#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 5.07 0.51 9.51 1.01 -1.26 -1.79 120.40 133.45 3i9j s VAL 2 Ca 0.00 0.94 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 3i9j s VAL 2 Cb 0.00 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3i9j s VAL 2 CO 0.00 0.10 1.28 -2.84 0.00 0.00 0.00 175.10 173.64 3i9j s PRO 3 N 2.16 3.39 0.16 2.72 0.02 -1.26 -4.86 135.00 137.33 3i9j s PRO 3 Ca 0.23 2.05 -0.33 0.00 0.02 0.00 0.00 61.00 62.96 3i9j s PRO 3 Cb -0.16 -2.32 -0.16 0.00 0.02 0.00 0.00 34.50 31.89 3i9j s PRO 3 CO 0.09 -0.93 1.20 2.41 -0.33 0.00 0.00 177.00 179.44 3i9j n THR 4 N -0.80 0.72 -2.44 0.99 -1.04 -0.26 -4.96 114.28 106.49 3i9j n THR 4 Ca 0.09 -0.18 -0.37 0.00 -2.04 0.00 0.00 64.05 61.55 3i9j n THR 4 Cb 0.46 -0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 68.09 3i9j n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i9j s ARG 5 N -0.21 4.08 -1.19 -2.82 0.52 -1.26 -4.15 118.95 113.91 3i9j s ARG 5 Ca 0.75 1.63 -0.23 0.00 -0.52 0.00 0.00 55.73 57.36 3i9j s ARG 5 Cb -0.87 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.06 3i9j s ARG 5 CO 0.51 -0.24 0.71 0.39 0.02 0.00 0.00 175.30 176.69 3i9j n GLU 6 N -0.09 -1.08 0.22 3.54 1.02 -1.26 -4.77 120.64 118.21 3i9j n GLU 6 Ca 0.05 0.32 -0.15 0.00 -0.02 0.00 0.00 57.16 57.36 3i9j n GLU 6 Cb 0.49 -3.64 -0.07 0.00 -0.02 0.00 0.00 31.44 28.19 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 -2.13 -0.89 -0.64 -4.62 5.85 -1.99 -1.80 115.31 109.10 3i9j h LEU 7 Ca -0.68 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.25 3i9j h LEU 7 Cb 1.38 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 42.60 3i9j h LEU 7 CO 0.51 -0.47 0.08 -0.08 -0.34 0.00 0.00 178.44 178.14 3i9j h GLU 8 N -0.70 0.19 -0.75 1.25 4.81 -1.95 -0.92 114.58 116.51 3i9j h GLU 8 Ca -0.02 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3i9j h GLU 8 Cb 0.63 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3i9j h GLU 8 CO -0.05 0.12 0.44 -0.91 -0.73 0.00 0.00 179.01 177.88 3i9j h ASN 9 N 0.19 0.91 -0.31 1.04 2.35 -1.79 -1.22 115.58 116.75 3i9j h ASN 9 Ca 0.34 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 3i9j h ASN 9 Cb 0.55 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3i9j h ASN 9 CO -0.49 0.72 -0.15 0.58 -1.65 0.00 0.00 177.43 176.44 3i9j h VAL 10 N 1.03 1.29 0.69 2.81 2.07 -0.73 -0.74 116.25 122.67 3i9j h VAL 10 Ca 0.27 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3i9j h VAL 10 Cb -0.01 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3i9j h VAL 10 CO -0.05 0.40 -0.38 0.15 0.02 0.00 0.00 177.57 177.72 3i9j h PHE 11 N 0.40 -1.00 -0.86 1.57 3.04 -1.01 -1.43 116.94 117.66 3i9j h PHE 11 Ca 0.07 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.05 3i9j h PHE 11 Cb 0.68 0.34 -0.05 0.00 2.56 0.00 0.00 35.95 39.48 3i9j h PHE 11 CO 0.06 -0.59 0.56 -0.07 -2.02 0.00 0.00 178.31 176.25 3i9j h LEU 12 N -0.99 0.88 0.26 0.59 3.38 -1.28 -0.27 115.31 117.87 3i9j h LEU 12 Ca -0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3i9j h LEU 12 Cb 0.78 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3i9j h LEU 12 CO 0.12 0.58 -0.12 1.23 0.09 0.00 0.00 178.44 180.34 3i9j h GLY 13 N 1.00 -0.36 0.62 0.83 0.00 -0.90 -1.36 103.07 102.90 3i9j h GLY 13 Ca 0.36 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.93 3i9j h GLY 13 CO -0.12 -0.13 0.59 3.21 0.00 0.00 0.00 176.54 180.09 3i9j h ARG 14 N -0.63 0.86 -0.43 4.80 3.08 -1.25 -0.93 114.38 119.88 3i9j h ARG 14 Ca -0.04 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3i9j h ARG 14 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3i9j h ARG 14 CO 0.06 0.57 0.07 0.00 -1.07 0.00 0.00 179.97 179.60 3i9j h LYS 16 N 0.58 0.84 0.15 0.00 1.63 -1.08 -1.52 116.57 117.16 3i9j h LYS 16 Ca 0.13 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3i9j h LYS 16 Cb 0.37 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3i9j h LYS 16 CO 0.01 1.09 -0.12 0.22 -3.45 0.00 0.00 179.45 177.20 3i9j h ASP 17 N 0.68 -0.31 0.04 4.20 3.58 -1.04 -2.57 116.42 121.00 3i9j h ASP 17 Ca 0.05 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3i9j h ASP 17 Cb 0.98 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3i9j h ASP 17 CO 0.09 -0.19 -0.02 0.22 -2.88 0.00 0.00 179.24 176.47 3i9j h TYR 18 N -0.28 -0.05 -0.52 0.28 5.03 -1.22 -1.06 116.97 119.15 3i9j h TYR 18 Ca -0.00 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.41 3i9j h TYR 18 Cb 0.25 0.02 -0.10 0.00 1.55 0.00 0.00 36.73 38.45 3i9j h TYR 18 CO -0.11 -0.01 -0.11 1.49 -1.32 0.00 0.00 178.16 178.10 3i9j h GLU 19 N -0.07 0.02 0.02 1.82 4.81 -1.18 -1.90 114.58 118.09 3i9j h GLU 19 Ca -0.01 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3i9j h GLU 19 Cb 0.06 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3i9j h GLU 19 CO 0.01 0.01 -1.62 0.82 -0.73 0.00 0.00 179.01 177.50 3i9j h ILE 20 N 0.02 0.97 0.00 2.32 1.08 -1.47 -3.43 117.51 116.99 3i9j h ILE 20 Ca 0.25 -2.78 0.00 0.00 -0.39 0.00 0.00 64.86 61.94 3i9j h ILE 20 Cb 0.39 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 3i9j h ILE 20 CO -0.52 0.60 -0.23 0.35 -0.69 0.00 0.00 178.15 177.66 3i9j n THR 21 N -3.14 0.00 -3.86 -0.27 -2.24 -0.40 -5.02 114.28 99.34 3i9j n THR 21 Ca -0.16 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 3i9j n THR 21 Cb 1.04 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.67 3.46 -0.89 -0.78 1.81 -0.72 -4.50 118.95 116.67 3i9j s ARG 22 Ca 0.00 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.89 3i9j s ARG 22 Cb 0.00 -3.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.32 3i9j s ARG 22 CO 0.00 0.77 0.00 0.66 -0.68 0.00 0.00 175.30 176.05 3i9j n TYR 23 N 1.87 -1.39 -0.08 -0.53 4.02 -1.26 -4.81 117.16 114.97 3i9j n TYR 23 Ca -0.19 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.84 3i9j n TYR 23 Cb 0.55 -2.40 0.54 0.00 -0.02 0.00 0.00 39.34 38.00 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 0.30 -2.21 7.72 3.38 -1.82 -0.71 115.31 121.97 3i9j h LEU 24 Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3i9j h LEU 24 Cb 1.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i9j h LEU 24 CO 0.28 0.18 0.00 0.47 0.09 0.00 0.00 178.44 179.46 3i9j n ASP 25 N -4.46 3.24 0.00 -0.43 8.00 -1.26 -4.57 116.55 117.06 3i9j n ASP 25 Ca 0.11 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3i9j n ASP 25 Cb 0.44 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3i9j n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i9j n ILE 26 N 1.28 0.00 -4.23 0.53 5.41 -0.44 -5.07 119.36 116.84 3i9j n ILE 26 Ca 0.20 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.75 3i9j n ILE 26 Cb 0.52 -0.54 -0.12 0.00 -0.71 0.00 0.00 39.64 38.79 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 -4.58 2.32 0.83 1.39 1.43 -0.41 -4.72 118.68 114.94 3i9j s LEU 27 Ca 0.00 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 3i9j s LEU 27 Cb 0.00 -0.66 0.09 0.00 0.03 0.00 0.00 46.19 45.64 3i9j s LEU 27 CO 0.00 -0.04 1.13 -2.16 0.23 0.00 0.00 176.35 175.51 3i9j s PRO 28 N -2.05 1.85 0.29 1.29 0.04 -1.26 -4.64 135.00 130.52 3i9j s PRO 28 Ca 0.04 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 3i9j s PRO 28 Cb -0.09 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3i9j s PRO 28 CO 0.03 -1.73 0.85 1.03 0.04 0.00 0.00 177.00 177.23 3i9j s ARG 29 N -5.32 4.39 0.72 4.56 1.81 -1.26 -4.96 118.95 118.89 3i9j s ARG 29 Ca 0.62 1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 55.60 3i9j s ARG 29 Cb -0.13 -2.75 0.03 0.00 -0.45 0.00 0.00 34.95 31.65 3i9j s ARG 29 CO 0.52 0.29 1.09 0.08 -0.68 0.00 0.00 175.30 176.61 3i9j s VAL 30 N -1.66 3.36 -1.12 3.52 1.01 -1.26 -4.99 120.40 119.25 3i9j s VAL 30 Ca 0.49 0.51 0.25 0.00 0.00 0.00 0.00 61.98 63.23 3i9j s VAL 30 Cb -0.16 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.22 3i9j s VAL 30 CO 0.21 -0.51 1.41 0.54 0.00 0.00 0.00 175.10 176.76 3i9j n ARG 31 N -3.05 0.14 -3.97 2.72 1.74 -1.26 -4.93 116.66 108.05 3i9j n ARG 31 Ca 0.09 -0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3i9j n ARG 31 Cb 0.53 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 3i9j n ARG 31 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3i9j s SER 32 N -2.92 6.11 0.81 0.55 0.01 -1.26 -5.10 113.70 111.89 3i9j s SER 32 Ca 0.13 0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.41 3i9j s SER 32 Cb 0.18 -1.80 0.08 0.00 0.21 0.00 0.00 66.02 64.69 3i9j s SER 32 CO 0.68 0.12 1.15 -0.62 0.41 0.00 0.00 173.24 174.99 3i9j s ASP 33 N -2.77 3.78 0.26 2.44 -1.08 -1.26 -4.90 116.67 113.14 3i9j s ASP 33 Ca 0.33 2.16 0.06 0.00 -0.52 0.00 0.00 52.55 54.58 3i9j s ASP 33 Cb -0.12 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.09 3i9j s ASP 33 CO 0.27 -2.53 1.60 0.00 0.52 0.00 0.00 175.17 175.03 3i9j h SER 35 N 0.17 0.73 -0.04 0.00 0.02 -1.98 -0.11 113.55 112.34 3i9j h SER 35 Ca 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3i9j h SER 35 Cb 1.