#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmd s ARG 12 N 0.00 3.35 0.23 5.31 0.52 -1.26 -4.86 118.95 122.24 1xmd s ARG 12 Ca 0.00 -0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 1xmd s ARG 12 Cb 0.00 -3.04 0.27 0.00 0.52 0.00 0.00 34.95 32.69 1xmd s ARG 12 CO 0.00 0.67 1.57 1.15 0.02 0.00 0.00 175.30 178.72 1xmd h THR 13 N 2.95 0.10 -0.67 0.02 2.02 -1.55 -2.43 112.91 113.35 1xmd h THR 13 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1xmd h THR 13 Cb 1.19 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xmd h THR 13 CO 0.67 0.00 0.00 0.49 0.37 0.00 0.00 175.52 177.05 1xmd n PHE 14 N -5.50 1.13 0.32 3.16 3.01 -1.26 -4.65 117.46 113.67 1xmd n PHE 14 Ca 0.10 -0.55 0.21 0.00 1.01 0.00 0.00 57.45 58.22 1xmd n PHE 14 Cb 0.40 -0.10 1.10 0.00 -0.01 0.00 0.00 39.48 40.88 1xmd n PHE 14 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1xmd h GLN 15 N 4.00 0.00 -0.01 -1.08 3.07 -1.85 -2.60 115.11 116.64 1xmd h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xmd h GLN 15 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1xmd h GLN 15 CO 0.09 0.00 -0.50 0.66 0.09 0.00 0.00 178.83 179.17 1xmd n TYR 16 N -3.15 0.00 -0.26 0.06 4.01 -1.26 -4.50 117.16 112.06 1xmd n TYR 16 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 1xmd n TYR 16 Cb 0.12 -0.04 0.20 0.00 -0.31 0.00 0.00 39.34 39.31 1xmd n TYR 16 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1xmd h GLN 17 N 1.69 0.29 0.00 -0.72 1.08 -1.81 0.22 115.11 115.86 1xmd h GLN 17 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1xmd h GLN 17 Cb 0.65 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1xmd h GLN 17 CO 0.00 0.19 0.00 -0.25 -0.95 0.00 0.00 178.83 177.82 1xmd n ASP 18 N -5.14 0.00 -0.00 1.46 8.00 -1.26 -2.91 116.55 116.70 1xmd n ASP 18 Ca 0.15 0.24 0.10 0.00 0.71 0.00 0.00 54.79 56.00 1xmd n ASP 18 Cb 0.49 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 1xmd n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xmd n SER 19 N -1.38 0.89 -4.77 -2.24 7.64 0.76 -4.99 113.62 109.53 1xmd n SER 19 Ca 0.06 -0.89 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 1xmd n SER 19 Cb 0.17 1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 64.45 1xmd n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xmd s LEU 20 N -3.13 4.40 0.62 -3.43 1.43 -1.09 -5.00 118.68 112.47 1xmd s LEU 20 Ca 0.06 2.78 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 1xmd s LEU 20 Cb 0.15 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1xmd s LEU 20 CO 0.85 -0.63 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 1xmd s PRO 21 N -1.77 3.08 0.51 1.29 0.04 -1.26 -4.53 135.00 132.36 1xmd s PRO 21 Ca 0.51 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1xmd s PRO 21 Cb -0.42 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1xmd s PRO 21 CO 0.55 -1.02 1.11 -1.12 0.04 0.00 0.00 177.00 176.55 1xmd s SER 22 N -2.51 6.00 0.13 6.66 0.01 -1.26 -1.09 113.70 121.64 1xmd s SER 22 Ca 0.67 2.12 -0.31 0.00 1.31 0.00 0.00 55.95 59.74 1xmd s SER 22 Cb -0.19 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.36 1xmd s SER 22 CO 0.37 -1.03 1.69 -0.22 0.41 0.00 0.00 173.24 174.46 1xmd s LEU 23 N -3.55 4.38 0.63 2.44 2.96 0.65 -4.83 118.68 121.36 1xmd s LEU 23 Ca 0.69 2.65 -0.09 0.00 -0.22 0.00 0.00 54.13 57.16 1xmd s LEU 23 Cb -0.22 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 1xmd s LEU 23 CO 0.26 -0.91 1.00 -2.16 -1.32 0.00 0.00 176.35 173.22 1xmd s PRO 24 N 2.02 3.16 -0.23 0.98 0.04 -1.26 -4.65 135.00 135.06 1xmd s PRO 24 Ca 0.75 0.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 1xmd s PRO 24 Cb -0.44 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1xmd s PRO 24 CO 0.33 -0.73 0.05 0.08 0.04 0.00 0.00 177.00 176.77 1xmd s VAL 25 N -3.16 4.21 1.01 -0.36 1.01 -1.26 -5.00 120.40 116.85 1xmd s VAL 25 Ca 0.55 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1xmd s VAL 25 Cb -0.11 -2.95 0.20 0.00 0.00 0.00 0.00 36.38 33.52 1xmd s VAL 25 CO 0.50 0.37 1.08 -2.84 0.00 0.00 0.00 175.10 174.21 1xmd s PRO 26 N 1.41 0.32 0.12 2.72 0.02 -1.26 -4.98 135.00 133.35 1xmd s PRO 26 Ca 0.05 0.69 -0.30 0.00 0.02 0.00 0.00 61.00 61.46 1xmd s PRO 26 Cb -0.15 -1.71 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1xmd s PRO 26 CO 0.03 -2.85 1.14 0.00 -0.33 0.00 0.00 177.00 174.99 1xmd s ALA 27 N -2.84 3.37 0.17 -1.55 0.00 -1.26 -4.94 121.76 114.71 1xmd s ALA 27 Ca 0.66 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1xmd s ALA 27 Cb -0.20 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.64 1xmd s ALA 27 CO 0.59 -0.32 1.78 1.25 0.00 0.00 0.00 175.76 179.07 1xmd h LEU 28 N 5.87 0.34 -0.66 0.00 5.85 -1.99 -1.59 115.31 123.12 1xmd h LEU 28 Ca -0.43 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1xmd h LEU 28 Cb 1.21 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1xmd h LEU 28 CO 0.76 0.24 0.42 -0.08 -0.34 0.00 0.00 178.44 179.44 1xmd h GLU 29 N 0.47 0.82 -0.30 1.25 4.81 -1.97 -1.48 114.58 118.18 1xmd h GLU 29 Ca 0.21 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1xmd h GLU 29 Cb 0.12 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xmd h GLU 29 CO -0.15 0.54 -0.12 0.93 -0.73 0.00 0.00 179.01 179.48 1xmd h GLU 30 N 0.84 0.61 -0.65 1.92 5.08 -1.89 -1.76 114.58 118.73 1xmd h GLU 30 Ca 0.26 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1xmd h GLU 30 Cb -0.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1xmd h GLU 30 CO -0.09 0.83 0.41 0.77 -1.00 0.00 0.00 179.01 179.94 1xmd h SER 31 N 0.36 0.69 0.20 1.42 0.02 -1.11 -0.55 113.55 114.59 1xmd h SER 31 Ca 0.07 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1xmd h SER 31 Cb 0.64 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1xmd h SER 31 CO 0.04 0.49 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.72 1xmd h LEU 32 N 0.82 0.30 -0.31 5.07 3.38 -1.22 -0.95 115.31 122.40 1xmd h LEU 32 Ca 0.26 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1xmd h LEU 32 Cb -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xmd h LEU 32 CO -0.09 0.70 -0.52 0.11 0.09 0.00 0.00 178.44 178.73 1xmd h LYS 33 N 0.24 0.89 -0.55 1.13 1.79 -0.97 -1.96 116.57 117.14 1xmd h LYS 33 Ca 0.02 -0.55 -0.08 0.00 -2.18 0.00 0.00 60.65 57.86 1xmd h LYS 33 Cb 0.86 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1xmd h LYS 33 CO 0.07 1.19 0.05 0.87 -1.08 0.00 0.00 179.45 180.55 1xmd h LYS 34 N 0.69 0.94 -0.08 3.15 1.57 -0.94 -1.87 116.57 120.04 1xmd h LYS 34 Ca 0.02 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1xmd h LYS 34 Cb 1.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xmd h LYS 34 CO 0.12 0.92 0.04 -0.92 -0.57 0.00 0.00 179.45 179.04 1xmd h TYR 35 N 0.82 0.07 -0.70 -1.35 5.03 -1.10 -0.79 116.97 118.95 1xmd h TYR 35 Ca 0.16 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.52 1xmd h TYR 35 Cb 0.47 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.68 1xmd h TYR 35 CO 0.03 0.04 0.42 1.25 -1.32 0.00 0.00 178.16 178.58 1xmd h LEU 36 N 0.08 0.65 -1.52 2.82 5.85 -1.27 0.30 115.31 122.23 1xmd h LEU 36 Ca 0.03 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1xmd h LEU 36 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1xmd h LEU 36 CO -0.02 0.43 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.22 1xmd h GLU 37 N 0.79 0.05 0.00 1.25 4.57 -1.03 -2.85 114.58 117.36 1xmd h GLU 37 Ca 0.30 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1xmd h GLU 37 Cb 0.12 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1xmd h GLU 37 CO -0.15 0.26 -0.03 0.66 -1.18 0.00 0.00 179.01 178.57 1xmd h SER 38 N 0.04 0.00 1.21 1.04 4.64 0.55 -3.19 113.55 117.84 1xmd h SER 38 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xmd h SER 38 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1xmd h SER 38 CO 0.03 0.03 -0.63 -0.37 -0.87 0.00 0.00 176.83 175.01 1xmd h VAL 39 N 0.00 0.00 -0.94 0.95 -1.51 -1.18 -3.39 116.25 110.18 1xmd h VAL 39 Ca -0.00 -0.84 0.27 0.00 -1.23 0.00 0.00 66.70 64.90 1xmd h VAL 39 Cb 0.83 1.49 -0.14 0.00 -2.13 0.00 0.00 31.29 31.34 1xmd h VAL 39 CO 0.00 0.00 0.41 0.11 -1.23 0.00 0.00 177.57 176.86 1xmd h LYS 40 N 0.00 0.30 0.00 5.19 1.57 -1.56 -0.05 116.57 122.01 1xmd h LYS 40 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xmd h LYS 40 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1xmd h LYS 40 CO 0.00 0.20 0.00 -1.35 -0.57 0.00 0.00 179.45 177.73 1xmd h PRO 41 N 0.31 0.00 -0.15 3.15 0.11 -1.82 -3.03 132.00 130.58 1xmd h PRO 41 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1xmd h PRO 41 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1xmd h PRO 41 CO -0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.37 1xmd n PHE 42 N -2.42 0.19 -4.41 0.65 3.72 -0.05 -4.88 117.46 110.26 1xmd n PHE 42 Ca 0.01 -0.23 -0.28 0.00 -0.05 0.00 0.00 57.45 56.90 1xmd n PHE 42 Cb 0.18 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.58 1xmd n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xmd s ALA 43 N -0.89 2.48 0.51 4.37 0.00 -1.11 -5.04 121.76 122.08 1xmd s ALA 43 Ca 0.15 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.60 1xmd s ALA 43 Cb 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1xmd s ALA 43 CO 0.13 0.47 0.70 0.54 0.00 0.00 0.00 175.76 177.60 1xmd s ASN 44 N -2.45 5.33 0.18 0.00 2.20 -1.26 -4.87 114.94 114.06 1xmd s ASN 44 Ca 0.18 -0.44 -0.23 0.00 -0.94 0.00 0.00 52.86 51.43 1xmd s ASN 44 Cb -0.09 -0.41 0.07 0.00 -2.00 0.00 0.00 41.25 38.83 1xmd s ASN 44 CO 0.08 -1.08 1.58 -0.33 -2.94 0.00 0.00 177.10 174.41 1xmd h GLU 45 N 0.31 -0.20 -0.41 3.55 5.08 -1.99 -1.33 114.58 119.58 1xmd h GLU 45 Ca -0.38 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1xmd h GLU 45 Cb 1.28 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1xmd h GLU 45 CO 0.45 -0.13 0.18 -0.44 -1.00 0.00 0.00 179.01 178.06 1xmd h ASP 46 N -0.21 0.55 -0.72 1.42 3.32 -2.00 -1.92 116.42 116.87 1xmd h ASP 46 Ca 0.20 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1xmd h ASP 46 Cb 0.56 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1xmd h ASP 46 CO -0.66 0.54 0.40 -0.33 -1.72 0.00 0.00 179.24 177.47 1xmd h GLU 47 N 0.52 1.00 -0.36 3.56 5.08 -1.88 -1.85 114.58 120.65 1xmd h GLU 47 Ca 0.14 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1xmd h GLU 47 Cb 0.15 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xmd h GLU 47 CO -0.01 0.74 0.14 -0.92 -1.00 0.00 0.00 179.01 177.96 1xmd h TYR 48 N 0.99 0.56 -0.89 4.33 3.20 -1.08 -1.68 116.97 122.39 1xmd h TYR 48 Ca 0.25 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1xmd h TYR 48 Cb 0.03 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1xmd h TYR 48 CO -0.00 0.52 0.56 0.87 -1.64 0.00 0.00 178.16 178.46 1xmd h LYS 49 N 0.44 0.99 -0.53 1.82 1.79 -1.10 -0.56 116.57 119.42 1xmd h LYS 49 Ca 0.12 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xmd h LYS 49 Cb 0.20 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1xmd h LYS 49 CO -0.01 0.65 0.32 -0.22 -1.08 0.00 0.00 179.45 179.11 1xmd h LYS 50 N 1.02 0.71 -0.54 3.15 3.64 -0.89 -2.48 116.57 121.19 1xmd h LYS 50 Ca 0.39 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1xmd h LYS 50 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1xmd h LYS 50 CO -0.17 0.52 0.01 1.15 -2.27 0.00 0.00 179.45 178.68 1xmd h THR 51 N 0.70 1.26 -0.55 1.00 2.02 -0.55 -1.76 112.91 115.04 1xmd h THR 51 Ca 0.19 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.36 1xmd h THR 51 Cb -0.01 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 1xmd h THR 51 CO -0.04 0.39 0.18 -0.33 0.37 0.00 0.00 175.52 176.10 1xmd h GLU 52 N 0.83 0.34 -0.29 6.66 5.08 -0.92 0.42 114.58 126.69 1xmd h GLU 52 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xmd h GLU 52 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1xmd h GLU 52 CO 0.03 0.23 0.14 0.93 -1.00 0.00 0.00 179.01 179.33 1xmd h GLU 53 N 0.35 0.43 -0.48 2.33 5.08 -1.20 0.11 114.58 121.19 1xmd h GLU 53 Ca 0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xmd h GLU 53 Cb 0.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xmd h GLU 53 CO -0.30 0.41 0.31 0.82 -1.00 0.00 0.00 179.01 179.26 1xmd h ILE 54 N 0.34 1.14 -0.38 3.13 2.04 -0.55 -1.07 117.51 122.16 1xmd h ILE 54 Ca 0.10 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1xmd h ILE 54 Cb 0.13 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1xmd h ILE 54 CO -0.01 0.14 -0.02 0.58 0.00 0.00 0.00 178.15 178.84 1xmd h VAL 55 N 0.65 1.26 -0.57 1.67 2.07 0.02 -0.78 116.25 120.58 1xmd h VAL 55 Ca 0.18 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1xmd h VAL 55 Cb -0.04 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1xmd h VAL 55 CO -0.04 0.34 0.20 -0.61 0.02 0.00 0.00 177.57 177.48 1xmd h GLN 56 N 0.50 0.87 -0.68 1.57 4.15 -0.63 0.36 115.11 121.25 1xmd h GLN 56 Ca 0.11 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1xmd h GLN 56 Cb 0.49 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1xmd h GLN 56 CO 0.02 0.78 0.24 -0.22 -1.93 0.00 0.00 178.83 177.73 1xmd h LYS 57 N 0.79 1.02 -0.26 1.69 3.64 -1.11 -1.44 116.57 120.90 1xmd h LYS 57 Ca 0.19 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xmd h LYS 57 Cb 0.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1xmd h LYS 57 CO -0.01 0.85 0.01 0.35 -2.27 0.00 0.00 179.45 178.38 1xmd h PHE 58 N 1.00 0.49 -0.90 1.91 3.57 -0.71 -0.30 116.94 121.98 1xmd h PHE 58 Ca 0.23 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1xmd h PHE 58 Cb 0.23 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1xmd h PHE 58 CO 0.02 0.60 0.50 0.37 -2.23 0.00 0.00 178.31 177.57 1xmd h GLN 59 N 0.23 1.26 0.00 1.11 4.15 -0.61 0.70 115.11 121.95 1xmd h GLN 59 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1xmd h GLN 59 Cb 0.40 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1xmd h GLN 59 CO 0.01 0.92 -0.56 0.39 -1.93 0.00 0.00 178.83 177.66 1xmd n GLU 60 N -4.34 0.17 0.00 1.69 1.02 -0.57 -3.82 120.64 114.79 1xmd n GLU 60 Ca 0.10 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1xmd n GLU 60 Cb 0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1xmd n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmd n GLY 61 N 1.41 1.63 0.38 0.62 0.00 -0.13 -4.84 105.19 104.26 1xmd n GLY 61 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1xmd n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmd h ALA 62 N 0.93 1.91 -0.62 4.61 0.00 -1.75 -1.42 119.26 122.93 1xmd h ALA 62 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xmd h ALA 62 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xmd h ALA 62 CO 0.00 -0.17 0.20 0.78 0.00 0.00 0.00 179.25 180.06 1xmd h GLY 63 N 0.63 0.99 1.00 0.00 0.00 -1.14 -0.97 103.07 103.58 1xmd h GLY 63 Ca 0.47 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1xmd h GLY 63 CO -0.22 0.51 0.26 1.70 0.00 0.00 0.00 176.54 178.80 1xmd h LYS 64 N 0.90 0.91 -0.47 4.80 1.63 -1.07 -0.56 116.57 122.70 1xmd h LYS 64 Ca 0.20 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1xmd h LYS 64 Cb 0.24 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1xmd h LYS 64 CO -0.01 0.75 0.09 0.00 -3.45 0.00 0.00 179.45 176.83 1xmd h ARG 65 N 0.85 0.77 -0.75 1.90 3.08 -1.25 -0.95 114.38 118.04 1xmd h ARG 65 Ca 0.21 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1xmd h ARG 65 Cb 0.17 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1xmd h ARG 65 CO -0.02 0.78 0.28 -0.07 -1.07 0.00 0.00 179.97 179.86 1xmd h LEU 66 N 0.65 1.04 -0.57 3.04 3.38 -0.95 -2.11 115.31 119.78 1xmd h LEU 66 Ca 0.15 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1xmd