LYS 216 Ca 0.39 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3i9j h LYS 216 Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3i9j h LYS 216 CO -0.35 0.91 0.13 1.25 -0.57 0.00 0.00 179.45 180.82 3i9j h LEU 217 N 0.33 0.16 -0.77 2.94 6.46 -1.10 -0.09 115.31 123.24 3i9j h LEU 217 Ca 0.04 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.72 3i9j h LEU 217 Cb 0.78 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 3i9j h LEU 217 CO 0.06 0.13 -0.27 0.58 -0.62 0.00 0.00 178.44 178.32 3i9j h VAL 218 N 0.28 1.27 -0.96 1.05 2.07 -1.11 -2.71 116.25 116.14 3i9j h VAL 218 Ca 0.14 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.31 3i9j h VAL 218 Cb 0.10 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3i9j h VAL 218 CO -0.13 0.44 0.64 0.11 0.02 0.00 0.00 177.57 178.65 3i9j h LYS 219 N 0.55 1.27 0.14 1.57 1.57 -0.44 -2.97 116.57 118.26 3i9j h LYS 219 Ca 0.07 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3i9j h LYS 219 Cb 0.75 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3i9j h LYS 219 CO 0.06 0.84 -0.22 0.00 -0.57 0.00 0.00 179.45 179.56 3i9j h ALA 220 N 1.35 -0.39 0.00 3.86 0.00 -0.69 -2.01 119.26 121.37 3i9j h ALA 220 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i9j h ALA 220 Cb -0.15 0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i9j h ALA 220 CO -0.08 -0.76 0.00 1.63 0.00 0.00 0.00 179.25 180.04 3i9j n LYS 221 N -5.35 0.09 -2.06 0.00 5.02 -1.16 -4.81 118.16 109.89 3i9j n LYS 221 Ca -0.07 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3i9j n LYS 221 Cb 0.26 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 3i9j n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9j n HIS 222 N -1.14 -0.38 -3.49 2.13 8.25 -0.76 -5.02 115.22 114.82 3i9j n HIS 222 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 3i9j n HIS 222 Cb 0.02 -2.22 -0.05 0.00 1.12 0.00 0.00 29.99 28.86 3i9j n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i9j s PHE 223 N -2.43 3.53 1.14 4.41 0.08 -1.13 -4.97 117.98 118.61 3i9j s PHE 223 Ca 0.00 0.85 -0.15 0.00 0.12 0.00 0.00 56.93 57.75 3i9j s PHE 223 Cb 0.00 -2.22 0.20 0.00 -0.57 0.00 0.00 43.02 40.43 3i9j s PHE 223 CO 0.00 0.42 0.55 0.00 -0.10 0.00 0.00 175.22 176.09 3i9j n ALA 224 N 0.50 -3.42 -3.66 5.36 0.00 -0.81 -4.35 120.51 114.13 3i9j n ALA 224 Ca -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 53.44 52.11 3i9j n ALA 224 Cb 0.52 -1.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 3i9j n ALA 224 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3i9j s PHE 225 N -2.33 -0.85 0.30 0.00 5.36 -1.26 -1.97 117.98 117.23 3i9j s PHE 225 Ca 0.63 1.74 0.03 0.00 -0.96 0.00 0.00 56.93 58.37 3i9j s PHE 225 Cb -0.19 0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 42.91 3i9j s PHE 225 CO 0.66 -0.44 0.13 0.16 -1.46 0.00 0.00 175.22 174.26 3i9j s ASP 226 N 1.51 1.63 -0.17 6.13 3.84 -0.80 -4.99 116.67 123.82 3i9j s ASP 226 Ca -0.10 -1.50 -0.17 0.00 -0.00 0.00 0.00 52.55 50.78 3i9j s ASP 226 Cb -0.07 0.29 0.05 0.00 -1.38 0.00 0.00 42.92 41.81 3i9j s