#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2x n ASP 2 N 0.00 3.23 -0.05 6.12 4.64 -1.26 -4.63 116.55 124.60 3h2x n ASP 2 Ca 0.00 -1.96 -0.09 0.00 -1.38 0.00 0.00 54.79 51.36 3h2x n ASP 2 Cb 0.00 -0.30 -0.02 0.00 -1.04 0.00 0.00 41.12 39.76 3h2x n ASP 2 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 3h2x h GLN 3 N 2.98 0.18 -0.71 -0.67 1.08 -1.92 -1.18 115.11 114.87 3h2x h GLN 3 Ca 0.00 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.32 3h2x h GLN 3 Cb 0.82 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.11 3h2x h GLN 3 CO 0.00 0.12 0.25 -0.09 -0.95 0.00 0.00 178.83 178.16 3h2x h ARG 4 N 0.19 0.38 -0.06 1.46 2.43 -1.99 0.41 114.38 117.19 3h2x h ARG 4 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3h2x h ARG 4 Cb 0.05 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3h2x h ARG 4 CO -0.09 0.25 0.01 1.49 -1.51 0.00 0.00 179.97 180.13 3h2x h GLU 5 N 0.39 0.09 -0.21 0.20 4.81 -1.81 -1.39 114.58 116.66 3h2x h GLU 5 Ca 0.38 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3h2x h GLU 5 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3h2x h GLU 5 CO -0.40 0.30 0.12 0.82 -0.73 0.00 0.00 179.01 179.11 3h2x h ILE 6 N -0.13 1.10 -0.41 2.32 2.04 -0.34 -2.24 117.51 119.86 3h2x h ILE 6 Ca 0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3h2x h ILE 6 Cb 0.25 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3h2x h ILE 6 CO 0.00 0.10 0.20 -0.07 0.00 0.00 0.00 178.15 178.38 3h2x h LEU 7 N 0.24 0.53 -0.57 1.44 3.38 -0.23 -2.45 115.31 117.66 3h2x h LEU 7 Ca 0.07 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3h2x h LEU 7 Cb 0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3h2x h LEU 7 CO -0.01 0.51 0.28 -0.61 0.09 0.00 0.00 178.44 178.69 3h2x h GLN 8 N 0.52 0.51 -0.81 1.13 5.75 -1.12 0.18 115.11 121.26 3h2x h GLN 8 Ca 0.14 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3h2x h GLN 8 Cb 0.12 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 3h2x h GLN 8 CO -0.02 0.33 0.48 -0.22 -2.65 0.00 0.00 178.83 176.76 3h2x h LYS 9 N 0.52 1.10 -0.44 1.69 3.64 -1.22 0.32 116.57 122.18 3h2x h LYS 9 Ca 0.26 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3h2x h LYS 9 Cb 0.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3h2x h LYS 9 CO -0.20 0.78 -0.25 0.35 -2.27 0.00 0.00 179.45 177.86 3h2x h PHE 10 N 1.12 1.08 -0.39 1.91 3.57 -0.80 -0.53 116.94 122.90 3h2x h PHE 10 Ca 0.29 -0.27 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3h2x h PHE 10 Cb -0.04 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3h2x h PHE 10 CO 0.00 1.08 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.79 3h2x h LEU 11 N 0.80 0.89 -0.61 0.59 3.38 0.20 -2.63 115.31 117.93 3h2x h LEU 11 Ca 0.10 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3h2x h LEU 11 Cb 0.82 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3h2x h LEU 11 CO 0.07 1.12 -0.44 0.44 0.09 0.00 0.00 178.44 179.72 3h2x h ASP 12 N 0.73 0.63 0.06 -0.43 3.32 -0.29 -2.17 116.42 118.27 3h2x h ASP 12 Ca 0.08 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3h2x h ASP 12 Cb 0.86 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3h2x h ASP 12 CO 0.08 0.99 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.44 3h2x h GLU 13 N 0.47 0.02 0.07 3.56 4.22 -0.92 -2.86 114.58 119.14 3h2x h GLU 13 Ca 0.03 -0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.16 3h2x h GLU 13 Cb 0.96 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3h2x h GLU 13 CO 0.09 0.09 -1.65 0.00 -2.18 0.00 0.00 179.01 175.35 3h2x h ALA 14 N 1.92 0.48 -0.13 2.92 0.00 -1.21 -3.29 119.26 119.94 3h2x h ALA 14 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 3h2x h ALA 14 Cb 0.13 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h2x h ALA 14 CO 0.01 1.33 0.00 0.94 0.00 0.00 0.00 179.25 181.53 3h2x n GLN 15 N -3.32 1.68 -2.75 0.00 -0.06 -0.84 -3.06 117.38 109.03 3h2x n GLN 15 Ca -0.19 -0.62 -0.02 0.00 -2.00 0.00 0.00 57.00 54.16 3h2x n GLN 15 Cb 1.04 -1.50 0.08 0.00 -4.06 0.00 0.00 30.24 25.79 3h2x n GLN 15 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3h2x n SER 16 N 0.08 0.35 -3.71 1.69 2.88 -1.10 -5.05 113.62 108.76 3h2x n SER 16 Ca 0.06 -2.22 -0.20 0.00 -1.33 0.00 0.00 58.87 55.18 3h2x n SER 16 Cb 0.35 -0.01 -0.18 0.00 -0.75 0.00 0.00 64.21 63.63 3h2x n SER 16 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3h2x s LYS 17 N -2.20 0.13 0.31 -1.46 3.01 -1.17 -4.94 119.74 113.41 3h2x s LYS 17 Ca 0.21 0.28 0.01 0.00 -1.01 0.00 0.00 55.97 55.46 3h2x s LYS 17 Cb 0.39 -0.61 0.74 0.00 -1.01 0.00 0.00 37.83 37.33 3h2x s LYS 17 CO -0.06 -0.30 1.57 0.87 0.51 0.00 0.00 175.35 177.94 3h2x h LYS 18 N 8.27 0.01 -6.26 1.68 1.57 -1.93 -3.46 116.57 116.45 3h2x h LYS 18 Ca -0.18 -0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.21 3h2x h LYS 18 Cb 1.12 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3h2x h LYS 18 CO 0.22 0.01 -1.02 -0.89 -0.57 0.00 0.00 179.45 177.19 3h2x n ILE 19 N -5.50 -3.06 -3.11 1.86 5.41 -1.26 -4.96 119.36 108.74 3h2x n ILE 19 Ca 0.23 0.03 -0.25 0.00 1.00 0.00 0.00 62.75 63.76 3h2x n ILE 19 Cb 0.74 -2.77 -0.01 0.00 -0.71 0.00 0.00 39.64 36.90 3h2x n ILE 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3h2x s THR 20 N -2.05 4.89 -0.31 1.39 -4.23 -1.26 -4.95 115.64 109.12 3h2x s THR 20 Ca 0.17 -0.28 0.25 0.00 -1.18 0.00 0.00 61.69 60.65 3h2x s THR 20 Cb -0.02 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.27 3h2x s THR 20 CO 0.77 -0.61 1.75 0.50 -0.54 0.00 0.00 174.62 176.49 3h2x h LYS 21 N 0.55 0.00 0.19 3.99 3.64 -2.00 -1.79 116.57 121.15 3h2x h LYS 21 Ca -0.48 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.60 3h2x h LYS 21 Cb 1.22 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.07 3h2x h LYS 21 CO 0.61 0.00 -1.27 0.93 -2.27 0.00 0.00 179.45 177.45 3h2x h GLU 22 N 0.00 0.53 -0.65 1.90 3.07 -1.99 -2.19 114.58 115.25 3h2x h GLU 22 Ca 0.00 -0.82 -0.03 0.00 -0.50 0.00 0.00 59.36 58.01 3h2x h GLU 22 Cb 0.28 0.29 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 3h2x h GLU 22 CO 0.00 1.38 0.29 0.93 -1.40 0.00 0.00 179.01 180.22 3h2x h GLU 23 N 0.10 0.94 -0.32 2.33 5.08 -1.72 0.43 114.58 121.42 3h2x h GLU 23 Ca -0.21 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3h2x h GLU 23 Cb 1.98 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 3h2x h GLU 23 CO 0.24 0.74 0.00 0.74 -1.00 0.00 0.00 179.01 179.73 3h2x h PHE 24 N 0.93 0.62 0.17 4.33 0.05 -1.49 0.19 116.94 121.75 3h2x h PHE 24 Ca 0.23 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.91 3h2x h PHE 24 Cb 0.13 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 37.91 3h2x h PHE 24 CO 0.01 0.69 -0.12 0.00 -0.18 0.00 0.00 178.31 178.71 3h2x h ALA 25 N 0.85 -0.27 -0.36 2.45 0.00 -0.78 0.30 119.26 121.45 3h2x h ALA 25 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h2x h ALA 25 Cb 0.44 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3h2x h ALA 25 CO 0.02 -0.66 0.18 -0.97 0.00 0.00 0.00 179.25 177.81 3h2x h ASN 26 N -0.29 0.46 -0.89 0.00 -1.24 -0.89 -1.40 115.58 111.34 3h2x h ASN 26 Ca -0.01 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 3h2x h ASN 26 Cb 0.25 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 3h2x h ASN 26 CO 0.01 0.45 0.50 -0.08 -1.29 0.00 0.00 177.43 177.02 3h2x h GLU 27 N 0.44 1.23 -0.16 6.67 4.81 -0.38 -1.02 114.58 126.18 3h2x h GLU 27 Ca 0.12 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 3h2x h GLU 27 Cb 0.11 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.25 3h2x h GLU 27 CO -0.02 0.89 -0.74 0.35 -0.73 0.00 0.00 179.01 178.76 3h2x h PHE 28 N 1.24 0.98 -0.69 0.92 3.57 -0.20 -1.58 116.94 121.17 3h2x h PHE 28 Ca 0.32 -0.42 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 3h2x h PHE 28 Cb 0.00 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3h2x h PHE 28 CO 0.01 1.24 0.27 -0.07 -2.23 0.00 0.00 178.31 177.53 3h2x h LEU 29 N 0.51 0.94 -0.88 0.59 3.38 -1.07 -1.13 115.31 117.65 3h2x h LEU 29 Ca -0.04 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3h2x h LEU 29 Cb 1.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3h2x h LEU 29 CO 0.15 0.84 0.14 0.50 0.09 0.00 0.00 178.44 180.17 3h2x h LYS 30 N 1.00 0.98 -0.28 1.13 3.64 -1.08 -1.24 116.57 120.72 3h2x h LYS 30 Ca 0.23 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3h2x h LYS 30 Cb 0.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3h2x h LYS 30 CO -0.02 0.87 -0.12 1.25 -2.27 0.00 0.00 179.45 179.17 3h2x h LEU 31 N 0.93 0.58 -0.91 5.20 6.46 -0.61 -1.54 115.31 125.42 3h2x h LEU 31 Ca 0.20 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 3h2x h LEU 31 Cb 0.34 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3h2x h LEU 31 CO 0.00 0.85 0.44 0.11 -0.62 0.00 0.00 178.44 179.22 3h2x h LYS 32 N 0.31 1.22 0.45 1.25 1.57 -1.02 -1.59 116.57 118.76 3h2x h LYS 32 Ca 0.06 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3h2x h LYS 32 Cb 0.62 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3h2x h LYS 32 CO 0.04 0.92 -0.22 -0.09 -0.57 0.00 0.00 179.45 179.53 3h2x h ARG 33 N 1.21 -0.58 0.00 3.15 2.43 -1.09 -2.64 114.38 116.87 3h2x h ARG 33 Ca 0.30 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3h2x h ARG 33 Cb 0.08 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3h2x h ARG 33 CO -0.04 -0.29 -0.07 1.96 -1.51 0.00 0.00 179.97 180.02 3h2x h GLN 34 N -0.82 0.00 0.00 0.20 4.20 -1.26 0.14 115.11 117.57 3h2x h GLN 34 Ca -0.06 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3h2x h GLN 34 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3h2x h GLN 34 CO 0.10 0.07 -0.96 0.66 -0.67 0.00 0.00 178.83 178.03 3h2x h SER 35 N 0.00 0.00 0.00 1.46 4.64 -1.30 -3.38 113.55 114.97 3h2x h SER 35 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3h2x h SER 35 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3h2x h SER 35 CO 0.01 0.56 -1.84 0.35 -0.87 0.00 0.00 176.83 175.04 3h2x n THR 36 N -3.07 0.58 -3.05 2.95 -2.24 -1.00 -5.03 114.28 103.42 3h2x n THR 36 Ca -0.04 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 3h2x n THR 36 Cb 0.79 -0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.73 3h2x n THR 36 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h2x s LYS 37 N -2.60 2.53 -1.14 -0.78 3.01 0.46 -4.62 119.74 116.59 3h2x s LYS 37 Ca -0.06 -1.48 -0.00 0.00 -1.01 0.00 0.00 55.97 53.41 3h2x s LYS 37 Cb 0.06 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 34.20 3h2x s LYS 37 CO 0.58 -0.60 0.06 0.66 0.51 0.00 0.00 175.35 176.56 3h2x n TYR 38 N -2.06 -0.73 -3.18 3.18 4.02 -1.26 -4.79 117.16 112.33 3h2x n TYR 38 Ca 0.12 0.05 -0.19 0.00 -0.01 0.00 0.00 57.90 57.87 3h2x n TYR 38 Cb 0.61 -2.98 0.01 0.00 -0.02 0.00 0.00 39.34 36.96 3h2x n TYR 38 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3h2x s LYS 39 N -4.76 2.62 0.52 -0.72 -0.14 -1.26 -5.11 119.74 110.89 3h2x s LYS 39 Ca 0.03 -1.44 -0.05 0.00 -1.36 0.00 0.00 55.97 53.15 3h2x s LYS 39 Cb -0.01 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3h2x s LYS 39 CO 0.03 -0.40 0.83 0.00 -0.76 0.00 0.00 175.35 175.05 3h2x s ALA 40 N -2.47 3.37 0.29 5.17 0.00 -1.26 -4.97 121.76 121.89 3h2x s ALA 40 Ca 0.54 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.94 3h2x s ALA 40 Cb -0.07 -2.59 0.65 0.00 0.00 0.00 0.00 23.12 21.11 3h2x s ALA 40 CO 0.33 -0.53 1.79 -0.44 0.00 0.00 0.00 175.76 176.90 3h2x h ASP 41 N 0.07 0.76 -0.41 0.00 3.32 -2.05 -2.12 116.42 115.99 3h2x h ASP 41 Ca -0.46 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3h2x h ASP 41 Cb 1.23 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3h2x h ASP 41 CO 0.61 0.31 0.00 0.29 -1.72 0.00 0.00 179.24 178.73 3h2x n LYS 42 N -4.76 2.14 -1.85 3.56 5.02 -1.26 -4.97 118.16 116.04 3h2x n LYS 42 Ca 0.21 -1.76 -0.41 0.00 -2.02 0.00 0.00 58.31 54.33 3h2x n LYS 42 Cb 0.49 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3h2x n LYS 42 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h2x s THR 43 N -1.46 2.15 -0.86 -0.18 2.01 -0.80 -3.80 115.64 112.69 3h2x s THR 43 Ca 0.35 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 3h2x s THR 43 Cb 0.19 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3h2x s THR 43 CO 0.26 0.03 0.72 -1.22 -0.69 0.00 0.00 174.62 173.72 3h2x n TYR 44 N 0.61 -2.54 -2.14 4.92 0.53 -1.26 -4.94 117.16 112.34 3h2x n TYR 44 Ca 0.01 0.93 -0.37 0.00 -1.02 0.00 0.00 57.90 57.45 3h2x n TYR 44 Cb 0.39 -3.70 0.01 0.00 -1.03 0.00 0.00 39.34 35.02 3h2x n TYR 44 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 3h2x s PRO 45 N -4.08 3.51 -0.31 -0.72 0.04 -1.25 -4.87 135.00 127.32 3h2x s PRO 45 Ca 0.13 1.86 0.18 0.00 0.04 0.00 0.00 61.00 63.21 3h2x s PRO 45 Cb -0.03 -2.29 0.47 0.00 0.04 0.00 0.00 34.50 32.69 3h2x s PRO 45 CO 0.80 -0.78 1.01 0.25 0.04 0.00 0.00 177.00 178.32 3h2x n THR 46 N -0.79 1.19 -0.16 1.26 -2.24 -1.26 -1.05 114.28 111.23 3h2x n THR 46 Ca 0.09 -3.15 -0.09 0.00 -2.27 0.00 0.00 64.05 58.63 3h2x n THR 46 Cb 0.48 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3h2x n THR 46 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3h2x h THR 47 N 3.73 1.21 -0.52 4.28 1.35 -1.92 -2.63 112.91 118.42 3h2x h THR 47 Ca -0.08 -0.67 0.01 0.00 -0.55 0.00 0.00 66.41 65.12 3h2x h THR 47 Cb 1.20 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 3h2x h THR 47 CO 0.43 0.25 0.34 0.58 -0.25 0.00 0.00 175.52 176.87 3h2x h VAL 48 N 0.61 1.12 0.00 6.82 2.07 -1.92 -1.47 116.25 123.48 3h2x h VAL 48 Ca 0.15 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3h2x h VAL 48 Cb 0.22 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3h2x h VAL 48 CO -0.01 0.13 -0.17 0.00 0.02 0.00 0.00 177.57 177.53 3h2x h ALA 49 N 1.20 1.31 -0.01 1.67 0.00 -1.84 -2.38 119.26 119.21 3h2x h ALA 49 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h2x h ALA 49 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h2x h ALA 49 CO -0.05 0.21 -0.21 0.39 0.00 0.00 0.00 179.25 179.59 3h2x n GLU 50 N -3.75 1.02 -1.72 0.00 1.02 -0.69 -4.07 120.64 112.45 3h2x n GLU 50 Ca -0.02 -0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 56.10 3h2x n GLU 50 Cb 0.28 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3h2x n GLU 50 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h2x n LYS 51 N -0.46 2.10 -0.34 3.49 5.02 -0.64 -4.73 118.16 122.60 3h2x n LYS 51 Ca 0.13 0.74 0.17 0.00 -2.02 0.00 0.00 58.31 57.33 3h2x n LYS 51 Cb 0.36 -2.46 0.39 0.00 -0.02 0.00 0.00 35.03 33.29 3h2x n LYS 51 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3h2x h PRO 52 N 2.27 0.60 0.00 1.97 0.11 -1.92 0.14 132.00 135.17 3h2x h PRO 52 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h2x h PRO 52 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3h2x h PRO 52 CO 0.61 0.40 0.00 1.57 -0.21 0.00 0.00 178.00 180.36 3h2x h LYS 53 N 0.62 0.00 -0.00 1.05 2.10 -1.94 -3.23 116.57 115.17 3h2x h LYS 53 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 3h2x h LYS 53 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3h2x h LYS 53 CO -0.39 0.00 -0.58 0.09 -2.00 0.00 0.00 179.45 176.57 3h2x n ASN 54 N -3.00 0.73 -0.29 7.07 5.03 0.37 -4.65 115.26 120.52 3h2x n ASN 54 Ca 0.01 -0.86 0.10 0.00 0.87 0.00 0.00 54.58 54.70 3h2x n ASN 54 Cb 0.31 0.93 0.26 0.00 -1.02 0.00 0.00 39.78 40.26 3h2x n ASN 54 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3h2x h ILE 55 N 0.20 0.56 0.00 2.41 2.04 -1.29 0.99 117.51 122.41 3h2x h ILE 55 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3h2x h ILE 55 Cb 0.33 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3h2x h ILE 55 CO 0.00 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.52 3h2x n LYS 56 N -5.01 0.57 -0.07 2.37 4.76 -1.26 -3.17 118.16 116.35 3h2x n LYS 56 Ca 0.19 0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 3h2x n LYS 56 Cb 0.55 -1.50 0.35 0.00 -1.84 0.00 0.00 35.03 32.60 3h2x n LYS 56 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3h2x n LYS 57 N -1.17 1.92 -4.18 1.97 5.02 0.34 -4.86 118.16 117.20 3h2x n LYS 57 Ca 0.16 -1.36 -0.34 0.00 -2.02 0.00 0.00 58.31 54.74 3h2x n LYS 57 Cb 0.16 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 3h2x n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h2x s ASN 58 N -1.71 4.82 0.19 4.39 0.01 -1.19 -4.61 114.94 116.84 3h2x s ASN 58 Ca 0.34 -0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.23 3h2x s ASN 58 Cb 0.20 -1.81 0.09 0.00 0.41 0.00 0.00 41.25 40.13 3h2x s ASN 58 CO 0.29 0.10 1.67 -0.09 -1.51 0.00 0.00 177.10 177.57 3h2x h ARG 59 N 7.21 1.11 -4.31 -0.60 2.43 -1.90 -3.40 114.38 114.92 3h2x h ARG 59 Ca -0.34 -0.32 -0.57 0.00 -0.81 0.00 0.00 59.98 57.93 3h2x h ARG 59 Cb 1.18 -0.12 -0.37 0.00 -0.42 0.00 0.00 29.97 30.24 3h2x h ARG 59 CO 0.62 1.04 -0.80 0.71 -1.51 0.00 0.00 179.97 180.03 3h2x s TYR 60 N -5.13 1.93 0.34 2.20 1.51 -1.26 -5.01 117.35 111.92 3h2x s TYR 60 Ca -0.12 -1.23 0.35 0.00 -1.01 0.00 0.00 57.07 55.06 3h2x s TYR 60 Cb 0.14 -1.42 1.90 0.00 -0.11 0.00 0.00 41.96 42.47 3h2x s TYR 60 CO 0.86 -0.65 2.07 0.87 -1.11 0.00 0.00 175.55 177.58 3h2x h LYS 61 N 8.07 0.00 -0.01 -0.62 1.57 -1.94 -0.47 116.57 123.17 3h2x h LYS 61 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3h2x h LYS 61 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3h2x h LYS 61 CO 0.43 0.00 -0.34 -0.40 -0.57 0.00 0.00 179.45 178.57 3h2x n ASP 62 N -2.74 1.59 -4.02 0.86 3.85 -1.26 -4.61 116.55 110.21 3h2x n ASP 62 Ca -0.02 -1.25 -0.33 0.00 -0.71 0.00 0.00 54.79 52.48 3h2x n ASP 62 Cb 0.08 0.29 -0.11 0.00 -1.35 0.00 0.00 41.12 40.02 3h2x n ASP 62 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3h2x s ILE 63 N -2.45 3.27 -0.08 2.12 -1.09 -0.19 -5.07 121.20 117.71 3h2x s ILE 63 Ca 0.22 -3.38 0.02 0.00 -2.23 0.00 0.00 60.65 55.28 3h2x s ILE 63 Cb 0.19 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 3h2x s ILE 63 CO 0.53 -0.89 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.47 3h2x s LEU 64 N -0.49 2.83 0.31 2.97 1.43 -1.26 -4.71 118.68 119.76 3h2x s LEU 64 Ca 0.19 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3h2x s LEU 64 Cb -0.19 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 3h2x s LEU 64 CO -0.05 0.28 1.26 -2.16 0.23 0.00 0.00 176.35 175.92 3h2x s PRO 65 N -0.35 4.42 0.38 1.29 0.04 -1.26 -4.72 135.00 134.80 3h2x s PRO 65 Ca 0.04 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 3h2x s PRO 65 Cb -0.13 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 3h2x s PRO 65 CO 0.02 -0.11 1.33 0.71 0.04 0.00 0.00 177.00 178.99 3h2x s TYR 66 N -1.08 2.84 0.12 0.56 4.12 -1.26 -4.64 117.35 118.01 3h2x s TYR 66 Ca 0.48 1.38 -0.21 0.00 0.02 0.00 0.00 57.07 58.74 3h2x s TYR 66 Cb -0.38 -3.72 -0.06 0.00 -1.52 0.00 0.00 41.96 36.28 3h2x s TYR 66 CO 0.50 -2.16 1.71 -0.44 0.02 0.00 0.00 175.55 175.18 3h2x h ASP 67 N 2.89 -0.20 -0.07 2.29 3.45 -1.43 -1.64 116.42 121.72 3h2x h ASP 67 Ca -0.50 0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.03 3h2x h ASP 67 Cb 1.24 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 40.12 3h2x h ASP 67 CO 0.63 -0.08 0.06 0.10 -1.57 0.00 0.00 179.24 178.38 3h2x h TYR 68 N -0.05 0.00 -0.05 4.55 -0.00 -1.92 -2.96 116.97 116.54 3h2x h TYR 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.80 3h2x h TYR 68 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 3h2x h TYR 68 CO -0.18 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 176.85 3h2x n SER 69 N -4.14 1.72 -4.70 0.10 3.41 -1.16 -5.05 113.62 103.80 3h2x n SER 69 Ca -0.01 -1.49 -0.36 0.00 -0.26 0.00 0.00 58.87 56.74 3h2x n SER 69 Cb 0.16 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 3h2x n SER 69 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3h2x n ARG 70 N 0.09 0.84 -2.86 4.33 1.85 -0.63 -1.47 116.66 118.81 3h2x n ARG 70 Ca 0.03 0.35 -0.43 0.00 -1.00 0.00 0.00 57.85 56.80 3h2x n ARG 70 Cb 0.18 -2.46 -0.04 0.00 -1.05 0.00 0.00 32.46 29.09 3h2x n ARG 70 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3h2x s VAL 71 N -1.59 4.58 0.02 8.89 1.01 -0.74 -4.75 120.40 127.83 3h2x s VAL 71 Ca 0.80 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.40 3h2x s VAL 71 Cb -0.36 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 3h2x s VAL 71 CO 0.44 -0.65 0.71 -1.61 0.00 0.00 0.00 175.10 173.99 3h2x s GLU 72 N 3.48 4.44 -0.34 2.72 2.02 -1.26 -4.39 118.70 125.37 3h2x s GLU 72 Ca 0.35 0.96 -0.11 0.00 0.02 0.00 0.00 54.97 56.19 3h2x s GLU 72 Cb -0.11 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.75 3h2x s GLU 72 CO 0.22 0.29 0.19 -0.51 0.02 0.00 0.00 175.26 175.47 3h2x s LEU 73 N -0.04 4.38 0.00 1.80 1.02 0.40 -4.92 118.68 121.33 3h2x s LEU 73 Ca 0.36 -0.60 0.11 0.00 0.02 0.00 0.00 54.13 54.02 3h2x s LEU 73 Cb -0.20 -2.05 -0.07 0.00 0.02 0.00 0.00 46.19 43.90 3h2x s LEU 73 CO 0.21 -0.25 0.54 -1.54 0.02 0.00 0.00 176.35 175.33 3h2x n SER 74 N 5.03 0.83 -4.60 2.29 3.41 -1.26 -3.88 113.62 115.44 3h2x n SER 74 Ca -0.13 -0.92 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 3h2x n SER 74 Cb 0.49 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 65.19 3h2x n SER 74 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h2x