h LEU 66 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xmd h LEU 66 CO 0.01 0.94 0.05 -0.74 0.09 0.00 0.00 178.44 178.78 1xmd h HIS 67 N 1.09 1.05 -0.81 1.13 2.76 -0.82 -1.33 115.15 118.22 1xmd h HIS 67 Ca 0.25 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1xmd h HIS 67 Cb 0.24 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 1xmd h HIS 67 CO 0.02 0.93 0.53 1.96 -1.30 0.00 0.00 177.93 180.07 1xmd h GLN 68 N 0.87 1.07 -0.06 5.26 4.20 -0.93 0.21 115.11 125.74 1xmd h GLN 68 Ca 0.17 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 1xmd h GLN 68 Cb 0.48 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xmd h GLN 68 CO 0.02 0.71 -0.42 0.87 -0.67 0.00 0.00 178.83 179.35 1xmd h LYS 69 N 1.10 0.13 -0.35 1.46 1.79 -0.93 -1.58 116.57 118.19 1xmd h LYS 69 Ca 0.30 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.57 1xmd h LYS 69 Cb -0.12 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1xmd h LYS 69 CO -0.06 0.53 -0.30 1.25 -1.08 0.00 0.00 179.45 179.79 1xmd h LEU 70 N 0.11 0.87 -0.82 2.94 5.85 0.06 -0.63 115.31 123.68 1xmd h LEU 70 Ca 0.01 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1xmd h LEU 70 Cb 0.79 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1xmd h LEU 70 CO 0.06 1.14 0.54 -0.07 -0.34 0.00 0.00 178.44 179.77 1xmd h LEU 71 N 0.61 0.93 0.02 2.25 3.38 -0.74 0.03 115.31 121.78 1xmd h LEU 71 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xmd h LEU 71 Cb 0.88 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1xmd h LEU 71 CO 0.08 0.67 -0.12 -0.08 0.09 0.00 0.00 178.44 179.08 1xmd h GLU 72 N 1.10 -0.21 -0.76 1.13 4.57 -1.04 -2.23 114.58 117.14 1xmd h GLU 72 Ca 0.30 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 1xmd h GLU 72 Cb -0.11 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 1xmd h GLU 72 CO -0.07 -0.14 0.46 -0.09 -1.18 0.00 0.00 179.01 177.99 1xmd h ARG 73 N -0.21 0.84 0.00 1.92 2.43 -0.57 -1.93 114.38 116.85 1xmd h ARG 73 Ca 0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1xmd h ARG 73 Cb 0.26 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1xmd h ARG 73 CO -0.11 0.55 -0.09 0.00 -1.51 0.00 0.00 179.97 178.81 1xmd h ALA 74 N 1.36 1.34 -0.92 2.80 0.00 -0.62 -2.90 119.26 120.32 1xmd h ALA 74 Ca 0.33 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1xmd h ALA 74 Cb 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1xmd h ALA 74 CO -0.16 0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.76 1xmd h ARG 75 N 0.00 0.86 -0.92 0.00 3.08 -0.76 -2.21 114.38 114.43 1xmd h ARG 75 Ca -0.00 -0.05 -0.41 0.00 0.07 0.00 0.00 59.98 59.58 1xmd h ARG 75 Cb 0.26 -0.19 -0.25 0.00 0.08 0.00 0.00 29.97 29.87 1xmd h ARG 75 CO 0.01 0.57 0.53 0.41 -1.07 0.00 0.00 179.97 180.42 1xmd n GLY 76 N -1.33 4.18 3.15 0.04 0.00 -1.09 -4.94 105.19 105.19 1xmd n GLY 76 Ca 0.16 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1xmd n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmd s LYS 77 N -3.16 0.29 0.52 1.61 1.02 -0.83 -5.00 119.74 114.19 1xmd s LYS 77 Ca 0.56 0.57 0.31 0.00 0.02 0.00 0.00 55.97 57.42 1xmd s LYS 77 Cb 0.46 -0.02 1.14 0.00 -0.52 0.00 0.00 37.83 38.89 1xmd s LYS 77 CO 0.12 -0.13 1.90 0.00 -0.92 0.00 0.00 175.35 176.32 1xmd h ARG 78 N 6.78 0.00 -1.85 1.68 3.08 -1.92 -3.38 114.38 118.77 1xmd h ARG 78 Ca -0.36 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.43 1xmd h ARG 78 Cb 1.17 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.92 1xmd h ARG 78 CO 0.34 0.02 -0.59 1.21 -1.07 0.00 0.00 179.97 179.88 1xmd s ASN 79 N -5.84 0.84 0.57 7.04 3.84 -1.26 -0.25 114.94 119.89 1xmd s ASN 79 Ca 0.02 -0.72 0.36 0.00 0.21 0.00 0.00 52.86 52.73 1xmd s ASN 79 Cb 0.08 0.86 1.62 0.00 -0.55 0.00 0.00 41.25 43.27 1xmd s ASN 79 CO 0.58 -0.34 2.08 4.11 -2.79 0.00 0.00 177.10 180.73 1xmd h TRP 80 N 7.96 0.00 0.02 0.43 5.08 -1.83 -3.24 115.95 124.38 1xmd h TRP 80 Ca -0.07 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.59 1xmd h TRP 80 Cb 1.10 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.21 1xmd h TRP 80 CO 0.28 0.01 -1.84 -0.11 -1.28 0.00 0.00 178.44 175.50 1xmd n LEU 81 N -3.13 1.15 -0.25 0.11 7.94 -1.26 -4.72 117.00 116.84 1xmd n LEU 81 Ca -0.00 0.33 -0.07 0.00 -1.11 0.00 0.00 56.01 55.16 1xmd n LEU 81 Cb 0.25 -0.05 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 1xmd n LEU 81 CO 0.26 0.49 0.38 1.21 -1.11 0.00 0.00 177.39 178.62 1xmd n GLU 82 N -3.10 -0.27 -0.10 1.96 2.13 -1.22 -0.98 120.64 119.06 1xmd n GLU 82 Ca -0.22 1.09 -0.10 0.00 0.66 0.00 0.00 57.16 58.60 1xmd n GLU 82 Cb 1.06 -1.62 -0.03 0.00 0.27 0.00 0.00 31.44 31.13 1xmd n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xmd h GLU 83 N 0.00 0.45 -0.31 5.31 4.81 -1.84 -2.30 114.58 120.69 1xmd h GLU 83 Ca 0.10 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1xmd h GLU 83 Cb 0.25 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1xmd h GLU 83 CO -0.57 0.47 0.10 -1.49 -0.73 0.00 0.00 179.01 176.80 1xmd h TRP 84 N 0.33 0.18 0.16 0.92 6.55 -1.69 -2.03 115.95 120.37 1xmd h TRP 84 Ca 0.10 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 1xmd h TRP 84 Cb 0.19 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 1xmd h TRP 84 CO -0.00 0.08 -0.08 2.35 -1.05 0.00 0.00 178.44 179.74 1xmd h TRP 85 N 0.24 -0.19 -0.62 0.49 2.91 -1.00 0.20 115.95 117.98 1xmd h TRP 85 Ca 0.14 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.26 1xmd h TRP 85 Cb 0.12 0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 28.75 1xmd h TRP 85 CO -0.14 -0.10 0.19 1.25 -1.03 0.00 0.00 178.44 178.60 1xmd h LEU 86 N -0.23 0.12 0.28 0.65 5.85 -1.29 0.30 115.31 120.99 1xmd h LEU 86 Ca -0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xmd h LEU 86 Cb 0.18 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xmd h LEU 86 CO 0.04 0.07 -0.13 0.78 -0.34 0.00 0.00 178.44 178.85 1xmd h ASN 87 N 0.34 -0.32 -0.44 1.25 -0.26 -1.11 -1.22 115.58 113.82 1xmd h ASN 87 Ca 0.32 -0.19 -0.11 0.00 -0.56 0.00 0.00 56.30 55.76 1xmd h ASN 87 Cb 0.45 0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1xmd h ASN 87 CO -0.36 0.16 -0.15 0.58 -1.06 0.00 0.00 177.43 176.60 1xmd h VAL 88 N -0.96 1.27 0.00 2.81 2.07 -0.55 0.98 116.25 121.87 1xmd h VAL 88 Ca -0.04 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1xmd h VAL 88 Cb 0.49 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1xmd h VAL 88 CO 0.06 0.44 -0.55 0.00 0.02 0.00 0.00 177.57 177.55 1xmd h ALA 89 N 1.00 0.75 0.00 1.67 0.00 -1.09 -3.43 119.26 118.17 1xmd h ALA 89 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xmd h ALA 89 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xmd h ALA 89 CO 0.05 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.28 1xmd n TYR 90 N -3.02 -0.89 0.11 0.00 4.01 -0.95 -4.86 117.16 111.54 1xmd n TYR 90 Ca 0.01 0.16 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 1xmd n TYR 90 Cb 0.64 0.37 0.48 0.00 -0.31 0.00 0.00 39.34 40.52 1xmd n TYR 90 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1xmd h LEU 91 N 0.00 0.27 0.00 7.72 3.38 -1.04 -2.74 115.31 122.89 1xmd h LEU 91 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xmd h LEU 91 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xmd h LEU 91 CO 0.00 0.25 -0.56 0.44 0.09 0.00 0.00 178.44 178.66 1xmd h ASP 92 N 0.31 0.00 -2.96 -0.43 3.32 -1.05 -0.83 116.42 114.77 1xmd h ASP 92 Ca 0.08 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.60 1xmd h ASP 92 Cb 0.06 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.68 1xmd h ASP 92 CO -0.01 0.32 0.93 -0.69 -1.72 0.00 0.00 179.24 178.07 1xmd s VAL 93 N -3.07 2.17 -0.16 -1.35 1.01 -1.04 -4.84 120.40 113.12 1xmd s VAL 93 Ca 0.03 0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.36 1xmd s VAL 93 Cb 0.07 -3.08 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 1xmd s VAL 93 CO 0.74 0.01 0.83 0.54 0.00 0.00 0.00 175.10 177.22 1xmd n ARG 94 N 3.26 0.62 -1.12 2.72 5.12 -1.26 -4.82 116.66 121.18 1xmd n ARG 94 Ca 0.12 0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.76 1xmd n ARG 94 Cb 0.37 -1.73 0.12 0.00 -1.16 0.00 0.00 32.46 30.06 1xmd n ARG 94 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1xmd s ILE 95 N -3.34 2.45 -0.09 0.55 -4.36 -1.26 -1.30 121.20 113.86 1xmd s ILE 95 Ca -0.03 0.17 -0.32 0.00 -0.26 0.00 0.00 60.65 60.21 1xmd s ILE 95 Cb 0.11 -2.50 -0.10 0.00 1.25 0.00 0.00 42.46 41.21 1xmd s ILE 95 CO 0.83 -0.16 1.99 -2.65 0.24 0.00 0.00 174.94 175.18 1xmd n PRO 96 N -3.46 2.29 0.09 0.37 -0.02 -1.26 -4.29 135.00 128.73 1xmd n PRO 96 Ca 0.12 0.81 -0.03 0.00 -2.02 0.00 0.00 63.50 62.38 1xmd n PRO 96 Cb 0.52 -2.84 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 1xmd n PRO 96 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xmd h SER 97 N 10.74 0.00 -0.11 2.55 4.64 -1.85 -3.00 113.55 126.53 1xmd h SER 97 Ca -0.46 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 1xmd h SER 97 Cb 1.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 1xmd h SER 97 CO 0.95 0.76 -0.32 -0.61 -0.87 0.00 0.00 176.83 176.75 1xmd h GLN 98 N 0.00 -0.39 0.16 4.77 4.15 -1.83 0.49 115.11 122.45 1xmd h GLN 98 Ca -0.02 0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 1xmd h GLN 98 Cb 1.60 0.09 0.02 0.00 0.21 0.00 0.00 27.48 29.40 1xmd h GLN 98 CO 0.10 -0.26 -0.93 1.25 -1.93 0.00 0.00 178.83 177.05 1xmd h LEU 99 N -0.41 0.52 0.00 -2.39 5.85 -1.87 -3.27 115.31 113.74 1xmd h LEU 99 Ca 0.09 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.86 1xmd h LEU 99 Cb 0.54 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xmd h LEU 99 CO -0.33 1.45 -0.29 0.59 -0.34 0.00 0.00 178.44 179.52 1xmd n ASN 100 N -4.06 0.44 0.00 1.25 3.02 -1.13 -4.54 115.26 110.24 1xmd n ASN 100 Ca -0.15 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1xmd n ASN 100 Cb 0.87 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1xmd n ASN 100 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xmd n VAL 101 N -1.76 0.00 -1.70 2.41 0.31 -0.01 -4.66 118.33 112.92 1xmd n VAL 101 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 1xmd n VAL 101 Cb 0.38 -0.30 0.01 0.00 -0.91 0.00 0.00 33.84 33.01 1xmd n VAL 101 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1xmd n ASN 102 N -1.73 2.62 -4.85 4.52 5.03 -0.22 -4.47 115.26 116.16 1xmd n ASN 102 Ca 0.00 1.14 -0.32 0.00 0.87 0.00 0.00 54.58 56.27 1xmd n ASN 102 Cb 0.23 -1.50 -0.06 0.00 -1.02 0.00 0.00 39.78 37.44 1xmd n ASN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1xmd s PHE 103 N -1.17 3.41 0.24 3.10 -0.12 -0.37 -4.74 117.98 118.33 1xmd s PHE 103 Ca 0.59 0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.74 1xmd s PHE 103 Cb -0.53 -1.76 -0.05 0.00 -0.63 0.00 0.00 43.02 40.05 1xmd s PHE 103 CO 0.59 0.59 0.07 0.14 -0.05 0.00 0.00 175.22 176.56 1xmd s VAL 104 N -1.32 0.63 -0.27 -2.49 -7.23 -0.76 -0.36 120.40 108.61 1xmd s VAL 104 Ca 0.27 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 1xmd s VAL 104 Cb -0.12 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.48 1xmd s VAL 104 CO 0.19 -0.12 1.31 -0.83 -0.31 0.00 0.00 175.10 175.34 1xmd s GLY 105 N -3.29 0.04 0.33 2.32 0.00 -0.82 -0.93 107.32 104.98 1xmd s GLY 105 Ca 0.34 2.72 -0.19 0.00 0.00 0.00 0.00 44.72 47.59 1xmd s GLY 105 CO 0.11 1.09 0.83 -4.14 0.00 0.00 0.00 173.10 170.99 1xmd s PRO 106 N -1.05 4.20 -0.06 2.90 0.02 -1.25 -0.93 135.00 138.85 1xmd s PRO 106 Ca 0.08 0.94 -0.30 0.00 0.02 0.00 0.00 61.00 61.73 1xmd s PRO 106 Cb -0.01 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 31.99 1xmd s PRO 106 CO -0.07 0.17 1.03 0.00 -0.33 0.00 0.00 177.00 177.80 1xmd n PRO 108 N 4.62 0.56 0.21 0.00 -0.04 -1.26 -4.28 135.00 134.81 1xmd n PRO 108 Ca 0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1xmd n PRO 108 Cb 0.49 -1.25 0.38 0.00 -0.04 0.00 0.00 33.50 33.08 1xmd n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xmd h HIS 109 N 0.68 0.00 0.00 0.54 3.86 -1.91 -3.05 115.15 115.27 1xmd h HIS 109 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xmd h HIS 109 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1xmd h HIS 109 CO 0.00 0.00 0.00 1.97 0.86 0.00 0.00 177.93 180.76 1xmd n PHE 110 N -2.92 0.00 0.22 2.45 1.16 -1.19 -1.77 117.46 115.42 1xmd n PHE 110 Ca 0.03 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.73 1xmd n PHE 110 Cb 0.43 -0.08 0.21 0.00 -1.61 0.00 0.00 39.48 38.42 1xmd n PHE 110 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1xmd h GLU 111 N 0.00 0.00 0.00 3.97 5.08 -1.81 -3.39 114.58 118.43 1xmd h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xmd h GLU 111 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xmd h GLU 111 CO 0.00 0.03 0.00 -2.39 -1.00 0.00 0.00 179.01 175.65 1xmd n HIS 112 N -3.11 0.00 0.30 4.33 1.44 -0.99 -4.96 115.22 112.23 1xmd n HIS 112 Ca 0.04 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.93 1xmd n HIS 112 Cb 0.52 0.00 0.90 0.00 0.12 0.00 0.00 29.99 31.53 1xmd n HIS 112 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1xmd h TYR 113 N 0.00 0.00 -2.22 -1.40 0.05 -1.90 -3.34 116.97 108.16 1xmd h TYR 113 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 1xmd h TYR 113 Cb 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 37.32 1xmd h TYR 113 CO 0.00 0.03 -0.61 0.91 -1.05 0.00 0.00 178.16 177.44 1xmd n TRP 114 N -3.24 3.75 -1.40 4.88 8.01 -0.73 -4.92 117.44 123.80 1xmd n TRP 114 Ca -0.01 -4.10 -0.30 0.00 -1.31 0.00 0.00 57.50 51.78 1xmd n TRP 114 Cb 0.20 -0.54 0.11 0.00 -2.01 0.00 0.00 31.31 29.08 1xmd n TRP 114 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1xmd s PRO 115 N -2.80 1.72 0.11 -0.99 0.04 -1.26 -3.14 135.00 128.68 1xmd s PRO 115 Ca 0.43 0.73 -0.34 0.00 0.04 0.00 0.00 61.00 61.85 1xmd s PRO 115 Cb 0.19 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.73 1xmd s PRO 115 CO -0.05 -1.90 1.60 0.00 0.04 0.00 0.00 177.00 176.69 1xmd n ALA 116 N -3.63 1.05 -3.64 8.56 0.00 -1.26 -4.92 120.51 116.66 1xmd n ALA 116 Ca 0.07 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 1xmd n ALA 116 Cb 0.56 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1xmd n ALA 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xmd s ARG 117 N 1.39 0.60 0.65 0.00 3.52 0.11 -5.03 118.95 120.18 1xmd s ARG 117 Ca 0.82 1.39 -0.18 0.00 -0.13 0.00 0.00 55.73 57.63 1xmd s ARG 117 Cb -0.71 0.72 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1xmd s ARG 117 CO 0.41 -0.19 1.27 -1.21 -0.81 0.00 0.00 175.30 174.78 1xmd s GLU 118 N 2.64 2.57 0.00 5.12 0.41 -1.26 -3.16 118.70 125.02 1xmd s GLU 118 Ca -0.07 1.99 0.00 0.00 -0.41 0.00 0.00 54.97 56.49 1xmd s GLU 118 Cb -0.10 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1xmd s GLU 118 CO -0.19 -1.57 0.00 0.41 -0.49 0.00 0.00 175.26 173.42 1xmd n GLY 119 N 0.78 0.71 0.57 -1.39 0.00 -1.24 -4.89 105.19 99.73 1xmd n GLY 119 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1xmd n GLY 119 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xmd n THR 120 N -2.57 0.05 -0.04 2.61 -2.24 -1.19 -4.74 114.28 106.17 1xmd n THR 120 Ca 0.00 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1xmd n THR 120 Cb 0.00 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1xmd n THR 120 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1xmd h GLN 121 N 2.72 -0.33 -0.25 -0.78 4.15 -1.82 -1.50 115.11 117.31 1xmd h GLN 121 Ca 0.00 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 1xmd h GLN 121 Cb 0.59 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1xmd h GLN 121 CO 0.00 -0.22 -0.18 -0.07 -1.93 0.00 0.00 178.83 176.43 1xmd h LEU 122 N -0.35 