ASP 226 CO -0.16 -0.82 0.48 0.00 -0.00 0.00 0.00 175.17 174.67 3i9j s VAL 228 N 0.14 0.03 -0.11 0.00 0.11 -0.02 -4.97 120.40 115.59 3i9j s VAL 228 Ca -0.01 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 3i9j s VAL 228 Cb -0.03 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3i9j s VAL 228 CO 0.01 -0.14 0.05 -1.61 -3.33 0.00 0.00 175.10 170.08 3i9j s GLU 229 N -0.53 3.31 -0.95 1.54 2.02 -1.26 -0.51 118.70 122.31 3i9j s GLU 229 Ca -0.06 -0.32 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 3i9j s GLU 229 Cb -0.04 -2.98 0.03 0.00 0.10 0.00 0.00 34.13 31.24 3i9j s GLU 229 CO 0.01 0.64 0.47 0.09 0.02 0.00 0.00 175.26 176.50 3i9j n ASN 230 N 2.37 -2.79 -4.77 -0.19 4.13 -0.32 -4.88 115.26 108.81 3i9j n ASN 230 Ca -0.19 -1.00 -0.37 0.00 1.68 0.00 0.00 54.58 54.71 3i9j n ASN 230 Cb 0.54 -1.20 -0.00 0.00 -1.54 0.00 0.00 39.78 37.57 3i9j n ASN 230 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i9j s PRO 231 N -6.88 3.65 0.28 3.52 0.04 -1.26 -4.53 135.00 129.83 3i9j s PRO 231 Ca 0.35 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 3i9j s PRO 231 Cb -0.20 -2.31 0.58 0.00 0.04 0.00 0.00 34.50 32.61 3i9j s PRO 231 CO 0.75 -0.64 1.58 0.00 0.04 0.00 0.00 177.00 178.73 3i9j h ARG 232 N 1.84 0.02 -0.51 4.56 3.08 -1.98 0.52 114.38 121.92 3i9j h ARG 232 Ca -0.50 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 3i9j h ARG 232 Cb 1.25 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3i9j h ARG 232 CO 0.59 0.01 0.04 0.00 -1.07 0.00 0.00 179.97 179.55 3i9j h ALA 233 N 1.92 1.10 -0.22 0.04 0.00 -2.01 -0.43 119.26 119.67 3i9j h ALA 233 Ca 0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3i9j h ALA 233 Cb 0.94 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i9j h ALA 233 CO -0.90 0.58 -0.21 0.28 0.00 0.00 0.00 179.25 178.99 3i9j h VAL 234 N 0.79 1.32 -0.99 0.00 2.07 -1.31 -3.22 116.25 114.91 3i9j h VAL 234 Ca 0.16 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.38 3i9j h VAL 234 Cb 0.42 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3i9j h VAL 234 CO 0.01 0.42 0.64 0.25 0.02 0.00 0.00 177.57 178.92 3i9j h LEU 235 N 0.22 1.00 -0.90 2.57 5.85 -0.46 -2.40 115.31 121.19 3i9j h LEU 235 Ca 0.04 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3i9j h LEU 235 Cb 0.76 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3i9j h LEU 235 CO 0.05 0.62 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.02 3i9j h PHE 236 N 1.12 0.17 -0.77 1.25 0.04 -1.12 -1.88 116.94 115.75 3i9j h PHE 236 Ca 0.44 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 61.11 3i9j h PHE 236 Cb 0.23 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3i9j h PHE 236 CO -0.00 0.61 0.31 -0.07 -0.60 0.00 0.00 178.31 178.55 3i9j h LEU 237 N 0.11 1.07 0.01 1.54 3.38 -1.45 -0.33 115.31 119.65 3i9j h LEU 237 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3i9j h LEU 237 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3i9j h LEU 237 CO 0.07 0.95 -0.01 -0.07 0.09 0.00 0.00 178.44 179.47 3i9j h LEU 238 N 1.13 -0.01 -1.37 1.67 