#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b63 h HIS -1 N 0.00 0.66 -3.41 7.33 -0.00 -2.12 -3.41 115.15 114.20 1b63 h HIS -1 Ca 0.00 -0.03 -0.55 0.00 -0.00 0.00 0.00 60.37 59.79 1b63 h HIS -1 Cb 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.17 1b63 h HIS -1 CO 0.00 0.53 0.11 -1.64 -0.00 0.00 0.00 177.93 176.93 1b63 s MET 1 N -5.71 4.45 0.54 5.26 1.00 -1.26 -5.05 119.30 118.53 1b63 s MET 1 Ca -0.13 0.99 -0.18 0.00 0.00 0.00 0.00 55.69 56.38 1b63 s MET 1 Cb 0.11 -3.32 -0.06 0.00 0.00 0.00 0.00 34.83 31.56 1b63 s MET 1 CO 0.76 0.42 1.05 -1.25 0.00 0.00 0.00 175.02 175.99 1b63 s PRO 2 N -0.50 3.55 -0.02 2.03 0.04 -1.26 -4.97 135.00 133.88 1b63 s PRO 2 Ca 0.35 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1b63 s PRO 2 Cb -0.21 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1b63 s PRO 2 CO 0.22 -0.63 1.39 0.42 0.04 0.00 0.00 177.00 178.44 1b63 s ILE 3 N -2.25 3.78 -0.03 0.56 1.01 -1.26 -4.98 121.20 118.03 1b63 s ILE 3 Ca 0.65 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 62.41 1b63 s ILE 3 Cb -0.16 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1b63 s ILE 3 CO 0.29 -0.01 0.08 -1.58 0.00 0.00 0.00 174.94 173.73 1b63 s GLN 4 N 2.50 0.10 0.42 2.79 0.74 -1.26 -5.13 119.66 119.83 1b63 s GLN 4 Ca 0.63 0.11 -0.26 0.00 0.05 0.00 0.00 55.36 55.89 1b63 s GLN 4 Cb -0.30 0.05 -0.10 0.00 1.10 0.00 0.00 33.01 33.76 1b63 s GLN 4 CO 0.26 -0.01 1.40 0.28 -0.55 0.00 0.00 175.29 176.67 1b63 n VAL 5 N 3.03 2.51 -2.75 1.34 0.31 -1.26 -4.95 118.33 116.57 1b63 n VAL 5 Ca -0.12 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.32 1b63 n VAL 5 Cb 0.59 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.66 1b63 n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b63 s LEU 6 N -2.22 4.47 0.51 7.52 1.43 -1.26 -5.00 118.68 124.13 1b63 s LEU 6 Ca 0.59 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 55.37 1b63 s LEU 6 Cb -0.48 -3.84 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 1b63 s LEU 6 CO 0.59 0.01 1.25 -2.65 0.23 0.00 0.00 176.35 175.78 1b63 n PRO 7 N 0.94 1.62 -0.10 1.29 -0.02 -1.26 -4.71 135.00 132.77 1b63 n PRO 7 Ca 0.00 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1b63 n PRO 7 Cb 0.49 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 1b63 n PRO 7 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1b63 h PRO 8 N 1.49 -0.40 -0.51 0.52 0.11 -1.89 -0.87 132.00 130.45 1b63 h PRO 8 Ca -0.49 0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1b63 h PRO 8 Cb 1.31 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.44 1b63 h PRO 8 CO 0.57 -0.27 0.12 0.37 -0.21 0.00 0.00 178.00 178.58 1b63 h GLN 9 N -0.42 0.25 -0.67 1.05 4.15 -1.21 -0.65 115.11 117.61 1b63 h GLN 9 Ca 0.09 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1b63 h GLN 9 Cb 0.61 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1b63 h GLN 9 CO -0.54 0.17 0.24 1.25 -1.93 0.00 0.00 178.83 178.01 1b63 h LEU 10 N 0.26 0.95 -0.70 -2.39 5.85 -1.74 -0.09 115.31 117.44 1b63 h LEU 10 Ca 0.26 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1b63 h LEU 10 Cb 0.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1b63 h LEU 10 CO -0.32 0.88 0.45 0.00 -0.34 0.00 0.00 178.44 179.11 1b63 h ALA 11 N 1.10 0.91 -0.16 1.25 0.00 -0.40 -1.14 119.26 120.82 1b63 h ALA 11 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1b63 h ALA 11 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b63 h ALA 11 CO -0.01 0.25 -0.21 -0.91 0.00 0.00 0.00 179.25 178.36 1b63 h ASN 12 N 0.89 0.28 0.19 0.00 2.35 -0.64 -2.51 115.58 116.14 1b63 h ASN 12 Ca 0.28 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 1b63 h ASN 12 Cb -0.02 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1b63 h ASN 12 CO -0.09 0.50 -0.53 1.56 -1.65 0.00 0.00 177.43 177.22 1b63 h GLN 13 N 0.26 0.37 -0.56 0.81 4.20 -0.09 0.18 115.11 120.28 1b63 h GLN 13 Ca 0.05 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1b63 h GLN 13 Cb 0.52 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1b63 h GLN 13 CO 0.04 0.81 -0.03 0.82 -0.67 0.00 0.00 178.83 179.79 1b63 h ILE 14 N 0.29 1.26 -0.42 2.54 2.04 -0.98 -1.68 117.51 120.56 1b63 h ILE 14 Ca 0.01 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 1b63 h ILE 14 Cb 1.02 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1b63 h ILE 14 CO 0.09 0.41 -0.26 0.00 0.00 0.00 0.00 178.15 178.39 1b63 h ALA 15 N 1.05 0.59 -0.20 1.87 0.00 -1.11 -3.01 119.26 118.45 1b63 h ALA 15 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1b63 h ALA 15 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1b63 h ALA 15 CO 0.03 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1b63 h ALA 16 N 0.81 1.63 0.00 0.00 0.00 -0.41 -1.78 119.26 119.51 1b63 h ALA 16 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1b63 h ALA 16 Cb 0.84 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1b63 h ALA 16 CO 0.07 0.28 -0.10 0.78 0.00 0.00 0.00 179.25 180.28 1b63 h GLY 17 N 0.57 0.00 0.70 0.00 0.00 -1.16 0.26 103.07 103.43 1b63 h GLY 17 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1b63 h GLY 17 CO 0.00 0.00 -1.18 1.18 0.00 0.00 0.00 176.54 176.54 1b63 n GLU 18 N -3.44 0.51 -0.02 4.80 1.02 -0.69 -4.47 120.64 118.36 1b63 n GLU 18 Ca -0.01 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1b63 n GLU 18 Cb 0.25 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 1b63 n GLU 18 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1b63 n VAL 19 N -2.36 0.22 -3.75 2.62 3.14 -1.09 -4.51 118.33 112.60 1b63 n VAL 19 Ca -0.00 -0.17 -0.36 0.00 -2.96 0.00 0.00 64.34 60.85 1b63 n VAL 19 Cb 0.52 -0.54 -0.11 0.00 -1.06 0.00 0.00 33.84 32.65 1b63 n VAL 19 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1b63 s VAL 20 N -2.17 3.46 -0.10 1.55 1.01 0.88 -4.86 120.40 120.17 1b63 s VAL 20 Ca -0.02 -2.45 0.16 0.00 0.00 0.00 0.00 61.98 59.66 1b63 s VAL 20 Cb 0.02 -3.32 -0.20 0.00 0.00 0.00 0.00 36.38 32.88 1b63 s VAL 20 CO 0.19 -0.77 0.62 -1.84 0.00 0.00 0.00 175.10 173.30 1b63 n GLU 21 N 4.11 0.64 -3.83 2.72 0.28 -1.26 -4.54 120.64 118.76 1b63 n GLU 21 Ca 0.02 0.19 -0.07 0.00 -0.16 0.00 0.00 57.16 57.14 1b63 n GLU 21 Cb 0.40 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1b63 n GLU 21 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1b63 s ARG 22 N -2.76 1.85 0.28 3.44 1.70 -1.26 -4.99 118.95 117.21 1b63 s ARG 22 Ca -0.05 -1.12 0.01 0.00 -0.47 0.00 0.00 55.73 54.10 1b63 s ARG 22 Cb 0.08 0.57 0.65 0.00 -0.57 0.00 0.00 34.95 35.68 1b63 s ARG 22 CO 0.82 -0.86 1.66 -1.35 -1.08 0.00 0.00 175.30 174.50 1b63 h PRO 23 N 2.00 0.25 -0.59 3.89 0.11 -1.90 0.20 132.00 135.96 1b63 h PRO 23 Ca -0.26 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.00 1b63 h PRO 23 Cb 1.24 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1b63 h PRO 23 CO 0.32 0.16 0.42 0.00 -0.21 0.00 0.00 178.00 178.69 1b63 h ALA 24 N 1.73 2.47 -0.33 -0.75 0.00 -1.88 0.04 119.26 120.54 1b63 h ALA 24 Ca 0.52 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 1b63 h ALA 24 Cb 1.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1b63 h ALA 24 CO -0.60 -0.63 -0.20 0.77 0.00 0.00 0.00 179.25 178.58 1b63 h SER 25 N 0.06 0.75 -0.77 0.00 0.02 -0.95 -0.63 113.55 112.04 1b63 h SER 25 Ca 0.28 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1b63 h SER 25 Cb 1.04 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1b63 h SER 25 CO -0.02 1.01 0.39 0.58 -1.14 0.00 0.00 176.83 177.65 1b63 h VAL 26 N 0.49 1.24 -0.48 2.27 2.07 -0.92 -1.60 116.25 119.32 1b63 h VAL 26 Ca 0.07 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1b63 h VAL 26 Cb 0.75 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1b63 h VAL 26 CO 0.06 0.28 0.22 0.58 0.02 0.00 0.00 177.57 178.72 1b63 h VAL 27 N 1.08 1.20 0.17 2.57 2.07 -1.10 -1.57 116.25 120.66 1b63 h VAL 27 Ca 0.27 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1b63 h VAL 27 Cb 0.09 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1b63 h VAL 27 CO -0.04 0.22 -0.29 0.50 0.02 0.00 0.00 177.57 177.99 1b63 h LYS 28 N 0.63 -0.51 -0.73 1.57 3.11 -0.65 -0.65 116.57 119.34 1b63 h LYS 28 Ca 0.16 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1b63 h LYS 28 Cb 0.15 0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 1b63 h LYS 28 CO -0.02 -0.34 0.48 0.93 -2.81 0.00 0.00 179.45 177.69 1b63 h GLU 29 N -0.53 0.97 -0.30 1.90 4.39 -1.19 -1.58 114.58 118.24 1b63 h GLU 29 Ca 0.02 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1b63 h GLU 29 Cb 0.54 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1b63 h GLU 29 CO -0.13 0.64 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.88 1b63 h LEU 30 N 0.99 0.88 -0.65 1.33 3.38 -1.13 -2.48 115.31 117.63 1b63 h LEU 30 Ca 0.27 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1b63 h LEU 30 Cb -0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1b63 h LEU 30 CO -0.06 1.21 0.01 0.58 0.09 0.00 0.00 178.44 180.26 1b63 h VAL 31 N 0.58 1.26 -0.08 1.22 2.07 -1.04 -1.72 116.25 118.55 1b63 h VAL 31 Ca 0.03 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1b63 h VAL 31 Cb 1.00 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1b63 h VAL 31 CO 0.10 0.41 -0.12 -0.33 0.02 0.00 0.00 177.57 177.65 1b63 h GLU 32 N 0.96 0.11 -0.54 1.57 5.08 -1.25 0.15 114.58 120.67 1b63 h GLU 32 Ca 0.17 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1b63 h GLU 32 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1b63 h GLU 32 CO 0.03 0.25 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.31 1b63 h ASN 33 N 0.11 0.98 -0.76 1.42 2.35 -0.89 -0.29 115.58 118.50 1b63 h ASN 33 Ca 0.02 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.39 1b63 h ASN 33 Cb 0.29 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1b63 h ASN 33 CO 0.02 1.09 0.29 0.28 -1.65 0.00 0.00 177.43 177.46 1b63 h SER 34 N 0.86 1.06 -0.30 5.81 0.02 -0.39 -0.96 113.55 119.65 1b63 h SER 34 Ca 0.14 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1b63 h SER 34 Cb 0.62 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1b63 h SER 34 CO 0.04 0.94 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.60 1b63 h LEU 35 N 1.11 0.53 -2.15 5.07 3.38 -0.80 -1.78 115.31 120.68 1b63 h LEU 35 Ca 0.25 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1b63 h LEU 35 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1b63 h LEU 35 CO -0.02 0.71 -0.05 0.44 0.09 0.00 0.00 178.44 179.61 1b63 h ASP 36 N 0.33 0.00 -0.01 -0.43 3.32 -0.66 -1.64 116.42 117.32 1b63 h ASP 36 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1b63 h ASP 36 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1b63 h ASP 36 CO 0.02 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1b63 n ALA 37 N -2.39 2.63 -0.81 3.45 0.00 -0.40 -4.88 120.51 118.12 1b63 n ALA 37 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1b63 n ALA 37 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1b63 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b63 n GLY 38 N 0.91 0.53 3.77 0.00 0.00 -0.62 -1.02 105.19 108.77 1b63 n GLY 38 Ca 0.18 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1b63 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b63 s ALA 39 N -2.00 3.37 -0.05 4.61 0.00 -0.71 -4.72 121.76 122.26 1b63 s ALA 39 Ca 0.00 1.51 0.10 0.00 0.00 0.00 0.00 51.96 53.57 1b63 s ALA 39 Cb 0.00 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 1b63 s ALA 39 CO 0.00 -1.15 0.14 2.41 0.00 0.00 0.00 175.76 177.16 1b63 n THR 40 N 0.05 0.32 -4.21 0.00 -1.04 -1.26 -4.81 114.28 103.32 1b63 n THR 40 Ca 0.03 -0.33 -0.20 0.00 -2.04 0.00 0.00 64.05 61.52 1b63 n THR 40 Cb 0.41 -0.21 -0.16 0.00 -1.82 0.00 0.00 70.33 68.55 1b63 n THR 40 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1b63 