0.58 0.32 -2.39 3.38 -1.93 0.61 115.31 115.53 1xmd h LEU 122 Ca 0.12 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xmd h LEU 122 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xmd h LEU 122 CO -0.42 0.90 -0.15 -0.33 0.09 0.00 0.00 178.44 178.53 1xmd h GLU 123 N 0.27 -0.42 -0.55 1.13 5.08 -1.86 -0.68 114.58 117.55 1xmd h GLU 123 Ca 0.05 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1xmd h GLU 123 Cb 0.71 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1xmd h GLU 123 CO 0.05 -0.24 0.16 0.00 -1.00 0.00 0.00 179.01 177.98 1xmd h ARG 124 N -0.48 0.82 -0.73 2.33 3.08 -1.34 -2.65 114.38 115.42 1xmd h ARG 124 Ca -0.04 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1xmd h ARG 124 Cb 0.36 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1xmd h ARG 124 CO 0.07 0.72 0.46 0.78 -1.07 0.00 0.00 179.97 180.93 1xmd h GLY 125 N 0.96 1.06 1.54 0.04 0.00 -0.52 -0.64 103.07 105.50 1xmd h GLY 125 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1xmd h GLY 125 CO -0.01 0.28 0.26 1.48 0.00 0.00 0.00 176.54 178.56 1xmd h SER 126 N 0.89 0.54 0.54 0.19 4.64 -0.76 -1.62 113.55 117.97 1xmd h SER 126 Ca 0.30 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.34 1xmd h SER 126 Cb 0.03 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1xmd h SER 126 CO -0.12 0.42 -1.10 0.24 -0.87 0.00 0.00 176.83 175.41 1xmd h MET 127 N 0.62 0.30 -0.52 4.77 2.07 -1.31 -2.66 114.93 118.20 1xmd h MET 127 Ca 0.16 -0.42 -0.01 0.00 -2.07 0.00 0.00 59.70 57.37 1xmd h MET 127 Cb -0.00 0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 1xmd h MET 127 CO -0.03 1.15 0.30 0.52 1.07 0.00 0.00 176.91 179.92 1xmd h MET 128 N 0.12 0.71 -0.35 1.72 2.86 -0.48 -0.55 114.93 118.95 1xmd h MET 128 Ca -0.10 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1xmd h MET 128 Cb 1.79 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.29 1xmd h MET 128 CO 0.18 0.52 0.13 -0.07 1.06 0.00 0.00 176.91 178.73 1xmd h LEU 129 N 0.69 0.49 -0.23 1.22 3.38 -1.38 -1.33 115.31 118.15 1xmd h LEU 129 Ca 0.18 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xmd h LEU 129 Cb 0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1xmd h LEU 129 CO -0.03 0.55 -0.09 -0.25 0.09 0.00 0.00 178.44 178.70 1xmd h TRP 130 N 0.41 -0.20 -0.50 1.13 2.91 -1.08 0.11 115.95 118.72 1xmd h TRP 130 Ca 0.11 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.03 1xmd h TRP 130 Cb 0.22 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1xmd h TRP 130 CO 0.00 -0.14 -0.19 0.45 -1.03 0.00 0.00 178.44 177.53 1xmd h HIS 131 N -0.05 1.15 -0.61 2.65 3.86 -1.04 -1.92 115.15 119.20 1xmd h HIS 131 Ca 0.12 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1xmd h HIS 131 Cb 0.23 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1xmd h HIS 131 CO -0.27 1.10 0.31 -0.91 0.86 0.00 0.00 177.93 179.02 1xmd h ASN 132 N 0.88 0.78 0.27 2.45 2.35 -0.91 -2.36 115.58 119.04 1xmd h ASN 132 Ca 0.12 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1xmd h ASN 132 Cb 0.76 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1xmd h ASN 132 CO 0.06 0.68 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.07 1xmd h LEU 133 N 0.83 0.17 -1.19 1.61 3.38 -0.68 -2.11 115.31 117.32 1xmd h LEU 133 Ca 0.21 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1xmd h LEU 133 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xmd h LEU 133 CO -0.03 0.54 -0.31 0.78 0.09 0.00 0.00 178.44 179.52 1xmd h ASN 134 N 0.14 0.17 -0.43 -0.43 2.35 -1.00 -1.07 115.58 115.32 1xmd h ASN 134 Ca 0.01 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1xmd h ASN 134 Cb 0.74 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1xmd h ASN 134 CO 0.06 0.47 -0.21 0.22 -1.65 0.00 0.00 177.43 176.32 1xmd h TYR 135 N 0.15 1.03 -0.65 1.19 5.03 -0.88 -1.91 116.97 120.93 1xmd h TYR 135 Ca 0.02 -0.26 0.04 0.00 2.58 0.00 0.00 58.73 61.11 1xmd h TYR 135 Cb 0.62 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 1xmd h TYR 135 CO 0.01 1.05 0.39 2.35 -1.32 0.00 0.00 178.16 180.63 1xmd h TRP 136 N 0.72 0.73 -0.94 -3.82 7.01 -0.88 -1.74 115.95 117.03 1xmd h TRP 136 Ca 0.09 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1xmd h TRP 136 Cb 0.78 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.56 1xmd h TRP 136 CO 0.06 0.40 0.58 1.96 -2.79 0.00 0.00 178.44 178.64 1xmd h GLN 137 N 0.75 1.27 -0.73 2.65 4.20 -0.92 -0.00 115.11 122.33 1xmd h GLN 137 Ca 0.27 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1xmd h GLN 137 Cb 0.06 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1xmd h GLN 137 CO -0.12 0.88 0.33 -0.07 -0.67 0.00 0.00 178.83 179.17 1xmd h LEU 138 N 1.29 0.97 -0.15 1.46 3.38 -0.66 -1.61 115.31 119.99 1xmd h LEU 138 Ca 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1xmd h LEU 138 Cb -0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1xmd h LEU 138 CO -0.07 0.85 -0.03 -0.07 0.09 0.00 0.00 178.44 179.22 1xmd h LEU 139 N 1.03 0.29 -2.06 1.67 3.38 -0.83 0.30 115.31 119.09 1xmd h LEU 139 Ca 0.25 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xmd h LEU 139 Cb 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xmd h LEU 139 CO -0.03 0.58 -0.04 -0.09 0.09 0.00 0.00 178.44 178.95 1xmd h ARG 140 N 0.00 0.00 -0.02 1.13 2.43 -0.88 0.64 114.38 117.68 1xmd h ARG 140 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xmd h ARG 140 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1xmd h ARG 140 CO 0.01 0.04 -0.08 0.54 -1.51 0.00 0.00 179.97 178.98 1xmd n ARG 141 N -4.23 1.74 -3.65 0.20 1.74 -0.62 -0.07 116.66 111.76 1xmd n ARG 141 Ca -0.03 -1.23 -0.26 0.00 -0.77 0.00 0.00 57.85 55.56 1xmd n ARG 141 Cb 0.13 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1xmd n ARG 141 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xmd n GLU 142 N 0.44 -6.90 -0.06 5.56 1.02 0.22 -4.87 120.64 116.05 1xmd n GLU 142 Ca 0.16 0.76 0.12 0.00 -0.02 0.00 0.00 57.16 58.17 1xmd n GLU 142 Cb 0.45 -5.74 0.19 0.00 -0.02 0.00 0.00 31.44 26.31 1xmd n GLU 142 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xmd n LYS 143 N -4.81 2.29 -2.55 3.49 4.76 0.92 -2.33 118.16 119.92 1xmd n LYS 143 Ca 0.01 -1.90 -0.43 0.00 -2.87 0.00 0.00 58.31 53.12 1xmd n LYS 143 Cb 0.55 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1xmd n LYS 143 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xmd s LEU 144 N -1.83 4.20 0.43 -0.35 2.96 -1.22 -4.96 118.68 117.92 1xmd s LEU 144 Ca 0.32 1.61 -0.24 0.00 -0.22 0.00 0.00 54.13 55.60 1xmd s LEU 144 Cb 0.21 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.25 1xmd s LEU 144 CO 0.31 -0.61 1.10 -2.65 -1.32 0.00 0.00 176.35 173.18 1xmd n PRO 145 N 5.76 1.52 -2.45 0.98 -0.02 -1.26 -3.73 135.00 135.80 1xmd n PRO 145 Ca 0.11 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1xmd n PRO 145 Cb 0.46 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1xmd n PRO 145 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xmd s VAL 146 N -1.26 4.19 0.22 -1.45 1.01 -1.26 -4.93 120.40 116.92 1xmd s VAL 146 Ca 0.63 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 1xmd s VAL 146 Cb -0.53 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 1xmd s VAL 146 CO 0.56 0.04 1.38 -1.00 0.00 0.00 0.00 175.10 176.08 1xmd s HIS 147 N 1.82 3.14 0.03 5.22 3.76 -1.26 -4.93 115.29 123.06 1xmd s HIS 147 Ca 0.57 1.11 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 1xmd s HIS 147 Cb -0.26 -3.72 -0.02 0.00 1.11 0.00 0.00 32.58 29.69 1xmd s HIS 147 CO 0.25 -2.30 -0.07 0.15 -0.85 0.00 0.00 174.74 171.92 1xmd s LYS 148 N -0.19 0.49 -0.34 1.40 1.02 -1.26 -0.73 119.74 120.12 1xmd s LYS 148 Ca 0.58 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.92 1xmd s LYS 148 Cb -0.39 -0.31 0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1xmd s LYS 148 CO 0.40 0.07 0.12 0.45 -0.92 0.00 0.00 175.35 175.47 1xmd s SER 149 N -1.14 5.36 1.26 2.83 0.15 0.30 -4.83 113.70 117.63 1xmd s SER 149 Ca -0.07 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1xmd s SER 149 Cb -0.08 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1xmd s SER 149 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1xmd n GLY 150 N 4.84 2.13 0.13 9.45 0.00 -1.26 -1.27 105.19 119.22 1xmd n GLY 150 Ca -0.12 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.74 1xmd n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xmd n ASN 151 N 9.83 1.45 -4.66 1.61 4.05 -1.26 -5.03 115.26 121.26 1xmd n ASN 151 Ca 0.00 -2.30 -0.38 0.00 0.45 0.00 0.00 54.58 52.35 1xmd n ASN 151 Cb 0.00 -0.21 -0.08 0.00 1.23 0.00 0.00 39.78 40.72 1xmd n ASN 151 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xmd s THR 152 N -1.41 5.22 0.50 -0.44 2.01 -0.39 -5.03 115.64 116.10 1xmd s THR 152 Ca 0.13 0.60 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 1xmd s THR 152 Cb 0.11 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 1xmd s THR 152 CO 0.01 0.25 1.31 -2.65 -0.69 0.00 0.00 174.62 172.86 1xmd n PRO 153 N 4.56 1.79 -4.40 4.92 -0.02 -1.26 -0.54 135.00 140.05 1xmd n PRO 153 Ca -0.09 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 1xmd n PRO 153 Cb 0.51 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 1xmd n PRO 153 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xmd s LEU 154 N -2.67 2.78 0.32 2.45 1.43 0.09 -4.82 118.68 118.27 1xmd s LEU 154 Ca 0.67 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1xmd s LEU 154 Cb -0.45 -1.34 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 1xmd s LEU 154 CO 0.53 0.05 1.50 -0.62 0.23 0.00 0.00 176.35 178.04 1xmd s ASP 155 N -3.37 6.44 0.00 2.29 2.15 0.72 -4.65 116.67 120.24 1xmd s ASP 155 Ca 0.29 2.92 0.01 0.00 0.43 0.00 0.00 52.55 56.20 1xmd s ASP 155 Cb -0.06 -2.65 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1xmd s ASP 155 CO 0.16 -0.83 0.89 0.23 -0.17 0.00 0.00 175.17 175.45 1xmd n MET 156 N 1.42 2.00 -0.29 4.34 2.81 -1.26 -4.79 117.12 121.34 1xmd n MET 156 Ca 0.04 -1.28 0.09 0.00 -1.81 0.00 0.00 57.70 54.74 1xmd n MET 156 Cb 0.39 -1.02 0.32 0.00 -0.71 0.00 0.00 33.22 32.20 1xmd n MET 156 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1xmd h ASN 157 N 0.13 0.76 -0.19 7.83 -0.73 -1.96 -2.05 115.58 119.38 1xmd h ASN 157 Ca 0.00 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.26 1xmd h ASN 157 Cb 0.39 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1xmd h ASN 157 CO 0.00 0.41 0.15 1.56 -0.37 0.00 0.00 177.43 179.19 1xmd h GLN 158 N 0.82 0.00 0.00 6.67 4.20 -1.91 -0.68 115.11 124.21 1xmd h GLN 158 Ca 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 1xmd h GLN 158 Cb 0.55 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1xmd h GLN 158 CO -0.20 0.00 -0.01 0.74 -0.67 0.00 0.00 178.83 178.69 1xmd h PHE 159 N 0.00 0.00 0.00 2.96 -1.00 -1.75 0.01 116.94 117.16 1xmd h PHE 159 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1xmd h PHE 159 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1xmd h PHE 159 CO 0.00 0.01 0.00 0.00 -1.61 0.00 0.00 178.31 176.71 1xmd h ARG 160 N 0.00 0.00 -0.01 1.51 3.08 -1.28 -3.02 114.38 114.66 1xmd h ARG 160 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xmd h ARG 160 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1xmd h ARG 160 CO 0.00 0.00 -0.18 -1.33 -1.07 0.00 0.00 179.97 177.39 1xmd n MET 161 N -3.06 1.17 -0.03 0.04 2.81 -0.01 -4.30 117.12 113.74 1xmd n MET 161 Ca 0.01 -0.72 -0.13 0.00 -1.81 0.00 0.00 57.70 55.05 1xmd n MET 161 Cb 0.30 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 1xmd n MET 161 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1xmd h LEU 162 N 1.76 0.18 -9.65 4.03 5.85 -1.62 -3.42 115.31 112.44 1xmd h LEU 162 Ca 0.00 -0.46 -0.60 0.00 0.84 0.00 0.00 57.88 57.66 1xmd h LEU 162 Cb 0.54 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1xmd h LEU 162 CO 0.00 0.60 -0.60 -0.36 -0.34 0.00 0.00 178.44 177.74 1xmd s PHE 163 N -4.37 3.08 -1.61 1.25 0.08 -1.26 -4.37 117.98 110.78 1xmd s PHE 163 Ca -0.15 -0.02 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 1xmd s PHE 163 Cb 0.03 -1.51 0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1xmd s PHE 163 CO 0.71 0.51 0.49 0.43 -0.10 0.00 0.00 175.22 177.26 1xmd n SER 164 N -0.02 -1.34 -4.03 1.36 7.64 -0.11 -4.20 113.62 112.93 1xmd n SER 164 Ca -0.09 -1.10 -0.23 0.00 1.01 0.00 0.00 58.87 58.47 1xmd n SER 164 Cb 0.54 -2.46 -0.16 0.00 -1.01 0.00 0.00 64.21 61.12 1xmd n SER 164 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xmd s THR 165 N -3.71 1.01 -0.17 0.44 2.01 -1.26 -0.79 115.64 113.17 1xmd s THR 165 Ca 0.38 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 1xmd s THR 165 Cb -0.21 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.44 1xmd s THR 165 CO 0.94 0.31 0.47 0.00 -0.69 0.00 0.00 174.62 175.66 1xmd s LYS 167 N 0.12 4.05 -0.08 0.00 2.20 -0.30 -0.56 119.74 125.16 1xmd s LYS 167 Ca -0.01 0.86 0.03 0.00 -0.36 0.00 0.00 55.97 56.48 1xmd s LYS 167 Cb -0.03 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1xmd s LYS 167 CO 0.01 -0.01 -0.16 0.08 -0.36 0.00 0.00 175.35 174.91 1xmd s VAL 168 N -2.22 1.48 0.44 4.02 1.01 0.87 -4.82 120.40 121.18 1xmd s VAL 168 Ca 0.57 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 1xmd s VAL 168 Cb -0.10 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 1xmd s VAL 168 CO 0.20 0.43 1.12 -2.16 0.00 0.00 0.00 175.10 174.69 1xmd s PRO 169 N 0.61 3.93 0.21 2.72 0.04 -1.26 -1.03 135.00 140.21 1xmd s PRO 169 Ca -0.15 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1xmd s PRO 169 Cb -0.16 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1xmd s PRO 169 CO 0.05 -0.38 -0.07 0.20 0.04 0.00 0.00 177.00 176.83 1xmd s GLY 170 N -1.45 1.41 0.22 0.56 0.00 -1.24 -4.74 107.32 102.08 1xmd s GLY 170 Ca 0.61 -1.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 1xmd s GLY 170 CO 0.32 -1.68 1.84 -2.22 0.00 0.00 0.00 173.10 171.35 1xmd h ILE 171 N 2.56 1.25 0.00 0.90 1.08 -1.89 -3.37 117.51 118.04 1xmd h ILE 171 Ca -0.38 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1xmd h ILE 171 Cb 1.21 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1xmd h ILE 171 CO 0.64 0.29 -0.87 0.35 -0.69 0.00 0.00 178.15 177.87 1xmd n THR 172 N -4.35 0.00 -3.77 -0.27 -2.24 -1.26 -4.60 114.28 97.78 1xmd n THR 172 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1xmd n THR 172 Cb 0.10 -0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 67.39 1xmd n THR 172 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xmd s ARG 173 N -1.86 -0.03 0.84 -0.78 3.52 -1.26 -4.58 118.95 114.81 1xmd s ARG 173 Ca 0.00 0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.67 1xmd s ARG 173 Cb 0.00 -0.27 0.12 0.00 -1.56 0.00 0.00 34.95 33.24 1xmd s ARG 173 CO 0.00 -0.18 1.20 -0.51 -0.81 0.00 0.00 175.30 175.00 1xmd s ASP 174 N 1.13 4.04 0.05 -2.12 1.01 -0.32 -3.64 116.67 116.83 1xmd s ASP 174 Ca -0.08 0.48 -0.01 0.00 0.71 0.00 0.00 52.55 53.66 1xmd s ASP 174 Cb -0.13 -0.