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3i9j h SER 35 CO 0.08 0.73 -0.10 0.00 -1.14 0.00 0.00 176.83 176.40 3i9j h ALA 36 N 1.37 0.07 -0.69 3.77 0.00 -1.86 -1.54 119.26 120.37 3i9j h ALA 36 Ca 0.17 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3i9j h ALA 36 Cb 0.29 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 3i9j h ALA 36 CO -0.00 -0.05 -0.24 -0.07 0.00 0.00 0.00 179.25 178.89 3i9j h LEU 37 N -0.40 -0.86 -0.42 0.00 3.38 -1.31 -1.39 115.31 114.31 3i9j h LEU 37 Ca -0.00 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3i9j h LEU 37 Cb 0.71 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3i9j h LEU 37 CO 0.02 -0.26 0.24 -0.25 0.09 0.00 0.00 178.44 178.28 3i9j h TRP 38 N -0.05 0.44 -0.52 1.13 2.91 -0.93 -0.45 115.95 118.48 3i9j h TRP 38 Ca 0.31 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.39 3i9j h TRP 38 Cb 0.54 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.01 3i9j h TRP 38 CO -0.61 0.25 0.27 -0.22 -1.03 0.00 0.00 178.44 177.09 3i9j h LYS 39 N 0.48 0.50 -0.36 2.65 3.64 -0.74 0.51 116.57 123.25 3i9j h LYS 39 Ca 0.17 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3i9j h LYS 39 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3i9j h LYS 39 CO -0.09 0.33 -0.23 -0.44 -2.27 0.00 0.00 179.45 176.75 3i9j h ASP 40 N 0.52 0.83 0.07 4.20 3.32 -1.17 -2.88 116.42 121.31 3i9j h ASP 40 Ca 0.23 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3i9j h ASP 40 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3i9j h ASP 40 CO -0.15 1.08 -0.03 0.15 -1.72 0.00 0.00 179.24 178.56 3i9j h PHE 41 N 0.59 -0.09 -0.17 4.55 3.57 -0.30 -2.87 116.94 122.21 3i9j h PHE 41 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3i9j h PHE 41 Cb 0.79 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3i9j h PHE 41 CO 0.06 0.09 -0.07 0.35 -2.23 0.00 0.00 178.31 176.51 3i9j h PHE 42 N -0.25 -0.16 0.00 0.41 3.57 -0.11 -2.45 116.94 117.95 3i9j h PHE 42 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i9j h PHE 42 Cb 0.21 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3i9j h PHE 42 CO -0.02 -0.11 0.00 0.36 -2.23 0.00 0.00 178.31 176.30 3i9j n LYS 43 N -5.22 0.03 -0.11 1.11 -0.00 -1.09 -0.72 118.16 112.18 3i9j n LYS 43 Ca -0.03 0.26 -0.10 0.00 -0.00 0.00 0.00 58.31 58.44 3i9j n LYS 43 Cb 0.14 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.64 3i9j n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9j h ALA 44 N 2.47 0.42 0.00 0.58 0.00 -1.21 -3.38 119.26 118.15 3i9j h ALA 44 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i9j h ALA 44 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i9j h ALA 44 CO 0.00 0.10 -0.95 1.97 0.00 0.00 0.00 179.25 180.37 3i9j n PHE 45 N -4.63 0.00 -2.34 0.00 -1.74 -0.98 -4.83 117.46 102.94 3i9j n PHE 45 Ca -0.02 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.52 3i9j n PHE 45 Cb 0.20 -0.09 -0.01 0.00 1.52 0.00 0.00 39.48 41.10 3i9j n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3i9j s SER 46 N -2.33 5.92 -1.22 5.98 1.04 0.10 -3.52 113.70 119.67 3i9j s SER 46 Ca -0.01 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.50 3i9j s SER 46 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3i9j s SER 46 CO 0.25 -1.08 0.00 0.49 0.98 0.00 0.00 173.24 173.88 3i9j n PHE 47 N -1.23 -0.18 -4.12 5.02 3.72 -0.45 -4.92 117.46 115.29 3i9j n PHE 47 Ca 0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 3i9j n PHE 47 Cb 0.52 -2.40 -0.10 0.00 -0.94 0.00 0.00 39.48 36.55 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 -3.52 0.71 0.27 -1.08 1.02 -1.19 -4.65 119.74 111.30 3i9j s LYS 48 Ca 0.00 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 3i9j s LYS 48 Cb 0.00 0.02 -0.11 0.00 -0.52 0.00 0.00 37.83 37.22 3i9j s LYS 48 CO 0.00 -0.07 1.57 1.21 -0.92 0.00 0.00 175.35 177.14 3i9j s ASN 49 N -2.96 6.45 0.62 2.83 3.84 -1.26 -2.36 114.94 122.10 3i9j s ASN 49 Ca 0.09 2.86 0.27 0.00 0.21 0.00 0.00 52.86 56.29 3i9j s ASN 49 Cb 0.07 -2.63 1.36 0.00 -0.55 0.00 0.00 41.25 39.50 3i9j s ASN 49 CO -0.08 -0.86 1.77 -0.65 -2.79 0.00 0.00 177.10 174.50 3i9j h PRO 50 N 5.13 0.00 -0.50 0.43 0.11 -1.91 0.42 132.00 135.68 3i9j h PRO 50 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i9j h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i9j h PRO 50 CO 0.81 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 3i9j h ASP 52 N 3.23 0.00 -2.81 0.00 5.19 -0.50 -3.45 116.42 118.08 3i9j h ASP 52 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 3i9j h ASP 52 Cb 1.42 0.00 0.17 0.00 0.18 0.00 0.00 39.33 41.11 3i9j h ASP 52 CO 0.23 0.61 -0.52 0.18 -3.12 0.00 0.00 179.24 176.63 3i9j n LEU 53 N -3.49 0.06 0.00 1.55 4.77 -1.26 -5.03 117.00 113.59 3i9j n LEU 53 Ca 0.00 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3i9j n LEU 53 Cb 0.69 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3i9j n LEU 53 CO 0.41 -3.34 0.00 -0.90 -1.33 0.00 0.00 177.39 172.23 3i9j n ASP 54 N 0.80 0.00 0.17 -1.43 5.68 -1.26 -3.64 116.55 116.87 3i9j n ASP 54 Ca 0.11 -0.84 0.13 0.00 -0.50 0.00 0.00 54.79 53.69 3i9j n ASP 54 Cb 0.47 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.01 3i9j n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3i9j h LEU 55 N 0.00 0.00 -0.09 -2.12 7.12 -1.90 -2.18 115.31 116.15 3i9j h LEU 55 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i9j h LEU 55 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3i9j h LEU 55 CO 0.00 0.00 -0.60 0.61 -0.13 0.00 0.00 178.44 178.32 3i9j n GLY 56 N -0.07 -1.07 0.37 3.75 0.00 -1.26 -4.56 105.19 102.34 3i9j n GLY 56 Ca 0.01 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 0.22 0.88 -0.63 1.61 0.02 -1.74 -2.04 113.55 111.88 3i9j h SER 57 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3i9j h SER 57 Cb 0.51 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3i9j h SER 57 CO 0.00 0.54 0.00 -1.22 -1.14 0.00 0.00 176.83 175.01 3i9j n TYR 58 N -4.51 0.93 -0.24 3.45 4.01 -1.26 -4.48 117.16 115.06 3i9j n TYR 58 Ca 0.15 -0.52 0.05 0.00 -0.16 0.00 0.00 57.90 57.41 3i9j n TYR 58 Cb 0.24 -0.05 0.17 0.00 -0.31 0.00 0.00 39.34 39.39 3i9j n TYR 58 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3i9j h LYS 59 N 3.69 0.23 -0.27 -0.72 1.57 -1.63 -2.04 116.57 117.41 3i9j h LYS 59 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i9j h LYS 59 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3i9j h LYS 59 CO 0.04 0.15 0.11 -0.44 -0.57 0.00 0.00 179.45 178.75 3i9j h ASP 60 N 0.24 0.37 -0.25 0.86 5.19 -1.83 -0.89 116.42 120.11 3i9j h ASP 60 Ca 0.40 -0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.71 3i9j h ASP 60 Cb 0.67 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 3i9j h ASP 60 CO -0.51 0.43 -0.15 0.15 -3.12 0.00 0.00 179.24 176.03 3i9j h PHE 61 N 0.29 -0.38 0.00 4.55 3.57 -1.78 -1.14 116.94 122.05 3i9j h PHE 61 Ca 0.09 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3i9j h PHE 61 Cb 0.17 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3i9j h PHE 61 CO -0.01 -0.22 -0.46 0.74 -2.23 0.00 0.00 178.31 176.13 3i9j h PHE 62 N -0.13 0.00 -0.77 0.41 0.04 -1.27 -1.67 116.94 113.55 3i9j h PHE 62 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3i9j h PHE 62 Cb 0.34 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3i9j h PHE 62 CO -0.33 0.46 0.35 1.15 -0.60 0.00 0.00 178.31 179.35 3i9j h THR 63 N 0.00 1.25 0.00 -1.55 2.02 -0.50 -2.29 112.91 111.84 3i9j h THR 63 Ca -0.00 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 3i9j h THR 63 Cb 0.83 