s ARG 41 N -2.50 0.85 -0.10 -2.82 3.52 -1.26 -0.36 118.95 116.28 1b63 s ARG 41 Ca -0.04 -0.15 -0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1b63 s ARG 41 Cb 0.05 -0.83 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1b63 s ARG 41 CO 0.42 -0.04 -0.06 0.42 -0.81 0.00 0.00 175.30 175.23 1b63 s ILE 42 N 0.74 0.90 -0.22 4.11 1.01 0.01 -2.58 121.20 125.17 1b63 s ILE 42 Ca -0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1b63 s ILE 42 Cb -0.13 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1b63 s ILE 42 CO 0.00 0.34 0.01 -1.81 0.00 0.00 0.00 174.94 173.49 1b63 s ASP 43 N 1.64 4.77 -0.17 3.58 1.01 0.27 -1.13 116.67 126.65 1b63 s ASP 43 Ca 0.03 -0.25 -0.00 0.00 0.71 0.00 0.00 52.55 53.03 1b63 s ASP 43 Cb -0.13 -1.83 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 1b63 s ASP 43 CO -0.06 0.01 -0.13 -0.63 0.21 0.00 0.00 175.17 174.56 1b63 s ILE 44 N 1.31 2.77 -0.15 0.77 1.01 0.86 -0.92 121.20 126.85 1b63 s ILE 44 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1b63 s ILE 44 Cb -0.15 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1b63 s ILE 44 CO 0.01 0.50 -0.15 -1.81 0.00 0.00 0.00 174.94 173.49 1b63 s ASP 45 N 0.95 3.68 -0.00 3.58 1.01 0.14 -0.98 116.67 125.04 1b63 s ASP 45 Ca -0.02 -0.45 0.08 0.00 0.71 0.00 0.00 52.55 52.86 1b63 s ASP 45 Cb -0.15 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 1b63 s ASP 45 CO -0.02 0.10 -0.24 -0.63 0.21 0.00 0.00 175.17 174.60 1b63 s ILE 46 N 0.71 1.88 -0.04 0.77 -1.09 -0.24 -0.22 121.20 122.99 1b63 s ILE 46 Ca -0.07 -1.08 0.05 0.00 -2.23 0.00 0.00 60.65 57.31 1b63 s ILE 46 Cb -0.16 -1.58 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 1b63 s ILE 46 CO 0.01 0.47 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.41 1b63 s GLU 47 N -0.72 1.74 -1.27 2.79 2.02 -0.30 0.27 118.70 123.23 1b63 s GLU 47 Ca 0.09 -0.63 -0.19 0.00 0.02 0.00 0.00 54.97 54.26 1b63 s GLU 47 Cb -0.09 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.60 1b63 s GLU 47 CO -0.00 0.29 0.58 0.54 0.02 0.00 0.00 175.26 176.68 1b63 n ARG 48 N 3.01 -1.28 -0.66 1.61 1.74 -1.26 -0.60 116.66 119.22 1b63 n ARG 48 Ca -0.17 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1b63 n ARG 48 Cb 0.53 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.38 1b63 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b63 n GLY 49 N -2.00 0.18 0.00 -0.13 0.00 -1.26 -2.39 105.19 99.59 1b63 n GLY 49 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1b63 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b63 n GLY 50 N -1.66 0.85 0.18 -0.02 0.00 0.23 -3.99 105.19 100.78 1b63 n GLY 50 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1b63 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b63 h ALA 51 N 0.00 1.00 0.00 4.61 0.00 -1.56 -3.33 119.26 119.98 1b63 h ALA 51 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1b63 h ALA 51 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1b63 h ALA 51 CO 0.00 0.00 -2.08 1.17 0.00 0.00 0.00 179.25 178.34 1b63 n LYS 52 N -2.73 0.57 -3.66 0.00 0.00 -1.20 -3.02 118.16 108.12 1b63 n LYS 52 Ca 0.04 0.27 -0.14 0.00 0.00 0.00 0.00 58.31 58.47 1b63 n LYS 52 Cb 0.42 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.87 1b63 n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1b63 s LEU 53 N -7.64 -0.14 -0.12 3.14 0.20 -1.21 -2.32 118.68 110.60 1b63 s LEU 53 Ca -0.36 0.96 -0.02 0.00 0.69 0.00 0.00 54.13 55.40 1b63 s LEU 53 Cb 0.12 1.97 0.04 0.00 -0.43 0.00 0.00 46.19 47.89 1b63 s LEU 53 CO 0.48 -0.29 0.01 -0.63 -0.29 0.00 0.00 176.35 175.62 1b63 s ILE 54 N -0.13 0.44 -0.11 6.68 1.01 -0.22 -1.15 121.20 127.72 1b63 s ILE 54 Ca -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1b63 s ILE 54 Cb -0.03 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1b63 s ILE 54 CO 0.03 0.09 -0.18 -0.60 0.00 0.00 0.00 174.94 174.28 1b63 s ARG 55 N 1.93 2.44 -0.11 2.79 3.52 0.70 -0.55 118.95 129.67 1b63 s ARG 55 Ca 0.03 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1b63 s ARG 55 Cb -0.14 -1.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 1b63 s ARG 55 CO -0.06 0.01 -0.07 0.42 -0.81 0.00 0.00 175.30 174.78 1b63 s ILE 56 N 0.78 0.99 0.06 4.11 1.01 -0.14 0.23 121.20 128.24 1b63 s ILE 56 Ca -0.10 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.37 1b63 s ILE 56 Cb -0.16 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1b63 s ILE 56 CO 0.01 0.36 -0.25 -0.60 0.00 0.00 0.00 174.94 174.46 1b63 s ARG 57 N 1.69 1.78 0.13 2.79 3.52 -0.10 -0.37 118.95 128.39 1b63 s ARG 57 Ca 0.04 -1.13 -0.02 0.00 -0.13 0.00 0.00 55.73 54.50 1b63 s ARG 57 Cb -0.13 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 1b63 s ARG 57 CO -0.08 0.51 0.07 0.16 -0.81 0.00 0.00 175.30 175.15 1b63 s ASP 58 N -1.39 0.29 -0.49 -2.12 1.47 0.24 -0.56 116.67 114.11 1b63 s ASP 58 Ca 0.13 -1.16 0.03 0.00 1.18 0.00 0.00 52.55 52.73 1b63 s ASP 58 Cb -0.10 0.30 0.51 0.00 -0.34 0.00 0.00 42.92 43.29 1b63 s ASP 58 CO 0.03 -0.74 1.75 -0.46 0.68 0.00 0.00 175.17 176.44 1b63 n ASN 59 N -0.09 5.47 -2.59 2.11 6.94 -1.06 -2.32 115.26 123.71 1b63 n ASN 59 Ca -0.06 -3.75 -0.06 0.00 -0.02 0.00 0.00 54.58 50.69 1b63 n ASN 59 Cb 0.63 -0.77 0.04 0.00 -2.36 0.00 0.00 39.78 37.33 1b63 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b63 n GLY 60 N -0.96 -2.09 0.24 4.83 0.00 -1.26 -4.52 105.19 101.43 1b63 n GLY 60 Ca 0.54 -1.53 0.16 0.00 0.00 0.00 0.00 46.02 45.19 1b63 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b63 n GLY 62 N 0.07 -0.77 3.09 0.00 0.00 -1.26 -4.35 105.19 101.97 1b63 n GLY 62 Ca 0.01 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 1b63 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b63 s ILE 63 N -1.13 1.51 0.32 -0.61 1.01 -1.26 -4.91 121.20 116.13 1b63 s ILE 63 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1b63 s ILE 63 Cb 0.00 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 41.02 1b63 s ILE 63 CO 0.00 0.44 1.45 -0.75 0.00 0.00 0.00 174.94 176.08 1b63 s LYS 64 N 0.62 4.21 0.26 2.79 2.20 -1.26 -4.39 119.74 124.17 1b63 s LYS 64 Ca -0.15 2.43 -0.05 0.00 -0.36 0.00 0.00 55.97 57.84 1b63 s LYS 64 Cb -0.16 -3.03 0.51 0.00 -1.51 0.00 0.00 37.83 33.63 1b63 s LYS 64 CO 0.04 -0.44 1.62 -0.22 -0.36 0.00 0.00 175.35 175.99 1b63 h LYS 65 N 3.83 0.08 0.00 4.03 3.64 -1.95 0.31 116.57 126.51 1b63 h LYS 65 Ca -0.49 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1b63 h LYS 65 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1b63 h LYS 65 CO 0.70 0.05 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 1b63 n ASP 66 N -5.39 0.00 -0.14 4.20 5.75 -1.26 -2.49 116.55 117.22 1b63 n ASP 66 Ca 0.16 -0.80 0.02 0.00 -0.01 0.00 0.00 54.79 54.16 1b63 n ASP 66 Cb 0.54 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 1b63 n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1b63 n GLU 67 N -0.91 -0.46 -0.15 0.11 1.02 0.11 -4.73 120.64 115.64 1b63 n GLU 67 Ca 0.13 -0.70 -0.05 0.00 -0.02 0.00 0.00 57.16 56.52 1b63 n GLU 67 Cb 0.06 -1.06 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1b63 n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b63 h LEU 68 N 0.69 0.28 -0.52 -4.62 3.38 -1.21 -1.31 115.31 112.00 1b63 h LEU 68 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1b63 h LEU 68 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1b63 h LEU 68 CO 0.00 0.20 0.09 0.00 0.09 0.00 0.00 178.44 178.82 1b63 h ALA 69 N 1.26 0.69 -0.68 1.53 0.00 -1.85 -2.70 119.26 117.52 1b63 h ALA 69 Ca 0.21 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1b63 h ALA 69 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1b63 h ALA 69 CO -0.17 0.42 0.45 -0.07 0.00 0.00 0.00 179.25 179.88 1b63 h LEU 70 N 0.74 0.67 -2.09 0.00 3.38 -1.76 -0.31 115.31 115.95 1b63 h LEU 70 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1b63 h LEU 70 Cb 0.39 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1b63 h LEU 70 CO 0.01 0.46 -0.08 0.00 0.09 0.00 0.00 178.44 178.92 1b63 h ALA 71 N 1.61 1.28 -0.01 1.53 0.00 -0.91 -1.74 119.26 121.02 1b63 h ALA 71 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1b63 h ALA 71 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1b63 h ALA 71 CO -0.08 0.10 -0.45 1.28 0.00 0.00 0.00 179.25 180.10 1b63 n LEU 72 N -3.59 1.65 -4.89 0.00 4.77 -0.19 -4.42 117.00 110.32 1b63 n LEU 72 Ca -0.02 -0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 1b63 n LEU 72 Cb 0.20 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1b63 n LEU 72 CO 0.28 0.31 0.71 0.00 -1.33 0.00 0.00 177.39 177.37 1b63 s ALA 73 N -2.53 2.98 0.47 -1.18 0.00 -0.66 -4.11 121.76 116.74 1b63 s ALA 73 Ca 0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1b63 s ALA 73 Cb 0.18 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1b63 s ALA 73 CO 0.58 -1.03 0.90 1.03 0.00 0.00 0.00 175.76 177.24 1b63 s ARG 74 N -5.28 3.90 -1.27 0.00 0.52 -1.26 -4.15 118.95 111.41 1b63 s ARG 74 Ca 0.57 0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 56.44 1b63 s ARG 74 Cb -0.11 -2.24 0.11 0.00 0.52 0.00 0.00 34.95 33.23 1b63 s ARG 74 CO 0.51 -0.17 0.47 0.72 0.02 0.00 0.00 175.30 176.85 1b63 n HIS 75 N -1.41 -1.68 -4.65 -0.53 8.25 -0.93 -4.93 115.22 109.34 1b63 n HIS 75 Ca 0.05 0.48 -0.30 0.00 -0.26 0.00 0.00 57.72 57.69 1b63 n HIS 75 Cb 0.54 -2.42 -0.17 0.00 1.12 0.00 0.00 29.99 29.06 1b63 n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b63 s ALA 76 N -2.90 1.87 0.11 -1.41 0.00 -0.86 -4.88 121.76 113.69 1b63 s ALA 76 Ca 0.47 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1b63 s ALA 76 Cb -0.26 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.02 1b63 s ALA 76 CO 0.58 0.01 0.26 -0.08 0.00 0.00 0.00 175.76 176.53 1b63 s THR 77 N 0.81 0.12 -1.49 0.00 -1.32 -1.26 -4.24 115.64 108.26 1b63 s THR 77 Ca -0.09 -1.04 0.12 0.00 -1.21 0.00 0.00 61.69 59.47 1b63 s THR 77 Cb -0.16 -1.34 0.10 0.00 -1.51 0.00 0.00 72.50 69.59 1b63 s THR 77 CO 0.01 -0.53 0.88 -1.54 -2.21 0.00 0.00 174.62 171.23 1b63 n SER 78 N -0.12 2.00 0.09 8.08 3.41 -1.26 -4.60 113.62 121.23 1b63 n SER 78 Ca -0.15 -1.50 0.06 0.00 -0.26 0.00 0.00 58.87 57.02 1b63 n SER 78 Cb 0.63 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1b63 n SER 78 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1b63 h LYS 79 N 2.35 0.00 -3.74 4.33 1.57 -1.93 -3.47 116.57 115.67 1b63 h LYS 79 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1b63 h LYS 79 Cb 0.50 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 1b63 h LYS 79 CO 0.00 0.19 -0.29 0.96 -0.57 0.00 0.00 179.45 179.74 1b63 s ILE 80 N -3.11 0.11 0.00 1.86 -4.36 -1.26 -4.95 121.20 109.48 1b63 s ILE 80 Ca -0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1b63 s ILE 80 Cb 0.08 -1.46 0.00 0.00 1.25 0.00 0.00 42.46 42.33 1b63 s ILE 80 CO 0.78 -0.48 0.00 0.00 0.24 0.00 0.00 174.94 175.49 1b63 n ALA 81 N -0.14 0.02 -3.01 2.27 0.00 -1.26 -4.82 120.51 113.57 1b63 n ALA 81 Ca -0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1b63 n ALA 81 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 1b63 n ALA 81 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b63 s SER 82 N 0.00 -0.05 0.20 0.00 1.04 -1.26 -5.01 113.70 108.61 1b63 s SER 82 Ca 0.00 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.39 1b63 s SER 82 Cb 0.00 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.79 1b63 s SER 82 CO 0.00 -1.07 1.66 0.25 0.98 0.00 0.00 173.24 175.06 1b63 h LEU 83 N 2.33 0.98 -0.73 2.42 5.85 -2.00 -1.79 115.31 122.37 1b63 h LEU 83 Ca -0.28 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.23 1b63 h LEU 83 Cb 1.