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 1xmd s ASP 174 CO -0.03 -2.15 -0.03 -0.94 0.21 0.00 0.00 175.17 172.22 1xmd s SER 175 N -4.69 0.51 -0.16 0.27 1.04 -0.20 -4.87 113.70 105.61 1xmd s SER 175 Ca 0.66 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 1xmd s SER 175 Cb -0.08 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1xmd s SER 175 CO 0.49 -0.53 -0.04 -0.63 0.98 0.00 0.00 173.24 173.51 1xmd s ILE 176 N -3.42 3.83 -0.30 -1.02 -1.09 -1.26 -0.09 121.20 117.85 1xmd s ILE 176 Ca 0.03 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1xmd s ILE 176 Cb 0.04 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1xmd s ILE 176 CO -0.08 0.49 0.08 -0.04 -1.23 0.00 0.00 174.94 174.16 1xmd s MET 177 N 0.41 3.07 -0.37 2.79 -1.94 0.28 -4.98 119.30 118.55 1xmd s MET 177 Ca -0.04 -0.87 -0.02 0.00 -1.71 0.00 0.00 55.69 53.05 1xmd s MET 177 Cb -0.14 -3.37 0.09 0.00 2.01 0.00 0.00 34.83 33.42 1xmd s MET 177 CO 0.03 -0.45 0.13 1.21 -0.01 0.00 0.00 175.02 175.93 1xmd s ASN 178 N 1.49 5.10 0.00 3.03 2.47 -1.26 -0.85 114.94 124.93 1xmd s ASN 178 Ca 0.02 -1.83 0.25 0.00 0.42 0.00 0.00 52.86 51.72 1xmd s ASN 178 Cb -0.17 -1.78 0.37 0.00 -1.45 0.00 0.00 41.25 38.22 1xmd s ASN 178 CO 0.02 -0.45 1.34 -1.22 -3.72 0.00 0.00 177.10 173.08 1xmd n TYR 179 N 4.56 0.00 -1.94 0.43 4.01 0.03 -4.98 117.16 119.28 1xmd n TYR 179 Ca -0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 1xmd n TYR 179 Cb 0.42 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1xmd n TYR 179 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xmd s PHE 180 N -2.22 2.43 -0.17 -0.72 5.36 -1.23 -4.56 117.98 116.86 1xmd s PHE 180 Ca 0.26 1.45 -0.15 0.00 -0.96 0.00 0.00 56.93 57.53 1xmd s PHE 180 Cb 0.19 -3.63 0.05 0.00 -0.34 0.00 0.00 43.02 39.29 1xmd s PHE 180 CO 0.42 -2.45 0.46 0.15 -1.46 0.00 0.00 175.22 172.35 1xmd s LYS 181 N -2.97 0.53 0.84 10.12 1.02 -1.26 -5.05 119.74 122.97 1xmd s LYS 181 Ca 0.72 0.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.25 1xmd s LYS 181 Cb -0.36 0.23 0.10 0.00 -0.52 0.00 0.00 37.83 37.28 1xmd s LYS 181 CO 0.41 -0.08 1.12 0.95 -0.92 0.00 0.00 175.35 176.83 1xmd s THR 182 N 0.39 2.60 0.31 2.17 -4.23 -1.26 -4.62 115.64 111.00 1xmd s THR 182 Ca -0.01 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.73 1xmd s THR 182 Cb -0.04 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.14 1xmd s THR 182 CO -0.01 -0.25 1.86 -0.33 -0.54 0.00 0.00 174.62 175.34 1xmd h GLU 183 N -1.24 0.86 -0.01 3.99 5.08 -0.71 -0.81 114.58 121.74 1xmd h GLU 183 Ca -0.48 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 1xmd h GLU 183 Cb 1.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1xmd h GLU 183 CO 0.61 0.57 -0.25 0.77 -1.00 0.00 0.00 179.01 179.71 1xmd h SER 184 N 0.88 0.02 1.23 1.42 0.02 -1.92 -2.87 113.55 112.34 1xmd h SER 184 Ca 0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1xmd h SER 184 Cb 0.54 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xmd h SER 184 CO -0.23 0.27 -0.53 -0.33 -1.14 0.00 0.00 176.83 174.88 1xmd h GLU 185 N 0.02 0.00 0.00 3.45 5.08 -1.51 -3.50 114.58 118.12 1xmd h GLU 185 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xmd h GLU 185 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xmd h GLU 185 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1xmd n GLY 186 N 1.23 0.60 3.76 -3.84 0.00 -0.89 -4.93 105.19 101.12 1xmd n GLY 186 Ca 0.03 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1xmd n GLY 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xmd s HIS 187 N -1.45 3.25 0.00 1.61 5.65 -1.26 -4.48 115.29 118.62 1xmd s HIS 187 Ca 0.00 1.47 0.07 0.00 0.25 0.00 0.00 55.06 56.84 1xmd s HIS 187 Cb 0.00 -3.55 -0.02 0.00 -1.18 0.00 0.00 32.58 27.84 1xmd s HIS 187 CO 0.00 -1.46 -0.20 0.00 -0.65 0.00 0.00 174.74 172.42 1xmd n PRO 189 N 2.33 0.00 -0.29 0.00 -0.02 -1.26 -4.92 135.00 130.84 1xmd n PRO 189 Ca -0.16 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1xmd n PRO 189 Cb 0.53 -2.11 0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1xmd n PRO 189 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xmd n THR 190 N -3.26 0.97 -4.36 3.45 -2.24 -1.26 -4.81 114.28 102.77 1xmd n THR 190 Ca 0.11 -1.18 -0.24 0.00 -2.27 0.00 0.00 64.05 60.47 1xmd n THR 190 Cb 0.51 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1xmd n THR 190 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1xmd s HIS 191 N -1.48 2.53 0.28 4.78 -3.43 -1.26 -0.94 115.29 115.76 1xmd s HIS 191 Ca 0.17 -0.31 0.10 0.00 -0.80 0.00 0.00 55.06 54.22 1xmd s HIS 191 Cb 0.15 -1.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.04 1xmd s HIS 191 CO 0.01 0.62 -0.15 0.96 -2.00 0.00 0.00 174.74 174.17 1xmd s ILE 192 N -2.43 2.21 -0.09 -5.38 -4.36 -0.91 -0.22 121.20 110.02 1xmd s ILE 192 Ca 0.32 -2.30 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1xmd s ILE 192 Cb -0.04 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 1xmd s ILE 192 CO 0.18 -0.39 -0.12 0.00 0.24 0.00 0.00 174.94 174.85 1xmd s ALA 193 N -2.67 2.70 -0.11 2.27 0.00 -1.01 -2.88 121.76 120.06 1xmd s ALA 193 Ca 0.29 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1xmd s ALA 193 Cb -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1xmd s ALA 193 CO 0.13 0.42 -0.23 0.08 0.00 0.00 0.00 175.76 176.16 1xmd s VAL 194 N -0.27 2.04 -0.16 0.00 1.01 0.99 -0.45 120.40 123.56 1xmd s VAL 194 Ca 0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1xmd s VAL 194 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1xmd s VAL 194 CO 0.03 0.55 -0.02 -0.76 0.00 0.00 0.00 175.10 174.90 1xmd s LEU 195 N 0.48 3.33 -0.12 3.92 1.43 -0.19 -0.30 118.68 127.23 1xmd s LEU 195 Ca -0.16 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1xmd s LEU 195 Cb -0.17 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1xmd s LEU 195 CO 0.06 0.16 0.30 0.00 0.23 0.00 0.00 176.35 177.10 1xmd n ARG 197 N 3.80 -0.45 -1.06 0.00 1.74 -1.26 0.22 116.66 119.64 1xmd n ARG 197 Ca -0.21 -0.02 -0.02 0.00 -0.77 0.00 0.00 57.85 56.83 1xmd n ARG 197 Cb 0.55 -2.11 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 1xmd n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmd n GLY 198 N -2.01 0.37 3.54 -0.13 0.00 -1.25 -0.83 105.19 104.89 1xmd n GLY 198 Ca -0.13 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1xmd n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmd s ARG 199 N -1.59 1.81 -0.00 1.61 0.52 0.13 -1.47 118.95 119.96 1xmd s ARG 199 Ca 0.00 -1.94 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 1xmd s ARG 199 Cb 0.00 -1.65 -0.01 0.00 0.52 0.00 0.00 34.95 33.82 1xmd s ARG 199 CO 0.00 0.11 -0.09 0.00 0.02 0.00 0.00 175.30 175.34 1xmd s ALA 200 N -2.66 0.73 0.09 2.13 0.00 -1.26 -1.26 121.76 119.53 1xmd s ALA 200 Ca 0.33 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1xmd s ALA 200 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1xmd s ALA 200 CO 0.16 0.17 -0.06 -0.06 0.00 0.00 0.00 175.76 175.97 1xmd s PHE 201 N -0.27 0.83 0.05 0.00 0.40 0.59 -0.63 117.98 118.95 1xmd s PHE 201 Ca 0.03 -0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1xmd s PHE 201 Cb -0.04 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 1xmd s PHE 201 CO -0.00 -0.18 -0.04 0.14 0.70 0.00 0.00 175.22 175.84 1xmd s VAL 202 N -3.54 0.26 -0.11 -0.44 -7.23 -0.14 -0.01 120.40 109.20 1xmd s VAL 202 Ca 0.10 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1xmd s VAL 202 Cb 0.05 -1.13 0.10 0.00 0.56 0.00 0.00 36.38 35.95 1xmd s VAL 202 CO -0.05 -0.81 0.84 0.72 -0.31 0.00 0.00 175.10 175.49 1xmd s PHE 203 N -3.05 -0.52 0.35 2.82 -0.71 -1.14 -0.86 117.98 114.87 1xmd s PHE 203 Ca 0.00 0.91 -0.26 0.00 -1.04 0.00 0.00 56.93 56.54 1xmd s PHE 203 Cb 0.02 0.43 -0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1xmd s PHE 203 CO -0.06 -0.47 1.04 0.34 -1.34 0.00 0.00 175.22 174.72 1xmd s ASP 204 N -1.10 7.00 0.00 1.98 -1.08 -1.26 -2.14 116.67 120.07 1xmd s ASP 204 Ca -0.06 2.05 0.25 0.00 -0.52 0.00 0.00 52.55 54.27 1xmd s ASP 204 Cb -0.00 -2.59 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 1xmd s ASP 204 CO 0.06 -0.32 1.38 1.33 0.52 0.00 0.00 175.17 178.13 1xmd n VAL 205 N 0.36 0.00 -4.33 1.11 0.24 -0.12 -4.90 118.33 110.69 1xmd n VAL 205 Ca 0.03 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.34 61.77 1xmd n VAL 205 Cb 0.49 0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 1xmd n VAL 205 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xmd s LEU 206 N -2.34 3.08 -0.14 1.34 1.43 -1.26 -0.78 118.68 120.02 1xmd s LEU 206 Ca 0.25 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1xmd s LEU 206 Cb 0.19 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1xmd s LEU 206 CO 0.47 0.22 0.18 -2.28 0.23 0.00 0.00 176.35 175.17 1xmd s HIS 207 N -1.13 -0.20 -1.31 0.29 2.46 0.55 -4.87 115.29 111.07 1xmd s HIS 207 Ca 0.20 0.44 -0.02 0.00 0.47 0.00 0.00 55.06 56.15 1xmd s HIS 207 Cb -0.11 -0.31 0.01 0.00 -0.13 0.00 0.00 32.58 32.04 1xmd s HIS 207 CO 0.12 -0.41 0.84 0.39 -2.47 0.00 0.00 174.74 173.21 1xmd n GLU 208 N 5.32 -5.63 0.00 2.88 1.02 -1.26 -2.65 120.64 120.32 1xmd n GLU 208 Ca -0.05 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1xmd n GLU 208 Cb 0.50 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 1xmd n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmd n GLY 209 N -1.50 2.87 3.64 0.62 0.00 -1.26 -5.02 105.19 104.53 1xmd n GLY 209 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1xmd n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmd s LEU 211 N -3.72 4.39 0.50 0.00 2.96 -1.26 -0.33 118.68 121.22 1xmd s LEU 211 Ca 0.35 2.52 -0.21 0.00 -0.22 0.00 0.00 54.13 56.57 1xmd s LEU 211 Cb -0.01 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1xmd s LEU 211 CO 0.20 -0.66 1.15 0.27 -1.32 0.00 0.00 176.35 175.99 1xmd s ILE 212 N 0.37 3.10 0.65 6.68 -4.36 0.04 -4.85 121.20 122.83 1xmd s ILE 212 Ca 0.61 0.75 -0.05 0.00 -0.26 0.00 0.00 60.65 61.71 1xmd s ILE 212 Cb -0.40 -3.35 0.05 0.00 1.25 0.00 0.00 42.46 40.01 1xmd s ILE 212 CO 0.38 -0.08 0.94 0.42 0.24 0.00 0.00 174.94 176.83 1xmd s THR 213 N -1.65 2.61 0.22 8.37 -4.23 -1.26 -4.82 115.64 114.88 1xmd s THR 213 Ca 0.68 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1xmd s THR 213 Cb -0.27 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 70.68 1xmd s THR 213 CO 0.31 -0.08 1.69 -0.65 -0.54 0.00 0.00 174.62 175.35 1xmd h PRO 214 N -0.36 0.21 -0.78 3.99 0.11 -1.93 0.24 132.00 133.48 1xmd h PRO 214 Ca -0.44 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1xmd h PRO 214 Cb 1.30 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1xmd h PRO 214 CO 0.59 0.14 0.51 -1.35 -0.21 0.00 0.00 178.00 177.68 1xmd h PRO 215 N 0.22 0.87 -0.06 1.05 0.11 -1.88 0.35 132.00 132.66 1xmd h PRO 215 Ca 0.34 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.18 1xmd h PRO 215 Cb 0.53 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1xmd h PRO 215 CO -0.46 0.57 -0.85 0.93 -0.21 0.00 0.00 178.00 177.99 1xmd h GLU 216 N 0.89 0.51 -0.25 1.05 5.08 -1.26 -2.54 114.58 118.06 1xmd h GLU 216 Ca 0.32 -0.48 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1xmd h GLU 216 Cb 0.14 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xmd h GLU 216 CO -0.10 1.11 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.64 1xmd h LEU 217 N 0.32 0.53 -0.84 1.33 3.38 0.00 -2.48 115.31 117.55 1xmd h LEU 217 Ca -0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1xmd h LEU 217 Cb 1.47 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1xmd h LEU 217 CO 0.15 0.81 0.19 0.25 0.09 0.00 0.00 178.44 179.93 1xmd h LEU 218 N 0.44 0.98 -0.52 1.67 5.85 -0.20 -0.94 115.31 122.59 1xmd h LEU 218 Ca 0.06 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1xmd h LEU 218 Cb 0.76 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1xmd h LEU 218 CO 0.06 0.93 0.12 -0.09 -0.34 0.00 0.00 178.44 179.12 1xmd h ARG 219 N 1.00 0.83 -0.19 1.25 2.43 -1.18 0.17 114.38 118.69 1xmd h ARG 219 Ca 0.22 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xmd h ARG 219 Cb 0.32 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1xmd h ARG 219 CO -0.00 0.80 0.11 1.96 -1.51 0.00 0.00 179.97 181.33 1xmd h GLN 220 N 0.72 0.26 -0.38 0.20 1.08 -1.03 0.16 115.11 116.13 1xmd h GLN 220 Ca 0.16 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 1xmd h GLN 220 Cb 0.34 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1xmd h GLN 220 CO 0.00 0.23 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.87 1xmd h LEU 221 N 0.23 0.71 -0.35 1.46 3.38 -1.06 -2.20 115.31 117.47 1xmd h LEU 221 Ca 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1xmd h LEU 221 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xmd h LEU 221 CO -0.01 0.89 -0.02 0.74 0.09 0.00 0.00 178.44 180.12 1xmd h THR 222 N 0.64 1.27 -0.19 0.22 2.02 -0.77 0.19 112.91 116.28 1xmd h THR 222 Ca 0.10 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.29 1xmd h THR 222 Cb 0.64 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1xmd h THR 222 CO 0.05 0.34 -0.03 0.22 0.37 0.00 0.00 175.52 176.46 1xmd h TYR 223 N 0.45 -0.08 0.14 3.16 5.03 -0.80 0.26 116.97 125.13 1xmd h TYR 223 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1xmd h TYR 223 Cb 0.50 0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1xmd h TYR 223 CO 0.04 -0.07 -0.07 0.82 -1.32 0.00 0.00 178.16 177.56 1xmd h ILE 224 N 0.02 0.87 -0.49 1.81 2.04 -1.20 -1.71 117.51 118.84 1xmd h ILE 224 Ca 0.09 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1xmd h ILE 224 Cb 0.13 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1xmd h ILE 224 CO -0.18 0.01 0.28 -0.74 0.00 0.00 0.00 178.15 177.51 1xmd h HIS 225 N -0.21 0.52 0.09 1.37 2.76 -0.39 -1.74 115.15 117.55 1xmd h HIS 225 Ca -0.02 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1xmd h HIS 225 Cb 0.16 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1xmd h HIS 225 CO -0.06 0.29 -0.04 0.87 -1.30 0.00 0.00 177.93 177.68 1xmd h LYS 226 N 0.55 -0.12 -0.86 5.26 1.79 -0.88 -0.39 116.57 121.93 1xmd h LYS 226 Ca 0.20 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1xmd h LYS 226 Cb 0.05 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.66 1xmd h LYS 226 CO -0.11 -0.01 0.53 -0.22 -1.08 0.00 0.00 179.45 178.57 1xmd h LYS 227 N -0.20 0.95 -0.01 3.15 3.64 -1.18 -2.89 116.57 120.04 1xmd h LYS 227 Ca -0.01 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.11 1xmd h LYS 227 Cb 0.16 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1xmd h LYS 227 CO 0.02 0.63 -0.88 0.00 -2.27 0.00 0.00 179.45 176.95 1xmd h SER 229 N 0.17 0.00 -0.67 0.00 4.64 -0.87 -2.91 113.55 113.91 1xmd h SER 229 Ca -0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 1xmd h SER 229 Cb 1.50 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.48 1xmd h SER 229 CO 0.14 0.39 0.25 0.59 -0.87 0.00 0.00 176.83 177.33 1xmd n ASN 230 N -3.98 4.60 -3.93 4.97 3.02 -1.12 -4.93 115.26 113.88 1xmd n ASN 230 Ca -0.02 -3.09 -0.09 0.00 -0.03 0.00 0.00 54.58 51.35 1xmd n ASN 230 Cb 0.43 -0.73 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 1xmd n ASN 230 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xmd s GLU 231 N -2.74 0.97 0.62 3.52 2.02 -1.10 -5.08 118.70 116.91 1xmd s GLU 231 Ca 0.50 -1.09 -0.16 0.00 0.02 0.00 0.00 54.97 54.24 1xmd s GLU 231 Cb 0.40 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.95 1xmd s GLU 231 CO 0.12 -0.32 1.10 -1.25 0.02 0.00 0.00 175.26 174.93 1xmd s PRO 232 N -3.92 3.05 0.28 0.39 0.04 -1.26 -4.94 135.00 128.64 1xmd s PRO 232 Ca 0.11 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1xmd s PRO 232 Cb 0.05 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1xmd s PRO 232 CO -0.06 -1.05 1.23 0.28 0.04 0.00 0.00 177.00 177.44 1xmd n VAL 233 N -2.11 1.61 -1.04 -0.36 0.31 -1.26 -4.98 118.33 110.49 1xmd n VAL 233 Ca 0.10 -0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 1xmd n VAL 233 Cb 0.52 -1.31 0.13 0.00 -0.91 0.00 0.00 33.84 32.26 1xmd n VAL 233 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xmd n GLY 234 N 1.39 -2.17 0.16 2.92 0.00 -0.01 -4.91 105.19 102.57 1xmd n GLY 234 Ca 0.09 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1xmd