s LEU 75 N -2.15 3.59 -0.08 1.04 0.20 -1.26 -5.00 118.68 115.02 3h2x s LEU 75 Ca 0.06 0.56 -0.12 0.00 0.69 0.00 0.00 54.13 55.32 3h2x s LEU 75 Cb 0.08 -3.50 -0.05 0.00 -0.43 0.00 0.00 46.19 42.30 3h2x s LEU 75 CO 0.36 -1.36 0.29 -0.63 -0.29 0.00 0.00 176.35 174.73 3h2x s ILE 76 N 4.93 5.25 0.11 6.68 -1.09 -1.26 -4.99 121.20 130.83 3h2x s ILE 76 Ca 0.53 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 3h2x s ILE 76 Cb -0.10 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 3h2x s ILE 76 CO 0.32 0.54 0.00 0.35 -1.23 0.00 0.00 174.94 174.92 3h2x n THR 77 N 2.33 1.05 -3.63 2.92 -2.24 -1.26 -5.10 114.28 108.36 3h2x n THR 77 Ca -0.15 0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.75 3h2x n THR 77 Cb 0.53 -1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 3h2x n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h2x s SER 78 N -5.84 4.90 -0.88 3.42 1.04 -1.26 -5.03 113.70 110.06 3h2x s SER 78 Ca 0.00 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 3h2x s SER 78 Cb 0.00 -0.18 0.29 0.00 0.10 0.00 0.00 66.02 66.23 3h2x s SER 78 CO 0.00 -0.86 2.10 -0.67 0.98 0.00 0.00 173.24 174.80 3h2x n ASP 79 N -1.67 7.38 -0.16 7.02 2.03 -1.26 -3.56 116.55 126.32 3h2x n ASP 79 Ca 0.03 -3.66 0.00 0.00 0.52 0.00 0.00 54.79 51.68 3h2x n ASP 79 Cb 0.63 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 3h2x n ASP 79 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3h2x n GLU 80 N -0.06 0.00 -3.41 -0.67 0.28 -1.26 -5.10 120.64 110.42 3h2x n GLU 80 Ca 0.52 -0.05 -0.38 0.00 -0.16 0.00 0.00 57.16 57.09 3h2x n GLU 80 Cb 0.28 -0.04 -0.08 0.00 1.43 0.00 0.00 31.44 33.03 3h2x n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3h2x s ASP 81 N -0.02 6.32 0.32 -1.84 1.01 -1.23 -5.08 116.67 116.14 3h2x s ASP 81 Ca 0.00 0.37 0.05 0.00 0.71 0.00 0.00 52.55 53.68 3h2x s ASP 81 Cb 0.00 -2.21 0.05 0.00 1.01 0.00 0.00 42.92 41.77 3h2x s ASP 81 CO 0.00 -0.12 0.43 -1.54 0.21 0.00 0.00 175.17 174.15 3h2x n SER 82 N 4.88 1.16 -0.32 0.27 3.41 -1.26 -4.98 113.62 116.79 3h2x n SER 82 Ca -0.09 -1.84 0.14 0.00 -0.26 0.00 0.00 58.87 56.82 3h2x n SER 82 Cb 0.51 -0.23 0.59 0.00 -0.26 0.00 0.00 64.21 64.83 3h2x n SER 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h2x n SER 83 N -2.62 1.03 -4.79 4.04 3.41 -1.25 -4.77 113.62 108.67 3h2x n SER 83 Ca 0.09 -1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 57.10 3h2x n SER 83 Cb 0.33 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 3h2x n SER 83 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h2x s TYR 84 N -2.13 3.76 -0.18 7.33 5.04 -1.26 -0.45 117.35 129.47 3h2x s TYR 84 Ca 0.37 1.25 -0.19 0.00 -2.44 0.00 0.00 57.07 56.05 3h2x s TYR 84 Cb 0.21 -2.53 0.05 0.00 0.35 0.00 0.00 41.96 40.04 3h2x s TYR 84 CO 0.38 0.51 0.53 -1.50 -1.34 0.00 0.00 175.55 174.13 3h2x s ILE 85 N -0.79 0.00 -0.91 3.14 2.07 -1.26 -4.96 121.20 118.48 3h2x s ILE 85 Ca 0.30 -0.03 -0.24 0.00 -1.41 0.00 0.00 60.65 59.26 3h2x s ILE 85 Cb -0.19 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.65 3h2x s ILE 85 CO 0.18 -0.02 1.61 0.21 -1.91 0.00 0.00 174.94 175.01 3h2x s ASN 86 N 0.06 5.95 -0.10 4.50 3.04 -1.26 -4.64 114.94 122.48 3h2x s ASN 86 Ca -0.02 -0.93 -0.30 0.00 0.04 0.00 0.00 52.86 51.65 3h2x s ASN 86 Cb -0.04 -2.56 0.11 0.00 -1.54 0.00 0.00 41.25 37.22 3h2x s ASN 86 CO 0.02 -2.00 0.92 0.00 -3.04 0.00 0.00 177.10 173.00 3h2x s ALA 87 N 6.95 -1.88 0.05 1.71 0.00 -1.26 -2.70 121.76 124.63 3h2x s ALA 87 Ca 0.53 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.92 3h2x s ALA 87 Cb -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3h2x s ALA 87 CO -0.01 -0.42 -0.08 -0.80 0.00 0.00 0.00 175.76 174.45 3h2x s ASN 88 N -1.47 0.95 0.23 0.00 0.01 -0.22 -1.79 114.94 112.64 3h2x s ASN 88 Ca -0.01 -0.63 -0.20 0.00 -0.71 0.00 0.00 52.86 51.30 3h2x s ASN 88 Cb -0.01 0.04 -0.08 0.00 0.41 0.00 0.00 41.25 41.61 3h2x s ASN 88 CO 0.00 -0.24 0.74 -0.36 -1.51 0.00 0.00 177.10 175.73 3h2x s PHE 89 N -1.76 3.65 -0.09 2.20 0.40 -0.54 -0.97 117.98 120.87 3h2x s PHE 89 Ca -0.06 1.41 0.03 0.00 -0.60 0.00 0.00 56.93 57.71 3h2x s PHE 89 Cb -0.07 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.83 3h2x s PHE 89 CO -0.00 0.33 -0.19 0.42 0.70 0.00 0.00 175.22 176.48 3h2x s ILE 90 N -1.52 1.69 0.44 0.64 1.01 0.24 -4.79 121.20 118.91 3h2x s ILE 90 Ca 0.43 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 3h2x s ILE 90 Cb -0.17 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 3h2x s ILE 90 CO 0.21 0.48 1.31 -0.54 0.00 0.00 0.00 174.94 176.40 3h2x s LYS 91 N 0.58 3.76 0.00 2.79 1.02 -1.24 -1.99 119.74 124.66 3h2x s LYS 91 Ca -0.15 2.14 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3h2x s LYS 91 Cb -0.17 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3h2x s LYS 91 CO 0.05 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 3h2x n GLY 92 N 0.63 4.68 0.21 -3.33 0.00 0.91 -4.83 105.19 103.46 3h2x n GLY 92 Ca 0.05 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 3h2x n GLY 92 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h2x h VAL 93 N 0.25 1.32 0.00 1.61 2.07 -1.96 -3.37 116.25 116.17 3h2x h VAL 93 Ca 0.00 -2.01 -0.23 0.00 0.82 0.00 0.00 66.70 65.29 3h2x h VAL 93 Cb 0.00 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3h2x h VAL 93 CO 0.00 0.63 -2.05 -1.22 0.02 0.00 0.00 177.57 174.94 3h2x n TYR 94 N -3.90 0.00 -4.08 1.57 4.02 -1.26 -5.05 117.16 108.46 3h2x n TYR 94 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.75 3h2x n TYR 94 Cb 0.72 -0.71 -0.10 0.00 -0.02 0.00 0.00 39.34 39.23 3h2x n TYR 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3h2x s GLY 95 N -4.78 0.55 0.15 2.72 0.00 -1.26 -5.00 107.32 99.69 3h2x s GLY 95 Ca -0.08 -1.20 0.24 0.00 0.00 0.00 0.00 44.72 43.68 3h2x s GLY 95 CO 0.69 -1.26 1.73 -1.55 0.00 0.00 0.00 173.10 172.71 3h2x n PRO 96 N 0.04 0.15 -2.40 2.90 -0.04 -1.26 -0.06 135.00 134.32 3h2x n PRO 96 Ca -0.12 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 3h2x n PRO 96 Cb 0.62 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3h2x n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h2x n LYS 97 N -1.98 3.19 -0.07 0.54 5.02 -1.26 -3.69 118.16 119.91 3h2x n LYS 97 Ca 0.04 -4.27 -0.14 0.00 -2.02 0.00 0.00 58.31 51.92 3h2x n LYS 97 Cb 0.30 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 3h2x n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2x h ALA 98 N 2.52 0.50 -3.02 7.82 0.00 -1.59 -3.21 119.26 122.28 3h2x h ALA 98 Ca 0.26 -0.51 -0.37 0.00 0.00 0.00 0.00 54.91 54.29 3h2x h ALA 98 Cb 1.11 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.63 3h2x h ALA 98 CO 0.77 0.68 -0.75 0.71 0.00 0.00 0.00 179.25 180.66 3h2x s TYR 99 N -4.13 1.16 -0.20 0.00 1.51 -0.84 -1.33 117.35 113.53 3h2x s TYR 99 Ca -0.10 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 3h2x s TYR 99 Cb 0.10 -0.64 0.04 0.00 -0.11 0.00 0.00 41.96 41.35 3h2x s TYR 99 CO 0.89 0.05 -0.14 0.42 -1.11 0.00 0.00 175.55 175.65 3h2x s ILE 100 N -1.91 1.87 -0.26 2.71 1.01 -0.03 -0.59 121.20 123.99 3h2x s ILE 100 Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 3h2x s ILE 100 Cb -0.06 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3h2x s ILE 100 CO 0.02 0.29 0.20 0.00 0.00 0.00 0.00 174.94 175.44 3h2x s ALA 101 N 1.31 3.56 0.09 9.38 0.00 -0.14 -0.95 121.76 135.01 3h2x s ALA 101 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 3h2x s ALA 101 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 3h2x s ALA 101 CO -0.09 -0.44 0.06 -0.08 0.00 0.00 0.00 175.76 175.20 3h2x s THR 102 N 1.55 0.16 0.78 0.00 -1.32 -1.02 -1.05 115.64 114.74 3h2x s THR 102 Ca 0.08 -1.68 -0.12 0.00 -1.21 0.00 0.00 61.69 58.76 3h2x s THR 102 Cb -0.15 -1.64 0.06 0.00 -1.51 0.00 0.00 72.50 69.26 3h2x s THR 102 CO 0.09 -0.75 1.11 0.00 -2.21 0.00 0.00 174.62 172.86 3h2x s GLN 103 N -3.94 2.26 0.04 7.08 -2.07 -1.10 -3.62 119.66 118.30 3h2x s GLN 103 Ca 0.12 0.51 -0.30 0.00 -1.82 0.00 0.00 55.36 53.86 3h2x s GLN 103 Cb 0.07 -1.95 -0.06 0.00 -1.09 0.00 0.00 33.01 29.98 3h2x s GLN 103 CO -0.07 -1.47 1.30 0.20 -1.32 0.00 0.00 175.29 173.93 3h2x s GLY 104 N -4.12 2.11 0.56 2.60 0.00 0.17 -4.82 107.32 103.82 3h2x s GLY 104 Ca 0.60 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 46.00 3h2x s GLY 104 CO 0.53 2.27 1.16 -1.55 0.00 0.00 0.00 173.10 175.51 3h2x n PRO 105 N 4.55 1.31 -3.09 2.90 -0.04 -1.26 -4.76 135.00 134.61 3h2x n PRO 105 Ca 0.11 0.49 -0.21 0.00 -0.04 0.00 0.00 63.50 63.85 3h2x n PRO 105 Cb 0.45 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 3h2x n PRO 105 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h2x s LEU 106 N -2.57 3.70 0.59 1.53 1.43 -1.26 -1.34 118.68 120.75 3h2x s LEU 106 Ca 0.73 0.08 0.28 0.00 -1.03 0.00 0.00 54.13 54.20 3h2x s LEU 106 Cb -0.43 -2.99 1.69 0.00 0.03 0.00 0.00 46.19 44.49 3h2x s LEU 106 CO 0.49 -0.67 2.15 0.77 0.23 0.00 0.00 176.35 179.31 3h2x h SER 107 N 0.52 0.00 0.32 2.29 4.64 -1.96 0.74 113.55 120.09 3h2x h SER 107 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3h2x h SER 107 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3h2x h SER 107 CO 0.55 0.00 -0.34 0.35 -0.87 0.00 0.00 176.83 176.51 3h2x n THR 108 N -3.85 0.00 -0.31 2.95 -2.24 -1.26 -4.09 114.28 105.48 3h2x n THR 108 Ca 0.00 -0.08 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3h2x n THR 108 Cb 0.25 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 3h2x n THR 108 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h2x n THR 109 N -0.94 1.21 -0.31 4.28 -2.24 0.21 -4.69 114.28 111.80 3h2x n THR 109 Ca 0.10 -1.30 -0.04 0.00 -2.27 0.00 0.00 64.05 60.53 3h2x n THR 109 Cb 0.34 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 68.97 3h2x n THR 109 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3h2x h LEU 110 N 0.00 1.02 -0.49 3.22 3.38 -1.60 0.89 115.31 121.73 3h2x h LEU 110 Ca 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3h2x h LEU 110 Cb 0.64 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3h2x h LEU 110 CO 0.00 0.81 0.05 0.25 0.09 0.00 0.00 178.44 179.64 3h2x h LEU 111 N 1.15 0.80 -0.87 1.67 5.85 -1.88 -2.43 115.31 119.61 3h2x h LEU 111 Ca 0.30 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3h2x h LEU 111 Cb -0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3h2x h LEU 111 CO -0.05 0.87 0.06 0.44 -0.34 0.00 0.00 178.44 179.42 3h2x h ASP 112 N 0.69 0.86 -0.21 1.25 3.32 -1.77 -0.09 116.42 120.47 3h2x h ASP 112 Ca 0.14 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.03 