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1b63 h LEU 83 CO 0.39 1.05 0.41 0.44 -0.34 0.00 0.00 178.44 180.39 1b63 h ASP 84 N 0.91 0.60 -0.79 1.25 5.19 -1.98 0.87 116.42 122.46 1b63 h ASP 84 Ca 0.16 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1b63 h ASP 84 Cb 0.57 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1b63 h ASP 84 CO 0.03 0.37 0.45 0.44 -3.12 0.00 0.00 179.24 177.41 1b63 h ASP 85 N 0.73 0.97 -0.71 6.45 3.32 -1.79 -2.55 116.42 122.83 1b63 h ASP 85 Ca 0.34 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1b63 h ASP 85 Cb 0.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1b63 h ASP 85 CO -0.21 0.77 0.18 0.25 -1.72 0.00 0.00 179.24 178.51 1b63 h LEU 86 N 1.09 1.08 0.00 1.55 5.85 -0.27 -2.68 115.31 121.93 1b63 h LEU 86 Ca 0.28 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1b63 h LEU 86 Cb -0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 1b63 h LEU 86 CO -0.05 1.02 0.00 -0.62 -0.34 0.00 0.00 178.44 178.46 1b63 n GLU 87 N -4.23 0.19 -2.56 1.25 1.02 0.14 -3.32 120.64 113.12 1b63 n GLU 87 Ca 0.05 0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1b63 n GLU 87 Cb 0.26 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1b63 n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b63 n ALA 88 N -1.38 4.04 -1.64 0.62 0.00 -0.99 -3.84 120.51 117.33 1b63 n ALA 88 Ca 0.09 -3.56 -0.52 0.00 0.00 0.00 0.00 53.44 49.44 1b63 n ALA 88 Cb 0.22 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 1b63 n ALA 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1b63 n ILE 89 N -0.33 0.12 -1.93 0.00 2.08 -1.12 -4.88 119.36 113.29 1b63 n ILE 89 Ca 0.22 -0.02 0.05 0.00 0.56 0.00 0.00 62.75 63.56 1b63 n ILE 89 Cb 0.78 -1.12 0.10 0.00 -0.75 0.00 0.00 39.64 38.64 1b63 n ILE 89 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1b63 n ILE 90 N 3.37 1.00 -3.75 1.39 5.41 -1.26 -4.85 119.36 120.67 1b63 n ILE 90 Ca 0.20 -1.78 -0.11 0.00 1.00 0.00 0.00 62.75 62.07 1b63 n ILE 90 Cb 0.20 0.34 -0.07 0.00 -0.71 0.00 0.00 39.64 39.41 1b63 n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1b63 s SER 91 N -2.39 -0.09 0.13 4.38 1.04 -1.26 -5.07 113.70 110.44 1b63 s SER 91 Ca 0.30 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 1b63 s SER 91 Cb 0.31 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 1b63 s SER 91 CO -0.08 -0.70 1.57 -0.07 0.98 0.00 0.00 173.24 174.94 1b63 h LEU 92 N 2.88 0.69-10.12 2.42 3.38 -1.97 -3.44 115.31 109.16 1b63 h LEU 92 Ca -0.33 -0.30 -0.49 0.00 0.09 0.00 0.00 57.88 56.85 1b63 h LEU 92 Cb 1.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1b63 h LEU 92 CO 0.49 0.83 -0.45 -0.83 0.09 0.00 0.00 178.44 178.57 1b63 s GLY 93 N -3.31 1.38 0.00 0.83 0.00 -1.26 -4.97 107.32 100.00 1b63 s GLY 93 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1b63 s GLY 93 CO 0.79 -1.19 0.00 1.97 0.00 0.00 0.00 173.10 174.67 1b63 n PHE 94 N -1.11 0.00 0.14 1.90 1.16 -1.26 -4.82 117.46 113.47 1b63 n PHE 94 Ca -0.08 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.58 1b63 n PHE 94 Cb 0.56 0.01 0.05 0.00 -1.61 0.00 0.00 39.48 38.49 1b63 n PHE 94 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1b63 h ARG 95 N 0.00 0.00 -1.94 3.97 3.08 -1.95 -3.45 114.38 114.09 1b63 h ARG 95 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1b63 h ARG 95 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1b63 h ARG 95 CO 0.00 0.14 -0.38 0.41 -1.07 0.00 0.00 179.97 179.07 1b63 n GLY 96 N 1.19 0.04 0.01 0.04 0.00 -1.26 -4.28 105.19 100.93 1b63 n GLY 96 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 1b63 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b63 n GLU 97 N -2.49 3.53 -0.19 1.61 -0.58 -1.26 -2.04 120.64 119.22 1b63 n GLU 97 Ca -0.18 -0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.52 1b63 n GLU 97 Cb 0.62 -1.03 0.02 0.00 -0.57 0.00 0.00 31.44 30.47 1b63 n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b63 h ALA 98 N 0.06 0.03 -0.45 0.62 0.00 -1.94 0.18 119.26 117.75 1b63 h ALA 98 Ca -0.03 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1b63 h ALA 98 Cb 0.99 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1b63 h ALA 98 CO 0.00 -0.63 0.14 -0.07 0.00 0.00 0.00 179.25 178.69 1b63 h LEU 99 N -0.15 0.66 -0.36 0.00 3.38 -1.90 -0.98 115.31 115.96 1b63 h LEU 99 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1b63 h LEU 99 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1b63 h LEU 99 CO -0.65 0.69 0.19 0.00 0.09 0.00 0.00 178.44 178.75 1b63 h ALA 100 N 0.99 0.46 -0.17 1.53 0.00 -1.61 0.01 119.26 120.47 1b63 h ALA 100 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1b63 h ALA 100 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1b63 h ALA 100 CO -0.00 0.01 -0.05 0.77 0.00 0.00 0.00 179.25 179.98 1b63 h SER 101 N 0.45 -0.17 -0.52 0.00 0.02 -0.77 -2.73 113.55 109.84 1b63 h SER 101 Ca 0.13 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1b63 h SER 101 Cb 0.09 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1b63 h SER 101 CO -0.02 -0.06 -0.01 0.40 -1.14 0.00 0.00 176.83 176.00 1b63 h ILE 102 N -0.00 1.26 0.00 3.27 2.04 -1.00 -2.64 117.51 120.43 1b63 h ILE 102 Ca 0.08 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1b63 h ILE 102 Cb 0.13 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1b63 h ILE 102 CO -0.18 0.40 -0.03 0.77 0.00 0.00 0.00 178.15 179.11 1b63 h SER 103 N 0.88 0.00 1.27 1.72 4.64 -0.80 -2.26 113.55 119.01 1b63 h SER 103 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1b63 h SER 103 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1b63 h SER 103 CO 0.03 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 1b63 n SER 104 N -3.20 0.70 -0.60 4.97 3.41 -1.00 -3.50 113.62 114.40 1b63 n SER 104 Ca -0.01 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 1b63 n SER 104 Cb 0.22 -0.76 0.14 0.00 -0.26 0.00 0.00 64.21 63.54 1b63 n SER 104 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1b63 n VAL 105 N -2.17 1.54 -3.80 -3.33 0.24 -0.86 -4.83 118.33 105.11 1b63 n VAL 105 Ca 0.05 -2.30 -0.02 0.00 -2.04 0.00 0.00 64.34 60.03 1b63 n VAL 105 Cb 0.38 0.04 0.02 0.00 -1.47 0.00 0.00 33.84 32.80 1b63 n VAL 105 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1b63 n SER 106 N -0.83 -1.33 -4.23 -1.34 3.41 -1.13 0.25 113.62 108.42 1b63 n SER 106 Ca 0.14 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.64 1b63 n SER 106 Cb 0.76 2.16 -0.06 0.00 -0.26 0.00 0.00 64.21 66.81 1b63 n SER 106 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1b63 s ARG 107 N -2.04 2.99 -0.18 4.33 1.81 -0.45 -4.77 118.95 120.64 1b63 s ARG 107 Ca 0.18 -2.27 -0.09 0.00 -1.72 0.00 0.00 55.73 51.83 1b63 s ARG 107 Cb -0.02 -4.10 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 1b63 s ARG 107 CO 0.04 -1.24 0.13 -1.17 -0.68 0.00 0.00 175.30 172.39 1b63 s LEU 108 N 0.48 4.25 -0.07 2.53 0.20 -1.26 -1.22 118.68 123.60 1b63 s LEU 108 Ca 0.14 0.30 0.04 0.00 0.69 0.00 0.00 54.13 55.29 1b63 s LEU 108 Cb -0.18 -2.08 -0.00 0.00 -0.43 0.00 0.00 46.19 43.49 1b63 s LEU 108 CO -0.04 0.25 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.17 1b63 s THR 109 N -0.04 1.70 -0.22 3.68 2.01 0.99 -4.48 115.64 119.28 1b63 s THR 109 Ca 0.10 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1b63 s THR 109 Cb -0.11 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.94 1b63 s THR 109 CO -0.00 0.48 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.10 1b63 s LEU 110 N 0.19 2.79 -0.08 4.42 2.96 0.10 -1.35 118.68 127.71 1b63 s LEU 110 Ca -0.10 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 1b63 s LEU 110 Cb -0.15 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1b63 s LEU 110 CO 0.05 -0.05 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.91 1b63 s THR 111 N 1.39 1.96 0.07 3.68 2.01 -0.67 0.18 115.64 124.25 1b63 s THR 111 Ca 0.04 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1b63 s THR 111 Cb -0.15 -1.69 0.08 0.00 0.01 0.00 0.00 72.50 70.76 1b63 s THR 111 CO -0.06 0.54 0.68 -0.55 -0.69 0.00 0.00 174.62 174.54 1b63 s SER 112 N 0.21 -0.56 -0.14 3.53 0.15 -0.34 -0.72 113.70 115.84 1b63 s SER 112 Ca -0.14 0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 1b63 s SER 112 Cb -0.16 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1b63 s SER 112 CO 0.07 -0.80 0.35 -0.60 1.20 0.00 0.00 173.24 173.46 1b63 s ARG 113 N -2.84 0.39 0.34 5.44 3.52 -0.88 -1.97 118.95 122.96 1b63 s ARG 113 Ca -0.02 0.54 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 1b63 s ARG 113 Cb -0.01 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1b63 s ARG 113 CO -0.06 -0.08 0.50 0.95 -0.81 0.00 0.00 175.30 175.81 1b63 s THR 114 N 0.49 4.48 0.57 4.11 -4.23 -1.26 -1.40 115.64 118.40 1b63 s THR 114 Ca -0.03 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 59.94 1b63 s THR 114 Cb -0.04 -3.60 0.34 0.00 1.34 0.00 0.00 72.50 70.55 1b63 s THR 114 CO -0.03 -0.29 2.14 0.00 -0.54 0.00 0.00 174.62 175.90 1b63 h ALA 115 N 0.83 1.85 0.00 3.99 0.00 -1.96 -0.93 119.26 123.04 1b63 h ALA 115 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b63 h ALA 115 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1b63 h ALA 115 CO 0.57 -0.19 -0.17 0.39 0.00 0.00 0.00 179.25 179.85 1b63 n GLU 116 N -4.04 0.04 -4.01 0.00 4.71 -1.26 -4.84 120.64 111.24 1b63 n GLU 116 Ca 0.00 0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.82 1b63 n GLU 116 Cb 0.24 -1.54 -0.08 0.00 -1.01 0.00 0.00 31.44 29.05 1b63 n GLU 116 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1b63 s GLN 117 N -3.02 3.53 0.04 3.49 -0.21 -0.35 -4.96 119.66 118.18 1b63 s GLN 117 Ca 0.13 -0.25 0.14 0.00 0.02 0.00 0.00 55.36 55.39 1b63 s GLN 117 Cb 0.18 -3.13 -0.17 0.00 1.00 0.00 0.00 33.01 30.89 1b63 s GLN 117 CO 0.59 0.60 0.85 1.96 -2.12 0.00 0.00 175.29 177.17 1b63 h GLN 118 N 5.58 0.00 -5.82 2.91 4.20 -1.88 -3.43 115.11 116.67 1b63 h GLN 118 Ca -0.48 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.59 1b63 h GLN 118 Cb 1.20 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 1b63 h GLN 118 CO 0.62 0.48 -0.39 -1.21 -0.67 0.00 0.00 178.83 177.66 1b63 s GLU 119 N -2.75 3.59 0.15 1.46 0.41 -1.26 -5.05 118.70 115.25 1b63 s GLU 119 Ca -0.03 -0.00 0.05 0.00 -0.41 0.00 0.00 54.97 54.59 1b63 s GLU 119 Cb 0.08 -3.15 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 1b63 s GLU 119 CO 0.81 0.71 0.08 0.00 -0.49 0.00 0.00 175.26 176.37 1b63 s ALA 120 N -1.15 3.44 0.13 5.21 0.00 -1.23 -4.75 121.76 123.40 1b63 s ALA 120 Ca 0.22 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1b63 s ALA 120 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1b63 s ALA 120 CO 0.11 0.54 -0.05 -1.58 0.00 0.00 0.00 175.76 174.78 1b63 s TRP 121 N -1.66 1.07 0.01 0.00 0.52 -0.83 -1.93 118.94 116.11 1b63 s TRP 121 Ca 0.29 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.52 1b63 s TRP 121 Cb -0.10 -0.60 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1b63 s TRP 121 CO 0.21 -0.13 -0.09 -1.14 0.02 0.00 0.00 176.95 175.82 1b63 s GLN 122 N -3.85 0.72 0.03 4.98 0.74 0.36 -1.19 119.66 121.45 1b63 s GLN 122 Ca 0.17 -0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.12 1b63 s GLN 122 Cb 0.05 -0.68 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 1b63 s GLN 122 CO -0.01 0.18 0.04 0.00 -0.55 0.00 0.00 175.29 174.95 1b63 s ALA 123 N -0.42 0.08 -0.04 1.58 0.00 0.13 -0.85 121.76 122.24 1b63 s ALA 123 Ca 0.02 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1b63 s ALA 123 Cb -0.05 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1b63 s ALA 123 CO -0.00 -0.28 0.71 1.52 0.00 0.00 0.00 175.76 177.71 1b63 s TYR 124 N -2.50 -0.60 0.11 0.00 -0.85 -1.08 -0.72 117.35 111.71 1b63 s TYR 124 Ca -0.06 0.96 0.03 0.00 -0.52 0.00 0.00 57.07 57.47 1b63 s TYR 124 Cb -0.02 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1b63 s TYR 124 CO -0.04 -0.60 0.17 