n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xmd h PRO 235 N 0.00 0.00 -5.86 1.61 0.13 -1.88 -3.44 132.00 122.56 1xmd h PRO 235 Ca -0.23 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.52 1xmd h PRO 235 Cb 0.66 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.91 1xmd h PRO 235 CO 0.15 0.00 -0.74 0.43 -0.23 0.00 0.00 178.00 177.61 1xmd n SER 236 N -2.30 -3.97 -0.20 1.44 7.64 -0.54 -4.88 113.62 110.81 1xmd n SER 236 Ca -0.00 -0.63 0.15 0.00 1.01 0.00 0.00 58.87 59.40 1xmd n SER 236 Cb 0.11 -4.82 0.47 0.00 -1.01 0.00 0.00 64.21 58.96 1xmd n SER 236 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1xmd h ILE 237 N -2.24 0.79 -0.97 0.44 1.08 -1.87 -1.73 117.51 113.02 1xmd h ILE 237 Ca -0.58 -0.17 0.21 0.00 -0.39 0.00 0.00 64.86 63.93 1xmd h ILE 237 Cb 1.36 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 35.29 1xmd h ILE 237 CO 0.55 0.09 0.62 0.00 -0.69 0.00 0.00 178.15 178.72 1xmd h ALA 238 N 1.63 2.01 -0.11 1.87 0.00 -1.85 -0.70 119.26 122.11 1xmd h ALA 238 Ca 0.40 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.39 1xmd h ALA 238 Cb 0.85 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xmd h ALA 238 CO -0.15 -0.35 0.15 0.00 0.00 0.00 0.00 179.25 178.90 1xmd h ALA 239 N 1.62 1.63 0.00 0.00 0.00 -1.10 -1.00 119.26 120.41 1xmd h ALA 239 Ca 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1xmd h ALA 239 Cb 1.12 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xmd h ALA 239 CO -0.27 -0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 178.61 1xmd h LEU 240 N 0.00 0.00 0.00 0.00 3.38 -1.30 -1.90 115.31 115.49 1xmd h LEU 240 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xmd h LEU 240 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xmd h LEU 240 CO -0.00 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.97 1xmd n THR 241 N -3.83 1.12 1.28 0.22 -2.24 -0.38 -2.30 114.28 108.14 1xmd n THR 241 Ca -0.02 0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 1xmd n THR 241 Cb 0.19 -1.08 0.39 0.00 -2.10 0.00 0.00 70.33 67.73 1xmd n THR 241 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xmd n SER 242 N -1.47 1.15 -4.48 3.42 3.41 -0.71 -4.56 113.62 110.37 1xmd n SER 242 Ca 0.03 -1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 57.33 1xmd n SER 242 Cb 0.13 0.12 0.15 0.00 -0.26 0.00 0.00 64.21 64.35 1xmd n SER 242 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1xmd s GLU 243 N -2.41 0.98 0.34 4.33 0.41 -0.97 -4.67 118.70 116.70 1xmd s GLU 243 Ca 0.26 -0.06 -0.29 0.00 -0.41 0.00 0.00 54.97 54.48 1xmd s GLU 243 Cb 0.19 -1.85 -0.11 0.00 -1.78 0.00 0.00 34.13 30.58 1xmd s GLU 243 CO 0.49 -2.24 1.48 -2.00 -0.49 0.00 0.00 175.26 172.50 1xmd s GLU 244 N -5.61 4.16 0.24 1.61 -6.30 -1.26 -4.26 118.70 107.28 1xmd s GLU 244 Ca 0.68 2.50 -0.05 0.00 -2.50 0.00 0.00 54.97 55.60 1xmd s GLU 244 Cb -0.09 -3.01 0.45 0.00 0.00 0.00 0.00 34.13 31.48 1xmd s GLU 244 CO 0.52 -0.50 1.71 0.00 0.02 0.00 0.00 175.26 177.01 1xmd h ARG 245 N 3.67 0.36 -0.35 4.30 2.47 -1.38 -1.81 114.38 121.64 1xmd h ARG 245 Ca -0.49 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.07 1xmd h ARG 245 Cb 1.23 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1xmd h ARG 245 CO 0.69 0.24 -0.33 1.15 0.56 0.00 0.00 179.97 182.28 1xmd h THR 246 N 0.37 1.28 -0.53 2.04 2.02 -1.78 -1.05 112.91 115.26 1xmd h THR 246 Ca 0.41 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 1xmd h THR 246 Cb 0.64 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1xmd h THR 246 CO -0.44 0.49 0.27 0.03 0.37 0.00 0.00 175.52 176.24 1xmd h ARG 247 N 0.66 0.76 -0.52 6.66 3.08 -1.74 -0.85 114.38 122.43 1xmd h ARG 247 Ca 0.07 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1xmd h ARG 247 Cb 0.87 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1xmd h ARG 247 CO 0.08 0.62 0.08 2.35 -1.07 0.00 0.00 179.97 182.03 1xmd h TRP 248 N 0.72 0.91 -0.85 3.04 -0.00 -1.27 0.28 115.95 118.78 1xmd h TRP 248 Ca 0.18 -0.13 0.04 0.00 -0.00 0.00 0.00 58.89 58.99 1xmd h TRP 248 Cb 0.10 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.16 28.96 1xmd h TRP 248 CO -0.01 0.82 0.54 0.00 -0.00 0.00 0.00 178.44 179.80 1xmd h ALA 249 N 0.98 1.13 -0.24 2.65 0.00 -0.83 0.31 119.26 123.26 1xmd h ALA 249 Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1xmd h ALA 249 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xmd h ALA 249 CO 0.01 0.34 -0.61 0.87 0.00 0.00 0.00 179.25 179.87 1xmd h LYS 250 N 1.03 0.79 -0.24 0.00 1.57 -0.85 -2.13 116.57 116.75 1xmd h LYS 250 Ca 0.35 -0.54 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1xmd h LYS 250 Cb 0.06 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xmd h LYS 250 CO -0.13 1.16 -0.38 0.00 -0.57 0.00 0.00 179.45 179.53 1xmd h ALA 251 N 0.72 0.89 -0.45 3.86 0.00 -0.53 -1.56 119.26 122.19 1xmd h ALA 251 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1xmd h ALA 251 Cb 1.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1xmd h ALA 251 CO 0.13 0.63 0.13 -0.09 0.00 0.00 0.00 179.25 180.05 1xmd h ARG 252 N 0.46 0.71 -0.52 0.00 2.43 -0.34 0.78 114.38 117.90 1xmd h ARG 252 Ca 0.04 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1xmd h ARG 252 Cb 0.87 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1xmd h ARG 252 CO 0.07 0.70 0.28 0.93 -1.51 0.00 0.00 179.97 180.44 1xmd h GLU 253 N 0.60 0.72 -0.31 0.20 5.08 -1.22 -1.92 114.58 117.73 1xmd h GLU 253 Ca 0.14 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xmd h GLU 253 Cb 0.29 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1xmd h GLU 253 CO -0.00 0.57 0.12 -0.92 -1.00 0.00 0.00 179.01 177.78 1xmd h TYR 254 N 0.69 0.47 -0.76 4.33 5.03 -1.06 -1.60 116.97 124.07 1xmd h TYR 254 Ca 0.18 -0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.57 1xmd h TYR 254 Cb 0.05 -0.14 -0.08 0.00 1.55 0.00 0.00 36.73 38.11 1xmd h TYR 254 CO -0.02 0.46 0.37 1.25 -1.32 0.00 0.00 178.16 178.90 1xmd h LEU 255 N 0.35 0.46 -0.89 2.82 5.85 -0.63 -0.84 115.31 122.43 1xmd h LEU 255 Ca 0.10 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1xmd h LEU 255 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1xmd h LEU 255 CO -0.01 0.23 -0.33 0.40 -0.34 0.00 0.00 178.44 178.39 1xmd h ILE 256 N 0.59 1.28 0.00 4.05 2.04 -1.06 -2.84 117.51 121.58 1xmd h ILE 256 Ca 0.39 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1xmd h ILE 256 Cb 0.49 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1xmd h ILE 256 CO -0.32 0.43 0.00 0.77 0.00 0.00 0.00 178.15 179.04 1xmd h SER 257 N 0.36 0.00 0.57 1.72 4.64 -0.16 -2.55 113.55 118.13 1xmd h SER 257 Ca 0.04 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 1xmd h SER 257 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1xmd h SER 257 CO 0.06 0.00 -0.92 -0.07 -0.87 0.00 0.00 176.83 175.03 1xmd h LEU 258 N 0.00 0.30 -6.34 5.97 3.38 -1.23 -3.45 115.31 113.95 1xmd h LEU 258 Ca 0.00 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 57.84 1xmd h LEU 258 Cb 0.30 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 40.75 1xmd h LEU 258 CO 0.00 1.07 -0.10 -0.62 0.09 0.00 0.00 178.44 178.88 1xmd s ASP 259 N -6.96 -1.06 0.51 -0.43 2.15 -0.96 -5.04 116.67 104.87 1xmd s ASP 259 Ca -0.03 0.96 0.31 0.00 0.43 0.00 0.00 52.55 54.21 1xmd s ASP 259 Cb 0.10 2.01 1.43 0.00 -0.30 0.00 0.00 42.92 46.15 1xmd s ASP 259 CO 0.84 -0.20 1.83 1.55 -0.17 0.00 0.00 175.17 179.02 1xmd h PRO 260 N 7.93 0.09 0.00 4.34 0.13 -1.87 0.34 132.00 142.95 1xmd h PRO 260 Ca -0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1xmd h PRO 260 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xmd h PRO 260 CO 0.14 0.06 0.00 0.93 -0.23 0.00 0.00 178.00 178.89 1xmd h GLU 261 N 0.09 0.00 -0.18 0.86 5.08 -1.96 -1.94 114.58 116.53 1xmd h GLU 261 Ca 0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.83 1xmd h GLU 261 Cb 1.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1xmd h GLU 261 CO -0.06 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.95 1xmd h ASN 262 N 0.00 0.26 -0.50 1.42 2.35 -0.63 -1.32 115.58 117.16 1xmd h ASN 262 Ca 0.00 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 1xmd h ASN 262 Cb 0.26 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1xmd h ASN 262 CO 0.00 0.38 -0.16 0.25 -1.65 0.00 0.00 177.43 176.25 1xmd h LEU 263 N 0.27 1.02 -0.86 1.61 5.85 -1.50 -1.39 115.31 120.30 1xmd h LEU 263 Ca 0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1xmd h LEU 263 Cb 0.32 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1xmd h LEU 263 CO 0.02 1.16 0.49 0.74 -0.34 0.00 0.00 178.44 180.51 1xmd h THR 264 N 0.88 1.25 -0.42 1.05 2.02 -1.39 -0.29 112.91 116.01 1xmd h THR 264 Ca 0.13 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 1xmd h THR 264 Cb 0.73 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1xmd h THR 264 CO 0.06 0.27 0.08 -0.07 0.37 0.00 0.00 175.52 176.22 1xmd h LEU 265 N 1.19 0.66 -0.62 2.58 4.07 -1.00 -1.62 115.31 120.57 1xmd h LEU 265 Ca 0.31 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1xmd h LEU 265 Cb -0.01 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 1xmd h LEU 265 CO -0.05 0.74 0.31 -0.07 -1.08 0.00 0.00 178.44 178.29 1xmd h LEU 266 N 0.55 0.80 -1.43 1.67 3.38 -0.93 -2.48 115.31 116.88 1xmd h LEU 266 Ca 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xmd h LEU 266 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xmd h LEU 266 CO 0.01 0.70 -0.08 -0.33 0.09 0.00 0.00 178.44 178.83 1xmd h GLU 267 N 0.85 0.28 -0.60 1.13 5.08 -0.81 -0.37 114.58 120.14 1xmd h GLU 267 Ca 0.22 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1xmd h GLU 267 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xmd h GLU 267 CO -0.03 0.37 0.16 0.87 -1.00 0.00 0.00 179.01 179.38 1xmd h LYS 268 N 0.27 0.93 -0.22 2.33 1.57 -0.85 -0.30 116.57 120.31 1xmd h LYS 268 Ca 0.06 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1xmd h LYS 268 Cb 0.31 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xmd h LYS 268 CO 0.01 0.82 -0.31 0.82 -0.57 0.00 0.00 179.45 180.23 1xmd h ILE 269 N 0.90 1.32 -0.70 1.86 2.04 -1.04 -2.71 117.51 119.18 1xmd h ILE 269 Ca 0.20 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1xmd h ILE 269 Cb 0.30 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1xmd h ILE 269 CO -0.00 0.47 0.47 1.56 0.00 0.00 0.00 178.15 180.64 1xmd h GLN 270 N 0.28 0.92 0.00 2.37 4.20 -0.76 -2.91 115.11 119.21 1xmd h GLN 270 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xmd h GLN 270 Cb 0.88 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1xmd h GLN 270 CO 0.07 0.61 -0.09 0.25 -0.67 0.00 0.00 178.83 179.00 1xmd n THR 271 N -4.60 0.54 -1.60 -0.54 -2.24 -0.15 -4.06 114.28 101.63 1xmd n THR 271 Ca 0.06 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 1xmd n THR 271 Cb 0.02 -0.52 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 1xmd n THR 271 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xmd n SER 272 N -2.22 0.92 -0.30 3.42 3.41 -1.02 -4.46 113.62 113.38 1xmd n SER 272 Ca 0.05 0.94 0.10 0.00 -0.26 0.00 0.00 58.87 59.70 1xmd n SER 272 Cb 0.43 -1.35 0.26 0.00 -0.26 0.00 0.00 64.21 63.29 1xmd n SER 272 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xmd h LEU 273 N 1.12 0.40 -7.39 1.04 3.38 -0.91 -2.84 115.31 110.12 1xmd h LEU 273 Ca -0.46 0.12 0.23 0.00 0.09 0.00 0.00 57.88 57.86 1xmd h LEU 273 Cb 1.35 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.07 1xmd h LEU 273 CO 0.54 0.10 0.63 0.72 0.09 0.00 0.00 178.44 180.52 1xmd s PHE 274 N -5.93 -0.12 -0.17 1.13 -0.12 -1.26 -0.94 117.98 110.57 1xmd s PHE 274 Ca -0.12 -0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 56.62 1xmd s PHE 274 Cb 0.23 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 43.17 1xmd s PHE 274 CO 0.78 -0.56 0.04 0.08 -0.05 0.00 0.00 175.22 175.51 1xmd s VAL 275 N -2.90 4.59 -0.20 -2.49 1.01 -1.07 -2.41 120.40 116.93 1xmd s VAL 275 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1xmd s VAL 275 Cb 0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1xmd s VAL 275 CO -0.02 0.48 -0.06 -0.47 0.00 0.00 0.00 175.10 175.04 1xmd s TYR 276 N 0.24 2.94 -0.18 5.22 5.04 0.41 -0.11 117.35 130.90 1xmd s TYR 276 Ca 0.02 -0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 53.71 1xmd s TYR 276 Cb -0.13 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 1xmd s TYR 276 CO 0.01 -0.48 0.01 -1.12 -1.34 0.00 0.00 175.55 172.63 1xmd s SER 277 N 1.26 5.10 -0.43 4.32 0.01 0.58 -1.02 113.70 123.52 1xmd s SER 277 Ca 0.03 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.06 1xmd s SER 277 Cb -0.14 -1.86 0.05 0.00 0.21 0.00 0.00 66.02 64.27 1xmd s SER 277 CO -0.02 0.13 0.33 -0.63 0.41 0.00 0.00 173.24 173.46 1xmd s ILE 278 N 0.60 5.14 0.13 1.44 1.01 -0.38 -0.03 121.20 129.11 1xmd s ILE 278 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1xmd s ILE 278 Cb -0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1xmd s ILE 278 CO 0.02 -0.42 0.27 -1.61 0.00 0.00 0.00 174.94 173.20 1xmd s GLU 279 N 1.64 3.45 0.00 2.79 0.41 0.53 -4.50 118.70 123.01 1xmd s GLU 279 Ca 0.04 -0.54 0.21 0.00 -0.41 0.00 0.00 54.97 54.27 1xmd s GLU 279 Cb -0.21 -2.98 0.04 0.00 -1.78 0.00 0.00 34.13 29.20 1xmd s GLU 279 CO 0.08 0.54 1.06 -0.25 -0.49 0.00 0.00 175.26 176.20 1xmd n ASP 280 N -0.34 2.16 -4.91 -0.19 8.00 -1.26 -3.15 116.55 116.86 1xmd n ASP 280 Ca -0.06 -1.58 -0.28 0.00 0.71 0.00 0.00 54.79 53.58 1xmd n ASP 280 Cb 0.53 0.34 0.06 0.00 -0.02 0.00 0.00 41.12 42.03 1xmd n ASP 280 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xmd s SER 281 N -2.14 5.01 -0.39 -2.24 1.04 -1.26 -4.57 113.70 109.15 1xmd s SER 281 Ca 0.19 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.38 1xmd s SER 281 Cb 0.17 -1.45 0.15 0.00 0.10 0.00 0.00 66.02 64.99 1xmd s SER 281 CO 0.44 -1.53 0.26 -0.44 0.98 0.00 0.00 173.24 172.95 1xmd s SER 282 N -4.46 2.66 0.31 7.02 0.01 -1.26 -1.23 113.70 116.75 1xmd s SER 282 Ca 0.59 -2.54 -0.29 0.00 1.31 0.00 0.00 55.95 55.02 1xmd s SER 282 Cb -0.11 -0.52 -0.10 0.00 0.21 0.00 0.00 66.02 65.50 1xmd s SER 282 CO 0.48 -0.26 1.31 -2.16 0.41 0.00 0.00 173.24 173.02 1xmd s PRO 283 N 0.62 4.37 0.12 12.44 0.04 -1.26 -4.95 135.00 146.38 1xmd s PRO 283 Ca 0.22 2.19 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 1xmd s PRO 283 Cb -0.15 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 1xmd s PRO 283 CO -0.06 -0.19 1.50 -1.58 0.04 0.00 0.00 177.00 176.71 1xmd s HIS 284 N -0.94 3.04 -0.17 0.56 2.46 -1.26 -4.85 115.29 114.13 1xmd s HIS 284 Ca 0.50 0.73 -0.06 0.00 0.47 0.00 0.00 55.06 56.69 1xmd s HIS 284 Cb -0.39 -3.82 0.07 0.00 -0.13 0.00 0.00 32.58 28.31 1xmd s HIS 284 CO 0.50 -3.02 0.36 0.00 -2.47 0.00 0.00 174.74 170.12 1xmd s ALA 285 N 1.40 -0.91 0.07 1.58 0.00 -1.26 -4.24 121.76 118.39 1xmd s ALA 285 Ca 0.68 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.94 1xmd s ALA 285 Cb -0.40 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1xmd s ALA 285 CO 0.31 -0.61 -0.04 0.95 0.00 0.00 0.00 175.76 176.36 1xmd s THR 286 N 2.28 0.38 0.41 0.00 -4.23 -0.54 -4.31 115.64 109.63 1xmd s THR 286 Ca -0.02 -1.83 0.22 0.00 -1.18 0.00 0.00 61.69 58.88 1xmd s THR 286 Cb -0.11 -1.55 0.42 0.00 1.34 0.00 0.00 72.50 72.60 1xmd s THR 286 CO -0.11 -0.95 1.70 -0.65 -0.54 0.00 0.00 174.62 174.07 1xmd h PRO 287 N 3.12 0.26 0.00 3.99 0.11 -1.93 -2.79 132.00 134.75 1xmd h PRO 287 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1xmd h PRO 287 Cb 1.15 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xmd h PRO 287 CO 0.65 0.17 -0.10 0.93 -0.21 0.00 0.00 178.00 179.44 1xmd h GLU 288 N 0.26 0.00 -5.00 1.05 3.07 -1.97 -3.46 114.58 108.53 1xmd h GLU 288 Ca 0.70 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.90 1xmd h GLU 288 Cb 1.94 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 29.54 1xmd h GLU 288 CO -0.38 0.30 -0.77 -1.83 -1.40 0.00 0.00 179.01 174.92 1xmd s GLU 289 N -1.82 3.15 0.00 2.33 -1.05 -1.05 -4.55 118.70 115.71 1xmd s GLU 289 Ca -0.07 -0.76 0.09 0.00 -0.15 0.00 0.00 54.97 54.08 1xmd s GLU 289 Cb -0.00 -2.85 0.16 0.00 -0.44 0.00 0.00 34.13 30.99 1xmd s GLU 289 CO 0.22 -0.24 0.98 2.48 0.95 0.00 0.00 175.26 179.66 1xmd n TYR 290 N 4.71 0.00 0.03 4.83 0.18 -1.26 -1.47 117.16 124.19 1xmd n TYR 290 Ca -0.19 -0.30 0.14 0.00 1.88 0.00 0.00 57.90 59.42 1xmd n TYR 290 Cb 0.50 0.10 0.60 0.00 -0.38 0.00 0.00 39.34 40.15 1xmd n TYR 290 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1xmd h SER 291 N 0.36 0.16 0.26 9.48 4.64 -1.81 -0.53 113.55 126.10 1xmd h SER 291 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1xmd h SER 291 Cb 1.52 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1xmd h SER 291 CO -0.03 0.10 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.32 1xmd h GLN 292 N 0.17 0.00 -0.25 4.77 4.15 -1.90 -1.72 115.11 120.33 1xmd h GLN 292 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 1xmd h GLN 292 Cb 0.