3h2x h ASP 112 Cb 0.43 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3h2x h ASP 112 CO 0.01 0.89 0.03 0.15 -1.72 0.00 0.00 179.24 178.60 3h2x h PHE 113 N 0.85 0.05 -0.10 4.55 3.57 -0.56 -0.13 116.94 125.16 3h2x h PHE 113 Ca 0.17 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 3h2x h PHE 113 Cb 0.42 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3h2x h PHE 113 CO 0.03 0.01 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.17 3h2x h TRP 114 N 0.11 0.30 -0.61 0.41 4.06 -1.18 -1.51 115.95 117.54 3h2x h TRP 114 Ca 0.10 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.97 3h2x h TRP 114 Cb 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 3h2x h TRP 114 CO -0.16 0.66 0.40 0.00 -3.56 0.00 0.00 178.44 175.78 3h2x h ARG 115 N 0.20 0.78 0.10 0.49 3.08 -0.46 -0.22 114.38 118.37 3h2x h ARG 115 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h2x h ARG 115 Cb 0.88 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3h2x h ARG 115 CO 0.07 0.52 -0.05 1.98 -1.07 0.00 0.00 179.97 181.42 3h2x h MET 116 N 0.80 -0.13 -0.58 0.04 4.05 -0.69 0.13 114.93 118.55 3h2x h MET 116 Ca 0.23 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.74 3h2x h MET 116 Cb -0.07 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.70 3h2x h MET 116 CO -0.06 0.08 0.24 0.82 0.23 0.00 0.00 176.91 178.22 3h2x h ILE 117 N -0.33 0.83 0.12 1.77 1.08 -1.06 -1.91 117.51 118.01 3h2x h ILE 117 Ca -0.01 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3h2x h ILE 117 Cb 0.27 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 3h2x h ILE 117 CO 0.02 0.08 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.26 3h2x h TRP 118 N 0.45 -0.15 -0.84 1.37 2.91 -0.92 -1.90 115.95 116.87 3h2x h TRP 118 Ca 0.28 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.43 3h2x h TRP 118 Cb 0.30 0.05 -0.09 0.00 -0.51 0.00 0.00 29.16 28.91 3h2x h TRP 118 CO -0.14 0.28 0.44 1.49 -1.03 0.00 0.00 178.44 179.47 3h2x h GLU 119 N -0.64 0.64 -0.61 2.65 4.81 -0.61 -1.59 114.58 119.23 3h2x h GLU 119 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3h2x h GLU 119 Cb 0.50 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3h2x h GLU 119 CO 0.03 0.42 0.00 0.66 -0.73 0.00 0.00 179.01 179.39 3h2x n TYR 120 N -4.84 1.05 -4.11 0.92 4.02 -0.73 -4.94 117.16 108.53 3h2x n TYR 120 Ca 0.16 -0.42 -0.33 0.00 -0.01 0.00 0.00 57.90 57.30 3h2x n TYR 120 Cb 0.39 -0.18 -0.01 0.00 -0.02 0.00 0.00 39.34 39.51 3h2x n TYR 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3h2x n SER 121 N 0.75 -3.16 -4.77 7.72 7.64 -0.60 -4.38 113.62 116.82 3h2x n SER 121 Ca 0.18 -0.96 -0.40 0.00 1.01 0.00 0.00 58.87 58.71 3h2x n SER 121 Cb 0.66 -3.06 -0.00 0.00 -1.01 0.00 0.00 64.21 60.79 3h2x n SER 121 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3h2x s VAL 122 N -3.40 2.59 -0.14 0.44 1.01 -0.74 -4.75 120.40 115.42 3h2x s VAL 122 Ca 0.60 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.12 3h2x s VAL 122 Cb -0.32 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 3h2x s VAL 122 CO 0.90 0.08 -0.13 -0.11 0.00 0.00 0.00 175.10 175.85 3h2x n LEU 123 N 0.16 2.88 -4.48 3.92 7.94 -1.26 -4.89 117.00 121.27 3h2x n LEU 123 Ca 0.03 -0.06 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 3h2x n LEU 123 Cb 0.43 -0.48 -0.13 0.00 0.53 0.00 0.00 43.42 43.78 3h2x n LEU 123 CO 0.56 0.71 -0.41 -0.63 -1.11 0.00 0.00 177.39 176.51 3h2x s ILE 124 N -2.28 3.41 -0.10 1.96 -1.09 -1.26 -0.59 121.20 121.25 3h2x s ILE 124 Ca -0.19 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3h2x s ILE 124 Cb 0.05 -2.41 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 3h2x s ILE 124 CO 0.31 0.55 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.79 3h2x s ILE 125 N -0.21 1.55 -0.25 2.92 1.01 -0.63 -1.34 121.20 124.24 3h2x s ILE 125 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3h2x s ILE 125 Cb -0.13 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3h2x s ILE 125 CO 0.03 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.68 3h2x s VAL 126 N 0.86 2.97 -0.32 2.92 1.01 0.16 0.27 120.40 128.27 3h2x s VAL 126 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3h2x s VAL 126 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3h2x s VAL 126 CO 0.00 0.19 0.19 -0.32 0.00 0.00 0.00 175.10 175.16 3h2x s MET 127 N 1.34 3.43 -0.06 2.72 1.75 0.76 -1.38 119.30 127.86 3h2x s MET 127 Ca 0.00 -0.67 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 3h2x s MET 127 Cb -0.17 -3.66 0.19 0.00 2.84 0.00 0.00 34.83 34.03 3h2x s MET 127 CO -0.04 -0.41 0.82 0.00 -0.65 0.00 0.00 175.02 174.73 3h2x n ALA 128 N 5.03 2.85 -3.48 4.11 0.00 0.47 -0.77 120.51 128.72 3h2x n ALA 128 Ca -0.13 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 3h2x n ALA 128 Cb 0.49 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 3h2x n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2x s MET 130 N -3.08 3.41 0.21 0.00 1.00 -1.23 -4.68 119.30 114.93 3h2x s MET 130 Ca 0.02 1.24 -0.09 0.00 0.00 0.00 0.00 55.69 56.86 3h2x s MET 130 Cb -0.01 -2.04 0.29 0.00 0.00 0.00 0.00 34.83 33.07 3h2x s MET 130 CO -0.08 -0.74 1.75 1.49 0.00 0.00 0.00 175.02 177.43 3h2x h GLU 131 N 0.65 0.43 -5.04 2.03 4.81 -1.94 -3.36 114.58 112.16 3h2x h GLU 131 Ca -0.47 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.08 3h2x h GLU 131 Cb 1.22 -0.10 -0.27 0.00 0.63 0.00 0.00 28.75 30.24 3h2x h GLU 131 CO 0.58 0.28 -0.72 0.71 -0.73 0.00 0.00 179.01 179.13 3h2x s TYR 132 N -6.08 2.96 -0.09 0.92 1.51 -1.26 0.49 117.35 115.79 3h2x s TYR 132 Ca -0.13 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.04 3h2x s TYR 132 Cb 0.17 -2.08 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 3h2x s TYR 132 CO 0.75 -0.47 0.21 -2.00 -1.11 0.00 0.00 175.55 172.92 3h2x s GLU 133 N 1.31 0.18 -1.53 -0.62 2.12 0.20 -4.91 118.70 115.47 3h2x s GLU 133 Ca 0.04 0.43 -0.07 0.00 0.36 0.00 0.00 54.97 55.73 3h2x s GLU 133 Cb -0.14 -0.09 0.06 0.00 0.26 0.00 0.00 34.13 34.22 3h2x s GLU 133 CO -0.02 -0.14 0.56 -1.33 -0.54 0.00 0.00 175.26 173.80 3h2x n MET 134 N 3.96 -3.27 -0.91 4.30 2.81 -1.26 -1.44 117.12 121.32 3h2x n MET 134 Ca -0.23 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3h2x n MET 134 Cb 0.54 -4.74 0.00 0.00 -0.71 0.00 0.00 33.22 28.31 3h2x n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h2x n GLY 135 N -1.79 0.94 3.31 3.03 0.00 -1.26 -5.04 105.19 104.38 3h2x n GLY 135 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3h2x n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2x s LYS 136 N -0.09 1.27 -0.31 1.61 -0.14 -0.52 -5.10 119.74 116.45 3h2x s LYS 136 Ca 0.00 -1.16 -0.20 0.00 -1.36 0.00 0.00 55.97 53.25 3h2x s LYS 136 Cb 0.00 -1.56 -0.01 0.00 -1.68 0.00 0.00 37.83 34.58 3h2x s LYS 136 CO 0.00 0.37 0.60 0.21 -0.76 0.00 0.00 175.35 175.77 3h2x s LYS 137 N -1.78 3.85 0.08 1.68 2.20 -1.26 -0.63 119.74 123.87 3h2x s LYS 137 Ca 0.09 0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 55.74 3h2x s LYS 137 Cb -0.10 -3.74 -0.18 0.00 -1.51 0.00 0.00 37.83 32.30 3h2x s LYS 137 CO 0.04 -0.58 1.25 0.87 -0.36 0.00 0.00 175.35 176.57 3h2x h LYS 138 N 8.25 0.69 -2.75 4.03 1.79 -0.21 -3.49 116.57 124.88 3h2x h LYS 138 Ca -0.27 -0.61 0.08 0.00 -2.18 0.00 0.00 60.65 57.68 3h2x h LYS 138 Cb 1.12 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.88 3h2x h LYS 138 CO 0.79 1.21 0.39 0.00 -1.08 0.00 0.00 179.45 180.77 3h2x s GLU 140 N -2.70 4.07 -0.27 0.00 0.41 -0.45 -4.96 118.70 114.80 3h2x s GLU 140 Ca 0.16 0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 55.30 3h2x s GLU 140 Cb -0.04 -2.29 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 3h2x s GLU 140 CO 0.07 0.01 1.46 0.50 -0.49 0.00 0.00 175.26 176.81 3h2x s ARG 141 N -3.27 3.82 0.00 1.61 3.52 -1.26 -4.75 118.95 118.62 3h2x s ARG 141 Ca 0.58 1.41 0.09 0.00 -0.13 0.00 0.00 55.73 57.68 3h2x s ARG 141 Cb -0.10 -3.97 0.15 0.00 -1.56 0.00 0.00 34.95 29.48 3h2x s ARG 141 CO 0.18 -1.25 0.97 2.48 -0.81 0.00 0.00 175.30 176.87 3h2x n TYR 142 N 8.14 0.16 -4.59 5.12 0.18 -1.26 -5.01 117.16 119.90 3h2x n TYR 142 Ca 0.17 -0.20 -0.27 0.00 1.88 0.00 0.00 57.90 59.47 3h2x n TYR 142 Cb 0.46 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.32 3h2x n TYR 142 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3h2x s TRP 143 N -0.87 2.02 0.17 -3.48 -2.14 -1.26 -4.99 118.94 108.39 3h2x s TRP 143 Ca 0.14 -0.97 0.03 0.00 2.66 0.00 0.00 56.10 57.97 3h2x s TRP 143 Cb 0.09 -1.46 -0.05 0.00 -3.10 0.00 0.00 33.47 28.95 3h2x s TRP 143 CO 0.12 0.10 -0.05 0.00 -2.66 0.00 0.00 176.95 174.46 3h2x s ALA 144 N -3.03 1.48 0.31 2.67 0.00 -1.26 -4.99 121.76 116.95 3h2x s ALA 144 Ca 0.24 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.69 3h2x s ALA 144 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3h2x s ALA 144 CO 0.12 -0.21 0.45 -1.21 0.00 0.00 0.00 175.76 174.91 3h2x s GLU 145 N -3.83 3.19 0.53 0.00 0.41 -1.26 -4.33 118.70 113.41 3h2x s GLU 145 Ca 0.21 -0.95 -0.22 0.00 -0.41 0.00 0.00 54.97 53.60 3h2x s GLU 145 Cb 0.05 -2.83 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 3h2x s GLU 145 CO 0.03 0.14 1.38 -2.14 -0.49 0.00 0.00 175.26 174.19 3h2x s PRO 146 N -4.13 3.22 0.00 0.39 0.02 -1.26 -2.21 135.00 131.03 3h2x s PRO 146 Ca 0.43 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3h2x s PRO 146 Cb -0.09 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3h2x s PRO 146 CO 0.31 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 3h2x n GLY 147 N 0.70 2.49 3.88 0.52 0.00 -1.26 -5.00 105.19 106.53 3h2x n GLY 147 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3h2x n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h2x s GLU 148 N 0.00 3.52 0.40 1.61 2.02 -0.94 -5.02 118.70 120.30 3h2x s GLU 148 Ca 0.00 0.54 -0.26 0.00 0.02 0.00 0.00 54.97 55.27 3h2x s GLU 148 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.97 3h2x s GLU 148 CO 0.00 -0.49 1.31 1.41 0.02 0.00 0.00 175.26 177.52 3h2x s MET 149 N -5.05 3.99 0.58 1.61 -2.45 -1.26 -4.90 119.30 111.82 3h2x s MET 149 Ca 0.53 2.18 -0.20 0.00 -1.25 0.00 0.00 55.69 56.95 3h2x s MET 149 Cb -0.11 -2.78 -0.03 0.00 1.25 0.00 0.00 34.83 33.16 3h2x s MET 149 CO 0.51 -0.48 1.32 1.14 1.05 0.00 0.00 175.02 178.55 3h2x s GLN 150 N -2.21 2.93 0.03 4.11 0.00 -1.26 -4.94 119.66 118.31 3h2x s GLN 150 Ca 0.56 2.13 -0.04 0.00 -0.00 0.00 0.00 55.36 58.01 3h2x s GLN 150 Cb -0.39 -2.08 -0.04 0.00 0.00 0.00 0.00 33.01 30.50 3h2x s GLN 150 CO 0.50 -1.32 0.25 -0.51 0.00 0.00 0.00 175.29 174.20 3h2x s LEU 151 N -3.86 4.36 -0.11 2.60 1.43 0.40 -4.88 118.68 118.61 3h2x s LEU 151 Ca 0.76 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 3h2x s LEU 151 Cb -0.38 -2.78 0.02 0.00 0.03 0.00 0.00 46.19 43.08 3h2x s LEU 151 CO 0.43 0.22 -0.11 -1.61 0.23 0.00 0.00 176.35 175.51 3h2x s GLU 152 N -2.04 1.81 -0.29 1.70 2.02 -1.26 0.16 118.70 120.80 3h2x s GLU 152 Ca 0.30 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.93 3h2x s GLU 152 Cb -0.13 -1.71 0.08 0.00 0.10 0.00 0.00 34.13 32.47 3h2x s GLU 152 CO 0.20 -0.18 -0.01 -0.06 0.02 0.00 0.00 175.26 175.23 3h2x s PHE 153 N 1.39 2.95 0.00 1.61 0.40 0.56 -4.99 117.98 119.90 3h2x s PHE 153 Ca 0.00 -2.