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3i9j h THR 63 CO 0.06 0.30 -0.28 0.28 0.37 0.00 0.00 175.52 176.25 3i9j h SER 64 N 1.10 0.00 -0.01 4.18 0.02 -0.88 -3.32 113.55 114.64 3i9j h SER 64 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i9j h SER 64 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3i9j h SER 64 CO -0.03 0.28 -0.47 0.00 -1.14 0.00 0.00 176.83 175.47 3i9j n ALA 65 N -2.23 3.50 -1.77 3.77 0.00 -0.66 -4.46 120.51 118.67 3i9j n ALA 65 Ca 0.01 -0.57 -0.38 0.00 0.00 0.00 0.00 53.44 52.49 3i9j n ALA 65 Cb 0.49 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.24 4.32 -0.04 0.00 2.00 -0.89 -4.71 119.66 118.09 3i9j s GLN 66 Ca 0.14 1.71 0.06 0.00 -2.00 0.00 0.00 55.36 55.27 3i9j s GLN 66 Cb 0.15 -2.82 -0.02 0.00 0.80 0.00 0.00 33.01 31.12 3i9j s GLN 66 CO 0.52 -0.05 -0.22 -0.65 -0.50 0.00 0.00 175.29 174.39 3i9j s GLN 67 N -2.05 2.37 0.36 1.67 -0.21 -1.26 -4.91 119.66 115.63 3i9j s GLN 67 Ca 0.53 -0.84 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 3i9j s GLN 67 Cb -0.28 -2.19 -0.11 0.00 1.00 0.00 0.00 33.01 31.43 3i9j s GLN 67 CO 0.35 0.53 1.43 -1.14 -2.12 0.00 0.00 175.29 174.34 3i9j s GLN 68 N -0.52 4.18 0.03 2.91 0.74 -1.26 -5.01 119.66 120.73 3i9j s GLN 68 Ca 0.07 2.46 0.05 0.00 0.05 0.00 0.00 55.36 57.99 3i9j s GLN 68 Cb -0.11 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 3i9j s GLN 68 CO 0.01 -0.43 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.69 3i9j s LEU 69 N -2.01 2.92 0.17 3.68 1.43 -1.26 -4.48 118.68 119.12 3i9j s LEU 69 Ca 0.52 -0.28 -0.32 0.00 -1.03 0.00 0.00 54.13 53.02 3i9j s LEU 69 Cb -0.44 -1.69 -0.11 0.00 0.03 0.00 0.00 46.19 43.98 3i9j s LEU 69 CO 0.60 0.26 1.66 -2.16 0.23 0.00 0.00 176.35 176.94 3i9j s PRO 70 N -1.48 4.17 0.17 1.29 0.05 -1.26 -4.81 135.00 133.14 3i9j s PRO 70 Ca 0.16 2.47 -0.33 0.00 0.05 0.00 0.00 61.00 63.35 3i9j s PRO 70 Cb -0.11 -3.22 -0.15 0.00 0.05 0.00 0.00 34.50 31.08 3i9j s PRO 70 CO 0.07 -0.70 1.36 1.63 0.05 0.00 0.00 177.00 179.41 3i9j n LYS 71 N 4.33 1.63 -0.43 4.56 5.02 -1.26 -2.61 118.16 129.40 3i9j n LYS 71 Ca 0.15 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3i9j n LYS 71 Cb 0.37 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 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 2.44 0.00 -0.30 4.39 3.02 -0.93 -4.86 115.26 119.02 3i9j n ASN 72 Ca 0.15 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3i9j n ASN 72 Cb 0.26 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 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 -2.00 1.84 -2.78 3.52 4.76 -1.07 -4.69 118.16 117.74 3i9j n LYS 73 Ca 0.00 -0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 54.34 3i9j n LYS 73 Cb 0.00 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 3i9j n LYS 73 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i9j s VAL 74 N -1.78 4.46 -0.02 -0.18 1.01 -1.26 -1.42 120.40 121.22 3i9j s VAL 74 Ca 0.11 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.15 3i9j s VAL 74 Cb 0.11 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3i9j s VAL 74 CO 0.37 0.36 -0.21 -0.32 0.00 0.00 0.00 175.10 175.31 3i9j s MET 75 N -0.24 1.69 0.29 2.72 0.00 0.19 -2.11 119.30 121.84 3i9j s MET 75 Ca 0.44 -0.75 0.10 0.00 0.00 0.00 0.00 55.69 55.49 3i9j s MET 75 Cb -0.23 -1.64 -0.05 0.00 0.00 0.00 0.00 34.83 32.91 3i9j s MET 75 CO 0.29 0.45 -0.08 -0.06 0.00 0.00 0.00 175.02 175.62 3i9j s PHE 76 N -0.49 2.51 -0.00 4.11 0.08 0.44 -4.50 117.98 120.12 3i9j s PHE 76 Ca 0.08 -0.31 -0.21 0.00 0.12 0.00 0.00 56.93 56.61 3i9j s PHE 76 Cb -0.08 -1.18 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 3i9j s PHE 76 CO -0.01 0.63 0.47 1.67 -0.10 0.00 0.00 175.22 177.88 3i9j s TRP 77 N -2.44 -0.37 -0.03 0.36 1.48 -1.26 -1.47 118.94 115.21 3i9j s TRP 77 Ca 0.32 0.54 0.01 0.00 -1.06 0.00 0.00 56.10 55.90 3i9j s TRP 77 Cb -0.04 0.25 0.02 0.00 -1.16 0.00 0.00 33.47 32.54 3i9j s TRP 77 CO 0.18 -0.53 -0.00 -1.12 -4.06 0.00 0.00 176.95 171.42 3i9j s SER 78 N -1.52 0.43 0.00 -2.66 0.01 -0.84 -4.84 113.70 104.28 3i9j s SER 78 Ca -0.10 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3i9j s SER 78 Cb -0.02 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3i9j s SER 78 CO 0.04 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.21 3i9j n GLY 79 N 4.05 0.96 2.65 3.44 0.00 -1.26 -3.84 105.19 111.18 3i9j n GLY 79 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.03 1.42 -0.18 1.61 0.24 -1.26 -4.84 118.33 113.28 3i9j n VAL 80 Ca 0.00 -3.32 -0.02 0.00 -2.04 0.00 0.00 64.34 58.96 3i9j n VAL 80 Cb 0.00 0.54 0.04 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.39 -0.12 6.34 5.03 -1.96 -0.22 116.97 128.35 3i9j h TYR 81 Ca -0.02 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 3i9j h TYR 81 Cb 1.23 0.26 -0.00 0.00 1.55 0.00 0.00 36.73 39.77 3i9j h TYR 81 CO 0.57 -0.27 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.66 3i9j h ASP 82 N -0.04 0.25 -0.82 -2.11 3.32 -2.00 -2.52 116.42 112.50 3i9j h ASP 82 Ca 0.26 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3i9j h ASP 82 Cb 0.44 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3i9j h ASP 82 CO -0.59 0.59 0.37 -0.33 -1.72 0.00 0.00 179.24 177.56 3i9j h GLU 83 N -0.08 1.20 -0.33 3.56 3.07 -1.91 -0.68 114.58 119.41 3i9j h GLU 83 Ca 0.03 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 3i9j h GLU 83 Cb 0.48 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3i9j h GLU 83 CO 0.01 0.94 -0.07 0.00 -1.40 0.00 0.00 179.01 178.50 3i9j h ALA 84 N 1.22 0.45 0.00 3.43 0.00 -1.01 -1.65 119.26 121.70 3i9j h ALA 84 Ca 0.28 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3i9j h ALA 84 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i9j h ALA 84 CO -0.03 0.27 -0.91 0.45 0.00 0.00 0.00 179.25 179.03 3i9j h HIS 85 N 0.40 0.47 -0.64 0.00 3.86 -1.35 0.21 115.15 118.10 3i9j h HIS 85 Ca 0.08 -0.26 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 3i9j h HIS 85 Cb 0.55 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 3i9j h HIS 85 CO 0.05 1.07 0.40 -0.44 0.86 0.00 0.00 177.93 179.88 3i9j h ASP 86 N 0.18 0.68 0.05 2.45 3.32 -1.13 -1.70 116.42 120.27 3i9j h ASP 86 Ca -0.06 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 3i9j h ASP 86 Cb 1.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3i9j h ASP 86 CO 0.15 0.48 -0.79 0.22 -1.72 0.00 0.00 179.24 177.58 3i9j h TYR 87 N 0.81 0.84 -0.74 4.55 3.20 -1.05 -2.95 116.97 121.64 3i9j h TYR 87 Ca 0.25 -0.38 0.14 0.00 3.14 0.00 0.00 58.73 61.87 3i9j h TYR 87 Cb -0.03 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3i9j h TYR 87 CO -0.04 1.18 0.49 0.00 -1.64 0.00 0.00 178.16 178.15 3i9j h ALA 88 N 0.71 2.06 -5.58 1.82 0.00 -0.47 -3.43 119.26 114.37 3i9j h ALA 88 Ca -0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 3i9j h ALA 88 Cb 1.39 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 19.29 3i9j h ALA 88 CO 0.15 -0.25 -0.81 -1.71 0.00 0.00 0.00 179.25 176.63 3i9j n ASN 89 N -4.48 -3.90 -4.04 0.00 4.05 -0.65 -1.44 115.26 104.80 3i9j n ASN 89 Ca 0.14 -0.66 -0.31 0.00 0.45 0.00 0.00 54.58 54.19 3i9j n ASN 89 Cb 0.49 -5.13 -0.00 0.00 1.23 0.00 0.00 39.78 36.37 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 -3.77 -1.93 -0.02 -0.44 -1.04 -1.26 -1.59 114.28 104.23 3i9j n THR 90 Ca -0.20 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3i9j n THR 90 Cb 0.65 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.61 0.35 0.08 3.41 0.00 -1.18 -4.93 105.19 101.31 3i9j n GLY 91 Ca -0.02 0.00 -0.12 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 4.01 0.14 0.00 1.61 -0.00 -1.23 -3.40 114.38 115.52 3i9j h ARG 92 Ca 0.00 -0.25 -0.36 0.00 -0.50 0.00 0.00 59.98 58.88 3i9j h ARG 92 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 29.97 30.01 3i9j h ARG 92 CO 0.00 1.10 -2.22 1.17 0.00 0.00 0.00 179.97 180.02 3i9j n LYS 93 N -3.44 0.48 -4.29 0.04 4.81 -0.52 -5.04 118.16 110.20 3i9j n LYS 93 Ca -0.05 0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.42 3i9j n LYS 93 Cb 0.99 -1.32 -0.10 0.00 0.02 0.00 0.00 35.03 34.62 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 -2.41 1.40 -0.13 5.64 2.02 -0.98 -4.92 117.35 117.97 3i9j s TYR 94 Ca -0.30 -0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 55.47 3i9j s TYR 94 Cb 0.11 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3i9j s TYR 94 CO 0.41 -0.03 0.00 0.42 -1.57 0.00 0.00 175.55 174.78 3i9j s ILE 95 N -3.43 4.27 0.36 2.71 -1.09 -0.51 -3.11 121.20 120.40 3i9j s ILE 95 Ca 0.24 -0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 3i9j s ILE 95 Cb 0.05 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.04 3i9j s ILE 95 CO 0.05 0.53 0.19 0.42 -1.23 0.00 0.00 174.94 174.90 3i9j s THR 96 N -0.15 2.91 0.30 2.92 -4.23 -1.26 -0.64 115.64 115.48 3i9j s THR 96 Ca 0.05 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3i9j s THR 96 Cb -0.13 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.00 3i9j s THR 96 CO 0.02 -0.13 1.75 0.25 -0.54 0.00 0.00 174.62 175.96 3i9j h LEU 97 N 1.45 0.62 0.00 4.79 5.85 -1.99 -0.29 115.31 125.74 3i9j h LEU 97 Ca -0.43 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3i9j h LEU 97 Cb 1.25 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3i9j h LEU 97 CO 0.63 0.17 0.00 -0.62 -0.34 0.00 0.00 178.44 178.28 3i9j n GLU 98 N -4.87 0.01 0.00 1.25 4.71 -1.26 -2.17 120.64 118.31 3i9j n GLU 98 Ca 0.23 0.35 0.12 0.00 -0.01 0.00 0.00 57.16 57.84 3i9j n GLU 98 Cb 0.60 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.72 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 -1.48 1.66 -4.95 1.62 8.00 -0.12 -3.68 116.55 117.60 3i9j n ASP 99 Ca 0.02 -1.29 -0.23 0.00 0.71 0.00 0.00 54.79 54.00 3i9j n ASP 99 Cb 0.09 0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.43 3.74 0.18 -3.53 -4.23 -0.92 -4.88 115.64 103.56 3i9j s THR 100 Ca 0.23 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 3i9j s THR 100 Cb 0.19 -3.39 0.08 0.00 1.34 0.00 0.00 72.50 70.71 3i9j s THR 100 CO 0.52 -0.29 1.74 0.25 -0.54 0.00 0.00 174.62 176.30 3i9j h LEU 101 N 0.30 0.10 -0.30 4.79 5.85 -1.87 -1.56 115.31 122.62 3i9j h LEU 101 Ca -0.45 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.13 3i9j h LEU 101 Cb 1.26 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3i9j h LEU 101 CO 0.57 0.09 -0.68 1.55 -0.34 0.00 0.00 178.44 179.62 3i9j h PRO 102 N 0.29 0.69 -0.65 5.25 0.13 -1.88 -0.15 132.00 135.68 3i9j h PRO 102 Ca 0.22 -0.52 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 3i9j h PRO 102 Cb 0.25 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 3i9j h PRO 102 CO -0.25 1.14 0.13 0.78 -0.23 0.00 0.00 178.00 179.56 3i9j h GLY 103 N 0.82 1.13 1.46 1.56 0.00 -1.66 -2.15 103.07 104.23 3i9j h GLY 103 Ca -0.02 -0.72 -0.24 0.00 0.00 0.00 0.00 47.33 46.35 3i9j h GLY 103 CO 0.14 0.67 -0.99 -1.82 0.00 0.00 0.00 176.54 174.53 3i9j h TYR 104 N 0.99 0.72 -0.63 5.60 5.03 -1.19 0.13 116.97 127.62 3i9j h TYR 104 Ca 0.20 -0.40 -0.06 0.00 2.58 0.00 0.00 58.73 61.05 3i9j h TYR 104 Cb 0.39 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 3i9j h TYR 104 CO 0.03 1.23 0.16 0.52 -1.32 0.00 0.00 178.16 178.78 3i9j h MET 105 N 0.26 1.00 -0.02 1.82 2.86 -0.87 -3.29 114.93 116.70 3i9j h MET 105 Ca -0.10 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3i9j h MET 105 Cb 1.64 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.16 3i9j h MET 105 CO 0.18 0.90 -0.38 1.28 1.06 0.00 0.00 176.91 179.95 3i9j n LEU 106 N -4.33 2.01 -4.69 1.22 7.99 -0.82 -4.84 117.00 113.54 3i9j n LEU 106 Ca 0.04 -0.79 -0.53 0.00 -0.01 0.00 0.00 56.01 54.72 3i9j n LEU 106 Cb 0.24 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.49 3i9j n LEU 106 CO 0.41 0.37 1.35 -3.20 -1.51 0.00 0.00 177.39 174.81 3i9j n ASN 107 N 0.09 2.79 0.00 -1.43 5.15 0.43 -0.44 115.26 121.86 3i9j n ASN 107 Ca 0.09 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 3i9j n ASN 107 Cb 0.44 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 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 5.49 0.00 -4.84 1.20 7.64 -1.26 -5.01 113.62 116.84 3i9j n SER 108 Ca 0.24 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 3i9j n SER 108 Cb 0.21 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 3.77 -0.13 -3.43 1.43 0.41 -5.04 118.68 115.69 3i9j s LEU 109 Ca 0.00 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 3i9j s LEU 109 Cb 0.00 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.74 3i9j s LEU 109 CO 0.00 -0.48 -0.22 -0.69 0.23 0.00 0.00 176.35 175.19 3i9j s VAL 110 N -2.43 2.11 0.12 -1.59 1.01 -1.26 -4.98 120.40 113.39 3i9j s VAL 110 Ca 0.60 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 3i9j s VAL 110 Cb -0.10 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3i9j s VAL 110 CO 0.24 0.55 0.36 -1.66 0.00 0.00 0.00 175.10 174.59 3i9j s TRP 111 N 0.65 -0.14 -0.11 5.22 -2.14 -1.26 -1.10 118.94 120.05 3i9j s TRP 111 Ca -0.11 -0.19 -0.30 0.00 2.66 0.00 0.00 56.10 58.16 3i9j s TRP 111 Cb -0.16 0.20 0.10 0.00 -3.10 0.00 0.00 33.47 30.51 3i9j s TRP 111 CO 0.02 -0.67 0.84 0.00 -2.66 0.00 0.00 176.95 174.48 3i9j s GLY 113 N -1.07 2.06 0.18 0.00 0.00 -1.26 -0.87 107.32 106.36 3i9j s GLY 113 Ca -0.06 0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 3i9j s GLY 113 CO 0.05 0.51 0.11 -0.86 0.00 0.00 0.00 173.10 172.91 3i9j s GLN 114 N -4.13 1.14 0.22 2.90 -2.07 -1.00 -3.23 119.66 113.50 3i9j s GLN 114 Ca 0.60 -1.59 0.23 0.00 -1.82 0.00 0.00 55.36 52.78 3i9j s GLN 114 Cb -0.12 0.25 0.06 0.00 -1.09 0.00 0.00 33.01 32.12 3i9j s GLN 114 CO 0.34 -0.36 1.12 0.00 -1.32 0.00 0.00 175.29 175.08 3i9j h ARG 115 N 2.68 0.00 -7.02 9.60 3.08 -1.83 -3.10 114.38 117.79 3i9j h ARG 115 Ca -0.36 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.22 3i9j h ARG 115 Cb 1.24 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.34 3i9j h ARG 115 CO 0.55 0.00 0.12 0.00 -1.07 0.00 0.00 179.97 179.57 3i9j s ALA 116 N -3.33 3.39 0.41 0.04 0.00 -1.26 -4.78 121.76 116.23 3i9j s ALA 116 Ca 0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 3i9j s ALA 116 Cb 0.09 -2.52 -0.11 0.00 0.00 0.00 0.00 23.12 20.58 3i9j s ALA 116 CO 0.77 -0.68 1.03 0.09 0.00 0.00 0.00 175.76 176.98 3i9j n ASN 117 N -2.46 1.37 -1.54 0.00 5.03 -1.26 0.10 115.26 116.50 3i9j n ASN 117 Ca 0.04 1.05 -0.04 0.00 0.87 0.00 0.00 54.58 56.49 3i9j n ASN 117 Cb 0.57 -1.36 0.19 0.00 -1.02 0.00 0.00 39.78 38.16 3i9j n ASN 117 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3i9j n PRO 118 N 0.17 2.66 -0.39 3.52 -0.04 -1.26 -4.90 135.00 134.76 3i9j n PRO 118 Ca 0.09 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 3i9j n PRO 118 Cb 0.39 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.02 1.17 3.24 0.55 0.00 0.29 -4.89 105.19 105.52 3i9j n GLY 119 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.01 1.21 -0.39 1.61 -0.71 -1.26 -1.34 117.98 114.09 3i9j s PHE 120 Ca 0.00 -0.83 -0.15 0.00 -1.04 0.00 0.00 56.93 54.91 3i9j s PHE 120 Cb 0.00 -0.65 0.01 0.00 -1.21 0.00 0.00 43.02 41.17 3i9j s PHE 120 CO 0.00 -0.00 0.33 1.21 -1.34 0.00 0.00 175.22 175.41 3i9j s ASN 121 N -3.16 6.13 0.00 1.98 3.04 -0.05 -4.60 114.94 118.28 3i9j s ASN 121 Ca 0.17 -0.67 0.29 0.00 0.04 0.00 0.00 52.86 52.69 3i9j s ASN 121 Cb 0.04 -2.17 1.22 0.00 -1.54 0.00 0.00 41.25 38.79 3i9j s ASN 121 CO 0.01 -0.42 1.92 -0.62 -3.04 0.00 0.00 177.10 174.94 3i9j n GLU 122 N 5.28 0.00 -0.11 0.43 1.02 -1.26 -4.47 120.64 121.52 3i9j n GLU 122 Ca -0.10 0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.84 3i9j n GLU 122 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.51 0.56 -3.87 3.49 4.76 -1.26 -4.63 118.16 115.70 3i9j n LYS 123 Ca 0.07 0.31 -0.11 0.00 -2.87 0.00 0.00 58.31 55.71 3i9j n LYS 123 Cb 0.34 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.59 0.06 -0.02 -0.18 0.11 -1.26 -4.39 120.40 112.14 3i9j s VAL 124 Ca -0.33 -0.49 0.04 0.00 -2.93 0.00 0.00 61.98 58.27 3i9j s VAL 124 Cb 0.09 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3i9j s VAL 124 CO 0.46 -0.27 -0.13 0.00 -3.33 0.00 0.00 175.10 171.84 3i9j s PRO 126 N -0.20 3.57 0.19 0.00 0.02 -1.26 -2.53 135.00 134.79 3i9j s PRO 126 Ca 0.03 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.38 3i9j s PRO 126 Cb -0.06 -2.19 -0.14 0.00 0.02 0.00 0.00 34.50 32.13 3i9j s PRO 126 CO -0.00 -0.68 1.46 -3.47 -0.33 0.00 0.00 177.00 173.97 3i9j n ASP 127 N -0.92 2.72 0.09 2.53 2.03 -1.26 -4.74 116.55 117.00 3i9j n ASP 127 Ca 0.10 1.11 