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1xmd h GLN 292 CO -0.03 0.09 -0.17 0.28 -1.93 0.00 0.00 178.83 177.07 1xmd h VAL 293 N 0.00 1.31 -0.71 2.39 2.07 -1.26 -1.57 116.25 118.48 1xmd h VAL 293 Ca -0.00 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1xmd h VAL 293 Cb 0.25 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1xmd h VAL 293 CO 0.01 0.40 0.45 -0.26 0.02 0.00 0.00 177.57 178.20 1xmd h PHE 294 N 0.28 0.85 -0.16 1.57 0.04 -1.39 -0.14 116.94 117.98 1xmd h PHE 294 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1xmd h PHE 294 Cb 0.70 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1xmd h PHE 294 CO 0.07 0.50 0.11 0.93 -0.60 0.00 0.00 178.31 179.31 1xmd h GLU 295 N 0.89 0.21 0.00 1.51 5.08 -1.18 0.11 114.58 121.21 1xmd h GLU 295 Ca 0.28 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1xmd h GLU 295 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1xmd h GLU 295 CO -0.10 0.15 -0.28 0.52 -1.00 0.00 0.00 179.01 178.30 1xmd h MET 296 N 0.21 0.00 0.05 2.33 2.86 -1.08 0.99 114.93 120.30 1xmd h MET 296 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1xmd h MET 296 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1xmd h MET 296 CO -0.01 0.28 -0.02 1.25 1.06 0.00 0.00 176.91 179.46 1xmd h LEU 297 N 0.00 -0.06 -0.60 1.22 5.85 -0.60 -1.60 115.31 119.53 1xmd h LEU 297 Ca -0.00 -0.55 -0.12 0.00 0.84 0.00 0.00 57.88 58.05 1xmd h LEU 297 Cb 0.83 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1xmd h LEU 297 CO 0.04 0.55 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.44 1xmd h LEU 298 N -0.70 0.94 0.00 2.25 3.38 -0.76 -3.41 115.31 117.00 1xmd h LEU 298 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xmd h LEU 298 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xmd h LEU 298 CO 0.01 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1xmd n GLY 299 N -0.22 0.62 7.00 0.83 0.00 0.34 -4.79 105.19 108.97 1xmd n GLY 299 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xmd n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmd n GLY 300 N 4.01 -1.09 3.32 -0.02 0.00 -0.60 -4.62 105.19 106.19 1xmd n GLY 300 Ca 0.00 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 1xmd n GLY 300 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xmd s ASP 301 N -4.00 6.05 0.60 1.61 2.15 -1.26 -4.92 116.67 116.90 1xmd s ASP 301 Ca 0.00 -1.63 0.40 0.00 0.43 0.00 0.00 52.55 51.74 1xmd s ASP 301 Cb 0.00 -2.15 2.16 0.00 -0.30 0.00 0.00 42.92 42.63 1xmd s ASP 301 CO 0.00 -0.74 2.22 1.55 -0.17 0.00 0.00 175.17 178.03 1xmd h PRO 302 N 8.74 0.00 0.00 4.34 0.13 -1.93 -2.32 132.00 140.96 1xmd h PRO 302 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xmd h PRO 302 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xmd h PRO 302 CO 0.94 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.37 1xmd h SER 303 N 0.00 0.00 0.00 1.44 4.64 -1.89 -1.73 113.55 116.01 1xmd h SER 303 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1xmd h SER 303 Cb 0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1xmd h SER 303 CO 0.00 0.00 -0.32 1.33 -0.87 0.00 0.00 176.83 176.97 1xmd n VAL 304 N -2.32 1.33 -5.06 0.95 0.24 -0.87 -3.78 118.33 108.81 1xmd n VAL 304 Ca -0.01 -1.82 -0.31 0.00 -2.04 0.00 0.00 64.34 60.17 1xmd n VAL 304 Cb 0.09 0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.37 1xmd n VAL 304 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xmd s ARG 305 N -2.00 2.11 -0.66 7.34 1.81 -0.67 -4.63 118.95 122.25 1xmd s ARG 305 Ca 0.26 -0.93 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1xmd s ARG 305 Cb 0.24 -2.11 0.16 0.00 -0.45 0.00 0.00 34.95 32.80 1xmd s ARG 305 CO -0.02 0.56 0.45 -0.46 -0.68 0.00 0.00 175.30 175.16 1xmd s TRP 306 N -0.72 3.47 0.53 -0.53 -0.11 -1.26 -4.37 118.94 115.95 1xmd s TRP 306 Ca 0.11 -3.15 0.31 0.00 1.22 0.00 0.00 56.10 54.59 1xmd s TRP 306 Cb -0.10 -2.90 1.46 0.00 -1.50 0.00 0.00 33.47 30.43 1xmd s TRP 306 CO 0.01 -0.68 1.87 0.78 -4.62 0.00 0.00 176.95 174.31 1xmd h GLY 307 N 6.07 0.08 2.00 5.86 0.00 -1.84 -1.05 103.07 114.19 1xmd h GLY 307 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xmd h GLY 307 CO 0.73 -0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.71 1xmd h ASP 308 N 0.03 0.00 -3.91 0.19 3.32 -1.88 -3.40 116.42 110.78 1xmd h ASP 308 Ca 0.45 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.98 1xmd h ASP 308 Cb 1.76 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.38 1xmd h ASP 308 CO -0.02 0.00 0.61 -0.75 -1.72 0.00 0.00 179.24 177.36 1xmd s LYS 309 N -3.46 4.20 0.39 3.56 2.47 -0.40 -1.15 119.74 125.35 1xmd s LYS 309 Ca 0.04 2.15 0.17 0.00 -1.56 0.00 0.00 55.97 56.77 1xmd s LYS 309 Cb 0.08 -2.93 0.79 0.00 -1.46 0.00 0.00 37.83 34.31 1xmd s LYS 309 CO 0.56 -0.29 1.81 0.66 0.16 0.00 0.00 175.35 178.24 1xmd h SER 310 N 3.08 0.00 -2.61 1.43 4.64 -1.78 -2.87 113.55 115.45 1xmd h SER 310 Ca -0.49 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.47 1xmd h SER 310 Cb 1.23 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.95 1xmd h SER 310 CO 0.64 0.36 -0.66 -0.47 -0.87 0.00 0.00 176.83 175.83 1xmd s TYR 311 N -3.89 -0.17 -0.32 4.77 5.04 -1.26 -3.41 117.35 118.11 1xmd s TYR 311 Ca -0.01 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 1xmd s TYR 311 Cb 0.13 -0.46 0.08 0.00 0.35 0.00 0.00 41.96 42.06 1xmd s TYR 311 CO 0.69 -0.62 0.02 1.21 -1.34 0.00 0.00 175.55 175.51 1xmd s ASN 312 N 2.28 4.78 0.04 4.32 3.04 -0.76 -2.59 114.94 126.05 1xmd s ASN 312 Ca 0.06 -1.75 -0.30 0.00 0.04 0.00 0.00 52.86 50.91 1xmd s ASN 312 Cb -0.16 -1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 37.86 1xmd s ASN 312 CO -0.14 -0.33 0.99 -0.22 -3.04 0.00 0.00 177.10 174.36 1xmd s LEU 313 N 1.06 4.42 -0.14 3.21 0.20 0.84 -1.75 118.68 126.52 1xmd s LEU 313 Ca 0.02 1.73 -0.01 0.00 0.69 0.00 0.00 54.13 56.56 1xmd s LEU 313 Cb -0.20 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 41.97 1xmd s LEU 313 CO -0.05 -0.20 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.06 1xmd s ILE 314 N 0.64 3.16 -0.22 6.68 -1.09 0.14 -0.30 121.20 130.21 1xmd s ILE 314 Ca 0.51 -0.62 -0.03 0.00 -2.23 0.00 0.00 60.65 58.27 1xmd s ILE 314 Cb -0.22 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1xmd s ILE 314 CO 0.29 0.52 -0.06 -0.55 -1.23 0.00 0.00 174.94 173.90 1xmd s SER 315 N 0.41 4.17 0.29 3.58 0.15 0.95 -1.62 113.70 121.63 1xmd s SER 315 Ca -0.09 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.13 1xmd s SER 315 Cb -0.16 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1xmd s SER 315 CO 0.05 -0.02 0.47 -0.36 1.20 0.00 0.00 173.24 174.58 1xmd s PHE 316 N 1.45 3.48 0.52 3.44 0.40 -0.24 -0.35 117.98 126.69 1xmd s PHE 316 Ca 0.06 0.26 0.37 0.00 -0.60 0.00 0.00 56.93 57.01 1xmd s PHE 316 Cb -0.14 -1.81 1.97 0.00 0.51 0.00 0.00 43.02 43.55 1xmd s PHE 316 CO -0.04 0.25 2.24 0.00 0.70 0.00 0.00 175.22 178.36 1xmd h ALA 317 N 1.10 1.17 -0.54 5.36 0.00 -1.12 -2.65 119.26 122.58 1xmd h ALA 317 Ca -0.50 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1xmd h ALA 317 Cb 1.22 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1xmd h ALA 317 CO 0.62 0.03 0.08 0.27 0.00 0.00 0.00 179.25 180.26 1xmd n ASN 318 N -3.36 4.78 -0.18 0.00 6.94 -1.26 -3.62 115.26 118.56 1xmd n ASN 318 Ca -0.02 -2.87 -0.02 0.00 -0.02 0.00 0.00 54.58 51.64 1xmd n ASN 318 Cb 0.14 -0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 36.87 1xmd n ASN 318 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xmd n GLY 319 N 0.31 0.57 3.90 4.83 0.00 -1.00 0.05 105.19 113.86 1xmd n GLY 319 Ca 0.27 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1xmd n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xmd s ILE 320 N -2.01 5.33 0.19 -0.61 -1.09 -1.26 -4.86 121.20 116.90 1xmd s ILE 320 Ca 0.00 -0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 1xmd s ILE 320 Cb 0.00 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1xmd s ILE 320 CO 0.00 0.21 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.48 1xmd s PHE 321 N -1.46 1.45 0.28 3.97 0.08 -1.26 -1.08 117.98 119.96 1xmd s PHE 321 Ca 0.33 -0.77 -0.20 0.00 0.12 0.00 0.00 56.93 56.41 1xmd s PHE 321 Cb -0.13 -0.76 0.05 0.00 -0.57 0.00 0.00 43.02 41.61 1xmd s PHE 321 CO 0.23 0.10 0.85 0.20 -0.10 0.00 0.00 175.22 176.50 1xmd s GLY 322 N -3.24 0.11 0.02 4.36 0.00 -0.64 -0.55 107.32 107.37 1xmd s GLY 322 Ca 0.21 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.54 1xmd s GLY 322 CO 0.04 0.32 -0.09 0.00 0.00 0.00 0.00 173.10 173.38 1xmd s ASP 326 N -0.25 6.72 0.20 0.00 2.15 -1.08 -1.24 116.67 123.17 1xmd s ASP 326 Ca 0.03 2.41 0.25 0.00 0.43 0.00 0.00 52.55 55.68 1xmd s ASP 326 Cb -0.04 -2.58 0.66 0.00 -0.30 0.00 0.00 42.92 40.66 1xmd s ASP 326 CO -0.00 -0.75 1.65 -0.74 -0.17 0.00 0.00 175.17 175.16 1xmd h HIS 327 N 7.18 0.00 0.20 -5.34 -0.00 -1.82 -3.39 115.15 111.98 1xmd h HIS 327 Ca -0.42 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1xmd h HIS 327 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1xmd h HIS 327 CO 0.69 0.00 -0.21 0.00 -0.00 0.00 0.00 177.93 178.40 1xmd h ALA 328 N 2.48 -0.42 0.00 5.26 0.00 -1.93 -3.25 119.26 121.39 1xmd h ALA 328 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xmd h ALA 328 Cb 0.76 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xmd h ALA 328 CO 0.00 -0.77 -0.03 -1.00 0.00 0.00 0.00 179.25 177.45 1xmd h PRO 329 N -0.45 0.00 -2.62 0.00 0.13 -1.98 -3.47 132.00 123.61 1xmd h PRO 329 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.26 1xmd h PRO 329 Cb 0.43 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.48 1xmd h PRO 329 CO -0.06 0.03 0.37 1.52 -0.23 0.00 0.00 178.00 179.63 1xmd s TYR 330 N -3.38 -0.18 0.59 1.56 1.13 -1.23 -4.91 117.35 110.93 1xmd s TYR 330 Ca 0.05 -0.17 0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1xmd s TYR 330 Cb 0.07 0.66 0.08 0.00 -1.10 0.00 0.00 41.96 41.67 1xmd s TYR 330 CO 0.63 -0.97 0.82 -0.51 -2.51 0.00 0.00 175.55 173.00 1xmd s ASP 331 N -2.90 4.97 0.42 -0.18 1.01 -1.26 -4.61 116.67 114.11 1xmd s ASP 331 Ca 0.11 -0.56 0.09 0.00 0.71 0.00 0.00 52.55 52.89 1xmd s ASP 331 Cb -0.03 -0.04 0.89 0.00 1.01 0.00 0.00 42.92 44.75 1xmd s ASP 331 CO 0.03 -1.40 2.04 0.00 0.21 0.00 0.00 175.17 176.05 1xmd h ALA 332 N 0.02 1.70 -0.73 5.23 0.00 -1.98 -3.29 119.26 120.22 1xmd h ALA 332 Ca -0.34 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.67 1xmd h ALA 332 Cb 1.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1xmd h ALA 332 CO 0.42 0.25 0.50 0.52 0.00 0.00 0.00 179.25 180.94 1xmd h MET 333 N 0.42 0.25 -0.21 0.00 2.86 -1.95 -0.23 114.93 116.06 1xmd h MET 333 Ca 0.11 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1xmd h MET 333 Cb 0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1xmd h MET 333 CO -0.02 0.16 0.06 0.28 1.06 0.00 0.00 176.91 178.46 1xmd h VAL 334 N 0.26 1.20 -0.24 -2.22 2.07 -1.95 -1.43 116.25 113.93 1xmd h VAL 334 Ca 0.36 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1xmd h VAL 334 Cb 1.03 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1xmd h VAL 334 CO -0.08 0.20 -0.28 0.58 0.02 0.00 0.00 177.57 178.01 1xmd h VAL 335 N 0.16 1.27 -0.75 2.57 2.07 -1.40 -2.25 116.25 117.93 1xmd h VAL 335 Ca 0.07 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1xmd h VAL 335 Cb 0.25 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1xmd h VAL 335 CO -0.00 0.41 0.38 0.58 0.02 0.00 0.00 177.57 178.96 1xmd h VAL 336 N 0.41 1.23 -0.31 2.57 2.07 -0.88 -0.87 116.25 120.46 1xmd h VAL 336 Ca 0.06 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 1xmd h VAL 336 Cb 0.70 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xmd h VAL 336 CO 0.05 0.27 -0.14 0.78 0.02 0.00 0.00 177.57 178.55 1xmd h ASN 337 N 1.05 0.67 -0.24 0.57 2.35 -0.70 -0.64 115.58 118.63 1xmd h ASN 337 Ca 0.26 -0.40 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 1xmd h ASN 337 Cb 0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1xmd h ASN 337 CO -0.04 0.92 -0.36 -0.29 -1.65 0.00 0.00 177.43 176.01 1xmd h ILE 338 N 0.41 1.28 -0.78 2.81 2.10 -1.26 -0.31 117.51 121.76 1xmd h ILE 338 Ca 0.07 -1.53 -0.02 0.00 1.08 0.00 0.00 64.86 64.46 1xmd h ILE 338 Cb 0.66 1.41 -0.04 0.00 -1.09 0.00 0.00 36.82 37.77 1xmd h ILE 338 CO 0.04 0.50 0.39 0.00 -1.08 0.00 0.00 178.15 178.01 1xmd h ALA 339 N 0.95 1.23 -0.36 0.18 0.00 -1.09 0.16 119.26 120.33 1xmd h ALA 339 Ca 0.06 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1xmd h ALA 339 Cb 0.91 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xmd h ALA 339 CO 0.08 0.60 -0.25 1.25 0.00 0.00 0.00 179.25 180.94 1xmd h HIS 340 N 1.10 0.93 -0.34 0.00 -0.00 -0.89 -0.09 115.15 115.87 1xmd h HIS 340 Ca 0.27 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1xmd h HIS 340 Cb 0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1xmd h HIS 340 CO 0.01 1.02 0.18 -0.92 -0.00 0.00 0.00 177.93 178.22 1xmd h TYR 341 N 0.58 0.34 -0.75 5.26 3.20 -0.52 0.54 116.97 125.62 1xmd h TYR 341 Ca 0.07 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1xmd h TYR 341 Cb 0.81 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 1xmd h TYR 341 CO 0.06 0.19 0.28 0.28 -1.64 0.00 0.00 178.16 177.33 1xmd h VAL 342 N 0.37 1.26 -0.70 1.81 2.07 -0.88 -1.42 116.25 118.76 1xmd h VAL 342 Ca 0.14 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1xmd h VAL 342 Cb 0.03 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1xmd h VAL 342 CO -0.08 0.34 0.38 -0.78 0.02 0.00 0.00 177.57 177.44 1xmd h ASP 343 N 1.10 0.87 0.60 0.57 3.58 -0.28 -0.74 116.42 122.12 1xmd h ASP 343 Ca 0.25 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 1xmd h ASP 343 Cb 0.24 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1xmd h ASP 343 CO -0.02 0.72 -0.29 -0.33 -2.88 0.00 0.00 179.24 176.44 1xmd h GLU 344 N 0.96 0.00 -0.16 0.28 4.39 -0.53 -1.44 114.58 118.08 1xmd h GLU 344 Ca 0.24 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.73 1xmd h GLU 344 Cb 0.