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.03 3h2x s PHE 153 Cb -0.13 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.26 3h2x s PHE 153 CO -0.06 -0.87 0.00 0.41 0.70 0.00 0.00 175.22 175.40 3h2x n GLY 154 N 4.50 3.38 0.00 4.36 0.00 -1.26 -0.74 105.19 115.43 3h2x n GLY 154 Ca -0.05 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.97 3h2x n GLY 154 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2x n PRO 155 N 14.00 0.89 -3.56 1.61 -0.04 -1.26 -4.83 135.00 141.80 3h2x n PRO 155 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 3h2x n PRO 155 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3h2x n PRO 155 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3h2x s PHE 156 N -2.08 3.62 -0.12 0.54 0.40 0.08 -4.49 117.98 115.94 3h2x s PHE 156 Ca 0.44 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 3h2x s PHE 156 Cb 0.21 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.49 3h2x s PHE 156 CO 0.37 0.53 -0.18 -1.12 0.70 0.00 0.00 175.22 175.51 3h2x s SER 157 N -0.56 2.71 -0.05 1.36 0.01 -0.96 -0.32 113.70 115.88 3h2x s SER 157 Ca 0.21 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 57.03 3h2x s SER 157 Cb -0.15 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 3h2x s SER 157 CO 0.09 0.05 -0.25 -0.69 0.41 0.00 0.00 173.24 172.86 3h2x s VAL 158 N 0.84 2.04 0.18 3.43 1.01 0.12 -1.44 120.40 126.58 3h2x s VAL 158 Ca -0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3h2x s VAL 158 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3h2x s VAL 158 CO -0.00 0.57 0.16 -0.94 0.00 0.00 0.00 175.10 174.89 3h2x s SER 159 N -0.22 0.16 -0.20 3.32 1.04 -0.69 -0.45 113.70 116.66 3h2x s SER 159 Ca -0.02 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.21 3h2x s SER 159 Cb -0.13 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3h2x s SER 159 CO 0.03 -0.84 -0.16 0.00 0.98 0.00 0.00 173.24 173.25 3h2x h GLU 161 N 7.94 0.12 -4.18 0.00 4.81 -1.48 -3.38 114.58 118.42 3h2x h GLU 161 Ca -0.42 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 58.49 3h2x h GLU 161 Cb 1.13 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 3h2x h GLU 161 CO 0.61 0.99 -0.42 0.00 -0.73 0.00 0.00 179.01 179.46 3h2x s ALA 162 N -2.71 0.53 -0.20 2.92 0.00 -1.23 -4.95 121.76 116.12 3h2x s ALA 162 Ca -0.17 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 3h2x s ALA 162 Cb -0.01 1.17 0.09 0.00 0.00 0.00 0.00 23.12 24.37 3h2x s ALA 162 CO 0.74 -0.67 0.40 -2.00 0.00 0.00 0.00 175.76 174.22 3h2x s GLU 163 N -4.08 0.31 -0.25 0.00 2.12 -1.26 -1.34 118.70 114.20 3h2x s GLU 163 Ca 0.29 0.96 -0.10 0.00 0.36 0.00 0.00 54.97 56.48 3h2x s GLU 163 Cb 0.04 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 3h2x s GLU 163 CO 0.08 -0.29 0.14 0.21 -0.54 0.00 0.00 175.26 174.87 3h2x s LYS 164 N 2.59 3.96 -0.22 4.30 2.47 0.58 -4.92 119.74 128.49 3h2x s LYS 164 Ca 0.00 -0.33 -0.17 0.00 -1.56 0.00 0.00 55.97 53.91 3h2x s LYS 164 Cb -0.12 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.71 3h2x s LYS 164 CO -0.13 -0.03 0.47 0.50 0.16 0.00 0.00 175.35 176.33 3h2x s ARG 165 N 1.28 4.13 0.11 4.03 3.52 -1.26 -0.13 118.95 130.63 3h2x s ARG 165 Ca 0.07 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 3h2x s ARG 165 Cb -0.14 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3h2x s ARG 165 CO 0.06 -0.19 0.02 1.63 -0.81 0.00 0.00 175.30 176.01 3h2x n LYS 166 N 4.97 1.64 0.20 5.12 5.02 -0.44 -5.01 118.16 129.66 3h2x n LYS 166 Ca -0.06 -0.78 -0.15 0.00 -2.02 0.00 0.00 58.31 55.30 3h2x n LYS 166 Cb 0.50 0.18 -0.08 0.00 -0.02 0.00 0.00 35.03 35.62 3h2x n LYS 166 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h2x h SER 167 N 0.23 -0.40 -0.00 4.39 0.87 -2.02 -3.36 113.55 113.26 3h2x h SER 167 Ca -0.09 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3h2x h SER 167 Cb 0.27 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3h2x h SER 167 CO 0.14 -0.28 -0.05 0.47 -0.53 0.00 0.00 176.83 176.59 3h2x n ASP 168 N -5.29 1.06 -3.81 6.23 9.92 -1.26 -4.99 116.55 118.41 3h2x n ASP 168 Ca -0.10 -1.03 -0.09 0.00 -0.53 0.00 0.00 54.79 53.04 3h2x n ASP 168 Cb 0.20 0.26 -0.04 0.00 -0.64 0.00 0.00 41.12 40.91 3h2x n ASP 168 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3h2x s TYR 169 N -0.62 -0.05 0.29 1.24 -0.85 -1.26 -1.33 117.35 114.76 3h2x s TYR 169 Ca 0.04 -0.32 0.10 0.00 -0.52 0.00 0.00 57.07 56.37 3h2x s TYR 169 Cb 0.03 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 3h2x s TYR 169 CO 0.08 -1.01 -0.15 0.96 -1.52 0.00 0.00 175.55 173.91 3h2x s ILE 170 N -3.91 2.23 -0.14 -3.49 -4.36 -0.86 -1.33 121.20 109.34 3h2x s ILE 170 Ca 0.12 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.21 3h2x s ILE 170 Cb -0.02 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.34 3h2x s ILE 170 CO 0.02 -0.37 -0.13 -0.63 0.24 0.00 0.00 174.94 174.07 3h2x s ILE 171 N -2.65 1.49 -0.17 8.37 1.01 0.81 -1.15 121.20 128.92 3h2x s ILE 171 Ca 0.30 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 3h2x s ILE 171 Cb -0.02 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3h2x s ILE 171 CO 0.14 0.45 0.08 -0.13 0.00 0.00 0.00 174.94 175.47 3h2x s ARG 172 N 1.49 3.86 -0.62 2.79 0.52 -0.13 -0.31 118.95 126.54 3h2x s ARG 172 Ca 0.04 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.78 3h2x s ARG 172 Cb -0.13 -3.20 0.13 0.00 0.52 0.00 0.00 34.95 32.27 3h2x s ARG 172 CO -0.10 0.38 0.66 0.99 0.02 0.00 0.00 175.30 177.25 3h2x s THR 173 N 0.08 5.05 0.22 0.02 2.01 -0.45 -0.92 115.64 121.65 3h2x s THR 173 Ca 0.06 -1.39 -0.09 0.00 0.31 0.00 0.00 61.69 60.59 3h2x s THR 173 Cb -0.12 -4.45 -0.07 0.00 0.01 0.00 0.00 72.50 67.87 3h2x s THR 173 CO 0.00 -1.05 0.52 -0.76 -0.69 0.00 0.00 174.62 172.65 3h2x s LEU 174 N 2.00 4.18 -0.16 4.42 1.43 0.02 -1.15 118.68 129.43 3h2x s LEU 174 Ca 0.10 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3h2x s LEU 174 Cb -0.23 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.38 3h2x s LEU 174 CO 0.02 -0.05 -0.17 -0.54 0.23 0.00 0.00 176.35 175.84 3h2x s LYS 175 N -2.78 2.58 -0.13 1.70 -0.14 -0.11 -1.44 119.74 119.42 3h2x s LYS 175 Ca 0.46 -0.67 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 3h2x s LYS 175 Cb -0.11 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 3h2x s LYS 175 CO 0.22 -0.21 -0.20 0.54 -0.76 0.00 0.00 175.35 174.93 3h2x s VAL 176 N 1.36 2.26 -0.13 3.17 0.11 -0.43 -1.71 120.40 125.03 3h2x s VAL 176 Ca 0.04 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.15 3h2x s VAL 176 Cb -0.13 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3h2x s VAL 176 CO -0.11 0.54 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.38 3h2x s LYS 177 N 0.65 3.43 0.00 1.54 2.20 -0.52 -0.85 119.74 126.19 3h2x s LYS 177 Ca -0.10 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 3h2x s LYS 177 Cb -0.16 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3h2x s LYS 177 CO 0.02 0.30 0.00 0.34 -0.36 0.00 0.00 175.35 175.65 3h2x n PHE 178 N 3.32 0.00 -2.71 4.03 7.35 0.80 -2.27 117.46 127.97 3h2x n PHE 178 Ca -0.18 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.08 3h2x n PHE 178 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 3h2x n PHE 178 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3h2x n ASN 179 N 0.00 5.38 0.00 -2.13 2.04 -1.26 -4.44 115.26 114.85 3h2x n ASN 179 Ca 0.00 -3.11 0.00 0.00 -0.44 0.00 0.00 54.58 51.03 3h2x n ASN 179 Cb 0.00 -1.46 0.00 0.00 -2.53 0.00 0.00 39.78 35.79 3h2x n ASN 179 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3h2x n SER 180 N 3.88 0.00 -4.88 0.53 7.64 -1.26 -4.97 113.62 114.56 3h2x n SER 180 Ca 0.35 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.88 3h2x n SER 180 Cb 0.38 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 3h2x n SER 180 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3h2x s GLU 181 N -0.02 3.58 -0.07 1.43 2.12 -1.26 -5.10 118.70 119.37 3h2x s GLU 181 Ca 0.00 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.30 3h2x s GLU 181 Cb 0.00 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3h2x s GLU 181 CO 0.00 0.67 -0.15 0.99 -0.54 0.00 0.00 175.26 176.23 3h2x s THR 182 N -1.26 1.31 0.30 -1.70 2.01 -1.26 -0.14 115.64 114.90 3h2x s THR 182 Ca 0.26 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.77 3h2x s THR 182 Cb -0.13 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 3h2x s THR 182 CO 0.15 0.39 -0.16 -0.13 -0.69 0.00 0.00 174.62 174.18 3h2x s ARG 183 N 0.52 1.70 -0.14 4.92 0.52 -0.03 -4.96 118.95 121.49 3h2x s ARG 183 Ca -0.14 -1.82 -0.00 0.00 -0.52 0.00 0.00 55.73 53.25 3h2x s ARG 183 Cb -0.15 -1.69 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 3h2x s ARG 183 CO 0.04 0.25 -0.12 0.99 0.02 0.00 0.00 175.30 176.48 3h2x s THR 184 N -2.59 3.07 -0.06 0.02 2.01 -1.26 -1.31 115.64 115.52 3h2x s THR 184 Ca 0.30 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3h2x s THR 184 Cb -0.02 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 3h2x s THR 184 CO 0.15 0.52 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.76 3h2x s ILE 185 N 0.46 1.71 -0.40 1.82 1.09 -0.52 -4.87 121.20 120.48 3h2x s ILE 185 Ca -0.09 -0.85 -0.15 0.00 -1.10 0.00 0.00 60.65 58.46 3h2x s ILE 185 Cb -0.16 -1.47 0.01 0.00 -1.06 0.00 0.00 42.46 39.79 3h2x s ILE 185 CO 0.05 0.48 0.29 -0.31 -0.10 0.00 0.00 174.94 175.35 3h2x s TYR 186 N 0.14 3.24 -0.37 3.97 1.51 0.24 -0.80 117.35 125.29 3h2x s TYR 186 Ca -0.09 -0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 3h2x s TYR 186 Cb -0.14 -2.57 -0.00 0.00 -0.11 0.00 0.00 41.96 39.14 3h2x s TYR 186 CO 0.04 -0.56 0.32 -1.14 -1.11 0.00 0.00 175.55 173.10 3h2x s GLN 187 N 1.68 3.34 -0.22 -0.62 0.74 -0.09 -1.61 119.66 122.88 3h2x s GLN 187 Ca 0.05 -0.68 -0.19 0.00 0.05 0.00 0.00 55.36 54.59 3h2x s GLN 187 Cb -0.19 -3.87 -0.03 0.00 1.10 0.00 0.00 33.01 30.03 3h2x s GLN 187 CO 0.10 -0.60 0.58 -0.06 -0.55 0.00 0.00 175.29 174.76 3h2x s PHE 188 N 1.86 3.34 -0.39 1.67 0.40 0.14 -0.96 117.98 124.04 3h2x s PHE 188 Ca 0.08 0.81 0.02 0.00 -0.60 0.00 0.00 56.93 57.24 3h2x s PHE 188 Cb -0.17 -2.76 0.11 0.00 0.51 0.00 0.00 43.02 40.71 3h2x s PHE 188 CO 0.11 -0.20 0.13 -1.58 0.70 0.00 0.00 175.22 174.38 3h2x s HIS 189 N 2.01 3.65 -0.09 0.36 2.46 -0.30 -0.17 115.29 123.21 3h2x s HIS 189 Ca 0.26 -2.85 -0.30 0.00 0.47 0.00 0.00 55.06 52.64 3h2x s HIS 189 Cb -0.16 -3.02 -0.04 0.00 -0.13 0.00 0.00 32.58 29.24 3h2x s HIS 189 CO 0.09 -0.93 1.48 -0.47 -2.47 0.00 0.00 174.74 172.44 3h2x s TYR 190 N 0.83 2.37 -0.22 3.88 5.04 0.05 -2.03 117.35 127.27 3h2x s TYR 190 Ca 0.11 0.55 0.12 0.00 -2.44 0.00 0.00 57.07 55.41 3h2x s TYR 190 Cb -0.21 -3.74 0.44 0.00 0.35 0.00 0.00 41.96 38.81 3h2x s TYR 190 CO -0.06 -2.92 1.20 1.63 -1.34 0.00 0.00 175.55 174.06 3h2x n LYS 191 N 6.81 2.15 -2.70 4.97 5.02 -0.44 -3.29 118.16 130.69 3h2x n LYS 191 Ca 0.16 -3.49 -0.05 0.00 -2.02 0.00 0.00 58.31 52.91 3h2x n LYS 191 Cb 0.44 -1.69 0.11 0.00 -0.02 0.00 0.00 35.03 33.87 3h2x n LYS 191 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h2x n ASN 192 N -0.77 -1.20 -4.68 4.39 5.15 -1.14 -4.91 115.26 112.10 3h2x n ASN 192 Ca 0.26 -2.36 -0.42 0.00 -0.60 0.00 0.00 54.58 51.46 3h2x n ASN 192 Cb 0.84 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.72 3h2x n ASN 192 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3h2x s TRP 193 N -0.40 2.58 0.37 1.20 -0.11 -1.26 -4.94 118.94 116.38 3h2x s TRP 193 Ca 0.18 0.65 -0.26 0.00 1.22 0.00 0.00 56.10 57.89 3h2x s TRP 193 Cb 0.42 -3.72 -0.12 0.00 -1.50 0.00 0.00 33.47 28.55 3h2x s TRP 193 CO -0.09 -2.78 1.03 -0.35 -4.62 0.00 0.00 176.95 170.13 3h2x n PRO 194 N 6.09 1.41 0.00 5.86 -0.04 -1.26 -4.98 135.00 142.09 3h2x n PRO 194 Ca 0.15 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3h2x n PRO 194 Cb 0.43 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 3h2x n PRO 194 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h2x n ASP 195 N 0.76 0.00 -3.95 3.54 4.64 -1.26 -4.54 116.55 115.74 3h2x n ASP 195 Ca 0.09 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 53.20 3h2x n ASP 195 Cb 0.37 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.33 3h2x n ASP 195 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 3h2x s HIS 196 N 0.00 3.55 -0.30 -0.67 3.76 -1.26 -4.99 115.29 115.38 3h2x s HIS 196 Ca 0.00 -3.23 -0.16 0.00 -0.15 0.00 0.00 55.06 51.52 3h2x s HIS 196 Cb 0.00 -2.84 0.17 0.00 1.11 0.00 0.00 32.58 31.02 3h2x s HIS 196 CO 0.00 -0.63 1.18 0.34 -0.85 0.00 0.00 174.74 174.78 3h2x s ASP 197 N -0.92 -0.19 -0.07 1.40 2.15 -1.26 -5.07 116.67 112.72 3h2x s ASP 197 Ca 0.23 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 53.17 3h2x s ASP 197 Cb -0.10 1.15 -0.29 0.00 -0.30 0.00 0.00 42.92 43.38 3h2x s ASP 197 CO -0.12 -0.03 0.67 -0.37 -0.17 0.00 0.00 175.17 175.15 3h2x h VAL 198 N 5.04 1.10 -0.84 1.11 -1.51 -1.94 -3.35 116.25 115.86 3h2x h VAL 198 Ca -0.11 -2.47 0.19 0.00 -1.23 0.00 0.00 66.70 63.07 3h2x h VAL 198 Cb 1.18 2.83 -0.16 0.00 -2.13 0.00 0.00 31.29 33.01 3h2x h VAL 198 CO -0.19 0.76 -0.11 -0.65 -1.23 0.00 0.00 177.57 176.14 3h2x h PRO 199 N -0.17 0.03 0.00 5.19 0.11 -1.97 0.33 132.00 135.53 3h2x h PRO 199 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3h2x h PRO 199 Cb 1.87 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.97 3h2x h PRO 199 CO 0.12 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.36 3h2x n SER 200 N -5.48 0.29 -0.40 -2.05 7.64 -1.26 -3.39 113.62 108.96 3h2x n SER 200 Ca 0.14 0.55 0.09 0.00 1.01 0.00 0.00 58.87 60.67 3h2x n SER 200 Cb 0.49 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3h2x n SER 200 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h2x n SER 201 N -1.80 1.75 0.47 6.43 3.41 0.11 -4.63 113.62 119.36 3h2x n SER 201 Ca 0.04 -1.38 -0.20 0.00 -0.26 0.00 0.00 58.87 57.08 3h2x n SER 201 Cb 0.25 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 3h2x n SER 201 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h2x h ILE 202 N 1.98 0.10 -0.26 -1.33 2.04 -1.47 -2.52 117.51 116.05 3h2x h ILE 202 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3h2x h ILE 202 Cb 0.62 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3h2x h ILE 202 CO 0.00 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.64 3h2x h ASP 203 N -1.20 0.01 -0.79 1.72 3.45 -1.82 -1.10 116.42 116.69 3h2x h ASP 203 Ca -0.12 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.39 3h2x h ASP 203 Cb 0.93 0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.72 3h2x h ASP 203 CO 0.18 0.04 0.51 1.55 -1.57 0.00 0.00 179.24 179.95 3h2x h PRO 204 N 0.15 1.04 -0.14 3.56 0.13 -1.82 0.38 132.00 135.30 3h2x h PRO 204 Ca 0.12 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 65.05 3h2x h PRO 204 Cb 0.13 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 3h2x h PRO 204 CO -0.16 0.70 -0.48 0.82 -0.23 0.00 0.00 178.00 178.65 3h2x h ILE 205 N 1.07 1.33 -0.06 -3.56 2.04 -1.07 -1.48 117.51 115.78 3h2x h ILE 205 Ca 0.29 -1.69 -0.13 0.00 1.00 0.00 0.00 64.86 64.32 3h2x h ILE 205 Cb -0.11 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3h2x h ILE 205 CO -0.06 0.51 -0.55 -0.07 0.00 0.00 0.00 178.15 177.99 3h2x h LEU 206 N 0.29 0.19 -0.36 1.44 3.38 -0.61 -2.09 115.31 117.56 3h2x h LEU 206 Ca 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3h2x h LEU 206 Cb 0.95 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3h2x h LEU 206 CO 0.08 0.70 0.16 -0.08 0.09 0.00 0.00 178.44 179.40 3h2x h GLU 207 N 0.14 0.52 -0.04 1.13 4.57 -0.50 0.13 114.58 120.53 3h2x h GLU 207 Ca 0.00 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3h2x h GLU 207 Cb 1.01 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.48 3h2x h GLU 207 CO 0.08 0.48 -0.09 1.25 -1.18 0.00 0.00 179.01 179.55 3h2x h LEU 208 N 0.44 -0.28 -0.74 1.64 5.85 -1.02 -0.45 115.31 120.74 3h2x h LEU 208 Ca 0.12 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3h2x h LEU 208 Cb 0.14 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3h2x h LEU 208 CO -0.01 -0.13 0.33 0.40 -0.34 0.00 0.00 178.44 178.68 3h2x h ILE 209 N -0.14 1.25 -0.55 4.05 2.04 -1.14 0.01 117.51 123.02 3h2x h ILE 209 Ca 0.05 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3h2x h ILE 209 Cb 0.21 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3h2x h ILE 209 CO -0.13 0.30 0.35 -0.25 0.00 0.00 0.00 178.15 178.43 3h2x h TRP 210 N 1.06 0.71 -0.04 1.37 2.91 -0.45 -1.05 115.95 120.46 3h2x h TRP 210 Ca 0.25 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.28 3h2x h TRP 210 Cb 0.17 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3h2x h TRP 210 CO 0.01 0.47 0.03 0.22 -1.03 0.00 0.00 178.44 178.14 3h2x h ASP 211 N 0.75 0.05 -0.70 2.65 1.82 -0.60 -2.49 116.42 117.89 3h2x h ASP 211 Ca 0.20 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.89 3h2x h ASP 211 Cb -0.05 -0.01 -0.05 0.00 0.68 0.00 0.00 39.33 39.89 3h2x h ASP 211 CO -0.04 0.04 0.41 0.58 -1.61 0.00 0.00 179.24 178.62 3h2x h VAL 212 N 0.05 1.00 0.00 2.25 2.07 -0.74 -1.06 116.25 119.82 3h2x h VAL 212 Ca 0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3h2x h VAL 212 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3h2x h VAL 212 CO -0.00 0.14 0.00 0.54 0.02 0.00 0.00 177.57 178.26 3h2x n ARG 213 N -4.74 0.05 0.18 1.57 5.12 -0.42 -1.44 116.66 116.98 3h2x n ARG 213 Ca 0.09 0.21 0.07 0.00 -1.93 0.00 0.00 57.85 56.29 3h2x n ARG 213 Cb 0.16 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.13 3h2x n ARG 213 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h2x h TYR 215 N 0.00 0.43 -3.20 0.00 -1.99 -1.27 -3.45 116.97 107.49 3h2x h TYR 215 Ca -0.00 -0.32 -0.46 0.00 2.00 0.00 0.00 58.73 59.95 3h2x h TYR 215 Cb 1.13 -0.02 -0.40 0.00 2.00 0.00 0.00 36.73 39.44 3h2x h TYR 215 CO 0.00 1.64 -0.76 -1.14 -0.00 0.00 0.00 178.16 177.91 3h2x s GLN 216 N -2.57 0.34 0.27 4.88 0.74 -0.88 -5.02 119.66 117.42 3h2x s GLN 216 Ca -0.19 -0.09 0.23 0.00 0.05 0.00 0.00 55.36 55.37 3h2x s GLN 216 Cb 0.07 -1.56 0.20 0.00 1.10 0.00 0.00 33.01 32.81 3h2x s GLN 216 CO 0.79 -0.54 1.30 1.05 -0.55 0.00 0.00 175.29 177.34 3h2x h GLU 217 N 8.35 0.00 0.00 1.67 4.11 -1.88 -3.38 114.58 123.46 3h2x h GLU 217 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3h2x h GLU 217 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3h2x h GLU 217 CO 0.28 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 178.96 3h2x n ASP 218 N -2.73 1.05 -1.25 3.06 3.85 -1.26 -5.06 116.55 114.21 3h2x n ASP 218 Ca 0.02 -0.03 -0.01 0.00 -0.71 0.00 0.00 54.79 54.06 3h2x n ASP 218 Cb 0.52 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.53 3h2x n ASP 218 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3h2x n ASP 219 N -0.07 3.45 -0.15 -1.12 8.00 -1.26 -4.74 116.55 120.67 3h2x n ASP 219 Ca 0.00 -3.39 0.14 0.00 0.71 0.00 0.00 54.79 52.25 3h2x n ASP 219 Cb 0.00 -0.63 0.50 0.00 -0.02 0.00 0.00 41.12 40.97 3h2x n ASP 219 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3h2x h SER 220 N 1.54 0.39 -4.75 -2.24 4.64 -1.96 -3.42 113.55 107.76 3h2x h SER 220 Ca 0.17 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.29 3h2x h SER 220 Cb 1.77 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.62 3h2x h SER 220 CO 0.43 0.21 -0.71 0.68 -0.87 0.00 0.00 176.83 176.57 3h2x s VAL 221 N -5.41 0.56 0.36 0.95 -7.23 -1.26 -5.10 120.40 103.26 3h2x s VAL 221 Ca -0.08 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 3h2x s VAL 221 Cb 0.21 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 3h2x s VAL 221 CO 0.76 -0.71 1.14 -2.84 -0.31 0.00 0.00 175.10 173.13 3h2x s PRO 222 N -3.01 4.28 -0.22 4.82 0.02 -1.21 -4.81 135.00 134.86 3h2x s PRO 222 Ca 0.03 1.79 -0.10 0.00 0.02 0.00 0.00 61.00 62.74 3h2x s PRO 222 Cb 0.00 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.63 3h2x s PRO 222 CO -0.04 -0.11 0.15 0.42 -0.33 0.00 0.00 177.00 177.10 3h2x s ILE 223 N -1.36 5.38 -0.24 2.83 1.01 -0.44 -4.15 121.20 124.23 3h2x s ILE 223 Ca 0.53 0.