0.13 0.00 0.52 0.00 0.00 54.79 56.65 3i9j n ASP 127 Cb 0.50 -1.39 0.43 0.00 -0.72 0.00 0.00 41.12 39.93 3i9j n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i9j n PHE 128 N 2.58 0.77 0.00 -0.67 3.01 -1.26 -2.43 117.46 119.46 3i9j n PHE 128 Ca 0.15 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.83 3i9j n PHE 128 Cb 0.29 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 3i9j n PHE 128 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i9j n LYS 129 N -2.14 0.00 0.04 -1.08 5.02 -1.26 -1.88 118.16 116.86 3i9j n LYS 129 Ca 0.06 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.79 3i9j n LYS 129 Cb 0.42 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.13 3i9j n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3i9j n THR 130 N -1.32 0.23 -3.40 -0.18 -2.24 -1.02 -4.94 114.28 101.40 3i9j n THR 130 Ca 0.00 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 3i9j n THR 130 Cb 0.00 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 3i9j n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9j s PRO 132 N -4.31 2.01 0.24 0.00 0.02 -1.26 -4.63 135.00 127.07 3i9j s PRO 132 Ca 0.40 1.89 -0.07 0.00 0.02 0.00 0.00 61.00 63.24 3i9j s PRO 132 Cb -0.10 -1.80 0.25 0.00 0.02 0.00 0.00 34.50 32.87 3i9j s PRO 132 CO 0.35 -1.96 1.90 -0.24 -0.33 0.00 0.00 177.00 176.72 3i9j h VAL 133 N -0.30 1.18 -0.07 3.83 3.04 -1.97 -0.56 116.25 121.40 3i9j h VAL 133 Ca -0.48 -0.40 0.02 0.00 -1.01 0.00 0.00 66.70 64.83 3i9j h VAL 133 Cb 1.31 -0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3i9j h VAL 133 CO 0.49 0.21 0.08 0.06 -1.01 0.00 0.00 177.57 177.40 3i9j h GLN 134 N 1.17 0.00 0.04 4.17 -0.00 -1.91 -0.92 115.11 117.65 3i9j h GLN 134 Ca 0.34 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.68 3i9j h GLN 134 Cb -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.38 3i9j h GLN 134 CO -0.10 0.00 -1.74 0.00 -0.00 0.00 0.00 178.83 176.99 3i9j n ALA 135 N -2.32 0.92 0.29 0.06 0.00 -0.56 -2.51 120.51 116.39 3i9j n ALA 135 Ca -0.01 -0.65 0.16 0.00 0.00 0.00 0.00 53.44 52.94 3i9j n ALA 135 Cb 0.18 -0.46 0.88 0.00 0.00 0.00 0.00 19.45 20.05 3i9j n ALA 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i9j h ARG 136 N -0.63 0.00 -0.39 0.00 0.11 -1.04 -2.76 114.38 109.67 3i9j h ARG 136 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3i9j h ARG 136 Cb 1.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.68 3i9j h ARG 136 CO -0.15 0.05 0.00 0.39 0.10 0.00 0.00 179.97 180.36 3i9j n GLU 137 N -3.45 2.95 -0.16 0.08 1.02 -0.36 -4.72 120.64 116.01 3i9j n GLU 137 Ca -0.02 -2.33 -0.09 0.00 -0.02 0.00 0.00 57.16 54.70 3i9j n GLU 137 Cb 0.18 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 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 2.36 -1.43 0.19 1.62 0.87 -1.18 -0.41 113.55 115.56 3i9j h SER 138 Ca 0.00 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3i9j h SER 138 Cb 0.95 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 3i9j h SER 138 CO 0.06 -0.35 -0.09 0.15 -0.53 0.00 0.00 176.83 176.07 3i9j h PHE 139 N -0.29 -0.23 0.00 2.24 3.57 -1.84 -3.10 116.94 117.28 3i9j h PHE 139 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3i9j h PHE 139 Cb 0.57 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3i9j h PHE 139 CO -0.65 -0.15 -0.20 -1.49 -2.23 0.00 0.00 178.31 173.60 3i9j h TRP 140 N -0.56 0.00 -0.03 0.41 4.06 -1.89 -1.67 115.95 116.26 3i9j h TRP 140 Ca -0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3i9j h TRP 140 Cb 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 3i9j h TRP 140 CO 0.04 0.20 0.00 0.78 -3.56 0.00 0.00 178.44 175.90 3i9j h GLY 141 N 1.53 0.06 1.39 1.49 0.00 -1.20 -2.02 103.07 104.31 3i9j h GLY 141 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3i9j h GLY 141 CO 0.03 0.04 0.29 1.98 0.00 0.00 0.00 176.54 178.87 3i9j h MET 142 N -0.23 0.80 0.51 4.80 1.85 -1.43 -1.35 114.93 119.88 3i9j h MET 142 Ca 0.01 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 3i9j h MET 142 Cb 0.31 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 3i9j h MET 142 CO 0.00 0.61 -0.37 0.00 -0.40 0.00 0.00 176.91 176.75 3i9j h ALA 143 N 1.51 -0.89 -0.64 0.39 0.00 -1.30 -0.38 119.26 117.96 3i9j h ALA 143 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i9j h ALA 143 Cb 0.06 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3i9j h ALA 143 CO -0.03 -1.02 0.42 0.77 0.00 0.00 0.00 179.25 179.39 3i9j h SER 144 N -0.86 0.65 0.45 0.00 0.02 -1.29 -2.21 113.55 110.31 3i9j h SER 144 Ca -0.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3i9j h SER 144 Cb 0.72 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3i9j h SER 144 CO 0.01 0.45 -0.22 0.28 -1.14 0.00 0.00 176.83 176.22 3i9j h SER 145 N 0.76 -0.51 -0.85 3.07 0.02 -1.01 -2.05 113.55 112.98 3i9j h SER 145 Ca 0.25 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3i9j h SER 145 Cb 0.07 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3i9j h SER 145 CO -0.07 -0.26 0.56 0.28 -1.14 0.00 0.00 176.83 176.19 3i9j h SER 146 N -0.73 0.86 0.20 3.07 0.02 -0.97 -2.06 113.55 113.94 3i9j h SER 146 Ca -0.06 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3i9j h SER 146 Cb 0.53 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3i9j h SER 146 CO 0.10 0.57 -0.10 0.22 -1.14 0.00 0.00 176.83 176.48 3i9j h TYR 147 N 0.99 -0.25 -0.87 3.45 3.20 -1.36 -2.22 116.97 119.91 3i9j h TYR 147 Ca 0.36 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.33 3i9j h TYR 147 Cb 0.15 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 3i9j h TYR 147 CO -0.00 0.13 0.56 0.00 -1.64 0.00 0.00 178.16 177.21 3i9j h ALA 148 N -0.05 1.73 -0.04 1.82 0.00 -1.40 -1.54 119.26 119.77 3i9j h ALA 148 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3i9j h ALA 148 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i9j h ALA 148 CO 0.05 0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.36 3i9j h HIS 149 N 0.79 0.08 0.00 0.00 -0.00 -0.85 -2.53 115.15 112.63 3i9j h HIS 149 Ca 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 3i9j h HIS 149 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 3i9j h HIS 149 CO -0.00 0.33 -0.25 0.43 -0.00 0.00 0.00 177.93 178.44 3i9j n SER 150 N -4.20 0.26 -4.77 3.26 7.64 -0.59 -4.67 113.62 110.54 3i9j n SER 150 Ca -0.02 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 3i9j n SER 150 Cb 0.33 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.00 3.60 0.06 -0.43 0.00 -0.95 -4.54 121.76 116.49 3i9j s ALA 151 Ca 0.12 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.68 3i9j s ALA 151 Cb 0.18 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3i9j s ALA 151 CO 0.62 -1.04 -0.09 -1.21 0.00 0.00 0.00 175.76 174.03 3i9j s GLU 152 N -1.85 0.65 6.01 0.00 2.02 -1.26 -4.46 118.70 119.80 3i9j s GLU 152 Ca 0.54 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3i9j s GLU 152 Cb -0.47 -0.42 0.00 0.00 0.10 0.00 0.00 34.13 33.34 3i9j s GLU 152 CO 0.61 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.37 3i9j n GLY 153 N 1.18 2.32 3.75 -1.39 0.00 0.50 -2.19 105.19 109.36 3i9j n GLY 153 Ca -0.21 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 4.67 0.18 1.61 2.02 -1.26 -1.15 118.70 124.77 3i9j s GLU 154 Ca 0.00 1.69 0.11 0.00 0.02 0.00 0.00 54.97 56.79 3i9j s GLU 154 Cb 0.00 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 3i9j s GLU 154 CO 0.00 0.22 -0.23 0.14 0.02 0.00 0.00 175.26 175.41 3i9j s VAL 155 N -0.76 2.23 0.04 2.63 -7.23 -0.94 -3.60 120.40 112.76 3i9j s VAL 155 Ca 0.46 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.72 3i9j s VAL 155 Cb -0.29 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 3i9j s VAL 155 CO 0.36 -0.14 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.90 3i9j s THR 156 N -1.70 2.49 -0.12 5.32 2.01 -0.90 -1.55 115.64 121.20 3i9j s THR 156 Ca 0.19 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 3i9j s THR 156 Cb -0.08 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.47 3i9j s THR 156 CO 0.09 0.37 0.01 -0.47 -0.69 0.00 0.00 174.62 173.93 3i9j s TYR 157 N -0.85 0.84 -0.12 4.92 5.04 -0.24 -0.42 117.35 126.52 3i9j s TYR 157 Ca 0.13 -0.46 -0.08 0.00 -2.44 0.00 0.00 57.07 54.22 3i9j s TYR 157 Cb -0.10 -0.91 -0.04 0.00 0.35 0.00 0.00 41.96 41.26 3i9j s TYR 157 CO 0.03 -0.45 0.16 1.41 -1.34 0.00 0.00 175.55 175.36 3i9j s MET 158 N 1.92 3.56 0.21 4.97 -2.45 -0.54 0.00 119.30 126.98 3i9j s MET 158 Ca 0.03 -0.10 -0.06 0.00 -1.25 0.00 0.00 55.69 54.31 3i9j s MET 158 Cb -0.14 -3.22 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 3i9j s MET 158 CO -0.06 0.71 0.27 0.14 1.05 0.00 0.00 175.02 177.12 3i9j s VAL 159 N -0.86 0.01 -0.29 10.11 -7.23 -0.41 -1.98 120.40 119.75 3i9j s VAL 159 Ca 0.15 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 3i9j s VAL 159 Cb -0.12 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 3i9j s VAL 159 CO 0.04 -0.05 0.18 -0.62 -0.31 0.00 0.00 175.10 174.34 3i9j s ASP 160 N -3.08 5.88 -0.22 4.85 -1.08 -1.25 -0.85 116.67 120.91 3i9j s ASP 160 Ca 0.30 -0.18 0.15 0.00 -0.52 0.00 0.00 52.55 52.30 3i9j s ASP 160 Cb 0.04 -2.09 0.75 0.00 -1.46 0.00 0.00 42.92 40.16 3i9j s ASP 160 CO 0.09 -0.11 1.67 0.61 0.52 0.00 0.00 175.17 177.96 3i9j n GLY 161 N 5.05 3.27 0.07 2.66 0.00 0.34 -4.00 105.19 112.58 3i9j n GLY 161 Ca -0.14 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 0.33 2.22 -4.34 1.61 7.64 -1.25 0.11 113.62 119.95 3i9j n SER 162 Ca 0.26 -2.49 -0.39 0.00 1.01 0.00 0.00 58.87 57.26 3i9j n SER 162 Cb 1.13 -0.20 -0.12 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.82 5.56 0.00 6.43 3.84 -1.26 -4.83 114.94 122.86 3i9j s ASN 163 Ca 0.15 -1.01 0.14 0.00 0.21 0.00 0.00 52.86 52.35 3i9j s ASN 163 Cb 0.13 -1.96 0.67 0.00 -0.55 0.00 0.00 41.25 39.53 3i9j s ASN 163 CO 0.02 -0.35 1.43 -0.81 -2.79 0.00 0.00 177.10 174.60 3i9j n PRO 164 N 4.93 0.09 0.00 0.43 -0.04 -1.26 -2.84 135.00 136.31 3i9j n PRO 164 Ca -0.12 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 3i9j n PRO 164 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3i9j n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9j n LYS 165 N -1.41 3.41 -3.61 0.54 5.02 -1.26 -4.92 118.16 115.93 3i9j n LYS 165 Ca 0.05 -0.27 -0.24 0.00 -2.02 0.00 0.00 58.31 55.82 3i9j n LYS 165 Cb 0.15 -0.80 -0.17 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.84 -0.11 0.38 -0.18 1.01 -1.13 -5.14 120.40 114.39 3i9j s VAL 166 Ca 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 3i9j s VAL 166 Cb 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 36.38 35.77 3i9j s VAL 166 CO 0.08 -0.21 1.11 -2.65 0.00 0.00 0.00 175.10 173.43 3i9j n PRO 167 N 5.29 1.61 -0.29 2.72 -0.02 -1.26 -4.57 135.00 138.47 3i9j n PRO 167 Ca -0.06 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3i9j n PRO 167 Cb 0.49 -2.12 0.22 0.00 -0.02 0.00 0.00 33.50 32.07 3i9j n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9j h ALA 168 N 1.93 0.99 -3.23 3.55 0.00 -1.91 -3.37 119.26 117.22 3i9j h ALA 168 Ca -0.44 0.26 -0.63 0.00 0.00 0.00 0.00 54.91 54.10 3i9j h ALA 168 Cb 1.32 0.44 -0.34 0.00 0.00 0.00 0.00 17.79 19.21 3i9j h ALA 168 CO 0.59 -0.46 -0.85 -0.47 0.00 0.00 0.00 179.25 178.06 3i9j s TYR 169 N -6.05 2.32 -0.04 0.00 5.04 -1.26 -4.72 117.35 112.64 3i9j s TYR 169 Ca -0.13 -1.15 0.06 0.00 -2.44 0.00 0.00 57.07 53.42 3i9j s TYR 169 Cb 0.25 -1.62 -0.01 0.00 0.35 0.00 0.00 41.96 40.92 3i9j s TYR 169 CO 0.76 -0.55 -0.23 1.03 -1.34 0.00 0.00 175.55 175.22 3i9j s ARG 170 N 0.93 2.16 0.55 4.97 0.52 -1.26 -4.84 118.95 121.98 3i9j s ARG 170 Ca -0.06 -0.82 0.37 0.00 -0.52 0.00 0.00 55.73 54.69 3i9j s ARG 170 Cb -0.15 -1.92 1.89 0.00 0.52 0.00 0.00 34.95 35.28 3i9j s ARG 170 CO -0.02 0.40 2.12 -1.35 0.02 0.00 0.00 175.30 176.47 3i9j h PRO 171 N 5.90 0.00 -0.67 3.54 0.11 -1.98 -2.90 132.00 135.99 3i9j h PRO 171 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3i9j h PRO 171 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i9j h PRO 171 CO 0.47 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 3i9j n ASP 172 N -2.88 4.31 -4.79 -2.05 8.00 -1.26 -3.34 116.55 114.54 3i9j n ASP 172 Ca -0.02 -2.23 -0.30 0.00 0.71 0.00 0.00 54.79 52.96 3i9j n ASP 172 Cb 0.13 -0.52 0.10 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.97 4.27 0.39 -2.24 1.04 -1.10 -4.79 113.70 110.31 3i9j s SER 173 Ca 0.49 1.30 0.14 0.00 0.48 0.00 0.00 55.95 58.36 3i9j s SER 173 Cb 0.29 -2.02 0.97 0.00 0.10 0.00 0.00 66.02 65.36 3i9j s SER 173 CO 0.28 -2.11 1.87 -0.26 0.98 0.00 0.00 173.24 174.00 3i9j h PHE 174 N -1.19 0.65 -0.17 5.02 -1.00 -1.92 0.14 116.94 118.47 3i9j h PHE 174 Ca -0.48 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.31 3i9j h PHE 174 Cb 1.28 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 3i9j h PHE 174 CO 0.44 0.21 0.04 0.35 -1.61 0.00 0.00 178.31 177.74 3i9j h PHE 175 N 0.52 0.29 0.00 -0.55 3.57 -1.90 -0.90 116.94 117.97 3i9j h PHE 175 Ca 0.45 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3i9j h PHE 175 Cb 0.95 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3i9j h PHE 175 CO -0.00 0.41 -0.34 0.78 -2.23 0.00 0.00 178.31 176.92 3i9j h GLY 176 N 0.09 0.00 0.81 2.40 0.00 -1.62 -0.11 103.07 104.64 3i9j h GLY 176 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.09 3i9j h GLY 176 CO 0.00 0.00 -1.44 0.50 0.00 0.00 0.00 176.54 175.60 3i9j h LYS 177 N 0.00 0.36 0.00 4.80 1.57 -0.67 -3.43 116.57 119.20 3i9j h LYS 177 Ca -0.00 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 3i9j h LYS 177 Cb 0.73 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3i9j h LYS 177 CO 0.04 1.29 -0.90 0.66 -0.57 0.00 0.00 179.45 179.97 3i9j n TYR 178 N -3.82 0.00 -0.01 -1.35 4.01 -0.36 -4.81 117.16 110.82 3i9j n TYR 178 Ca -0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.51 3i9j n TYR 178 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.01 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 -1.78 0.07 -0.24 -0.72 1.02 -0.21 -4.21 120.64 114.58 3i9j n GLU 179 Ca 0.00 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3i9j n GLU 179 Cb 0.39 -0.65 0.02 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.14 -1.18 0.00 -4.62 5.85 -1.44 0.97 115.31 114.75 3i9j h LEU 180 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3i9j h LEU 180 Cb 0.14 0.60 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3i9j h LEU 180 CO 0.00 -0.30 0.00 -2.65 -0.34 0.00 0.00 178.44 175.15 3i9j n PRO 181 N -5.44 0.01 0.00 5.25 -0.02 -1.26 -2.88 135.00 130.66 3i9j n PRO 181 Ca 0.06 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3i9j n PRO 181 Cb 0.36 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 3i9j n PRO 181 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i9j n ASN 182 N -1.48 2.44 -4.75 2.55 3.02 0.33 -4.97 115.26 112.40 3i9j n ASN 182 Ca 0.02 -1.72 -0.40 0.00 -0.03 0.00 0.00 54.58 52.45 3i9j n ASN 182 Cb 0.10 0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.85 4.57 0.70 3.41 1.43 -1.14 -4.06 118.68 121.74 3i9j s LEU 183 Ca 0.21 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 3i9j s LEU 183 Cb 0.16 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.89 3i9j s LEU 183 CO 0.32 -0.06 0.96 0.42 0.23 0.00 0.00 176.35 178.22 3i9j s THR 184 N -1.00 2.06 -1.93 5.49 -4.23 -1.26 -4.96 115.64 109.81 3i9j s THR 184 Ca 0.44 -0.72 0.16 0.00 -1.18 0.00 0.00 61.69 60.39 3i9j s THR 184 Cb -0.30 -2.34 0.44 0.00 1.34 0.00 0.00 72.50 71.64 3i9j s THR 184 CO 0.37 0.00 1.38 -0.46 -0.54 0.00 0.00 174.62 175.37 3i9j n ASN 185 N -2.71 0.00 0.14 3.99 6.94 -1.26 -1.49 115.26 120.88 3i9j n ASN 185 Ca 0.16 -0.43 0.13 0.00 -0.02 0.00 0.00 54.58 54.41 3i9j n ASN 185 Cb 0.61 -0.03 0.49 0.00 -2.36 0.00 0.00 39.78 38.48 3i9j n ASN 185 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3i9j h LYS 186 N 0.00 0.00 -6.14 -3.83 1.57 -1.93 -3.44 116.57 102.80 3i9j h LYS 186 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3i9j h LYS 186 Cb 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3i9j h LYS 186 CO 0.00 0.00 -0.02 0.08 -0.57 0.00 0.00 179.45 178.94 3i9j s VAL 187 N -3.31 4.84 -0.06 0.50 1.01 -0.55 -0.37 120.40 122.46 3i9j s VAL 187 Ca 0.05 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.35 3i9j s VAL 187 Cb 0.10 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 3i9j s VAL 187 CO 0.45 0.47 0.09 0.35 0.00 0.00 0.00 175.10 176.46 3i9j n THR 188 N 2.34 0.40 -3.71 3.92 -2.24 -0.30 -4.85 114.28 109.84 3i9j n THR 188 Ca -0.08 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 3i9j n THR 188 Cb 0.51 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.35 0.66 -0.19 -0.78 3.52 -1.25 -0.43 118.95 118.13 3i9j s ARG 189 Ca -0.04 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.79 3i9j s ARG 189 Cb 0.04 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.73 3i9j s ARG 189 CO 0.37 -0.15 -0.11 0.08 -0.81 0.00 0.00 175.30 174.68 3i9j s VAL 190 N -0.60 2.93 -0.31 7.11 1.01 0.08 -2.22 120.40 128.40 3i9j s VAL 190 Ca -0.07 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3i9j s VAL 190 Cb -0.03 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.10 3i9j s VAL 190 CO 0.03 0.48 0.03 -0.54 0.00 0.00 0.00 175.10 175.11 3i9j s LYS 191 N 1.15 2.50 0.06 2.72 1.02 -0.59 -1.60 119.74 125.00 3i9j s LYS 191 Ca 0.01 -1.23 -0.10 0.00 0.02 0.00 0.00 55.97 54.68 3i9j s LYS 191 Cb -0.14 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 3i9j s LYS 191 CO -0.03 -0.63 0.38 0.08 -0.92 0.00 0.00 175.35 174.22 3i9j s VAL 192 N 1.30 5.13 -0.19 3.17 1.01 -0.63 -1.08 120.40 129.11 3i9j s VAL 192 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3i9j s VAL 192 Cb -0.20 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.59 3i9j s VAL 192 CO 0.00 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 3i9j s ILE 193 N -1.36 1.39 -0.26 2.22 1.01 0.10 -2.42 121.20 121.90 3i9j s ILE 193 Ca 0.31 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 3i9j s ILE 193 Cb -0.14 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 3i9j s ILE 193 CO 0.17 0.09 0.55 -0.69 0.00 0.00 0.00 174.94 175.06 3i9j s VAL 194 N 1.49 5.05 -0.25 2.92 1.01 0.30 -1.29 120.40 129.63 3i9j s VAL 194 Ca -0.01 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 3i9j s VAL 194 Cb -0.16 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 3i9j s VAL 194 CO -0.08 0.07 0.86 -0.22 0.00 0.00 0.00 175.10 175.74 3i9j s LEU 195 N 2.33 4.08 -0.63 3.92 2.96 -0.03 -1.14 118.68 130.17 3i9j s LEU 195 Ca 0.23 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 3i9j s LEU 195 Cb -0.16 -3.24 0.16 0.00 0.50 0.00 0.00 46.19 43.46 3i9j s LEU 195 CO 0.09 -0.56 0.57 -1.00 -1.32 0.00 0.00 176.35 174.13 3i9j s HIS 196 N 2.93 3.46 0.21 5.38 3.76 -1.26 -0.50 115.29 129.27 3i9j s HIS 196 Ca 0.36 -1.68 -0.31 0.00 -0.15 0.00 0.00 55.06 53.28 3i9j s HIS 196 Cb -0.15 -3.74 -0.15 0.00 1.11 0.00 0.00 32.58 29.65 3i9j s HIS 196 CO 0.08 -1.00 1.10 0.54 -0.85 0.00 0.00 174.74 174.61 3i9j n ARG 197 N 4.68 1.21 -2.66 1.40 1.74 -1.26 -4.85 116.66 116.92 3i9j n ARG 197 Ca -0.03 0.43 -0.37 0.00 -0.77 0.00 0.00 57.85 57.11 3i9j n ARG 197 Cb 0.42 -1.87 -0.05 0.00 -1.02 0.00 0.00 32.46 29.94 3i9j n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i9j s LEU 198 N 0.66 4.29 0.00 0.55 1.43 -1.26 -2.94 118.68 121.42 3i9j s LEU 198 Ca 0.68 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3i9j s LEU 198 Cb -0.80 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 41.39 3i9j s LEU 198 CO 0.55 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3i9j n GLY 199 N 0.56 0.85 3.35 -3.19 0.00 -1.26 -5.01 105.19 100.49 3i9j n GLY 199 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.17 1.33 -0.02 1.61 2.02 -1.15 -5.08 118.70 117.24 3i9j s GLU 200 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 54.97 53.17 3i9j s GLU 200 Cb 0.00 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 3i9j s GLU 200 CO 0.00 0.23 1.43 0.21 0.02 0.00 0.00 175.26 177.15 3i9j s LYS 201 N -3.25 4.26 0.24 1.61 2.20 -1.26 -4.88 119.74 118.66 3i9j s LYS 201 Ca 0.20 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.48 3i9j s LYS 201 Cb -0.03 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3i9j s LYS 201 CO 0.07 -0.63 1.52 0.42 -0.36 0.00 0.00 175.35 176.37 3i9j s ILE 202 N 2.74 2.49 -0.06 5.43 1.01 -1.26 -4.71 121.20 126.85 3i9j s ILE 202 Ca 0.65 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 3i9j s ILE 202 Cb -0.31 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3i9j s ILE 202 CO 0.26 0.05 -0.07 -0.38 0.00 0.00 0.00 174.94 174.80 3i9j n ILE 203 N 2.74 0.35 -4.47 2.92 2.08 0.12 -5.01 119.36 118.09 3i9j n ILE 203 Ca 0.09 -0.11 -0.32 0.00 0.56 0.00 0.00 62.75 62.97 3i9j n ILE 203 Cb 0.39 -1.18 -0.11 0.00 -0.75 0.00 0.00 39.64 38.00 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 -2.12 2.50 -0.01 0.38 0.41 -0.21 -5.00 118.70 114.65 3i9j s GLU 204 Ca -0.09 -0.75 0.04 0.00 -0.41 0.00 0.00 54.97 53.76 3i9j s GLU 204 Cb 0.03 -2.47 -0.01 0.00 -1.78 0.00 0.00 34.13 29.90 3i9j s GLU 204 CO 0.12 0.59 -0.13 0.15 -0.49 0.00 0.00 175.26 175.51 3i9j s LYS 205 N -1.44 1.05 0.02 1.61 1.02 -1.26 -4.77 119.74 115.97 3i9j s LYS 205 Ca 0.17 -0.45 -0.33 0.00 0.02 0.00 0.00 55.97 55.37 3i9j s LYS 205 Cb -0.11 -1.01 -0.17 0.00 -0.52 0.00 0.00 37.83 36.02 3i9j s LYS 205 CO 0.07 0.26 0.88 0.00 -0.92 0.00 0.00 175.35 175.64 3i9j n GLY 207 N 1.34 -1.23 0.00 0.00 0.00 -1.26 -4.97 105.19 99.07 3i9j n GLY 207 Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3i9j n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9j n ALA 208 N -2.20 0.00 -0.57 4.61 0.00 -1.20 -4.82 120.51 116.33 3i9j n ALA 208 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i9j n ALA 208 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i9j n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9j n GLY 209 N -0.37 1.51 0.27 0.00 0.00 -1.26 -3.19 105.19 102.15 3i9j n GLY 209 Ca 0.00 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 9.33 0.00 1.49 1.61 4.64 -1.93 -0.39 113.55 128.29 3i9j h SER 210 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3i9j h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i9j h SER 210 CO 0.00 0.09 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.81 3i9j h LEU 211 N 0.00 0.00 0.03 5.97 3.38 -1.85 0.50 115.31 123.35 3i9j h LEU 211 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3i9j h LEU 211 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3i9j h LEU 211 CO 0.01 0.18 -1.17 0.25 0.09 0.00 0.00 178.44 177.80 3i9j h LEU 212 N 0.00 0.09 0.17 1.67 5.85 -1.11 -1.32 115.31 120.66 3i9j h LEU 212 Ca -0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3i9j h LEU 212 Cb 0.97 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3i9j h LEU 212 CO 0.02 1.09 -0.08 0.44 -0.34 0.00 0.00 178.44 179.57 3i9j h ASP 213 N 0.02 -0.20 -0.42 1.25 3.32 -1.10 -2.51 116.42 116.78 3i9j h ASP 213 Ca -0.08 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 56.84 3i9j h ASP 213 Cb 1.85 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 41.37 3i9j h ASP 213 CO 0.14 0.11 -0.12 0.25 -1.72 0.00 0.00 179.24 177.90 3i9j h LEU 214 N -0.52 -0.43 -0.68 1.55 5.85 -0.94 -0.66 115.31 119.47 3i9j h LEU 214 Ca -0.02 0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.97 3i9j h LEU 214 Cb 0.40 0.28 -0.12 0.00 0.37 0.00 0.00 40.66 41.58 3i9j h LEU 214 CO 0.04 -0.15 -0.03 -0.08 -0.34 0.00 0.00 178.44 177.87 3i9j h GLU 215 N -0.02 0.08 -0.51 1.25 4.81 -1.21 0.06 114.58 119.05 3i9j h GLU 215 Ca 0.20 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3i9j h GLU 215 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3i9j h GLU 215 CO -0.44 0.05 -0.10 0.87 -0.73 0.00 0.00 179.01 178.66 3i9j h LYS 216 N 0.08 0.94 -0.63 1.92 1.57 -0.71 -1.93 116.57 117.82 3i9j h LYS 216 Ca 0.36 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3i9j h LYS 216 Cb 0.60 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3i9j h LYS 216 CO -0.62 0.99 0.15 -0.07 -0.57 0.00 0.00 179.45 179.33 3i9j h LEU 217 N 0.84 0.92 -0.31 2.94 3.38 -0.48 -2.30 115.31 120.30 3i9j h LEU 217 Ca 0.14 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3i9j h LEU 217 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3i9j h LEU 217 CO 0.04 0.89 -0.19 0.58 0.09 0.00 0.00 178.44 179.86 3i9j h VAL 218 N 0.94 1.29 0.00 1.22 2.07 -0.57 -2.52 116.25 118.68 3i9j h VAL 218 Ca 0.20 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3i9j h VAL 218 Cb 0.34 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3i9j h VAL 218 CO 0.00 0.42 -0.19 0.11 0.02 0.00 0.00 177.57 177.93 3i9j h LYS 219 N 0.43 0.00 0.00 1.57 1.57 -1.35 -2.22 116.57 116.57 3i9j h LYS 