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1xmd h GLU 344 CO -0.04 0.29 -0.75 0.00 -1.16 0.00 0.00 179.01 177.35 1xmd h ARG 345 N 0.00 0.76 -0.49 2.33 2.47 -0.35 -0.07 114.38 119.04 1xmd h ARG 345 Ca -0.00 -0.60 -0.09 0.00 -1.26 0.00 0.00 59.98 58.02 1xmd h ARG 345 Cb 0.68 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 1xmd h ARG 345 CO 0.04 1.22 -0.04 0.28 0.56 0.00 0.00 179.97 182.02 1xmd h VAL 346 N 0.52 1.27 -0.28 2.04 2.07 -0.83 -1.84 116.25 119.20 1xmd h VAL 346 Ca -0.04 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1xmd h VAL 346 Cb 1.37 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1xmd h VAL 346 CO 0.15 0.40 0.08 -0.07 0.02 0.00 0.00 177.57 178.15 1xmd h LEU 347 N 0.74 0.41 -1.05 2.57 3.38 -1.24 0.38 115.31 120.50 1xmd h LEU 347 Ca 0.13 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1xmd h LEU 347 Cb 0.57 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1xmd h LEU 347 CO 0.03 0.52 0.63 -0.08 0.09 0.00 0.00 178.44 179.64 1xmd h GLU 348 N 0.29 1.15 -0.65 1.13 4.81 -0.89 -2.58 114.58 117.84 1xmd h GLU 348 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xmd h GLU 348 Cb 0.26 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xmd h GLU 348 CO -0.00 0.76 0.00 0.25 -0.73 0.00 0.00 179.01 179.29 1xmd n THR 349 N -4.46 0.86 -2.32 0.32 -2.24 -0.70 -4.93 114.28 100.81 1xmd n THR 349 Ca 0.14 -0.90 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 1xmd n THR 349 Cb 0.13 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 1xmd n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xmd n GLU 350 N 1.50 -1.79 -1.43 -0.78 1.02 -0.41 -1.49 120.64 117.26 1xmd n GLU 350 Ca 0.23 0.92 -0.10 0.00 -0.02 0.00 0.00 57.16 58.19 1xmd n GLU 350 Cb 0.58 -5.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.43 1xmd n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmd n GLY 351 N -0.90 0.93 3.27 0.62 0.00 0.12 -4.95 105.19 104.28 1xmd n GLY 351 Ca -0.22 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1xmd n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmd s ARG 352 N -3.09 1.19 -0.34 1.61 0.52 -0.55 -5.04 118.95 113.24 1xmd s ARG 352 Ca 0.00 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.50 1xmd s ARG 352 Cb 0.00 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.09 1xmd s ARG 352 CO 0.00 -0.13 0.23 -0.46 0.02 0.00 0.00 175.30 174.97 1xmd s TRP 353 N -3.59 3.22 -1.29 -0.53 -0.11 -1.26 -4.81 118.94 110.57 1xmd s TRP 353 Ca 0.26 -0.31 0.17 0.00 1.22 0.00 0.00 56.10 57.44 1xmd s TRP 353 Cb 0.06 -2.47 0.53 0.00 -1.50 0.00 0.00 33.47 30.10 1xmd s TRP 353 CO 0.06 -0.40 1.45 1.63 -4.62 0.00 0.00 176.95 175.07 1xmd n LYS 354 N 5.09 3.01 -0.45 5.86 5.02 -1.26 -4.98 118.16 130.45 1xmd n LYS 354 Ca -0.13 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 1xmd n LYS 354 Cb 0.49 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1xmd n LYS 354 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmd n GLY 355 N 0.98 1.15 3.78 0.72 0.00 -1.26 -5.04 105.19 105.51 1xmd n GLY 355 Ca 0.20 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1xmd n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xmd s SER 356 N -1.00 6.36 0.00 1.61 0.15 -1.26 -4.90 113.70 114.66 1xmd s SER 356 Ca 0.00 3.03 0.25 0.00 0.70 0.00 0.00 55.95 59.93 1xmd s SER 356 Cb 0.00 -2.66 0.90 0.00 -1.71 0.00 0.00 66.02 62.55 1xmd s SER 356 CO 0.00 -0.87 1.65 -0.62 1.20 0.00 0.00 173.24 174.60 1xmd n GLU 357 N 0.64 1.71 -1.91 5.44 1.02 -1.26 -4.77 120.64 121.50 1xmd n GLU 357 Ca 0.02 -1.05 -0.41 0.00 -0.02 0.00 0.00 57.16 55.69 1xmd n GLU 357 Cb 0.39 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 1xmd n GLU 357 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xmd s LYS 358 N -1.90 4.20 -0.32 3.49 2.20 -1.26 -4.91 119.74 121.24 1xmd s LYS 358 Ca 0.35 2.43 0.02 0.00 -0.36 0.00 0.00 55.97 58.41 1xmd s LYS 358 Cb 0.19 -3.05 0.08 0.00 -1.51 0.00 0.00 37.83 33.54 1xmd s LYS 358 CO 0.30 -0.48 0.03 0.08 -0.36 0.00 0.00 175.35 174.92 1xmd s VAL 359 N -0.33 2.55 0.91 4.02 1.01 -1.26 -4.65 120.40 122.65 1xmd s VAL 359 Ca 0.58 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 1xmd s VAL 359 Cb -0.44 -2.69 0.14 0.00 0.00 0.00 0.00 36.38 33.39 1xmd s VAL 359 CO 0.49 -0.39 1.10 -0.13 0.00 0.00 0.00 175.10 176.18 1xmd s ARG 360 N 1.06 1.10 -1.27 2.72 0.52 -1.26 -4.89 118.95 116.93 1xmd s ARG 360 Ca 0.03 1.09 -0.18 0.00 -0.52 0.00 0.00 55.73 56.15 1xmd s ARG 360 Cb -0.20 -1.77 0.08 0.00 0.52 0.00 0.00 34.95 33.58 1xmd s ARG 360 CO -0.05 -2.43 1.69 0.34 0.02 0.00 0.00 175.30 174.87 1xmd s ASP 361 N -3.09 6.84 0.23 0.23 2.15 -1.26 -4.97 116.67 116.80 1xmd s ASP 361 Ca 0.64 -2.43 -0.05 0.00 0.43 0.00 0.00 52.55 51.14 1xmd s ASP 361 Cb -0.20 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.81 1xmd s ASP 361 CO 0.58 -1.15 0.49 0.27 -0.17 0.00 0.00 175.17 175.19 1xmd s ILE 362 N 4.00 5.07 0.56 4.11 -4.36 -1.26 -5.05 121.20 124.27 1xmd s ILE 362 Ca 0.52 0.06 -0.20 0.00 -0.26 0.00 0.00 60.65 60.77 1xmd s ILE 362 Cb 0.03 -3.69 -0.06 0.00 1.25 0.00 0.00 42.46 39.99 1xmd s ILE 362 CO 0.06 -0.17 0.97 -2.65 0.24 0.00 0.00 174.94 173.39 1xmd n PRO 363 N -0.52 1.01 -2.51 0.37 -0.02 -1.26 -4.96 135.00 127.11 1xmd n PRO 363 Ca -0.02 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 1xmd n PRO 363 Cb 0.53 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1xmd n PRO 363 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xmd s LEU 364 N -1.65 3.80 0.41 2.45 1.43 -1.26 -4.98 118.68 118.88 1xmd s LEU 364 Ca 0.73 1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 55.42 1xmd s LEU 364 Cb -0.44 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.13 1xmd s LEU 364 CO 0.50 -0.76 1.42 -2.65 0.23 0.00 0.00 176.35 175.08 1xmd n PRO 365 N -1.08 2.36 -3.69 1.29 -0.02 -1.26 -4.97 135.00 127.62 1xmd n PRO 365 Ca 0.09 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 1xmd n PRO 365 Cb 0.53 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1xmd n PRO 365 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1xmd s GLU 366 N -2.23 4.10 0.11 -0.52 2.02 -0.04 -4.91 118.70 117.22 1xmd s GLU 366 Ca 0.58 -0.11 -0.21 0.00 0.02 0.00 0.00 54.97 55.25 1xmd s GLU 366 Cb -0.48 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.29 1xmd s GLU 366 CO 0.60 0.35 0.63 -2.00 0.02 0.00 0.00 175.26 174.87 1xmd s GLU 367 N 0.18 4.30 -0.57 1.61 2.12 -1.26 -0.96 118.70 124.10 1xmd s GLU 367 Ca 0.11 0.85 -0.20 0.00 0.36 0.00 0.00 54.97 56.10 1xmd s GLU 367 Cb -0.12 -3.22 0.08 0.00 0.26 0.00 0.00 34.13 31.13 1xmd s GLU 367 CO 0.01 0.61 0.72 -0.51 -0.54 0.00 0.00 175.26 175.54 1xmd s LEU 368 N -1.18 5.11 -0.73 2.70 1.43 0.20 -4.97 118.68 121.24 1xmd s LEU 368 Ca 0.32 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 1xmd s LEU 368 Cb -0.20 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 43.77 1xmd s LEU 368 CO 0.21 -1.09 0.84 -0.69 0.23 0.00 0.00 176.35 175.85 1xmd s VAL 369 N 2.87 4.92 0.55 -1.59 1.01 -1.26 -4.46 120.40 122.44 1xmd s VAL 369 Ca 0.14 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 1xmd s VAL 369 Cb -0.22 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 1xmd s VAL 369 CO 0.09 -1.23 1.18 -0.36 0.00 0.00 0.00 175.10 174.78 1xmd s PHE 370 N 2.29 2.55 -0.24 5.22 0.40 -1.26 -5.00 117.98 121.95 1xmd s PHE 370 Ca 0.19 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.90 1xmd s PHE 370 Cb -0.16 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 39.91 1xmd s PHE 370 CO -0.00 -1.92 0.32 0.99 0.70 0.00 0.00 175.22 175.30 1xmd s THR 371 N -1.63 5.24 0.32 0.64 2.01 -1.26 -5.07 115.64 115.88 1xmd s THR 371 Ca 0.73 0.50 0.03 0.00 0.31 0.00 0.00 61.69 63.26 1xmd s THR 371 Cb -0.28 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1xmd s THR 371 CO 0.32 0.25 0.11 0.68 -0.69 0.00 0.00 174.62 175.29 1xmd s VAL 372 N 1.48 0.67 0.28 3.82 -7.23 -1.26 -4.84 120.40 113.32 1xmd s VAL 372 Ca 0.14 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1xmd s VAL 372 Cb -0.15 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1xmd s VAL 372 CO 0.08 0.00 0.29 -0.90 -0.31 0.00 0.00 175.10 174.25 1xmd n ASP 373 N -0.80 -0.75 -0.22 4.85 5.75 -1.26 -5.04 116.55 119.07 1xmd n ASP 373 Ca -0.01 -2.78 -0.00 0.00 -0.01 0.00 0.00 54.79 51.98 1xmd n ASP 373 Cb 0.66 1.62 0.11 0.00 -1.03 0.00 0.00 41.12 42.48 1xmd n ASP 373 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xmd h GLU 374 N 0.00 0.56 -0.01 0.11 4.81 -2.02 -2.06 114.58 115.98 1xmd h GLU 374 Ca -0.21 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1xmd h GLU 374 Cb 1.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1xmd h GLU 374 CO 0.29 0.37 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.70 1xmd h LYS 375 N 0.58 -0.05 -0.64 1.92 3.64 -1.99 -1.37 116.57 118.66 1xmd h LYS 375 Ca 0.31 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1xmd h LYS 375 Cb 0.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1xmd h LYS 375 CO -0.24 -0.03 0.39 0.82 -2.27 0.00 0.00 179.45 178.11 1xmd h ILE 376 N -0.05 1.06 -0.29 2.00 1.08 -1.91 0.19 117.51 119.59 1xmd h ILE 376 Ca 0.02 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1xmd h ILE 376 Cb 0.07 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1xmd h ILE 376 CO -0.04 0.14 0.13 -0.07 -0.69 0.00 0.00 178.15 177.62 1xmd h LEU 377 N 0.75 0.36 -0.25 1.44 3.38 -1.12 0.29 115.31 120.15 1xmd h LEU 377 Ca 0.26 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1xmd h LEU 377 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xmd h LEU 377 CO -0.12 0.32 -0.59 0.78 0.09 0.00 0.00 178.44 178.92 1xmd h ASN 378 N 0.41 0.96 -0.68 -0.43 2.35 -0.18 -2.10 115.58 115.91 1xmd h ASN 378 Ca 0.10 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1xmd h ASN 378 Cb 0.06 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1xmd h ASN 378 CO -0.01 1.34 0.38 0.44 -1.65 0.00 0.00 177.43 177.94 1xmd h ASP 379 N 0.62 0.86 -0.13 5.81 3.32 0.11 -1.76 116.42 125.25 1xmd h ASP 379 Ca -0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1xmd h ASP 379 Cb 1.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1xmd h ASP 379 CO 0.13 0.69 0.02 0.58 -1.72 0.00 0.00 179.24 178.94 1xmd h VAL 380 N 0.97 1.22 -0.68 -1.35 2.07 -0.87 0.31 116.25 117.92 1xmd h VAL 380 Ca 0.25 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1xmd h VAL 380 Cb 0.02 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1xmd h VAL 380 CO -0.04 0.20 0.39 0.28 0.02 0.00 0.00 177.57 178.42 1xmd h SER 381 N -0.01 0.58 -0.55 0.57 0.02 -1.06 0.14 113.55 113.24 1xmd h SER 381 Ca 0.04 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1xmd h SER 381 Cb 0.29 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1xmd h SER 381 CO 0.00 0.38 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.43 1xmd h GLN 382 N 0.72 1.02 -0.25 3.45 4.15 -1.22 -0.21 115.11 122.76 1xmd h GLN 382 Ca 0.30 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1xmd h GLN 382 Cb 0.18 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1xmd h GLN 382 CO -0.18 1.01 0.10 0.00 -1.93 0.00 0.00 178.83 177.84 1xmd h ALA 383 N 1.03 0.32 -0.48 3.38 0.00 -0.09 -0.63 119.26 122.78 1xmd h ALA 383 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xmd h ALA 383 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xmd h ALA 383 CO 0.03 -0.09 0.16 -0.22 0.00 0.00 0.00 179.25 179.13 1xmd h LYS 384 N 0.25 0.74 -0.29 0.00 3.64 -0.86 -2.40 116.57 117.64 1xmd h LYS 384 Ca 0.08 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1xmd h LYS 384 Cb 0.17 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1xmd h LYS 384 CO -0.01 0.70 0.14 0.00 -2.27 0.00 0.00 179.45 178.00 1xmd h ALA 385 N 1.01 0.38 -0.46 5.00 0.00 -0.82 -1.92 119.26 122.44 1xmd h ALA 385 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xmd h ALA 385 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xmd h ALA 385 CO -0.01 -0.06 0.05 -0.56 0.00 0.00 0.00 179.25 178.68 1xmd h GLN 386 N 0.33 0.72 -0.11 0.00 -0.00 -1.05 -1.48 115.11 113.52 1xmd h GLN 386 Ca 0.10 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1xmd h GLN 386 Cb 0.13 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.48 27.51 1xmd h GLN 386 CO -0.01 0.70 -0.01 1.25 -0.00 0.00 0.00 178.83 180.76 1xmd h HIS 387 N 0.68 0.22 -0.69 0.06 2.76 -1.29 -1.79 115.15 115.11 1xmd h HIS 387 Ca 0.14 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1xmd h HIS 387 Cb 0.35 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1xmd h HIS 387 CO 0.02 0.47 0.23 -0.07 -1.30 0.00 0.00 177.93 177.27 1xmd h LEU 388 N -0.09 0.99 -0.34 0.26 3.38 -1.21 -0.69 115.31 117.61 1xmd h LEU 388 Ca 0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1xmd h LEU 388 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xmd h LEU 388 CO 0.01 0.93 0.04 0.50 0.09 0.00 0.00 178.44 180.01 1xmd h LYS 389 N 1.00 0.56 -0.43 1.13 3.64 -1.26 -1.87 116.57 119.34 1xmd h LYS 389 Ca 0.22 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1xmd h LYS 389 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1xmd h LYS 389 CO -0.01 0.65 0.17 0.00 -2.27 0.00 0.00 179.45 177.99 1xmd h ALA 390 N 0.89 0.56 0.00 5.00 0.00 -1.18 -2.82 119.26 121.71 1xmd h ALA 390 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xmd h ALA 390 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xmd h ALA 390 CO 0.01 0.17 -0.29 0.00 0.00 0.00 0.00 179.25 179.14 1xmd h ALA 391 N 1.01 1.28 0.00 0.00 0.00 -1.09 -2.77 119.26 117.69 1xmd h ALA 391 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xmd h ALA 391 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xmd h ALA 391 CO -0.01 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.26 1xmd h SER 392 N 0.00 0.00 0.07 0.00 4.64 -1.06 -1.36 113.55 115.84 1xmd h SER 392 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmd h SER 392 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1xmd h SER 392 CO 0.04 0.00 -0.04 -0.67 -0.87 0.00 0.00 176.83 175.29 1xmd n ASP 393 N -2.58 0.92 -4.75 4.97 2.03 -1.04 -4.88 116.55 111.22 1xmd n ASP 393 Ca 0.00 -1.17 -0.40 0.00 0.52 0.00 0.00 54.79 53.73 1xmd n ASP 393 Cb 0.17 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 1xmd n ASP 393 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xmd s LEU 394 N -2.12 4.50 -0.19 -2.67 2.96 -0.51 -0.37 118.68 120.28 1xmd s LEU 394 Ca 0.38 1.60 -0.01 0.00 -0.22 0.00 0.00 54.13 55.88 1xmd s LEU 394 Cb 0.21 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.54 1xmd s LEU 394 CO 0.38 0.04 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.75 1xmd s GLN 395 N -0.30 3.22 -0.02 1.98 0.74 0.80 -4.85 119.66 121.23 1xmd s GLN 395 Ca 0.40 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 55.16 1xmd s GLN 395 Cb -0.22 -2.77 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1xmd s GLN 395 CO 0.26 -0.14 -0.23 0.42 -0.55 0.00 0.00 175.29 175.05 1xmd s ILE 396 N 1.23 2.35 -0.04 -2.34 -1.09 -1.26 -1.46 121.20 118.58 1xmd s ILE 396 Ca 0.02 -1.02 -0.02 0.00 -2.23 0.00 0.00 60.65 57.41 1xmd s ILE 396 Cb -0.14 -1.86 0.03 0.00 -1.58 0.00 0.00 42.46 38.91 1xmd s ILE 396 CO -0.05 0.57 0.05 0.00 -1.23 0.00 0.00 174.94 174.27 1xmd s ALA 397 N -0.66 0.26 -0.07 9.38 0.00 -0.32 -4.84 121.76 125.52 1xmd s ALA 397 Ca 0.11 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1xmd s ALA 397 Cb -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1xmd s ALA 397 CO -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 175.76 175.29 1xmd s ALA 398 N 2.07 0.75 0.15 0.00 0.00 -1.26 0.08 121.76 123.55 1xmd s ALA 398 Ca 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1xmd s ALA 398 Cb -0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1xmd s ALA 398 CO -0.03 -0.38 0.15 -1.12 0.00 0.00 0.00 175.76 174.38 1xmd s SER 399 N 1.77 0.19 -0.09 0.00 0.01 -0.71 -4.58 113.70 110.28 1xmd s SER 