3.38 -1.20 -3.01 115.31 115.89 3i9j h LEU 238 Ca 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3i9j h LEU 238 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3i9j h LEU 238 CO -0.02 0.12 0.13 0.00 0.09 0.00 0.00 178.44 178.75 3i9j h SER 240 N 0.55 0.62 1.10 0.00 0.87 -0.92 0.55 113.55 116.32 3i9j h SER 240 Ca 0.13 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3i9j h SER 240 Cb 0.16 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3i9j h SER 240 CO -0.01 0.18 -0.24 0.47 -0.53 0.00 0.00 176.83 176.71 3i9j n ASP 241 N -4.86 0.60 -3.00 6.23 8.00 -0.43 -4.33 116.55 118.74 3i9j n ASP 241 Ca 0.22 0.34 -0.17 0.00 0.71 0.00 0.00 54.79 55.89 3i9j n ASP 241 Cb 0.58 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 3i9j n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9j n ASN 242 N -1.99 -1.08 0.22 -2.24 4.05 -0.37 -5.00 115.26 108.84 3i9j n ASN 242 Ca 0.05 -2.99 0.15 0.00 0.45 0.00 0.00 54.58 52.24 3i9j n ASN 242 Cb 0.41 0.43 0.75 0.00 1.23 0.00 0.00 39.78 42.59 3i9j n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i9j h PRO 243 N 3.89 0.00 -0.22 1.20 0.14 -1.15 -2.53 132.00 133.33 3i9j h PRO 243 Ca -0.02 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.12 3i9j h PRO 243 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.09 3i9j h PRO 243 CO 0.40 0.00 0.00 -1.71 0.14 0.00 0.00 178.00 176.83 3i9j n ASN 244 N -2.61 2.38 -4.74 1.44 5.15 -1.26 -4.84 115.26 110.79 3i9j n ASN 244 Ca -0.01 -1.82 -0.33 0.00 -0.60 0.00 0.00 54.58 51.82 3i9j n ASN 244 Cb 0.14 -0.14 0.08 0.00 -0.53 0.00 0.00 39.78 39.33 3i9j n ASN 244 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9j s ALA 245 N -1.72 2.19 0.38 5.20 0.00 -0.96 -4.92 121.76 121.93 3i9j s ALA 245 Ca 0.34 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.13 3i9j s ALA 245 Cb 0.20 -3.41 0.74 0.00 0.00 0.00 0.00 23.12 20.65 3i9j s ALA 245 CO 0.29 -1.74 1.88 0.00 0.00 0.00 0.00 175.76 176.19 3i9j h ARG 246 N -0.33 0.20 0.00 0.00 3.08 -1.92 -2.25 114.38 113.16 3i9j h ARG 246 Ca -0.47 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3i9j h ARG 246 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3i9j h ARG 246 CO 0.51 0.40 0.00 0.39 -1.07 0.00 0.00 179.97 180.19 3i9j n GLU 247 N -4.23 0.09 -0.45 0.04 4.71 -1.26 -2.76 120.64 116.79 3i9j n GLU 247 Ca -0.01 0.39 0.08 0.00 -0.01 0.00 0.00 57.16 57.61 3i9j n GLU 247 Cb 0.31 -1.70 0.26 0.00 -1.01 0.00 0.00 31.44 29.30 3i9j n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9j s ARG 249 N -2.58 4.23 0.18 0.00 3.52 -1.11 -4.93 118.95 118.25 3i9j s ARG 249 Ca 0.41 2.30 -0.14 0.00 -0.13 0.00 0.00 55.73 58.17 3i9j s ARG 249 Cb 0.32 -3.29 -0.07 0.00 -1.56 0.00 0.00 34.95 30.35 3i9j s ARG 249 CO 0.11 -0.61 0.58 -0.51 -0.81 0.00 0.00 175.30 174.06 3i9j s LEU 250 N 1.53 4.29 0.00 -0.88 1.43 -1.26 -5.14 118.68 118.65 3i9j s LEU 250 Ca 0.70 1.11 0.14 0.00 -1.03 0.00 0.00 54.13 55.05 3i9j s LEU 250 Cb -0.41 -3.43 0.83 0.00 0.03 0.00 0.00 46.19 43.21 3i9j s LEU 250 CO 0.31 0.05 1.26 0.00 0.23 0.00 0.00 176.35 178.19