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.22 3h2x s ILE 223 Cb -0.30 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3h2x s ILE 223 CO 0.38 0.38 0.38 0.00 0.00 0.00 0.00 174.94 176.08 3h2x s ILE 225 N 1.68 1.76 0.17 0.00 1.01 -0.12 0.39 121.20 126.09 3h2x s ILE 225 Ca 0.17 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 3h2x s ILE 225 Cb -0.15 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.92 3h2x s ILE 225 CO 0.09 0.50 1.03 -1.38 0.00 0.00 0.00 174.94 175.18 3h2x s HIS 226 N -0.38 0.03 0.00 3.97 -3.43 -0.48 -2.45 115.29 112.56 3h2x s HIS 226 Ca 0.05 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 3h2x s HIS 226 Cb -0.10 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 3h2x s HIS 226 CO 0.00 -0.89 0.00 0.00 -2.00 0.00 0.00 174.74 171.86 3h2x n SER 228 N -0.12 0.31 0.14 0.00 2.88 -1.26 -3.15 113.62 112.42 3h2x n SER 228 Ca 0.00 0.04 0.09 0.00 -1.33 0.00 0.00 58.87 57.67 3h2x n SER 228 Cb 0.00 -0.20 0.05 0.00 -0.75 0.00 0.00 64.21 63.31 3h2x n SER 228 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h2x h ALA 229 N -0.46 0.72 -0.56 -1.46 0.00 -1.88 0.49 119.26 116.10 3h2x h ALA 229 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3h2x h ALA 229 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h2x h ALA 229 CO 0.00 0.21 -0.04 0.41 0.00 0.00 0.00 179.25 179.83 3h2x n GLY 230 N 1.19 0.48 1.68 0.00 0.00 -1.24 -4.04 105.19 103.26 3h2x n GLY 230 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3h2x n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2x n GLY 232 N 2.11 -1.71 0.34 0.00 0.00 -1.26 -1.21 105.19 103.45 3h2x n GLY 232 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3h2x n GLY 232 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h2x h ARG 233 N 0.00 0.21 -0.53 1.61 3.08 -1.97 -0.20 114.38 116.58 3h2x h ARG 233 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3h2x h ARG 233 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3h2x h ARG 233 CO 0.00 0.14 0.32 1.15 -1.07 0.00 0.00 179.97 180.52 3h2x h THR 234 N 0.22 1.07 -0.25 2.04 2.02 -1.90 -2.00 112.91 114.12 3h2x h THR 234 Ca 0.21 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3h2x h THR 234 Cb 0.56 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3h2x h THR 234 CO -0.04 0.12 -0.34 1.23 0.37 0.00 0.00 175.52 176.86 3h2x h GLY 235 N 0.65 0.58 0.92 2.16 0.00 0.29 -2.25 103.07 105.42 3h2x h GLY 235 Ca 0.21 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3h2x h GLY 235 CO -0.09 0.48 0.22 -2.08 0.00 0.00 0.00 176.54 175.07 3h2x h VAL 236 N 0.45 1.04 -0.23 4.60 2.07 -0.84 -0.69 116.25 122.65 3h2x h VAL 236 Ca 0.05 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3h2x h VAL 236 Cb 0.81 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3h2x h VAL 236 CO 0.07 0.08 -0.12 0.40 0.02 0.00 0.00 177.57 178.02 3h2x h ILE 237 N 0.44 1.30 -0.19 4.57 2.04 -1.28 -1.68 117.51 122.72 3h2x h ILE 237 Ca 0.14 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3h2x h ILE 237 Cb -0.00 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3h2x h ILE 237 CO -0.06 0.37 0.10 0.00 0.00 0.00 0.00 178.15 178.56 3h2x h ALA 239 N 1.09 0.56 -0.22 0.00 0.00 -1.12 0.12 119.26 119.69 3h2x h ALA 239 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h2x h ALA 239 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h2x h ALA 239 CO -0.05 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.02 3h2x h ILE 240 N 0.59 1.26 -0.50 0.00 2.04 -1.12 -1.80 117.51 117.98 3h2x h ILE 240 Ca 0.16 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3h2x h ILE 240 Cb -0.06 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3h2x h ILE 240 CO -0.04 0.28 0.19 -0.78 0.00 0.00 0.00 178.15 177.80 3h2x h ASP 241 N 0.16 0.70 -0.28 1.72 1.82 -0.76 -0.57 116.42 119.21 3h2x h ASP 241 Ca 0.06 -0.18 0.04 0.00 -0.39 0.00 0.00 57.03 56.56 3h2x h ASP 241 Cb 0.42 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 3h2x h ASP 241 CO 0.01 0.69 0.07 0.22 -1.61 0.00 0.00 179.24 178.62 3h2x h TYR 242 N 0.67 0.13 -0.72 0.28 3.20 -0.74 -0.32 116.97 119.46 3h2x h TYR 242 Ca 0.17 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3h2x h TYR 242 Cb 0.22 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3h2x h TYR 242 CO 0.01 0.05 0.47 1.15 -1.64 0.00 0.00 178.16 178.19 3h2x h THR 243 N 0.19 1.16 -0.90 1.81 2.02 -1.06 -1.67 112.91 114.46 3h2x h THR 243 Ca 0.13 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3h2x h THR 243 Cb 0.12 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 3h2x h THR 243 CO -0.15 0.17 0.51 -0.25 0.37 0.00 0.00 175.52 176.17 3h2x h TRP 244 N 0.95 1.23 -0.78 3.16 2.91 -0.37 -1.35 115.95 121.70 3h2x h TRP 244 Ca 0.27 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.24 3h2x h TRP 244 Cb -0.07 -0.40 -0.04 0.00 -0.51 0.00 0.00 29.16 28.14 3h2x h TRP 244 CO -0.03 0.84 0.36 0.52 -1.03 0.00 0.00 178.44 179.10 3h2x h MET 245 N 1.26 1.12 -0.58 2.65 2.86 -0.37 0.39 114.93 122.26 3h2x h MET 245 Ca 0.32 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3h2x h MET 245 Cb 0.00 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3h2x h MET 245 CO -0.05 0.87 0.21 -0.07 1.06 0.00 0.00 176.91 178.92 3h2x h LEU 246 N 1.11 0.82 -0.23 1.22 3.38 -0.62 -0.55 115.31 120.44 3h2x h LEU 246 Ca 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3h2x h LEU 246 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h2x h LEU 246 CO -0.03 0.79 0.09 -0.07 0.09 0.00 0.00 178.44 179.31 3h2x h LEU 247 N 0.80 0.32 -0.96 1.67 3.38 -0.67 0.20 115.31 120.06 3h2x h LEU 247 Ca 0.19 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3h2x h LEU 247 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3h2x h LEU 247 CO -0.01 0.40 -0.14 0.11 0.09 0.00 0.00 178.44 178.89 3h2x h LYS 248 N 0.23 0.60 -0.00 1.13 1.57 -0.84 -1.38 116.57 117.88 3h2x h LYS 248 Ca 0.08 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3h2x h LYS 248 Cb 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3h2x h LYS 248 CO -0.01 0.72 -0.00 -3.47 -0.57 0.00 0.00 179.45 176.12 3h2x n ASP 249 N -4.17 0.01 -3.51 0.86 4.64 -0.22 -4.90 116.55 109.26 3h2x n ASP 249 Ca 0.01 -0.57 -0.23 0.00 -1.38 0.00 0.00 54.79 52.61 3h2x n ASP 249 Cb 0.35 -0.14 0.08 0.00 -1.04 0.00 0.00 41.12 40.37 3h2x n ASP 249 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h2x n GLY 250 N 1.15 -0.51 0.23 0.27 0.00 -0.52 -4.93 105.19 100.88 3h2x n GLY 250 Ca 0.19 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.52 3h2x n GLY 250 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3h2x n ILE 251 N -4.94 1.47 -1.68 -0.61 0.13 0.62 -4.67 119.36 109.68 3h2x n ILE 251 Ca 0.01 -1.82 -0.44 0.00 -1.10 0.00 0.00 62.75 59.40 3h2x n ILE 251 Cb 0.56 -0.06 -0.04 0.00 -0.84 0.00 0.00 39.64 39.27 3h2x n ILE 251 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3h2x n ILE 252 N -1.07 0.50 -1.55 9.51 2.08 -1.23 -4.94 119.36 122.65 3h2x n ILE 252 Ca 0.13 -0.09 -0.31 0.00 0.56 0.00 0.00 62.75 63.04 3h2x n ILE 252 Cb 0.67 -2.08 0.07 0.00 -0.75 0.00 0.00 39.64 37.54 3h2x n ILE 252 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h2x s PRO 253 N 3.37 2.61 0.56 0.38 0.04 -1.26 -4.95 135.00 135.75 3h2x s PRO 253 Ca 0.86 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 3h2x s PRO 253 Cb -0.53 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3h2x s PRO 253 CO 0.42 -1.30 1.25 -1.21 0.04 0.00 0.00 177.00 176.19 3h2x s GLU 254 N -5.08 3.11 -1.47 4.56 2.02 -1.26 -2.87 118.70 117.71 3h2x s GLU 254 Ca 0.59 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 57.41 3h2x s GLU 254 Cb -0.14 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.06 3h2x s GLU 254 CO 0.55 -1.13 0.97 0.09 0.02 0.00 0.00 175.26 175.76 3h2x n ASN 255 N -1.28 -5.38 -4.68 -0.19 3.02 -1.26 -4.89 115.26 100.59 3h2x n ASN 255 Ca 0.12 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.63 3h2x n ASN 255 Cb 0.48 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 3h2x n ASN 255 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3h2x n PHE 256 N -4.71 2.06 -3.77 3.10 7.35 -1.14 -4.99 117.46 115.36 3h2x n PHE 256 Ca 0.01 0.55 -0.17 0.00 -0.76 0.00 0.00 57.45 57.08 3h2x n PHE 256 Cb 0.55 -2.37 -0.17 0.00 0.35 0.00 0.00 39.48 37.84 3h2x n PHE 256 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3h2x s SER 257 N -0.44 0.52 0.22 -2.13 0.15 -1.26 -5.01 113.70 105.74 3h2x s SER 257 Ca 0.58 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.21 3h2x s SER 257 Cb -0.56 -0.14 0.20 0.00 -1.71 0.00 0.00 66.02 63.82 3h2x s SER 257 CO 0.60 -0.16 1.68 0.58 1.20 0.00 0.00 173.24 177.14 3h2x h VAL 258 N 6.33 1.26 -0.08 4.45 2.07 -1.99 -0.03 116.25 128.26 3h2x h VAL 258 Ca -0.34 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.03 3h2x h VAL 258 Cb 1.12 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3h2x h VAL 258 CO 0.37 0.41 -0.04 0.15 0.02 0.00 0.00 177.57 178.48 3h2x h PHE 259 N 0.79 -0.10 -0.48 1.57 3.57 -2.00 -1.34 116.94 118.96 3h2x h PHE 259 Ca 0.14 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 3h2x h PHE 259 Cb 0.58 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3h2x h PHE 259 CO 0.03 -0.07 -0.13 0.77 -2.23 0.00 0.00 178.31 176.69 3h2x h SER 260 N -0.04 0.90 -0.30 0.41 0.02 -1.93 -2.03 113.55 110.58 3h2x h SER 260 Ca 0.05 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3h2x h SER 260 Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3h2x h SER 260 CO -0.10 1.03 0.19 0.25 -1.14 0.00 0.00 176.83 177.06 3h2x h LEU 261 N 0.80 0.33 -0.73 5.07 5.85 -0.69 0.18 115.31 126.12 3h2x h LEU 261 Ca 0.13 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3h2x h LEU 261 Cb 0.66 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3h2x h LEU 261 CO 0.05 0.24 0.30 0.40 -0.34 0.00 0.00 178.44 179.09 3h2x h ILE 262 N 0.39 1.25 -0.44 4.05 1.08 -1.14 -0.98 117.51 121.71 3h2x h ILE 262 Ca 0.11 -0.77 -0.06 0.00 -0.39 0.00 0.00 64.86 63.75 3h2x h ILE 262 Cb -0.03 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 3h2x h ILE 262 CO -0.03 0.31 0.01 0.03 -0.69 0.00 0.00 178.15 177.78 3h2x h ARG 263 N 1.05 0.72 -0.78 2.37 3.08 -0.95 0.30 114.38 120.17 3h2x h ARG 263 Ca 0.25 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3h2x h ARG 263 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3h2x h ARG 263 CO -0.02 0.72 0.29 0.93 -1.07 0.00 0.00 179.97 180.82 3h2x h GLU 264 N 0.68 1.18 0.00 0.04 5.08 0.06 -2.50 114.58 119.13 3h2x h GLU 264 Ca 0.14 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3h2x h GLU 264 Cb 0.40 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3h2x h GLU 264 CO 0.01 0.97 -0.64 0.52 -1.00 0.00 0.00 179.01 178.87 3h2x h MET 265 N 1.15 0.00 0.00 2.33 2.86 -0.78 -3.00 114.93 117.49 3h2x h MET 265 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3h2x h MET 265 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3h2x h MET 265 CO -0.02 0.64 0.00 0.54 1.06 0.00 0.00 176.91 179.14 3h2x n ARG 266 N -3.52 0.20 