0.00 -1.52 0.00 0.00 175.55 173.55 1b63 s ALA 125 N -1.51 3.76 0.14 9.51 0.00 -1.26 -1.76 121.76 130.63 1b63 s ALA 125 Ca -0.08 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1b63 s ALA 125 Cb -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1b63 s ALA 125 CO 0.06 0.66 0.30 -1.21 0.00 0.00 0.00 175.76 175.57 1b63 s GLU 126 N -2.77 1.07 0.33 0.00 2.02 0.74 -4.87 118.70 115.22 1b63 s GLU 126 Ca 0.32 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1b63 s GLU 126 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1b63 s GLU 126 CO 0.25 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1b63 n GLY 127 N -0.18 -2.89 0.44 -1.39 0.00 -1.26 0.25 105.19 100.16 1b63 n GLY 127 Ca -0.11 -1.24 0.24 0.00 0.00 0.00 0.00 46.02 44.91 1b63 n GLY 127 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b63 h ARG 128 N -0.79 0.00 -0.03 1.61 3.08 -2.00 0.62 114.38 116.87 1b63 h ARG 128 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1b63 h ARG 128 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1b63 h ARG 128 CO 0.04 0.00 -0.05 -0.25 -1.07 0.00 0.00 179.97 178.64 1b63 n ASP 129 N -3.62 2.56 -3.51 7.04 9.92 -1.26 -0.76 116.55 126.91 1b63 n ASP 129 Ca 0.14 -1.83 -0.18 0.00 -0.53 0.00 0.00 54.79 52.39 1b63 n ASP 129 Cb 0.94 0.05 0.07 0.00 -0.64 0.00 0.00 41.12 41.53 1b63 n ASP 129 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1b63 n MET 130 N 0.93 -5.80 -2.29 -1.24 2.81 0.22 -4.85 117.12 106.90 1b63 n MET 130 Ca 0.15 0.77 -0.41 0.00 -1.81 0.00 0.00 57.70 56.40 1b63 n MET 130 Cb 0.53 -5.62 -0.03 0.00 -0.71 0.00 0.00 33.22 27.39 1b63 n MET 130 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1b63 s ASN 131 N -4.31 7.01 -0.12 7.83 0.01 0.14 -4.43 114.94 121.08 1b63 s ASN 131 Ca 0.03 2.47 -0.05 0.00 -0.71 0.00 0.00 52.86 54.60 1b63 s ASN 131 Cb -0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1b63 s ASN 131 CO 0.76 -0.35 0.05 -0.69 -1.51 0.00 0.00 177.10 175.36 1b63 s VAL 132 N -1.03 4.71 -0.03 1.60 1.01 -1.26 -0.19 120.40 125.21 1b63 s VAL 132 Ca 0.48 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.44 1b63 s VAL 132 Cb -0.36 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1b63 s VAL 132 CO 0.46 0.57 -0.25 0.42 0.00 0.00 0.00 175.10 176.30 1b63 s THR 133 N -0.55 2.12 -0.08 3.92 -4.23 -0.72 -4.98 115.64 111.12 1b63 s THR 133 Ca 0.10 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1b63 s THR 133 Cb -0.12 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1b63 s THR 133 CO 0.02 0.58 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.77 1b63 s VAL 134 N -0.48 2.29 0.09 2.29 1.01 -1.26 -2.62 120.40 121.71 1b63 s VAL 134 Ca 0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1b63 s VAL 134 Cb -0.11 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1b63 s VAL 134 CO 0.00 0.56 0.11 -1.59 0.00 0.00 0.00 175.10 174.18 1b63 s LYS 135 N -0.02 0.81 0.81 2.72 -2.85 -0.03 -4.97 119.74 116.20 1b63 s LYS 135 Ca -0.07 -1.14 -0.13 0.00 -1.00 0.00 0.00 55.97 53.63 1b63 s LYS 135 Cb -0.15 0.29 0.08 0.00 -2.06 0.00 0.00 37.83 35.99 1b63 s LYS 135 CO 0.05 -0.23 1.19 -2.14 0.10 0.00 0.00 175.35 174.32 1b63 s PRO 136 N -3.92 1.67 0.11 1.78 0.02 -1.26 -0.49 135.00 132.91 1b63 s PRO 136 Ca 0.10 1.70 -0.26 0.00 0.02 0.00 0.00 61.00 62.56 1b63 s PRO 136 Cb 0.06 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.87 1b63 s PRO 136 CO -0.08 -2.18 0.90 0.00 -0.33 0.00 0.00 177.00 175.31 1b63 s ALA 137 N -2.23 -1.68 -0.15 -1.55 0.00 -0.81 -4.56 121.76 110.78 1b63 s ALA 137 Ca 0.72 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1b63 s ALA 137 Cb -0.27 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 1b63 s ALA 137 CO 0.51 -0.91 -0.03 0.00 0.00 0.00 0.00 175.76 175.33 1b63 s ALA 138 N -3.30 3.06 -0.29 0.00 0.00 -1.26 -3.56 121.76 116.41 1b63 s ALA 138 Ca 0.09 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1b63 s ALA 138 Cb -0.01 -1.57 0.16 0.00 0.00 0.00 0.00 23.12 21.70 1b63 s ALA 138 CO -0.02 0.26 1.19 -1.58 0.00 0.00 0.00 175.76 175.61 1b63 s HIS 139 N 0.20 -0.31 0.83 0.00 5.04 -1.26 -5.02 115.29 114.77 1b63 s HIS 139 Ca -0.01 0.70 -0.14 0.00 -1.54 0.00 0.00 55.06 54.07 1b63 s HIS 139 Cb -0.14 0.37 0.21 0.00 0.04 0.00 0.00 32.58 33.06 1b63 s HIS 139 CO 0.03 -0.15 0.73 -0.35 -2.34 0.00 0.00 174.74 172.66 1b63 n PRO 140 N 2.31 -2.46 -2.05 2.88 -0.04 -1.26 -4.75 135.00 129.63 1b63 n PRO 140 Ca -0.13 -1.18 -0.42 0.00 -0.04 0.00 0.00 63.50 61.73 1b63 n PRO 140 Cb 0.56 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.89 1b63 n PRO 140 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b63 s VAL 141 N -2.33 3.26 -3.46 0.52 1.01 -1.26 -4.20 120.40 113.94 1b63 s VAL 141 Ca 0.48 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1b63 s VAL 141 Cb -0.05 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1b63 s VAL 141 CO 0.37 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1b63 n GLY 142 N 3.82 0.84 3.04 4.51 0.00 -0.50 -4.64 105.19 112.25 1b63 n GLY 142 Ca 0.14 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 1b63 n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b63 s THR 143 N -2.00 0.16 -0.03 2.61 2.01 -0.98 -2.06 115.64 115.35 1b63 s THR 143 Ca 0.00 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.71 1b63 s THR 143 Cb 0.00 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1b63 s THR 143 CO 0.00 -0.72 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.29 1b63 s THR 144 N -2.56 0.44 -0.10 -0.82 2.01 0.10 -0.59 115.64 114.13 1b63 s THR 144 Ca -0.06 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1b63 s THR 144 Cb -0.02 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1b63 s THR 144 CO -0.05 0.19 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.12 1b63 s LEU 145 N 0.75 2.37 -0.15 4.42 2.01 0.50 -1.67 118.68 126.91 1b63 s LEU 145 Ca -0.09 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.62 1b63 s LEU 145 Cb -0.12 -1.49 0.02 0.00 0.01 0.00 0.00 46.19 44.61 1b63 s LEU 145 CO -0.00 0.20 -0.15 -1.61 1.01 0.00 0.00 176.35 175.79 1b63 s GLU 146 N 0.13 2.39 -0.23 1.70 2.02 -0.46 -0.97 118.70 123.28 1b63 s GLU 146 Ca -0.10 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1b63 s GLU 146 Cb -0.16 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 31.99 1b63 s GLU 146 CO 0.06 -0.20 -0.14 0.08 0.02 0.00 0.00 175.26 175.09 1b63 s VAL 147 N 1.36 2.07 0.19 2.63 1.01 0.28 -0.01 120.40 127.94 1b63 s VAL 147 Ca 0.03 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 60.74 1b63 s VAL 147 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1b63 s VAL 147 CO -0.09 0.16 -0.08 -0.76 0.00 0.00 0.00 175.10 174.33 1b63 s LEU 148 N 1.19 3.01 -1.37 3.92 1.02 -0.36 -1.05 118.68 125.04 1b63 s LEU 148 Ca -0.04 -0.59 -0.08 0.00 0.02 0.00 0.00 54.13 53.45 1b63 s LEU 148 Cb -0.17 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.37 1b63 s LEU 148 CO -0.08 0.09 0.41 0.47 0.02 0.00 0.00 176.35 177.26 1b63 n ASP 149 N -0.10 -1.24 -4.65 2.29 8.00 -0.98 -1.34 116.55 118.52 1b63 n ASP 149 Ca -0.10 -1.11 -0.48 0.00 0.71 0.00 0.00 54.79 53.81 1b63 n ASP 149 Cb 0.56 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.12 39.01 1b63 n ASP 149 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1b63 n LEU 150 N -4.49 2.69 -0.51 0.64 0.00 -1.17 -0.94 117.00 113.22 1b63 n LEU 150 Ca -0.26 1.08 -0.07 0.00 0.00 0.00 0.00 56.01 56.77 1b63 n LEU 150 Cb 0.66 -1.34 -0.03 0.00 0.00 0.00 0.00 43.42 42.71 1b63 n LEU 150 CO 0.76 -0.49 -0.06 0.49 0.00 0.00 0.00 177.39 178.09 1b63 n PHE 151 N 3.54 0.00 0.27 1.96 3.72 0.14 -4.89 117.46 122.20 1b63 n PHE 151 Ca 0.18 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.69 1b63 n PHE 151 Cb 0.25 -1.59 0.73 0.00 -0.94 0.00 0.00 39.48 37.94 1b63 n PHE 151 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1b63 h TYR 152 N 0.00 0.00 -0.46 1.38 -0.00 -1.20 -2.19 116.97 114.49 1b63 h TYR 152 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.59 1b63 h TYR 152 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.31 1b63 h TYR 152 CO 0.28 0.07 0.00 0.27 -0.00 0.00 0.00 178.16 178.78 1b63 n ASN 153 N -4.01 3.24 -3.58 0.10 6.94 -1.26 -4.69 115.26 112.00 1b63 n ASN 153 Ca -0.03 -1.99 -0.28 0.00 -0.02 0.00 0.00 54.58 52.27 1b63 n ASN 153 Cb 0.16 -0.31 -0.11 0.00 -2.36 0.00 0.00 39.78 37.16 1b63 n ASN 153 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b63 s THR 154 N -1.01 1.14 0.21 5.53 -4.23 -0.82 -5.02 115.64 111.44 1b63 s THR 154 Ca 0.31 -2.99 -0.13 0.00 -1.18 0.00 0.00 61.69 57.70 1b63 s THR 154 Cb 0.16 -1.78 0.22 0.00 1.34 0.00 0.00 72.50 72.44 1b63 s THR 154 CO 0.21 -1.11 1.64 1.55 -0.54 0.00 0.00 174.62 176.37 1b63 h PRO 155 N 5.84 0.03 -0.85 3.99 0.13 -1.84 -2.08 132.00 137.22 1b63 h PRO 155 Ca 0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1b63 h PRO 155 Cb 0.88 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 1b63 h PRO 155 CO 0.47 0.02 0.46 0.00 -0.23 0.00 0.00 178.00 178.72 1b63 h ALA 156 N 1.60 1.08 -0.10 -0.56 0.00 -1.95 -2.82 119.26 116.51 1b63 h ALA 156 Ca 0.30 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1b63 h ALA 156 Cb 0.48 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1b63 h ALA 156 CO -0.60 0.60 -0.71 0.00 0.00 0.00 0.00 179.25 178.53 1b63 h ARG 157 N 1.18 0.48 -0.06 0.00 3.08 -1.82 -2.95 114.38 114.29 1b63 h ARG 157 Ca 0.30 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1b63 h ARG 157 Cb 0.04 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1b63 h ARG 157 CO -0.05 1.01 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.77 1b63 h ARG 158 N 0.33 0.08 -0.82 0.04 2.43 -1.20 -1.59 114.38 113.66 1b63 h ARG 158 Ca -0.03 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1b63 h ARG 158 Cb 1.29 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 1b63 h ARG 158 CO 0.13 0.10 0.53 0.87 -1.51 0.00 0.00 179.97 180.09 1b63 h LYS 159 N 0.08 0.76 0.00 0.20 1.79 -1.31 -1.87 116.57 116.22 1b63 h LYS 159 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1b63 h LYS 159 Cb 0.07 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1b63 h LYS 159 CO 0.00 0.50 0.00 1.19 -1.08 0.00 0.00 179.45 180.06 1b63 n PHE 160 N -4.51 0.46 -1.82 -1.35 3.72 -0.60 -4.80 117.46 108.56 1b63 n PHE 160 Ca 0.14 0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 57.30 1b63 n PHE 160 Cb 0.31 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.03 1b63 n PHE 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1b63 s LEU 161 N -3.85 4.36 0.00 4.37 1.43 -0.70 -5.01 118.68 119.28 1b63 s LEU 161 Ca 0.05 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1b63 s LEU 161 Cb 0.09 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1b63 s LEU 161 CO 0.32 -0.88 0.00 0.54 0.23 0.00 0.00 176.35 176.55 1b63 n ARG 162 N 2.85 1.32 -1.56 1.70 5.12 -1.26 -5.05 116.66 119.77 1b63 n ARG 162 Ca 0.10 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.70 1b63 n ARG 162 Cb 0.37 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.74 1b63 n ARG 162 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1b63 s THR 163 N 0.51 3.18 0.24 0.55 -4.23 -1.26 -4.73 115.64 109.90 1b63 s THR 163 Ca 0.00 0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.95 1b63 s THR 163 Cb 0.00 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.07 1b63 s THR 163 CO 0.00 -0.39 1.70 -0.08 -0.54 0.00 0.00 174.62 175.30 1b63 h GLU 164 N -0.38 0.30 0.25 3.99 4.81 -1.96 0.11 114.58 121.70 1b63 h GLU 164 Ca -0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1b63 h GLU 164 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1b63 h GLU 164 CO 0.53 0.20 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.66 1b63 h LYS 165 N 0.31 -0.33 0.21 1.92 3.64 -1.94 -1.21 116.57 119.17 1b63 h LYS 165 Ca 0.40 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1b63 h LYS 165 Cb 0.66 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1b63 h LYS 165 CO -0.47 -0.15 -0.32 1.15 -2.27 0.00 0.00 179.45 177.38 1b63 h THR 166 N -0.43 0.32 -0.87 1.00 2.02 -1.68 0.66 112.91 113.92 1b63 h THR 166 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1b63 h THR 166 Cb 0.33 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 1b63 h THR 166 CO 0.06 0.00 0.53 -0.33 0.37 0.00 0.00 175.52 176.15 1b63 h GLU 167 N -0.61 0.91 -0.67 6.66 4.39 -0.80 -0.65 114.58 123.81 1b63 h GLU 167 Ca 0.01 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 1b63 h GLU 167 Cb 0.60 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1b63 h GLU 167 CO -0.13 0.60 0.13 0.35 -1.16 0.00 0.00 179.01 178.80 1b63 h PHE 168 N 0.94 1.16 -0.90 4.33 3.57 -0.85 -2.67 116.94 122.52 1b63 h PHE 168 Ca 0.40 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1b63 h PHE 168 Cb 0.25 -0.32 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 1b63 h PHE 168 CO -0.03 0.96 0.54 -0.91 -2.23 0.00 0.00 178.31 176.64 1b63 h ASN 169 N 1.03 0.78 -0.59 0.41 4.21 0.67 0.17 115.58 122.26 1b63 h ASN 169 Ca 0.21 0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.69 1b63 h ASN 169 Cb 0.41 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 1b63 h ASN 169 CO 0.01 0.43 0.09 0.45 -1.29 0.00 0.00 177.43 177.12 1b63 h HIS 170 N 0.88 1.07 -0.06 1.19 3.86 -1.09 -0.65 115.15 120.35 1b63 h HIS 170 Ca 0.44 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1b63 h HIS 170 Cb 0.41 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1b63 h HIS 170 CO -0.04 0.91 0.02 0.82 0.86 0.00 0.00 177.93 180.51 1b63 h ILE 171 N 0.95 0.99 -0.80 2.45 2.04 -0.76 0.33 117.51 122.72 1b63 h ILE 171 Ca 0.19 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.09 1b63 h ILE 171 Cb 0.43 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1b63 h ILE 171 CO 0.01 0.01 0.48 -0.78 0.00 0.00 0.00 178.15 177.88 1b63 h ASP 172 N 0.05 0.76 -0.68 1.72 3.58 -0.48 0.12 116.42 121.50 1b63 h ASP 172 Ca 0.02 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1b63 h ASP 172 Cb 0.01 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1b63 h ASP 172 CO -0.02 0.49 0.13 -0.08 -2.88 0.00 0.00 179.24 176.88 1b63 h GLU 173 N 0.90 1.11 -0.36 0.28 4.57 -0.64 -0.43 114.58 120.00 1b63 h GLU 173 Ca 0.34 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1b63 h GLU 173 Cb 0.15 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1b63 h GLU 173 CO -0.17 1.00 0.15 0.82 -1.18 0.00 0.00 179.01 179.64 1b63 h ILE 174 N 1.05 1.18 -0.57 2.32 1.08 0.11 -1.84 117.51 120.84 1b63 h ILE 174 Ca 0.21 -0.55 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 1b63 h ILE 174 Cb 0.42 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1b63 h ILE 174 CO 0.01 0.20 0.23 0.40 -0.69 0.00 0.00 178.15 178.30 1b63 h ILE 175 N 0.44 1.20 0.18 -0.67 1.08 -0.83 -1.55 117.51 117.37 1b63 h ILE 175 Ca 0.12 -0.62 0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1b63 h ILE 175 Cb 0.17 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1b63 h ILE 175 CO -0.01 0.25 -0.41 -0.09 -0.69 0.00 0.00 178.15 177.20 1b63 h ARG 176 N 0.81 -0.66 -0.77 2.37 9.65 -0.50 0.13 114.38 125.41 1b63 h ARG 176 Ca 0.19 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1b63 h ARG 176 Cb 0.15 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 1b63 h ARG 176 CO -0.02 -0.44 0.51 0.00 2.80 0.00 0.00 179.97 182.82 1b63 h ARG 177 N -0.68 1.01 -0.55 0.20 3.08 -0.94 -2.68 114.38 113.81 1b63 h ARG 177 Ca 0.01 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1b63 h ARG 177 Cb 0.68 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1b63 h ARG 177 CO -0.20 0.67 -0.08 0.82 -1.07 0.00 0.00 179.97 180.11 1b63 h ILE 178 N 1.04 1.27 -0.57 2.04 2.04 -0.97 -2.84 117.51 119.52 1b63 h ILE 178 Ca 0.29 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1b63 h ILE 178 Cb -0.11 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1b63 h ILE 178 CO -0.07 0.44 0.34 0.00 0.00 0.00 0.00 178.15 178.86 1b63 h ALA 179 N 0.98 1.53 0.00 1.87 0.00 -0.47 -1.45 119.26 121.72 1b63 h ALA 179 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b63 h ALA 179 Cb 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1b63 h ALA 179 CO 0.04 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.63 1b63 h LEU 180 N 0.78 0.00 0.14 0.00 3.38 -1.30 -3.18 115.31 115.13 1b63 h LEU 180 Ca 0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 1b63 h LEU 180 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1b63 h LEU 180 CO -0.04 0.00 -1.31 0.00 0.09 0.00 0.00 178.44 177.19 1b63 h ALA 181 N 2.26 0.10 -3.23 1.53 0.00 -1.04 -3.41 119.26 115.48 1b63 h ALA 181 Ca 0.00 -0.92 -0.62 0.00 0.00 0.00 0.00 54.91 53.37 1b63 h ALA 181 Cb 0.69 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.14 1b63 h ALA 181 CO 0.00 0.98 -0.72 1.03 0.00 0.00 0.00 179.25 180.54 1b63 s ARG 182 N -2.65 1.26 0.50 0.00 1.81 -1.06 -4.94 118.95 113.88 1b63 s ARG 182 Ca -0.05 -1.81 0.29 0.00 -1.72 0.00 0.00 55.73 52.44 1b63 s ARG 182 Cb 0.07 -2.56 1.14 0.00 -0.45 0.00 0.00 34.95 33.15 1b63 s ARG 182 CO 0.88 -1.06 1.91 0.74 -0.68 0.00 0.00 175.30 177.09 1b63 h PHE 183 N 7.25 0.00 -0.10 -0.53 -1.00 -1.81 -2.87 116.94 117.87 1b63 h PHE 183 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1b63 h PHE 183 Cb 0.96 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.52 1b63 h PHE 183 CO 0.45 0.10 0.00 -0.40 -1.61 0.00 0.00 178.31 176.85 1b63 n ASP 184 N -3.24 0.76 -4.12 2.17 5.75 -1.26 0.10 116.55 116.70 1b63 n ASP 184 Ca 0.00 -2.02 -0.29 0.00 -0.01 0.00 0.00 54.79 52.47 1b63 n ASP 184 Cb 0.37 -0.16 -0.17 0.00 -1.03 0.00 0.00 41.12 40.13 1b63 n ASP 184 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1b63 s VAL 185 N -1.74 1.63 -0.02 2.12 1.01 -1.09 -4.76 120.40 117.54 1b63 s VAL 185 Ca 0.07 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1b63 s VAL 185 Cb 0.04 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1b63 s VAL 185 CO 0.04 0.46 0.79 -0.89 0.00 0.00 0.00 175.10 175.50 1b63 s THR 186 N 0.53 4.93 -0.06 3.92 2.01 0.51 -4.17 115.64 123.31 1b63 s THR 186 Ca -0.16 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.49 1b63 s THR 186 Cb -0.17 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1b63 s THR 186 CO 0.06 0.25 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 1b63 s ILE 187 N 0.66 0.77 -0.09 1.82 1.01 -0.20 -0.81 121.20 124.36 1b63 s ILE 187 Ca 0.41 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.86 1b63 s ILE 187 Cb -0.19 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1b63 s ILE 187 CO 0.22 0.28 -0.22 0.20 0.00 0.00 0.00 174.94 175.43 1b63 s ASN 188 N 0.99 3.32 -0.09 3.58 0.01 -0.28 -0.23 114.94 122.23 1b63 s ASN 188 Ca -0.09 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 1b63 s ASN 188 Cb -0.14 -1.18 0.01 0.00 0.41 0.00 0.00 41.25 40.34 1b63 s ASN 188 CO 0.00 0.21 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.42 1b63 s LEU 189 N 0.06 1.77 0.11 0.60 2.96 0.54 -0.10 118.68 124.62 1b63 s LEU 189 Ca -0.09 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 1b63 s LEU 189 Cb -0.15 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1b63 s LEU 189 CO 0.06 0.05 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.52 1b63 s SER 190 N 0.77 2.25 -0.06 3.68 0.01 -0.15 -0.58 113.70 119.63 1b63 s SER 190 Ca -0.11 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1b63 s SER 190 Cb -0.16 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1b63 s SER 190 CO 0.02 -0.03 -0.05 -2.28 0.41 0.00 0.00 173.24 171.30 1b63 s HIS 191 N -1.56 0.94 -1.46 2.43 2.46 0.11 -1.07 115.29 117.13 1b63 s HIS 191 Ca 0.07 -0.31 -0.05 0.00 0.47 0.00 0.00 55.06 55.23 1b63 s HIS 191 Cb -0.08 -0.82 0.04 0.00 -0.13 0.00 0.00 32.58 31.59 1b63 s HIS 191 CO 0.04 -0.26 0.61 0.09 -2.47 0.00 0.00 174.74 172.75 1b63 n ASN 192 N 4.28 -1.61 0.00 9.88 3.02 0.14 -1.53 115.26 129.44 1b63 n ASN 192 Ca -0.20 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1b63 n ASN 192 Cb 0.51 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 1b63 n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b63 n GLY 193 N -1.77 0.65 3.17 7.41 0.00 -1.26 -5.02 105.19 108.36 1b63 n GLY 193 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1b63 n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b63 s LYS 194 N -0.13 1.99 0.01 1.61 2.20 -0.58 -5.10 119.74 119.73 1b63 s LYS 194 Ca 0.00 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1b63 s LYS 194 Cb 0.00 -1.72 -0.06 0.00 -1.51 0.00 0.00 37.83 34.55 1b63 s LYS 194 CO 0.00 0.28 1.41 0.42 -0.36 0.00 0.00 175.35 177.10 1b63 s ILE 195 N -0.02 3.67 -0.22 5.43 1.01 -1.26 0.05 121.20 129.87 1b63 s ILE 195 Ca -0.04 1.07 0.11 0.00 0.00 0.00 0.00 60.65 61.79 1b63 s ILE 195 Cb -0.12 -3.69 -0.21 0.00 0.01 0.00 0.00 42.46 38.45 1b63 s ILE 195 CO 0.03 0.00 -0.05 0.52 0.00 0.00 0.00 174.94 175.43 1b63 n VAL 196 N 4.63 1.37 -3.50 2.92 0.31 0.26 -4.92 118.33 119.40 1b63 n VAL 196 Ca 0.13 -0.71 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 1b63 n VAL 196 Cb 0.43 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.48 1b63 n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b63 s ARG 197 N -2.48 0.85 -0.23 5.55 1.70 -0.94 -5.02 118.95 118.38 1b63 s ARG 197 Ca -0.20 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.78 1b63 s ARG 197 Cb 0.07 0.39 0.12 0.00 -0.57 0.00 0.00 34.95 34.96 1b63 s ARG 197 CO 0.70 -0.36 0.41 1.14 -1.08 0.00 0.00 175.30 176.11 1b63 s GLN 198 N -2.89 0.35 -0.48 3.89 -2.07 -1.26 -0.34 119.66 116.86 1b63 s GLN 198 Ca 0.03 0.76 -0.15 0.00 -1.82 0.00 0.00 55.36 54.18 1b63 s GLN 198 Cb -0.01 -0.11 0.09 0.00 -1.09 0.00 0.00 33.01 31.89 1b63 s GLN 198 CO -0.08 -0.49 0.40 0.71 -1.32 0.00 0.00 175.29 174.52 1b63 s TYR 199 N 2.59 3.26 0.33 9.60 1.51 0.68 -4.95 117.35 130.38 1b63 s TYR 199 Ca 0.08 -1.10 -0.27 0.00 -1.01 0.00 0.00 57.07 54.76 1b63 s TYR 199 Cb -0.14 -3.30 -0.09 0.00 -0.11 0.00 0.00 41.96 38.31 1b63 s TYR 199 CO -0.15 -0.86 1.13 0.50 -1.11 0.00 0.00 175.55 175.06 1b63 s ARG 200 N 1.60 4.39 0.58 -0.62 6.06 -1.26 -1.03 118.95 128.66 1b63 s ARG 200 Ca 0.04 1.81 -0.20 0.00 -2.50 0.00 0.00 55.73 54.87 1b63 s ARG 200 Cb -0.26 -2.94 -0.04 0.00 0.06 0.00 0.00 34.95 31.77 1b63 s ARG 200 CO 0.05 -0.02 1.32 0.00 -2.50 0.00 0.00 175.30 174.15 1b63 s ALA 201 N -1.30 2.67 -0.26 6.12 0.00 -1.26 -4.81 121.76 122.92 1b63 s ALA 201 Ca 0.50 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.54 1b63 s ALA 201 Cb -0.31 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1b63 s ALA 201 CO 0.40 -1.41 0.55 0.08 0.00 0.00 0.00 175.76 175.38 1b63 s VAL 202 N -1.35 5.04 1.43 0.00 1.01 0.11 -4.96 120.40 121.68 1b63 s VAL 202 Ca 0.75 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1b63 s VAL 202 Cb -0.39 -3.86 0.36 0.00 0.00 0.00 0.00 36.38 32.50 1b63 s VAL 202 CO 0.44 0.07 0.86 -0.81 0.00 0.00 0.00 175.10 175.66 1b63 n PRO 203 N 5.59 -4.49 -1.68 2.72 -0.04 -1.26 -4.49 135.00 131.35 1b63 n PRO 203 Ca -0.03 -1.33 -0.46 0.00 -0.04 0.00 0.00 63.50 61.64 1b63 n PRO 203 Cb 0.49 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1b63 n PRO 203 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1b63 n GLU 204 N -5.50 2.31 -0.57 0.54 -0.58 -1.26 -1.33 120.64 114.25 1b63 n GLU 204 Ca 0.12 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1b63 n GLU 204 Cb 0.58 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1b63 n GLU 204 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b63 n GLY 205 N 3.87 0.00 3.24 0.62 0.00 -1.26 -4.91 105.19 106.75 