219 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3i9j h LYS 219 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3i9j h LYS 219 CO 0.05 0.19 -0.51 0.00 -0.57 0.00 0.00 179.45 178.61 3i9j h ALA 220 N 1.81 0.94 0.00 3.86 0.00 -1.04 -1.71 119.26 123.11 3i9j h ALA 220 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i9j h ALA 220 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i9j h ALA 220 CO 0.02 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.55 3i9j n LYS 221 N -3.62 0.87 -1.12 0.00 4.76 -0.85 -4.88 118.16 113.32 3i9j n LYS 221 Ca -0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.39 3i9j n LYS 221 Cb 0.59 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.59 3i9j n LYS 221 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3i9j n HIS 222 N -0.67 0.00 -2.80 2.13 8.25 -0.64 -5.00 115.22 116.49 3i9j n HIS 222 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 3i9j n HIS 222 Cb 0.03 -1.64 -0.06 0.00 1.12 0.00 0.00 29.99 29.44 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 -1.70 3.36 0.70 4.41 0.08 -1.14 -5.02 117.98 118.67 3i9j s PHE 223 Ca 0.00 1.47 -0.12 0.00 0.12 0.00 0.00 56.93 58.40 3i9j s PHE 223 Cb 0.00 -2.75 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 3i9j s PHE 223 CO 0.00 -0.12 1.08 0.00 -0.10 0.00 0.00 175.22 176.08 3i9j s ALA 224 N -2.25 2.49 -0.04 5.36 0.00 0.42 -4.10 121.76 123.65 3i9j s ALA 224 Ca 0.59 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3i9j s ALA 224 Cb -0.09 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3i9j s ALA 224 CO 0.19 -1.37 -0.02 0.12 0.00 0.00 0.00 175.76 174.68 3i9j s PHE 225 N -2.76 0.54 0.18 0.00 5.36 -1.26 -0.74 117.98 119.30 3i9j s PHE 225 Ca 0.62 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 3i9j s PHE 225 Cb -0.17 -0.58 -0.04 0.00 -0.34 0.00 0.00 43.02 41.89 3i9j s PHE 225 CO 0.50 -0.19 0.05 0.16 -1.46 0.00 0.00 175.22 174.28 3i9j s ASP 226 N 1.17 0.87 -0.20 6.13 1.47 -0.63 -4.98 116.67 120.50 3i9j s ASP 226 Ca -0.08 -1.25 -0.10 0.00 1.18 0.00 0.00 52.55 52.30 3i9j s ASP 226 Cb -0.14 0.20 0.07 0.00 -0.34 0.00 0.00 42.92 42.71 3i9j s ASP 226 CO -0.02 -0.67 0.47 0.00 0.68 0.00 0.00 175.17 175.63 3i9j s VAL 228 N 1.59 0.56 -0.19 0.00 -7.23 -1.01 -4.99 120.40 109.12 3i9j s VAL 228 Ca -0.09 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 3i9j s VAL 228 Cb -0.08 -0.70 -0.00 0.00 0.56 0.00 0.00 36.38 36.15 3i9j s VAL 228 CO -0.14 -0.42 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.52 3i9j s GLU 229 N -1.77 3.29 -1.12 4.82 2.02 -1.26 -0.54 118.70 124.14 3i9j s GLU 229 Ca -0.08 -0.68 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 3i9j s GLU 229 Cb -0.09 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.33 3i9j s GLU 229 CO -0.00 -0.12 0.71 0.09 0.02 0.00 0.00 175.26 175.96 3i9j n ASN 230 N 4.50 -4.73 -4.65 -0.19 4.13 -0.29 -4.93 115.26 109.09 3i9j n ASN 230 Ca -0.19 -1.13 -0.36 0.00 1.68 0.00 0.00 54.58 54.58 3i9j n ASN 230 Cb 0.51 -2.29 0.08 0.00 -1.54 0.00 0.00 39.78 36.54 3i9j n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9j n PRO 231 N -4.33 0.77 -0.14 3.52 -0.04 -1.26 -4.55 135.00 128.96 3i9j n PRO 231 Ca -0.13 0.32 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 3i9j n PRO 231 Cb 0.59 -2.32 0.05 0.00 -0.04 0.00 0.00 33.50 31.78 3i9j n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9j h ARG 232 N 0.12 0.18 -0.12 0.54 3.08 -1.98 0.14 114.38 116.34 3i9j h ARG 232 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3i9j h ARG 232 Cb 1.34 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3i9j h ARG 232 CO 0.50 0.12 -0.02 0.00 -1.07 0.00 0.00 179.97 179.50 3i9j h ALA 233 N 1.36 1.76 0.16 0.04 0.00 -2.00 0.15 119.26 120.72 3i9j h ALA 233 Ca 0.22 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 3i9j h ALA 233 Cb 0.29 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i9j h ALA 233 CO -0.31 0.19 -0.96 0.28 0.00 0.00 0.00 179.25 178.44 3i9j h VAL 234 N 0.17 1.45 -0.99 0.00 2.07 -1.46 -3.20 116.25 114.29 3i9j h VAL 234 Ca 0.04 -2.56 0.21 0.00 0.82 0.00 0.00 66.70 65.21 3i9j h VAL 234 Cb 0.15 3.15 -0.11 0.00 -1.52 0.00 0.00 31.29 32.96 3i9j h VAL 234 CO 0.00 0.73 0.58 0.25 0.02 0.00 0.00 177.57 179.16 3i9j h LEU 235 N -0.28 0.71 -1.00 2.57 5.85 -0.44 -1.54 115.31 121.18 3i9j h LEU 235 Ca -0.17 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 3i9j h LEU 235 Cb 1.74 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 3i9j h LEU 235 CO 0.17 0.20 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.94 3i9j h PHE 236 N 0.68 0.44 0.08 1.25 0.04 -1.02 -0.54 116.94 117.87 3i9j h PHE 236 Ca 0.59 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 61.28 3i9j h PHE 236 Cb 1.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 3i9j h PHE 236 CO -0.02 0.63 -0.11 1.25 -0.60 0.00 0.00 178.31 179.46 3i9j h LEU 237 N 0.34 -0.31 -0.52 1.54 5.85 -1.28 -1.86 115.31 119.07 3i9j h LEU 237 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3i9j h LEU 237 Cb 0.66 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3i9j h LEU 237 CO 0.05 -0.17 0.23 -0.07 -0.34 0.00 0.00 178.44 178.13 3i9j h LEU 238 N -0.24 0.29 -1.67 2.25 3.38 -1.25 -2.64 115.31 115.44 3i9j h LEU 238 Ca 0.01 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3i9j h LEU 238 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3i9j h LEU 238 CO -0.05 0.20 -0.19 0.00 0.09 0.00 0.00 178.44 178.49 3i9j h SER 240 N 0.00 0.64 -0.02 0.00 4.64 -0.95 -0.40 113.55 117.45 3i9j h SER 240 Ca -0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3i9j h SER 240 Cb 0.35 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i9j h SER 240 CO 0.02 0.80 0.00 0.47 -0.87 0.00 0.00 176.83 177.25 3i9j n ASP 241 N -4.17 0.17 -2.71 4.97 8.00 -0.79 -4.25 116.55 117.77 3i9j n ASP 241 Ca 0.01 -1.44 -0.07 0.00 0.71 0.00 0.00 54.79 54.01 3i9j n ASP 241 Cb 0.36 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.68 -2.09 0.06 -2.24 4.05 -0.63 -5.00 115.26 108.72 3i9j n ASN 242 Ca 0.14 -2.74 0.08 0.00 0.45 0.00 0.00 54.58 52.52 3i9j n ASN 242 Cb 0.09 1.44 0.36 0.00 1.23 0.00 0.00 39.78 42.90 3i9j n ASN 242 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3i9j n PRO 243 N 1.18 0.08 0.10 1.20 -0.04 -0.26 -2.32 135.00 134.94 3i9j n PRO 243 Ca 0.04 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 3i9j n PRO 243 Cb 0.68 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3i9j n PRO 243 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3i9j h ASN 244 N 0.00 0.00 -1.35 3.54 2.35 -1.95 -3.46 115.58 114.72 3i9j h ASN 244 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3i9j h ASN 244 Cb 0.25 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.75 3i9j h ASN 244 CO 0.00 0.23 -0.76 0.00 -1.65 0.00 0.00 177.43 175.26 3i9j n ALA 245 N -2.24 -2.79 -0.17 -0.83 0.00 -0.98 -4.81 120.51 108.69 3i9j n ALA 245 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3i9j n ALA 245 Cb 0.66 -1.34 0.45 0.00 0.00 0.00 0.00 19.45 19.21 3i9j n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i9j h ARG 246 N 0.44 0.53 0.00 0.00 2.43 -1.93 -1.76 114.38 114.08 3i9j h ARG 246 Ca -0.31 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3i9j h ARG 246 Cb 1.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3i9j h ARG 246 CO 0.44 0.35 0.00 0.93 -1.51 0.00 0.00 179.97 180.18 3i9j h GLU 247 N 0.54 0.00 -0.02 0.20 3.07 -1.96 -3.15 114.58 113.26 3i9j h GLU 247 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3i9j h GLU 247 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3i9j h GLU 247 CO -0.12 0.00 -0.19 0.00 -1.40 0.00 0.00 179.01 177.29 3i9j s ARG 249 N -2.26 4.17 0.11 0.00 0.52 -1.19 -5.01 118.95 115.29 3i9j s ARG 249 Ca 0.27 2.48 0.04 0.00 -0.52 0.00 0.00 55.73 58.00 3i9j s ARG 249 Cb 0.20 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3i9j s ARG 249 CO 0.44 -0.57 0.09 -0.51 0.02 0.00 0.00 175.30 174.78 3i9j s LEU 250 N -0.35 3.78 0.00 2.53 1.43 -1.26 -5.16 118.68 119.65 3i9j s LEU 250 Ca 0.63 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3i9j s LEU 250 Cb -0.46 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3i9j s LEU 250 CO 0.45 0.14 0.44 0.00 0.23 0.00 0.00 176.35 177.61