0.00 1.72 1.74 0.06 -1.59 116.66 115.27 3h2x n ARG 266 Ca -0.00 0.46 0.14 0.00 -0.77 0.00 0.00 57.85 57.68 3h2x n ARG 266 Cb 0.70 -1.90 0.61 0.00 -1.02 0.00 0.00 32.46 30.84 3h2x n ARG 266 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h2x n THR 267 N -2.28 0.00 -0.04 0.55 -2.24 -1.08 -3.86 114.28 105.32 3h2x n THR 267 Ca 0.02 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 3h2x n THR 267 Cb 0.21 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3h2x n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h2x n GLN 268 N -1.46 2.44 -3.69 -0.78 6.02 -0.62 -4.97 117.38 114.32 3h2x n GLN 268 Ca 0.08 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.90 3h2x n GLN 268 Cb 0.33 -1.22 -0.15 0.00 1.02 0.00 0.00 30.24 30.21 3h2x n GLN 268 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3h2x s ARG 269 N -2.24 0.07 0.59 -1.09 6.06 -0.89 -4.66 118.95 116.78 3h2x s ARG 269 Ca -0.04 0.54 -0.19 0.00 -2.50 0.00 0.00 55.73 53.53 3h2x s ARG 269 Cb 0.03 -0.22 -0.03 0.00 0.06 0.00 0.00 34.95 34.78 3h2x s ARG 269 CO 0.36 -0.27 1.26 -1.25 -2.50 0.00 0.00 175.30 172.90 3h2x s PRO 270 N 2.00 2.94 -2.00 5.12 0.04 -1.26 -3.60 135.00 138.24 3h2x s PRO 270 Ca -0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3h2x s PRO 270 Cb -0.12 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3h2x s PRO 270 CO -0.06 -1.27 0.00 0.43 0.04 0.00 0.00 177.00 176.14 3h2x n SER 271 N -1.50 -5.34 -4.66 6.66 7.64 -1.26 -4.86 113.62 110.31 3h2x n SER 271 Ca 0.13 0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.95 3h2x n SER 271 Cb 0.48 -4.66 -0.03 0.00 -1.01 0.00 0.00 64.21 58.99 3h2x n SER 271 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3h2x n LEU 272 N -2.49 3.98 -1.69 -3.43 7.94 -1.24 -3.67 117.00 116.42 3h2x n LEU 272 Ca -0.21 0.86 -0.01 0.00 -1.11 0.00 0.00 56.01 55.55 3h2x n LEU 272 Cb 0.66 -1.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.10 3h2x n LEU 272 CO 0.29 0.10 -0.11 0.52 -1.11 0.00 0.00 177.39 177.08 3h2x n VAL 273 N 5.65 -4.50 0.05 1.96 0.31 -0.35 -4.87 118.33 116.58 3h2x n VAL 273 Ca 0.21 0.45 0.05 0.00 -0.01 0.00 0.00 64.34 65.04 3h2x n VAL 273 Cb 0.39 -4.12 -0.07 0.00 -0.91 0.00 0.00 33.84 29.13 3h2x n VAL 273 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h2x n GLN 274 N 0.26 0.62 -4.37 5.55 6.02 -1.24 -4.92 117.38 119.30 3h2x n GLN 274 Ca -0.06 0.11 -0.20 0.00 -0.01 0.00 0.00 57.00 56.84 3h2x n GLN 274 Cb 0.09 -1.75 -0.10 0.00 1.02 0.00 0.00 30.24 29.50 3h2x n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3h2x s THR 275 N -3.16 1.83 0.23 5.09 -4.23 -1.26 -5.03 115.64 109.11 3h2x s THR 275 Ca -0.03 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.18 3h2x s THR 275 Cb 0.10 -2.13 0.20 0.00 1.34 0.00 0.00 72.50 72.01 3h2x s THR 275 CO 0.82 -0.53 1.85 -0.61 -0.54 0.00 0.00 174.62 175.60 3h2x h GLN 276 N 2.48 1.23 -0.65 3.99 4.15 -1.95 -0.74 115.11 123.62 3h2x h GLN 276 Ca -0.39 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 58.85 3h2x h GLN 276 Cb 1.23 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 3h2x h GLN 276 CO 0.62 0.92 0.32 0.93 -1.93 0.00 0.00 178.83 179.69 3h2x h GLU 277 N 1.23 0.93 -0.59 1.69 3.07 -1.98 0.14 114.58 119.05 3h2x h GLU 277 Ca 0.30 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 3h2x h GLU 277 Cb 0.07 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 3h2x h GLU 277 CO -0.04 0.73 0.08 1.96 -1.40 0.00 0.00 179.01 180.33 3h2x h GLN 278 N 0.89 0.97 -0.26 2.33 4.20 -1.87 -0.05 115.11 121.32 3h2x h GLN 278 Ca 0.22 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3h2x h GLN 278 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3h2x h GLN 278 CO -0.03 0.91 0.12 -0.92 -0.67 0.00 0.00 178.83 178.24 3h2x h TYR 279 N 0.91 0.38 -0.63 2.96 3.20 -0.41 -1.71 116.97 121.66 3h2x h TYR 279 Ca 0.18 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3h2x h TYR 279 Cb 0.42 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3h2x h TYR 279 CO 0.03 0.36 0.36 0.93 -1.64 0.00 0.00 178.16 178.20 3h2x h GLU 280 N 0.28 0.86 -0.14 1.82 5.08 -0.46 -0.98 114.58 121.03 3h2x h GLU 280 Ca 0.09 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h2x h GLU 280 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3h2x h GLU 280 CO -0.01 0.62 0.09 1.25 -1.00 0.00 0.00 179.01 179.96 3h2x h LEU 281 N 0.87 0.16 -0.37 1.33 5.85 -0.41 0.26 115.31 123.01 3h2x h LEU 281 Ca 0.23 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3h2x h LEU 281 Cb -0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3h2x h LEU 281 CO -0.04 0.13 0.24 0.58 -0.34 0.00 0.00 178.44 179.01 3h2x h VAL 282 N 0.18 1.08 -0.08 1.05 2.07 -0.72 0.17 116.25 120.01 3h2x h VAL 282 Ca 0.05 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3h2x h VAL 282 Cb -0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3h2x h VAL 282 CO -0.01 0.09 -0.00 0.22 0.02 0.00 0.00 177.57 177.88 3h2x h TYR 283 N 0.49 -0.01 -0.48 1.57 3.20 -0.82 -0.18 116.97 120.74 3h2x h TYR 283 Ca 0.14 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3h2x h TYR 283 Cb -0.04 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3h2x h TYR 283 CO -0.06 -0.02 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.50 3h2x h ASN 284 N 0.02 0.81 -0.61 -2.11 2.35 -0.22 -2.16 115.58 113.67 3h2x h ASN 284 Ca 0.04 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 3h2x h ASN 284 Cb 0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3h2x h ASN 284 CO -0.07 0.90 0.08 0.00 -1.65 0.00 0.00 177.43 176.69 3h2x h ALA 285 N 1.18 0.81 -0.41 -0.83 0.00 -0.40 -2.09 119.26 117.53 3h2x h ALA 285 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3h2x h ALA 285 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h2x h ALA 285 CO 0.03 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.34 3h2x h VAL 286 N 0.93 1.18 -0.56 0.00 2.07 -0.81 -1.04 116.25 118.02 3h2x h VAL 286 Ca 0.18 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3h2x h VAL 286 Cb 0.46 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3h2x h VAL 286 CO 0.02 0.19 0.34 0.25 0.02 0.00 0.00 177.57 178.39 3h2x h LEU 287 N 0.52 0.56 -0.92 2.57 5.85 -1.23 0.88 115.31 123.53 3h2x h LEU 287 Ca 0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3h2x h LEU 287 Cb 0.13 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3h2x h LEU 287 CO -0.02 0.39 0.49 -0.08 -0.34 0.00 0.00 178.44 178.89 3h2x h GLU 288 N 0.68 1.25 -0.25 1.25 4.57 -1.13 -1.43 114.58 119.53 3h2x h GLU 288 Ca 0.22 -0.15 -0.11 0.00 -1.18 0.00 0.00 59.36 58.15 3h2x h GLU 288 Cb 0.01 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 3h2x h GLU 288 CO -0.09 0.91 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.28 3h2x h LEU 289 N 1.25 0.51 -0.85 1.64 3.38 -0.31 -0.19 115.31 120.74 3h2x h LEU 289 Ca 0.31 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3h2x h LEU 289 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h2x h LEU 289 CO -0.05 0.79 -0.04 -0.26 0.09 0.00 0.00 178.44 178.96 3h2x h PHE 290 N 0.43 0.88 -0.36 1.13 -1.00 -0.26 -0.46 116.94 117.29 3h2x h PHE 290 Ca 0.06 -0.14 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 3h2x h PHE 290 Cb 0.74 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 3h2x h PHE 290 CO 0.03 0.83 -0.20 0.87 -1.61 0.00 0.00 178.31 178.22 3h2x h LYS 291 N 0.75 0.77 -0.43 1.51 1.57 -0.84 -2.25 116.57 117.65 3h2x h LYS 291 Ca 0.14 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3h2x h LYS 291 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3h2x h LYS 291 CO 0.03 0.97 -0.09 0.00 -0.57 0.00 0.00 179.45 179.78 3h2x h ARG 292 N 0.56 0.75 -0.26 3.15 3.08 -0.76 -2.01 114.38 118.89 3h2x h ARG 292 Ca 0.08 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 3h2x h ARG 292 Cb 0.75 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3h2x h ARG 292 CO 0.06 0.82 -0.31 0.37 -1.07 0.00 0.00 179.97 179.84 3h2x h GLN 293 N 0.68 0.53 -0.52 0.04 5.75 -1.02 -1.79 115.11 118.79 3h2x h GLN 293 Ca 0.12 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3h2x h GLN 293 Cb 0.56 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 3h2x h GLN 293 CO 0.03 0.78 0.14 1.98 -2.65 0.00 0.00 178.83 179.12 3h2x h MET 294 N 0.46 0.78 -0.55 1.69 4.05 -1.03 0.92 114.93 121.24 3h2x h MET 294 Ca 0.06 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.24 3h2x h MET 294 Cb 0.77 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3h2x h MET 294 CO 0.06 0.69 -0.02 -0.44 0.23 0.00 0.00 176.91 177.44 3h2x h ASP 295 N 0.76 0.94 -0.23 1.39 3.32 -0.75 -1.68 116.42 120.18 3h2x h ASP 295 Ca 0.17 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3h2x h ASP 295 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3h2x h ASP 295 CO -0.00 1.01 0.06 0.58 -1.72 0.00 0.00 179.24 179.16 3h2x h VAL 296 N 0.89 1.21 -0.18 -1.35 2.07 -0.48 -0.57 116.25 117.84 3h2x h VAL 296 Ca 0.16 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3h2x h VAL 296 Cb 0.54 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3h2x h VAL 296 CO 0.03 0.21 -0.01 0.40 0.02 0.00 0.00 177.57 178.22 3h2x h ILE 297 N 0.18 0.86 -0.68 4.57 2.04 -0.70 -1.69 117.51 122.10 3h2x h ILE 297 Ca 0.07 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 3h2x h ILE 297 Cb 0.27 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3h2x h ILE 297 CO 0.00 0.01 0.19 0.03 0.00 0.00 0.00 178.15 178.38 3h2x h ARG 298 N 0.04 1.08 -0.64 2.37 3.08 -1.24 -2.05 114.38 117.02 3h2x h ARG 298 Ca 0.08 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3h2x h ARG 298 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3h2x h ARG 298 CO -0.15 0.95 0.11 -0.44 -1.07 0.00 0.00 179.97 179.37 3h2x h ASP 299 N 1.01 1.00 1.08 7.04 3.32 -0.82 -3.00 116.42 126.05 3h2x h ASP 299 Ca 0.22 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3h2x h ASP 299 Cb 0.34 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3h2x h ASP 299 CO -0.00 0.99 -0.55 0.11 -1.72 0.00 0.00 179.24 178.06 3h2x h LYS 300 N 0.99 0.00 -6.03 3.56 1.57 -1.22 -3.45 116.57 111.98 3h2x h LYS 300 Ca 0.20 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.26 3h2x h LYS 300 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3h2x h LYS 300 CO 0.01 0.55 1.24 1.58 -0.57 0.00 0.00 179.45 182.26 3h2x n HIS 301 N -3.42 1.63 1.09 -1.35 -0.00 -0.78 -5.11 115.22 107.28 3h2x n HIS 301 Ca 0.00 0.48 0.12 0.00 0.46 0.00 0.00 57.72 58.79 3h2x n HIS 301 Cb 0.67 -2.45 0.18 0.00 -0.12 0.00 0.00 29.99 28.28 3h2x n HIS 301 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23