1b63 n GLY 205 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1b63 n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b63 n GLY 206 N -0.90 -2.56 3.59 -0.02 0.00 -0.44 -4.86 105.19 99.99 1b63 n GLY 206 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1b63 n GLY 206 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b63 s GLN 207 N -3.57 3.71 0.26 1.61 2.00 -1.26 -4.90 119.66 117.51 1b63 s GLN 207 Ca 0.54 0.46 0.03 0.00 -2.00 0.00 0.00 55.36 54.39 1b63 s GLN 207 Cb -0.11 -3.87 0.34 0.00 0.80 0.00 0.00 33.01 30.17 1b63 s GLN 207 CO 0.60 -1.17 1.64 0.87 -0.50 0.00 0.00 175.29 176.73 1b63 h LYS 208 N 8.89 0.36 -1.29 1.67 1.57 -1.96 -3.01 116.57 122.81 1b63 h LYS 208 Ca -0.23 -0.18 0.41 0.00 -1.87 0.00 0.00 60.65 58.77 1b63 h LYS 208 Cb 1.07 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.26 1b63 h LYS 208 CO 1.05 0.73 0.84 0.93 -0.57 0.00 0.00 179.45 182.42 1b63 h GLU 209 N 0.30 0.13 0.26 3.15 3.07 -1.98 -0.26 114.58 119.24 1b63 h GLU 209 Ca 0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1b63 h GLU 209 Cb 0.88 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.72 1b63 h GLU 209 CO 0.07 0.08 -0.48 0.00 -1.40 0.00 0.00 179.01 177.29 1b63 h ARG 210 N 0.13 -0.78 -0.48 2.33 3.08 -1.95 0.38 114.38 117.09 1b63 h ARG 210 Ca 0.78 0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.82 1b63 h ARG 210 Cb 2.42 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 32.63 1b63 h ARG 210 CO -0.38 -0.52 0.07 -0.09 -1.07 0.00 0.00 179.97 177.98 1b63 h ARG 211 N -0.81 0.80 -0.42 0.04 2.43 -1.28 -1.08 114.38 114.06 1b63 h ARG 211 Ca -0.02 -0.22 0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1b63 h ARG 211 Cb 0.77 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 1b63 h ARG 211 CO -0.19 0.81 -0.06 1.25 -1.51 0.00 0.00 179.97 180.27 1b63 h LEU 212 N 0.67 -0.30 -1.03 3.80 5.85 -1.06 0.20 115.31 123.44 1b63 h LEU 212 Ca 0.15 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1b63 h LEU 212 Cb 0.40 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1b63 h LEU 212 CO 0.01 -0.10 -0.17 1.23 -0.34 0.00 0.00 178.44 179.07 1b63 h GLY 213 N 0.04 0.53 1.89 3.75 0.00 -0.06 0.13 103.07 109.36 1b63 h GLY 213 Ca 0.20 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1b63 h GLY 213 CO -0.39 0.36 -0.47 0.00 0.00 0.00 0.00 176.54 176.04 1b63 h ALA 214 N 1.37 1.13 0.01 3.60 0.00 0.16 -1.10 119.26 124.43 1b63 h ALA 214 Ca 0.08 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 1b63 h ALA 214 Cb 0.56 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1b63 h ALA 214 CO 0.04 0.61 -1.42 -0.89 0.00 0.00 0.00 179.25 177.59 1b63 n ILE 215 N -3.98 1.55 0.31 0.00 5.41 0.55 -4.56 119.36 118.64 1b63 n ILE 215 Ca -0.02 -0.09 0.12 0.00 1.00 0.00 0.00 62.75 63.76 1b63 n ILE 215 Cb 0.50 -2.01 0.06 0.00 -0.71 0.00 0.00 39.64 37.48 1b63 n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b63 n GLY 217 N 1.26 2.47 0.24 0.00 0.00 -0.41 -4.52 105.19 104.23 1b63 n GLY 217 Ca 0.01 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1b63 n GLY 217 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b63 h THR 218 N 0.00 1.13 -0.65 2.61 1.35 -1.93 -2.63 112.91 112.80 1b63 h THR 218 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1b63 h THR 218 Cb 0.00 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 1b63 h THR 218 CO 0.00 0.18 0.42 0.00 -0.25 0.00 0.00 175.52 175.87 1b63 h ALA 219 N 1.76 0.82 -0.32 6.62 0.00 -1.93 -0.74 119.26 125.47 1b63 h ALA 219 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1b63 h ALA 219 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1b63 h ALA 219 CO 0.02 0.26 -0.05 0.35 0.00 0.00 0.00 179.25 179.82 1b63 h PHE 220 N 0.87 0.65 -0.78 0.00 3.57 -1.71 -3.03 116.94 116.52 1b63 h PHE 220 Ca 0.24 -0.13 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1b63 h PHE 220 Cb -0.09 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1b63 h PHE 220 CO -0.03 0.75 0.51 1.25 -2.23 0.00 0.00 178.31 178.56 1b63 h LEU 221 N 0.37 0.76 -1.13 0.59 5.85 -1.12 0.36 115.31 121.00 1b63 h LEU 221 Ca 0.08 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1b63 h LEU 221 Cb 0.52 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1b63 h LEU 221 CO 0.03 0.50 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.04 1b63 h GLU 222 N 0.87 0.00 -0.07 1.25 5.08 -1.03 -3.00 114.58 117.68 1b63 h GLU 222 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1b63 h GLU 222 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1b63 h GLU 222 CO -0.11 0.26 0.00 1.04 -1.00 0.00 0.00 179.01 179.21 1b63 n GLN 223 N -3.47 1.36 -2.20 2.33 1.13 -0.55 -4.99 117.38 110.99 1b63 n GLN 223 Ca -0.00 -1.53 -0.43 0.00 -1.94 0.00 0.00 57.00 53.11 1b63 n GLN 223 Cb 0.44 -1.31 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 1b63 n GLN 223 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b63 s ALA 224 N -1.29 3.60 -0.32 -1.58 0.00 0.12 -2.41 121.76 119.87 1b63 s ALA 224 Ca 0.20 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 1b63 s ALA 224 Cb 0.14 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1b63 s ALA 224 CO 0.20 -1.36 0.16 -0.51 0.00 0.00 0.00 175.76 174.25 1b63 s LEU 225 N 3.93 4.24 0.27 0.00 1.43 -0.28 -4.89 118.68 123.38 1b63 s LEU 225 Ca 0.65 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1b63 s LEU 225 Cb -0.27 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 1b63 s LEU 225 CO 0.23 -0.24 1.47 0.00 0.23 0.00 0.00 176.35 178.05 1b63 s ALA 226 N 1.60 3.65 -0.06 4.21 0.00 -1.26 -1.59 121.76 128.30 1b63 s ALA 226 Ca 0.04 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1b63 s ALA 226 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1b63 s ALA 226 CO 0.06 -0.80 -0.21 0.42 0.00 0.00 0.00 175.76 175.23 1b63 s ILE 227 N -0.09 2.44 -0.29 0.00 1.01 0.05 -4.95 121.20 119.37 1b63 s ILE 227 Ca 0.60 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1b63 s ILE 227 Cb -0.43 -1.92 0.12 0.00 0.01 0.00 0.00 42.46 40.23 1b63 s ILE 227 CO 0.45 0.57 0.20 -1.61 0.00 0.00 0.00 174.94 174.56 1b63 s GLU 228 N -0.32 0.25 -0.02 2.79 2.02 -1.25 -3.21 118.70 118.96 1b63 s GLU 228 Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1b63 s GLU 228 Cb -0.13 -0.94 0.03 0.00 0.10 0.00 0.00 34.13 33.19 1b63 s GLU 228 CO 0.02 -1.02 0.02 -0.46 0.02 0.00 0.00 175.26 173.84 1b63 s TRP 229 N 2.21 0.09 0.05 1.61 -0.11 -0.64 -5.01 118.94 117.15 1b63 s TRP 229 Ca 0.09 0.09 -0.05 0.00 1.22 0.00 0.00 56.10 57.45 1b63 s TRP 229 Cb -0.15 -0.26 -0.02 0.00 -1.50 0.00 0.00 33.47 31.54 1b63 s TRP 229 CO -0.35 -0.09 0.08 -1.14 -4.62 0.00 0.00 176.95 170.83 1b63 s GLN 230 N 1.00 0.64 -0.33 5.86 0.74 -1.26 0.46 119.66 126.76 1b63 s GLN 230 Ca -0.09 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.41 1b63 s GLN 230 Cb -0.12 0.25 0.19 0.00 1.10 0.00 0.00 33.01 34.42 1b63 s GLN 230 CO -0.03 -0.16 0.78 -1.58 -0.55 0.00 0.00 175.29 173.75 1b63 s HIS 231 N -3.19 -1.26 0.00 1.67 2.46 -0.34 -5.00 115.29 109.63 1b63 s HIS 231 Ca -0.00 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.02 1b63 s HIS 231 Cb 0.02 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 1b63 s HIS 231 CO -0.07 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.82 1b63 n GLY 232 N 4.75 2.26 0.21 1.59 0.00 -1.26 -2.34 105.19 110.40 1b63 n GLY 232 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1b63 n GLY 232 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b63 h ASP 233 N 0.00 0.35 -3.49 1.61 3.32 -1.99 -3.44 116.42 112.78 1b63 h ASP 233 Ca 0.00 -0.14 -0.52 0.00 0.02 0.00 0.00 57.03 56.39 1b63 h ASP 233 Cb 0.00 -0.10 0.05 0.00 0.22 0.00 0.00 39.33 39.50 1b63 h ASP 233 CO 0.00 0.69 0.69 -0.76 -1.72 0.00 0.00 179.24 178.13 1b63 s LEU 234 N -8.40 4.41 -0.18 1.55 1.43 -0.99 -4.26 118.68 112.25 1b63 s LEU 234 Ca -0.05 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1b63 s LEU 234 Cb 0.13 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.78 1b63 s LEU 234 CO 0.78 -0.59 0.44 0.28 0.23 0.00 0.00 176.35 177.50 1b63 s THR 235 N -0.21 -0.01 -0.15 5.49 -1.32 -0.88 -1.20 115.64 117.35 1b63 s THR 235 Ca 0.56 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 61.10 1b63 s THR 235 Cb -0.39 -0.64 0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1b63 s THR 235 CO 0.43 0.02 -0.19 -0.22 -2.21 0.00 0.00 174.62 172.45 1b63 s LEU 236 N 0.91 2.00 0.19 9.08 2.96 0.17 -1.38 118.68 132.62 1b63 s LEU 236 Ca -0.05 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1b63 s LEU 236 Cb -0.06 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 1b63 s LEU 236 CO -0.07 0.02 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.82 1b63 s ARG 237 N 1.12 1.21 0.00 1.98 0.52 -0.34 -1.62 118.95 121.82 1b63 s ARG 237 Ca -0.01 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 1b63 s ARG 237 Cb -0.14 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1b63 s ARG 237 CO -0.07 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1b63 n GLY 238 N -0.32 0.50 2.95 -3.53 0.00 -1.20 0.65 105.19 104.25 1b63 n GLY 238 Ca -0.07 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 1b63 n GLY 238 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b63 s TRP 239 N -1.45 0.04 -0.06 1.61 0.51 0.33 -0.77 118.94 119.15 1b63 s TRP 239 Ca 0.00 -0.07 0.02 0.00 -2.12 0.00 0.00 56.10 53.93 1b63 s TRP 239 Cb 0.00 -0.04 0.02 0.00 -0.81 0.00 0.00 33.47 32.63 1b63 s TRP 239 CO 0.00 -0.09 -0.10 0.08 -0.51 0.00 0.00 176.95 176.34 1b63 s VAL 240 N -0.48 0.93 0.34 4.03 1.01 -0.62 -1.19 120.40 124.42 1b63 s VAL 240 Ca -0.05 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1b63 s VAL 240 Cb -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1b63 s VAL 240 CO -0.00 0.31 1.09 0.00 0.00 0.00 0.00 175.10 176.50 1b63 s ALA 241 N 0.75 3.25 0.03 5.51 0.00 -0.23 -1.13 121.76 129.95 1b63 s ALA 241 Ca -0.13 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1b63 s ALA 241 Cb -0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 1b63 s ALA 241 CO 0.02 -0.23 1.91 -3.47 0.00 0.00 0.00 175.76 174.00 1b63 n ASP 242 N 0.57 3.94 -0.13 0.00 -0.08 -1.01 -4.68 116.55 115.15 1b63 n ASP 242 Ca 0.02 0.94 0.08 0.00 -1.51 0.00 0.00 54.79 54.32 1b63 n ASP 242 Cb 0.47 -1.49 0.41 0.00 2.34 0.00 0.00 41.12 42.85 1b63 n ASP 242 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1b63 h PRO 243 N 9.70 0.60 0.00 -0.67 0.11 -1.94 -0.50 132.00 139.30 1b63 h PRO 243 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1b63 h PRO 243 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1b63 h PRO 243 CO 0.94 0.40 0.00 -0.97 -0.21 0.00 0.00 178.00 178.16 1b63 h ASN 244 N 0.62 0.00 0.00 -2.05 -1.24 -1.96 -2.79 115.58 108.16 1b63 h ASN 244 Ca 0.29 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1b63 h ASN 244 Cb 0.33 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1b63 h ASN 244 CO -0.09 0.00 -0.39 1.41 -1.29 0.00 0.00 177.43 177.07 1b63 n HIS 245 N -3.05 0.00 -3.64 0.67 8.25 -0.25 -5.02 115.22 112.18 1b63 n HIS 245 Ca -0.01 -1.33 -0.36 0.00 -0.26 0.00 0.00 57.72 55.76 1b63 n HIS 245 Cb 0.22 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1b63 n HIS 245 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1b63 s THR 246 N -3.01 5.33 0.34 1.59 2.01 -0.91 -4.86 115.64 116.12 1b63 s THR 246 Ca 0.36 0.46 0.08 0.00 0.31 0.00 0.00 61.69 62.90 1b63 s THR 246 Cb 0.34 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1b63 s THR 246 CO -0.05 0.47 0.17 0.42 -0.69 0.00 0.00 174.62 174.95 1b63 s THR 247 N -0.08 3.11 0.32 -0.82 -4.23 -1.26 -4.98 115.64 107.69 1b63 s THR 247 Ca 0.16 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1b63 s THR 247 Cb -0.13 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.98 1b63 s THR 247 CO 0.04 -0.18 1.91 -0.65 -0.54 0.00 0.00 174.62 175.21 1b63 h PRO 248 N 1.49 0.92 -0.50 3.99 0.11 -1.98 0.14 132.00 136.17 1b63 h PRO 248 Ca -0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1b63 h PRO 248 Cb 1.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1b63 h PRO 248 CO 0.62 0.61 0.19 0.00 -0.21 0.00 0.00 178.00 179.22 1b63 h ALA 249 N 1.53 0.64 -0.26 -0.75 0.00 -2.00 -2.65 119.26 115.78 1b63 h ALA 249 Ca 0.39 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1b63 h ALA 249 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b63 h ALA 249 CO -0.15 0.26 -0.30 -0.07 0.00 0.00 0.00 179.25 178.99 1b63 h LEU 250 N 0.66 0.53 -0.01 0.00 3.38 -1.64 -2.52 115.31 115.71 1b63 h LEU 250 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1b63 h LEU 250 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1b63 h LEU 250 CO -0.01 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1b63 n ALA 251 N -2.49 1.09 0.49 1.53 0.00 0.38 -0.33 120.51 121.18 1b63 n ALA 251 Ca -0.01 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1b63 n ALA 251 Cb 0.44 -1.03 0.45 0.00 0.00 0.00 0.00 19.45 19.30 1b63 n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b63 n GLU 252 N -1.51 0.15 -3.30 0.00 1.02 -0.95 -4.25 120.64 111.79 1b63 n GLU 252 Ca 0.00 0.32 -0.47 0.00 -0.02 0.00 0.00 57.16 57.00 1b63 n GLU 252 Cb 0.02 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1b63 n GLU 252 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b63 s ILE 253 N -3.19 5.49 -0.47 -3.67 1.01 0.55 -4.87 121.20 116.04 1b63 s ILE 253 Ca 0.06 -2.23 0.08 0.00 0.00 0.00 0.00 60.65 58.57 1b63 s ILE 253 Cb 0.10 -4.46 0.29 0.00 0.01 0.00 0.00 42.46 38.41 1b63 s ILE 253 CO 0.40 -1.02 0.71 0.00 0.00 0.00 0.00 174.94 175.03 1b63 n GLN 254 N 4.37 1.64 -3.20 2.79 6.02 -1.23 0.10 117.38 127.88 1b63 n GLN 254 Ca 0.09 -3.88 -0.40 0.00 -0.01 0.00 0.00 57.00 52.79 1b63 n GLN 254 Cb 0.46 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.88 1b63 n GLN 254 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b63 s TYR 255 N -2.23 3.25 0.04 1.08 2.02 0.15 -4.96 117.35 116.68 1b63 s TYR 255 Ca 0.40 0.59 0.08 0.00 -0.37 0.00 0.00 57.07 57.77 1b63 s TYR 255 Cb 0.24 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 1b63 s TYR 255 CO -0.09 -0.36 -0.23 0.00 -1.57 0.00 0.00 175.55 173.30 1b63 s TYR 257 N -0.78 0.75 -0.22 0.00 1.51 -0.48 -0.81 117.35 117.32 1b63 s TYR 257 Ca 0.09 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1b63 s TYR 257 Cb -0.09 -0.46 0.05 0.00 -0.11 0.00 0.00 41.96 41.35 1b63 s TYR 257 CO 0.02 -0.02 -0.08 0.08 -1.11 0.00 0.00 175.55 174.44 1b63 s VAL 258 N -0.56 1.66 -1.51 0.71 1.01 -0.43 -0.38 120.40 120.91 1b63 s VAL 258 Ca -0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 1b63 s VAL 258 Cb -0.05 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.58 1b63 s VAL 258 CO 0.00 0.03 0.90 0.59 0.00 0.00 0.00 175.10 176.62 1b63 n ASN 259 N 4.65 -3.92 0.00 3.32 3.02 0.68 -1.62 115.26 121.39 1b63 n ASN 259 Ca -0.13 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1b63 n ASN 259 Cb 0.45 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1b63 n ASN 259 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b63 n GLY 260 N -1.67 2.38 3.71 7.41 0.00 -1.26 -5.02 105.19 110.74 1b63 n GLY 260 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1b63 n GLY 260 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b63 s ARG 261 N -0.22 4.28 0.37 1.61 3.52 -0.64 -4.90 118.95 122.97 1b63 s ARG 261 Ca 0.00 0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 55.67 1b63 s ARG 261 Cb 0.00 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.81 1b63 s ARG 261 CO 0.00 0.10 1.47 0.00 -0.81 0.00 0.00 175.30 176.06 1b63 s MET 262 N 0.85 4.13 -0.22 5.12 0.23 -1.26 -1.31 119.30 126.84 1b63 s MET 262 Ca 0.23 2.54 -0.22 0.00 -1.03 0.00 0.00 55.69 57.21 1b63 s MET 262 Cb -0.15 -2.98 0.06 0.00 -1.53 0.00 0.00 34.83 30.24 1b63 s MET 262 CO 0.09 -0.50 0.62 1.41 -2.03 0.00 0.00 175.02 174.60 1b63 s MET 263 N -2.07 0.74 -0.38 3.16 1.75 0.01 -4.87 119.30 117.64 1b63 s MET 263 Ca 0.52 0.81 -0.03 0.00 -1.25 0.00 0.00 55.69 55.75 1b63 s MET 263 Cb -0.46 0.36 0.09 0.00 2.84 0.00 0.00 34.83 37.66 1b63 s MET 263 CO 0.62 -0.10 0.15 1.03 -0.65 0.00 0.00 175.02 176.08 1b63 s ARG 264 N 0.22 2.10 -0.11 4.11 0.52 -1.26 -4.03 118.95 120.50 1b63 s ARG 264 Ca -0.01 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.54 1b63 s ARG 264 Cb -0.04 -3.49 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1b63 s ARG 264 CO 0.01 -0.96 -0.18 0.34 0.02 0.00 0.00 175.30 174.54 1b63 s ASP 265 N 1.66 3.62 0.30 0.23 2.15 -1.26 -4.84 116.67 118.52 1b63 s ASP 265 Ca 0.05 -0.42 0.03 0.00 0.43 0.00 0.00 52.55 52.64 1b63 s ASP 265 Cb -0.22 -1.48 0.46 0.00 -0.30 0.00 0.00 42.92 41.38 1b63 s ASP 265 CO -0.03 0.17 1.76 0.03 -0.17 0.00 0.00 175.17 176.93 1b63 h ARG 266 N 6.64 0.46 0.38 4.34 3.08 -1.98 -1.84 114.38 125.47 1b63 h ARG 266 Ca -0.24 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1b63 h ARG 266 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1b63 h ARG 266 CO 0.52 0.65 -0.18 1.25 -1.07 0.00 0.00 179.97 181.14 1b63 h LEU 267 N 0.42 -0.43 0.13 3.04 5.85 -1.99 -0.78 115.31 121.54 1b63 h LEU 267 Ca 0.07 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1b63 h LEU 267 Cb 0.60 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1b63 h LEU 267 CO 0.04 -0.26 -0.12 0.40 -0.34 0.00 0.00 178.44 178.17 1b63 h ILE 268 N -0.58 0.73 -0.81 4.05 2.04 -1.96 -1.93 117.51 119.05 1b63 h ILE 268 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1b63 h ILE 268 Cb 0.43 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1b63 h ILE 268 CO 0.09 0.00 0.53 0.78 0.00 0.00 0.00 178.15 179.55 1b63 h ASN 269 N -0.27 0.79 -0.17 1.72 4.21 -1.32 -1.45 115.58 119.09 1b63 h ASN 269 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1b63 h ASN 269 Cb 0.25 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1b63 h ASN 269 CO -0.03 0.52 0.09 -0.74 -1.29 0.00 0.00 177.43 175.98 1b63 h HIS 270 N 0.91 0.24 -0.19 1.19 2.76 -0.73 -0.71 115.15 118.61 1b63 h HIS 270 Ca 0.35 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.53 1b63 h HIS 270 Cb 0.20 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1b63 h HIS 270 CO -0.00 0.25 0.03 0.00 -1.30 0.00 0.00 177.93 176.91 1b63 h ALA 271 N 0.96 0.19 0.20 5.26 0.00 -0.73 0.12 119.26 125.26 1b63 h ALA 271 Ca 0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1b63 h ALA 271 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1b63 h ALA 271 CO -0.01 -0.41 -0.25 0.82 0.00 0.00 0.00 179.25 179.40 1b63 h ILE 272 N 0.10 0.46 -0.86 0.00 2.04 -1.12 -0.79 117.51 117.34 1b63 h ILE 272 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1b63 h ILE 272 Cb 0.09 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1b63 h ILE 272 CO -0.13 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.62 1b63 h ARG 273 N -0.50 1.10 -0.51 2.37 3.08 -0.93 -1.78 114.38 117.21 1b63 h ARG 273 Ca 0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1b63 h ARG 273 Cb 0.49 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1b63 h ARG 273 CO -0.09 0.73 0.17 0.37 -1.07 0.00 0.00 179.97 180.08 1b63 h GLN 274 N 1.13 0.78 -0.70 0.04 4.15 -0.33 0.26 115.11 120.44 1b63 h GLN 274 Ca 0.32 -0.16 0.02 0.00 0.77 0.00 0.00 58.65 59.60 1b63 h GLN 274 Cb -0.08 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 1b63 h GLN 274 CO -0.08 0.72 0.46 0.00 -1.93 0.00 0.00 178.83 177.99 1b63 h ALA 275 N 1.03 0.90 -0.46 3.38 0.00 -0.57 0.16 119.26 123.70 1b63 h ALA 275 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1b63 h ALA 275 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1b63 h ALA 275 CO -0.01 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.31 1b63 h GLU 277 N 0.80 -0.07 0.00 0.00 4.81 -0.04 0.66 114.58 120.74 1b63 h GLU 277 Ca 0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1b63 h GLU 277 Cb 0.78 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1b63 h GLU 277 CO 0.06 0.12 0.00 -0.44 -0.73 0.00 0.00 179.01 178.03 1b63 h ASP 278 N -0.26 0.00 0.00 1.04 5.19 -0.69 -3.12 116.42 118.57 1b63 h ASP 278 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1b63 h ASP 278 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1b63 h ASP 278 CO 0.01 0.00 -0.75 1.17 -3.12 0.00 0.00 179.24 176.55 1b63 n LYS 279 N -2.88 0.46 -0.41 3.56 0.00 -0.93 -4.97 118.16 112.99 1b63 n LYS 279 Ca -0.02 0.31 -0.22 0.00 0.00 0.00 0.00 58.31 58.39 1b63 n LYS 279 Cb 0.12 -1.46 0.20 0.00 0.00 0.00 0.00 35.03 33.89 1b63 n LYS 279 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1b63 n LEU 280 N -4.36 0.00 0.05 3.14 7.94 0.23 -4.98 117.00 119.01 1b63 n LEU 280 Ca -0.10 -0.73 -0.22 0.00 -1.11 0.00 0.00 56.01 53.85 1b63 n LEU 280 Cb 0.39 -0.73 -0.14 0.00 0.53 0.00 0.00 43.42 43.47 1b63 n LEU 280 CO 0.16 -2.22 -0.34 1.23 -1.11 0.00 0.00 177.39 175.10 1b63 h GLY 281 N -2.59 0.37 -0.22 -3.96 0.00 -1.83 -3.44 103.07 91.39 1b63 h GLY 281 Ca -0.29 -0.94 -0.68 0.00 0.00 0.00 0.00 47.33 45.42 1b63 h GLY 281 CO 0.18 0.82 -0.50 0.00 0.00 0.00 0.00 176.54 177.04 1b63 s ALA 282 N -2.50 4.20 -0.13 3.60 0.00 -1.26 -4.97 121.76 120.69 1b63 s ALA 282 Ca -0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 1b63 s ALA 282 Cb 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1b63 s ALA 282 CO 0.82 -0.02 0.15 0.34 0.00 0.00 0.00 175.76 177.05 1b63 s ASP 283 N -3.89 6.37 0.15 0.00 2.15 -1.26 -4.32 116.67 115.87 1b63 s ASP 283 Ca 0.02 0.45 -0.04 0.00 0.43 0.00 0.00 52.55 53.41 1b63 s ASP 283 Cb 0.00 -2.08 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 1b63 s ASP 283 CO 0.01 0.36 0.26 0.00 -0.17 0.00 0.00 175.17 175.64 1b63 n GLN 284 N 2.27 0.38 -3.06 4.34 10.64 -1.26 -5.09 117.38 125.60 1b63 n GLN 284 Ca -0.19 -0.96 -0.42 0.00 -1.83 0.00 0.00 57.00 53.60 1b63 n GLN 284 Cb 0.54 1.08 -0.06 0.00 -0.86 0.00 0.00 30.24 30.94 1b63 n GLN 284 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1b63 s GLN 285 N -2.14 3.56 0.90 2.61 -1.52 -1.26 -4.90 119.66 116.90 1b63 s GLN 285 Ca 0.08 -0.03 -0.12 0.00 -1.95 0.00 0.00 55.36 53.35 1b63 s GLN 285 Cb -0.01 -3.86 0.13 0.00 -0.22 0.00 0.00 33.01 29.04 1b63 s GLN 285 CO 0.06 -0.88 1.10 -1.25 -0.25 0.00 0.00 175.29 174.07 1b63 s PRO 286 N 2.89 1.27 -0.10 2.91 0.04 -1.26 -4.63 135.00 136.13 1b63 s PRO 286 Ca 0.26 0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1b63 s PRO 286 Cb -0.14 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1b63 s PRO 286 CO 0.17 -2.18 -0.24 0.00 0.04 0.00 0.00 177.00 174.79 1b63 s ALA 287 N -3.06 2.16 -0.04 8.56 0.00 -1.26 -4.55 121.76 123.58 1b63 s ALA 287 Ca 0.63 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1b63 s ALA 287 Cb -0.17 -0.80 0.11 0.00 0.00 0.00 0.00 23.12 22.27 1b63 s ALA 287 CO 0.56 0.30 0.94 -0.59 0.00 0.00 0.00 175.76 176.97 1b63 s PHE 288 N 0.30 -0.31 -0.31 0.00 -0.12 0.29 -1.06 117.98 116.76 1b63 s PHE 288 Ca -0.18 0.20 -0.03 0.00 -0.05 0.00 0.00 56.93 56.88 1b63 s PHE 288 Cb -0.18 0.53 0.11 0.00 -0.63 0.00 0.00 43.02 42.86 1b63 s PHE 288 CO 0.09 -0.49 0.16 0.08 -0.05 0.00 0.00 175.22 175.00 1b63 s VAL 289 N -2.97 0.05 0.14 -2.49 1.01 -0.33 -0.68 120.40 115.12 1b63 s VAL 289 Ca 0.06 -1.11 0.10 0.00 0.00 0.00 0.00 61.98 61.03 1b63 s VAL 289 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1b63 s VAL 289 CO -0.08 -0.81 -0.23 -0.76 0.00 0.00 0.00 175.10 173.22 1b63 s LEU 290 N 1.73 2.50 -0.15 3.92 1.43 0.00 -0.51 118.68 127.60 1b63 s LEU 290 Ca 0.12 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1b63 s LEU 290 Cb -0.18 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1b63 s LEU 290 CO -0.24 0.17 -0.09 -0.31 0.23 0.00 0.00 176.35 176.11 1b63 s TYR 291 N -1.22 1.89 -0.21 0.29 1.51 0.21 -1.39 117.35 118.43 1b63 s TYR 291 Ca 0.17 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 55.03 1b63 s TYR 291 Cb -0.10 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1b63 s TYR 291 CO 0.08 -0.63 0.08 -1.17 -1.11 0.00 0.00 175.55 172.81 1b63 s LEU 292 N 1.58 3.74 -0.13 -1.29 2.96 0.49 -1.20 118.68 124.83 1b63 s LEU 292 Ca 0.03 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1b63 s LEU 292 Cb -0.14 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1b63 s LEU 292 CO -0.09 0.09 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.31 1b63 s GLU 293 N 0.90 3.36 0.04 1.98 0.41 -0.48 -0.23 118.70 124.69 1b63 s GLU 293 Ca 0.04 -0.65 -0.13 0.00 -0.41 0.00 0.00 54.97 53.83 1b63 s GLU 293 Cb -0.14 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.56 1b63 s GLU 293 CO 0.03 0.27 0.28 -1.50 -0.49 0.00 0.00 175.26 173.84 1b63 s ILE 294 N 0.23 0.09 -0.04 -1.63 2.07 -1.26 -2.07 121.20 118.58 1b63 s ILE 294 Ca -0.07 -0.73 -0.33 0.00 -1.41 0.00 0.00 60.65 58.10 1b63 s ILE 294 Cb -0.15 -0.92 -0.12 0.00 0.13 0.00 0.00 42.46 41.40 1b63 s ILE 294 CO 0.05 -0.40 1.87 -0.67 -1.91 0.00 0.00 174.94 173.87 1b63 n ASP 295 N 0.62 3.54 -0.24 4.50 2.03 -1.26 -4.83 116.55 120.91 1b63 n ASP 295 Ca -0.19 0.97 0.31 0.00 0.52 0.00 0.00 54.79 56.40 1b63 n ASP 295 Cb 0.59 -1.40 0.72 0.00 -0.72 0.00 0.00 41.12 40.31 1b63 n ASP 295 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1b63 h PRO 296 N 9.07 0.02 0.00 -0.67 0.13 -1.90 0.52 132.00 139.18 1b63 h PRO 296 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1b63 h PRO 296 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1b63 h PRO 296 CO 0.94 0.02 0.00 0.45 -0.23 0.00 0.00 178.00 179.18 1b63 h HIS 297 N 0.02 0.00 -0.12 1.56 3.86 -1.88 -2.73 115.15 115.86 1b63 h HIS 297 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1b63 h HIS 297 Cb 1.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.38 1b63 h HIS 297 CO -0.00 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.83 1b63 n GLN 298 N -2.52 1.99 -3.81 2.45 1.13 0.18 -4.88 117.38 111.92 1b63 n GLN 298 Ca 0.01 -1.47 -0.14 0.00 -1.94 0.00 0.00 57.00 53.47 1b63 n GLN 298 Cb 0.22 -1.46 -0.15 0.00 0.11 0.00 0.00 30.24 28.97 1b63 n GLN 298 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1b63 s VAL 299 N -1.86 -0.03 -0.33 5.09 0.11 -1.03 -1.83 120.40 120.52 1b63 s VAL 299 Ca 0.34 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 1b63 s VAL 299 Cb 0.20 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.97 1b63 s VAL 299 CO 0.30 0.05 0.45 -0.62 -3.33 0.00 0.00 175.10 171.96 1b63 s ASP 300 N 0.59 6.28 0.00 3.54 -1.08 0.32 -4.91 116.67 121.42 1b63 s ASP 300 Ca -0.05 0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.17 1b63 s ASP 300 Cb -0.07 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 39.20 1b63 s ASP 300 CO -0.02 -0.39 0.98 0.52 0.52 0.00 0.00 175.17 176.78 1b63 n VAL 301 N 5.31 0.00 -2.57 1.11 0.31 -1.26 -2.00 118.33 119.22 1b63 n VAL 301 Ca -0.06 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 1b63 n VAL 301 Cb 0.49 1.28 0.01 0.00 -0.91 0.00 0.00 33.84 34.71 1b63 n VAL 301 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1b63 n ASN 302 N 0.35 6.48 0.00 4.52 4.05 -1.26 -4.40 115.26 125.01 1b63 n ASN 302 Ca 0.09 -3.33 0.00 0.00 0.45 0.00 0.00 54.58 51.78 1b63 n ASN 302 Cb 0.40 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.09 1b63 n ASN 302 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1b63 n VAL 303 N 1.71 0.00 -4.41 3.44 0.31 -1.26 -5.06 118.33 113.06 1b63 n VAL 303 Ca 0.40 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.53 1b63 n VAL 303 Cb 0.31 -0.62 -0.15 0.00 -0.91 0.00 0.00 33.84 32.47 1b63 n VAL 303 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1b63 s HIS 304 N -1.68 0.95 0.50 3.52 5.65 -1.26 -4.99 115.29 117.97 1b63 s HIS 304 Ca 0.00 -0.22 0.23 0.00 0.25 0.00 0.00 55.06 55.33 1b63 s HIS 304 Cb 0.00 -0.65 1.30 0.00 -1.18 0.00 0.00 32.58 32.05 1b63 s HIS 304 CO 0.00 -0.07 1.96 -1.00 -0.65 0.00 0.00 174.74 174.98 1b63 h PRO 305 N 6.20 0.12 -0.56 2.88 0.13 -1.94 0.17 132.00 139.01 1b63 h PRO 305 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1b63 h PRO 305 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1b63 h PRO 305 CO 0.49 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1b63 n ALA 306 N -2.61 2.39 -2.64 -0.56 0.00 -1.26 -4.93 120.51 110.90 1b63 n ALA 306 Ca 0.12 -1.15 -0.21 0.00 0.00 0.00 0.00 53.44 52.20 1b63 n ALA 306 Cb 0.63 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1b63 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1b63 n LYS 307 N 1.55 -2.96 0.00 0.00 4.01 0.60 -4.88 118.16 116.48 1b63 n LYS 307 Ca 0.22 0.97 0.12 0.00 -0.51 0.00 0.00 58.31 59.11 1b63 n LYS 307 Cb 0.61 -5.71 0.62 0.00 -0.51 0.00 0.00 35.03 30.04 1b63 n LYS 307 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1b63 n HIS 308 N -4.22 0.00 -3.93 2.13 8.25 -1.26 -4.83 115.22 111.36 1b63 n HIS 308 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 1b63 n HIS 308 Cb 0.66 -0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.43 1b63 n HIS 308 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1b63 s GLU 309 N -2.51 0.73 0.18 -0.41 2.02 -1.26 -4.36 118.70 113.09 1b63 s GLU 309 Ca 0.24 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 1b63 s GLU 309 Cb 0.16 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.65 1b63 s GLU 309 CO 0.36 -0.20 0.17 0.14 0.02 0.00 0.00 175.26 175.75 1b63 s VAL 310 N -3.56 0.03 -0.05 2.63 -7.23 -1.26 -4.44 120.40 106.52 1b63 s VAL 310 Ca 0.03 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1b63 s VAL 310 Cb 0.04 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.75 1b63 s VAL 310 CO -0.09 -0.16 0.08 -0.13 -0.31 0.00 0.00 175.10 174.49 1b63 s ARG 311 N -4.09 -0.04 0.04 4.82 0.52 -0.85 -4.97 118.95 114.38 1b63 s ARG 311 Ca 0.30 0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 55.69 1b63 s ARG 311 Cb 0.06 -0.38 -0.06 0.00 0.52 0.00 0.00 34.95 35.09 1b63 s ARG 311 CO 0.08 -0.28 0.57 -0.06 0.02 0.00 0.00 175.30 175.63 1b63 s PHE 312 N 1.87 3.75 0.01 -0.53 0.40 -1.26 -0.52 117.98 121.70 1b63 s PHE 312 Ca 0.00 1.22 -0.25 0.00 -0.60 0.00 0.00 56.93 57.30 1b63 s PHE 312 Cb -0.12 -2.53 -0.19 0.00 0.51 0.00 0.00 43.02 40.69 1b63 s PHE 312 CO -0.04 0.50 1.40 1.25 0.70 0.00 0.00 175.22 179.03 1b63 h HIS 313 N 5.00 -0.00 -2.85 0.36 -0.00 -1.73 -3.26 115.15 112.66 1b63 h HIS 313 Ca -0.48 -0.00 -0.80 0.00 -0.00 0.00 0.00 60.37 59.09 1b63 h HIS 313 Cb 1.21 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 28.35 1b63 h HIS 313 CO 0.67 0.35 0.86 1.04 -0.00 0.00 0.00 177.93 180.85 1b63 n GLN 314 N -4.92 4.28 0.14 5.26 6.02 -1.26 -4.87 117.38 122.03 1b63 n GLN 314 Ca -0.08 -4.45 -0.16 0.00 -0.01 0.00 0.00 57.00 52.30 1b63 n GLN 314 Cb 0.19 -2.56 -0.09 0.00 1.02 0.00 0.00 30.24 28.80 1b63 n GLN 314 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1b63 h SER 315 N 5.63 -1.39 -0.94 1.08 0.87 -1.96 -1.49 113.55 115.35 1b63 h SER 315 Ca 0.22 0.14 0.14 0.00 -1.23 0.00 0.00 61.79 61.06 1b63 h SER 315 Cb 0.65 0.51 -0.09 0.00 -0.44 0.00 0.00 62.40 63.03 1b63 h SER 315 CO 1.32 -0.55 0.56 0.03 -0.53 0.00 0.00 176.83 177.67 1b63 h ARG 316 N -0.75 0.81 0.71 2.24 3.08 -1.93 -0.96 114.38 117.57 1b63 h ARG 316 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1b63 h ARG 316 Cb 0.74 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1b63 h ARG 316 CO -0.23 0.53 -0.34 1.25 -1.07 0.00 0.00 179.97 180.11 1b63 h LEU 317 N 0.83 -0.81 -0.82 3.04 5.85 -1.87 -1.81 115.31 119.72 1b63 h LEU 317 Ca 0.49 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.34 1b63 h LEU 317 Cb 0.60 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 1b63 h LEU 317 CO -0.31 -0.50 0.44 0.58 -0.34 0.00 0.00 178.44 178.31 1b63 h VAL 318 N -1.07 0.82 -0.98 1.05 2.07 -0.96 0.48 116.25 117.64 1b63 h VAL 318 Ca -0.10 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1b63 h VAL 318 Cb 0.76 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1b63 h VAL 318 CO 0.16 0.13 0.62 -0.74 0.02 0.00 0.00 177.57 177.76 1b63 h HIS 319 N 0.69 1.26 -0.05 1.57 -0.00 -1.10 -1.79 115.15 115.75 1b63 h HIS 319 Ca 0.42 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.66 1b63 h HIS 319 Cb 0.50 -0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1b63 h HIS 319 CO -0.08 0.82 -0.63 0.22 -0.00 0.00 0.00 177.93 178.26 1b63 h ASP 320 N 1.34 0.22 0.07 3.26 1.82 -0.24 -1.64 116.42 121.25 1b63 h ASP 320 Ca 0.36 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1b63 h ASP 320 Cb -0.11 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.84 1b63 h ASP 320 CO -0.07 0.79 -0.03 0.15 -1.61 0.00 0.00 179.24 178.46 1b63 h PHE 321 N 0.14 -0.09 -0.50 0.28 3.57 -0.24 0.22 116.94 120.31 1b63 h PHE 321 Ca -0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1b63 h PHE 321 Cb 1.13 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1b63 h PHE 321 CO 0.02 -0.02 0.03 0.82 -2.23 0.00 0.00 178.31 176.93 1b63 h ILE 322 N -0.13 1.26 0.41 1.41 2.04 -1.33 0.23 117.51 121.40 1b63 h ILE 322 Ca -0.01 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1b63 h ILE 322 Cb 0.10 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1b63 h ILE 322 CO 0.02 0.36 -0.39 0.22 0.00 0.00 0.00 178.15 178.36 1b63 h TYR 323 N 0.73 -1.05 -0.43 1.37 3.20 -1.10 0.07 116.97 119.76 1b63 h TYR 323 Ca 0.15 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1b63 h TYR 323 Cb 0.47 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1b63 h TYR 323 CO 0.03 -0.54 0.23 1.96 -1.64 0.00 0.00 178.16 178.20 1b63 h GLN 324 N -0.81 0.45 -0.28 1.82 1.08 -0.91 0.15 115.11 116.61 1b63 h GLN 324 Ca -0.03 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1b63 h GLN 324 Cb 0.72 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 1b63 h GLN 324 CO -0.05 0.30 -0.11 0.78 -0.95 0.00 0.00 178.83 178.79 1b63 h GLY 325 N 0.46 0.14 0.62 3.46 0.00 -0.62 0.36 103.07 107.49 1b63 h GLY 325 Ca 0.18 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1b63 h GLY 325 CO -0.11 -0.14 -0.04 -2.08 0.00 0.00 0.00 176.54 174.17 1b63 h VAL 326 N -0.06 1.35 -0.84 4.60 2.07 -0.72 -3.08 116.25 119.57 1b63 h VAL 326 Ca 0.14 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1b63 h VAL 326 Cb 0.28 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1b63 h VAL 326 CO -0.33 0.31 0.54 0.25 0.02 0.00 0.00 177.57 178.37 1b63 h LEU 327 N -0.29 0.59 -0.40 2.57 5.85 -0.43 -1.74 115.31 121.46 1b63 h LEU 327 Ca 0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1b63 h LEU 327 Cb 0.51 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1b63 h LEU 327 CO 0.01 0.31 0.23 -1.28 -0.34 0.00 0.00 178.44 177.38 1b63 h SER 328 N 0.64 0.38 0.48 1.25 0.87 -0.20 -2.87 113.55 114.10 1b63 h SER 328 Ca 0.41 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.83 1b63 h SER 328 Cb 0.69 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1b63 h SER 328 CO -0.17 0.27 -0.65 0.58 -0.53 0.00 0.00 176.83 176.34 1b63 h VAL 329 N 0.48 1.42 0.00 2.23 2.07 -1.29 -2.91 116.25 118.25 1b63 h VAL 329 Ca 0.16 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1b63 h VAL 329 Cb 0.01 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1b63 h VAL 329 CO -0.08 0.62 0.00 0.18 0.02 0.00 0.00 177.57 178.31 1b63 n LEU 330 N -3.82 0.00 0.00 2.57 4.77 -0.86 -5.09 117.00 114.58 1b63 n LEU 330 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1b63 n LEU 330 Cb 0.64 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1b63 n LEU 330 CO 0.44 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.47