399 Ca 0.02 -1.11 0.01 0.00 1.31 0.00 0.00 55.95 56.18 1xmd s SER 399 Cb -0.13 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1xmd s SER 399 CO -0.05 -0.81 -0.11 -0.89 0.41 0.00 0.00 173.24 171.79 1xmd s THR 400 N -4.03 3.32 -0.46 1.44 2.01 -1.26 -1.55 115.64 115.11 1xmd s THR 400 Ca 0.24 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 1xmd s THR 400 Cb 0.06 -2.37 0.07 0.00 0.01 0.00 0.00 72.50 70.27 1xmd s THR 400 CO 0.03 0.56 0.36 0.12 -0.69 0.00 0.00 174.62 175.00 1xmd s PHE 401 N -0.25 3.26 -1.47 4.92 5.36 0.12 -4.95 117.98 124.98 1xmd s PHE 401 Ca 0.02 -1.00 0.25 0.00 -0.96 0.00 0.00 56.93 55.25 1xmd s PHE 401 Cb -0.13 -3.07 0.54 0.00 -0.34 0.00 0.00 43.02 40.02 1xmd s PHE 401 CO 0.03 -0.79 1.43 0.25 -1.46 0.00 0.00 175.22 174.68 1xmd n THR 402 N 5.15 0.00 -0.24 0.12 -2.24 -1.26 -1.82 114.28 113.98 1xmd n THR 402 Ca -0.12 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1xmd n THR 402 Cb 0.44 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 69.18 1xmd n THR 402 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xmd h SER 403 N 0.81 0.77 -5.10 3.42 0.02 -1.93 -3.46 113.55 108.09 1xmd h SER 403 Ca 0.00 -0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.09 1xmd h SER 403 Cb 0.52 -0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.77 1xmd h SER 403 CO 0.00 0.56 0.49 0.72 -1.14 0.00 0.00 176.83 177.46 1xmd s PHE 404 N -6.14 -0.21 0.00 3.45 -0.12 -1.24 -5.00 117.98 108.72 1xmd s PHE 404 Ca -0.13 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1xmd s PHE 404 Cb 0.14 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 43.13 1xmd s PHE 404 CO 0.77 -0.72 0.00 0.41 -0.05 0.00 0.00 175.22 175.63 1xmd n GLY 405 N -0.39 5.24 0.23 1.99 0.00 -1.16 -3.55 105.19 107.55 1xmd n GLY 405 Ca -0.07 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.55 1xmd n GLY 405 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xmd h LYS 406 N 0.00 0.00 0.00 1.61 2.10 -0.82 -3.12 116.57 116.34 1xmd h LYS 406 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xmd h LYS 406 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xmd h LYS 406 CO 0.00 0.12 -0.01 0.87 -2.00 0.00 0.00 179.45 178.43 1xmd h LYS 407 N 0.00 0.00 0.04 0.07 1.57 -1.51 -0.91 116.57 115.83 1xmd h LYS 407 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1xmd h LYS 407 Cb 0.86 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1xmd h LYS 407 CO 0.02 0.01 -1.81 -0.11 -0.57 0.00 0.00 179.45 176.98 1xmd n LEU 408 N -3.11 2.21 -0.08 2.94 0.00 -1.18 -3.46 117.00 114.32 1xmd n LEU 408 Ca -0.01 0.29 0.01 0.00 0.00 0.00 0.00 56.01 56.30 1xmd n LEU 408 Cb 0.20 -0.98 0.30 0.00 0.00 0.00 0.00 43.42 42.94 1xmd n LEU 408 CO 0.24 0.56 1.08 0.71 0.00 0.00 0.00 177.39 179.98 1xmd h THR 409 N -0.59 1.18 -0.08 1.96 1.35 -1.53 -2.06 112.91 113.13 1xmd h THR 409 Ca -0.45 -0.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.75 1xmd h THR 409 Cb 1.63 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1xmd h THR 409 CO -0.15 0.21 -0.53 0.11 -0.25 0.00 0.00 175.52 174.91 1xmd h LYS 410 N 0.71 0.24 0.00 4.72 1.57 -1.19 0.44 116.57 123.06 1xmd h LYS 410 Ca 0.17 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xmd h LYS 410 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1xmd h LYS 410 CO -0.02 0.71 0.00 0.93 -0.57 0.00 0.00 179.45 180.50 1xmd h GLU 411 N 0.18 0.00 -0.51 3.15 5.08 -1.41 -0.25 114.58 120.82 1xmd h GLU 411 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xmd h GLU 411 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1xmd h GLU 411 CO 0.08 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1xmd n GLU 412 N -2.59 3.37 -3.47 2.33 -0.58 -0.79 -4.95 120.64 113.96 1xmd n GLU 412 Ca 0.01 -2.69 -0.24 0.00 -0.42 0.00 0.00 57.16 53.82 1xmd n GLU 412 Cb 0.22 -1.73 0.06 0.00 -0.57 0.00 0.00 31.44 29.42 1xmd n GLU 412 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xmd n ALA 413 N 0.71 -1.21 -4.06 0.62 0.00 -0.11 -4.99 120.51 111.48 1xmd n ALA 413 Ca 0.22 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 1xmd n ALA 413 Cb 0.78 -4.96 -0.15 0.00 0.00 0.00 0.00 19.45 15.12 1xmd n ALA 413 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xmd s LEU 414 N -7.14 3.18 0.11 0.00 1.43 0.15 -4.98 118.68 111.44 1xmd s LEU 414 Ca 0.52 -1.23 -0.33 0.00 -1.03 0.00 0.00 54.13 52.07 1xmd s LEU 414 Cb -0.23 -1.54 -0.12 0.00 0.03 0.00 0.00 46.19 44.32 1xmd s LEU 414 CO 0.64 -0.15 1.76 1.57 0.23 0.00 0.00 176.35 180.40 1xmd n HIS 415 N 4.48 2.50 -0.36 0.29 -0.00 -1.26 -3.46 115.22 117.42 1xmd n HIS 415 Ca -0.16 0.01 0.04 0.00 -0.00 0.00 0.00 57.72 57.62 1xmd n HIS 415 Cb 0.44 -2.66 0.20 0.00 -0.00 0.00 0.00 29.99 27.96 1xmd n HIS 415 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xmd h PRO 416 N 7.67 1.02 -0.08 1.57 0.13 -1.91 0.10 132.00 140.51 1xmd h PRO 416 Ca -0.46 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1xmd h PRO 416 Cb 1.24 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1xmd h PRO 416 CO 0.93 0.67 -0.00 0.22 -0.23 0.00 0.00 178.00 179.59 1xmd h ASP 417 N 1.05 0.13 -0.37 1.44 3.58 -2.00 -2.15 116.42 118.10 1xmd h ASP 417 Ca 0.45 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1xmd h ASP 417 Cb 0.32 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1xmd h ASP 417 CO -0.22 0.42 0.21 0.74 -2.88 0.00 0.00 179.24 177.51 1xmd h THR 418 N -0.16 1.13 0.23 2.25 2.02 -1.89 -1.17 112.91 115.32 1xmd h THR 418 Ca 0.02 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1xmd h THR 418 Cb 0.35 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1xmd h THR 418 CO 0.00 0.14 -0.11 0.15 0.37 0.00 0.00 175.52 176.07 1xmd h PHE 419 N 0.55 -0.29 -0.78 3.16 3.57 -0.77 -1.36 116.94 121.02 1xmd h PHE 419 Ca 0.14 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1xmd h PHE 419 Cb 0.02 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1xmd h PHE 419 CO 0.00 -0.17 0.29 0.82 -2.23 0.00 0.00 178.31 177.02 1xmd h ILE 420 N -0.32 1.26 -0.54 1.41 2.04 -0.95 -1.09 117.51 119.32 1xmd h ILE 420 Ca -0.03 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1xmd h ILE 420 Cb 0.25 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1xmd h ILE 420 CO 0.05 0.34 0.24 1.56 0.00 0.00 0.00 178.15 180.34 1xmd h GLN 421 N 1.14 0.80 -0.06 2.37 1.08 -1.04 -0.22 115.11 119.18 1xmd h GLN 421 Ca 0.26 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 57.17 1xmd h GLN 421 Cb 0.25 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1xmd h GLN 421 CO -0.02 0.68 -0.64 -0.07 -0.95 0.00 0.00 178.83 177.83 1xmd h LEU 422 N 0.74 0.28 -0.83 1.46 3.38 -1.11 -1.94 115.31 117.29 1xmd h LEU 422 Ca 0.18 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xmd h LEU 422 Cb 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xmd h LEU 422 CO -0.02 0.84 0.10 0.00 0.09 0.00 0.00 178.44 179.46 1xmd h ALA 423 N 1.16 1.04 -0.67 1.53 0.00 -0.92 -1.48 119.26 119.90 1xmd h ALA 423 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xmd h ALA 423 Cb 1.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xmd h ALA 423 CO 0.10 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.40 1xmd h LEU 424 N 0.93 1.01 -0.37 0.00 5.85 -0.73 0.12 115.31 122.12 1xmd h LEU 424 Ca 0.19 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xmd h LEU 424 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1xmd h LEU 424 CO 0.01 0.96 0.22 1.56 -0.34 0.00 0.00 178.44 180.86 1xmd h GLN 425 N 1.00 0.44 -0.35 1.25 1.08 -0.90 -0.28 115.11 117.35 1xmd h GLN 425 Ca 0.21 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1xmd h GLN 425 Cb 0.34 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1xmd h GLN 425 CO -0.00 0.29 0.07 1.25 -0.95 0.00 0.00 178.83 179.50 1xmd h LEU 426 N 0.46 0.54 -0.89 1.46 5.85 -0.86 -0.04 115.31 121.83 1xmd h LEU 426 Ca 0.14 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1xmd h LEU 426 Cb -0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1xmd h LEU 426 CO -0.05 0.65 0.59 0.00 -0.34 0.00 0.00 178.44 179.28 1xmd h ALA 427 N 0.92 1.15 -0.22 1.25 0.00 -0.56 -0.22 119.26 121.59 1xmd h ALA 427 Ca 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1xmd h ALA 427 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xmd h ALA 427 CO 0.00 0.49 -0.48 -0.92 0.00 0.00 0.00 179.25 178.35 1xmd h TYR 428 N 1.18 0.90 -0.90 0.00 5.03 -0.85 -0.97 116.97 121.36 1xmd h TYR 428 Ca 0.34 -0.34 0.01 0.00 2.58 0.00 0.00 58.73 61.33 1xmd h TYR 428 Cb -0.08 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 37.99 1xmd h TYR 428 CO -0.01 1.12 0.59 -0.92 -1.32 0.00 0.00 178.16 177.63 1xmd h TYR 429 N 0.43 1.12 -0.14 -3.82 5.03 -0.66 0.18 116.97 119.11 1xmd h TYR 429 Ca 0.00 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.17 1xmd h TYR 429 Cb 1.09 -0.38 0.01 0.00 1.55 0.00 0.00 36.73 38.99 1xmd h TYR 429 CO 0.09 0.70 -0.56 0.00 -1.32 0.00 0.00 178.16 177.07 1xmd h ARG 430 N 1.21 0.62 -0.27 1.82 3.08 -1.01 -0.77 114.38 119.06 1xmd h ARG 430 Ca 0.33 -0.48 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1xmd h ARG 430 Cb -0.13 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1xmd h ARG 430 CO -0.08 1.10 -0.58 1.25 -1.07 0.00 0.00 179.97 180.60 1xmd h LEU 431 N 0.27 0.96 -1.53 3.04 5.85 -0.96 -3.34 115.31 119.60 1xmd h LEU 431 Ca -0.03 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1xmd h LEU 431 Cb 1.19 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1xmd h LEU 431 CO 0.12 1.33 -0.01 1.41 -0.34 0.00 0.00 178.44 180.95 1xmd n HIS 432 N -3.99 0.00 -1.39 1.25 8.25 0.03 -5.01 115.22 114.36 1xmd n HIS 432 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 1xmd n HIS 432 Cb 0.64 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.71 1xmd n HIS 432 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xmd n GLY 433 N 0.80 1.15 3.50 -1.41 0.00 -0.30 -4.99 105.19 103.94 1xmd n GLY 433 Ca 0.08 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1xmd n GLY 433 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xmd s ARG 434 N -3.06 1.08 0.21 1.61 1.70 -1.20 -5.03 118.95 114.25 1xmd s ARG 434 Ca 0.00 -0.43 -0.31 0.00 -0.47 0.00 0.00 55.73 54.53 1xmd s ARG 434 Cb 0.00 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1xmd s ARG 434 CO 0.00 -0.48 1.47 -2.14 -1.08 0.00 0.00 175.30 173.07 1xmd s PRO 435 N -3.43 4.26 -0.41 3.89 0.02 -1.26 -3.93 135.00 134.15 1xmd s PRO 435 Ca 0.04 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.19 1xmd s PRO 435 Cb -0.01 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.38 1xmd s PRO 435 CO -0.09 -0.47 0.35 0.20 -0.33 0.00 0.00 177.00 176.65 1xmd s GLY 436 N 0.68 1.96 0.10 0.52 0.00 -1.26 -5.03 107.32 104.29 1xmd s GLY 436 Ca 0.63 -1.62 -0.33 0.00 0.00 0.00 0.00 44.72 43.41 1xmd s GLY 436 CO 0.38 1.00 1.75 0.00 0.00 0.00 0.00 173.10 176.23 1xmd s TYR 439 N -0.43 2.99 -0.09 0.00 6.14 0.62 -3.07 117.35 123.51 1xmd s TYR 439 Ca 0.06 -0.76 0.03 0.00 0.64 0.00 0.00 57.07 57.05 1xmd s TYR 439 Cb -0.09 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 40.17 1xmd s TYR 439 CO -0.00 -0.46 -0.20 -2.00 0.64 0.00 0.00 175.55 173.53 1xmd s GLU 440 N 1.42 2.61 0.18 4.97 2.12 -0.15 -0.36 118.70 129.49 1xmd s GLU 440 Ca 0.05 -0.73 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 1xmd s GLU 440 Cb -0.14 -2.02 -0.09 0.00 0.26 0.00 0.00 34.13 32.14 1xmd s GLU 440 CO -0.01 0.12 1.39 0.99 -0.54 0.00 0.00 175.26 177.21 1xmd s THR 441 N 0.47 3.06 -0.11 -1.70 2.01 -0.98 -0.83 115.64 117.57 1xmd s THR 441 Ca -0.17 0.82 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1xmd s THR 441 Cb -0.17 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1xmd s THR 441 CO 0.07 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 173.92 1xmd s ALA 442 N 0.51 1.83 0.18 7.40 0.00 -0.73 -4.77 121.76 126.19 1xmd s ALA 442 Ca 0.61 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 1xmd s ALA 442 Cb -0.39 -0.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.83 1xmd s ALA 442 CO 0.36 0.02 0.75 0.00 0.00 0.00 0.00 175.76 176.90 1xmd s MET 443 N 0.80 4.45 -0.34 0.00 0.23 -1.26 -0.61 119.30 122.57 1xmd s MET 443 Ca -0.10 1.05 0.06 0.00 -1.03 0.00 0.00 55.69 55.67 1xmd s MET 443 Cb -0.16 -3.12 0.46 0.00 -1.53 0.00 0.00 34.83 30.48 1xmd s MET 443 CO 0.01 0.51 1.35 0.25 -2.03 0.00 0.00 175.02 175.11 1xmd n THR 444 N 1.28 2.65 0.92 3.16 -2.24 -0.73 -4.43 114.28 114.89 1xmd n THR 444 Ca -0.05 -3.72 0.06 0.00 -2.27 0.00 0.00 64.05 58.07 1xmd n THR 444 Cb 0.50 -0.92 0.34 0.00 -2.10 0.00 0.00 70.33 68.15 1xmd n THR 444 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xmd n ARG 445 N -0.85 0.46 0.22 -0.78 1.74 -1.26 -2.00 116.66 114.19 1xmd n ARG 445 Ca 0.42 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.59 1xmd n ARG 445 Cb 0.90 -1.39 0.47 0.00 -1.02 0.00 0.00 32.46 31.42 1xmd n ARG 445 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xmd h TYR 446 N 0.00 0.00 -2.41 -1.55 0.05 -1.87 0.21 116.97 111.40 1xmd h TYR 446 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 1xmd h TYR 446 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1xmd h TYR 446 CO 0.00 0.27 -0.49 -0.06 -1.05 0.00 0.00 178.16 176.82 1xmd s PHE 447 N -3.81 3.31 -0.13 4.88 0.08 -0.85 -4.28 117.98 117.18 1xmd s PHE 447 Ca -0.01 -0.01 -0.36 0.00 0.12 0.00 0.00 56.93 56.68 1xmd s PHE 447 Cb 0.12 -1.54 -0.13 0.00 -0.57 0.00 0.00 43.02 40.90 1xmd s PHE 447 CO 0.65 0.50 1.84 0.98 -0.10 0.00 0.00 175.22 179.09 1xmd n TYR 448 N -0.88 2.26 -1.98 0.36 4.19 -0.25 -0.85 117.16 120.01 1xmd n TYR 448 Ca -0.08 0.13 -0.17 0.00 3.31 0.00 0.00 57.90 61.09 1xmd n TYR 448 Cb 0.56 -2.61 -0.04 0.00 0.49 0.00 0.00 39.34 37.74 1xmd n TYR 448 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1xmd n HIS 449 N 6.26 -0.73 -2.09 2.98 8.25 -1.26 -4.60 115.22 124.02 1xmd n HIS 449 Ca 0.23 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.28 1xmd n HIS 449 Cb 0.26 -3.21 -0.03 0.00 1.12 0.00 0.00 29.99 28.13 1xmd n HIS 449 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xmd s GLY 450 N -2.22 2.34 0.00 -1.41 0.00 -0.03 -4.92 107.32 101.08 1xmd s GLY 450 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1xmd s GLY 450 CO 0.00 2.21 0.00 0.54 0.00 0.00 0.00 173.10 175.85 1xmd n ARG 451 N 2.55 0.00 -4.12 2.90 1.74 -1.26 -4.09 116.66 114.38 1xmd n ARG 451 Ca 0.07 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1xmd n ARG 451 Cb 0.41 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.75 1xmd n ARG 451 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xmd s THR 452 N 0.00 0.14 0.07 0.55 -4.23 -1.26 -1.77 115.64 109.13 1xmd s THR 452 Ca 0.00 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1xmd s THR 452 Cb 0.00 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 1xmd s THR 452 CO 0.00 -0.63 -0.06 -0.70 -0.54 0.00 0.00 174.62 172.69 1xmd s GLU 453 N -4.00 0.66 -0.11 3.99 2.56 0.22 -4.85 118.70 117.16 1xmd s GLU 453 Ca 0.18 -1.08 -0.17 0.00 0.00 0.00 0.00 54.97 53.90 1xmd s GLU 453 Cb 0.07 -0.12 -0.04 0.00 2.00 0.00 0.00 34.13 36.04 1xmd s GLU 453 CO -0.02 -0.02 0.45 0.99 -0.56 0.00 0.00 175.26 176.10 1xmd s THR 454 N -2.82 5.18 -0.21 -1.70 2.01 -1.26 -1.76 115.64 115.08 1xmd s THR 454 Ca 0.02 0.89 -0.05 0.00 0.31 0.00 0.00 61.69 62.86 1xmd s THR 454 Cb -0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1xmd s THR 454 CO -0.04 0.36 0.01 -0.69 -0.69 0.00 0.00 174.62 173.57 1xmd s VAL 455 N 0.42 4.01 -0.87 3.82 1.01 -0.01 -4.71 120.40 124.06 1xmd s VAL 455 Ca 0.24 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1xmd s VAL 455 Cb -0.15 -2.82 0.18 0.00 0.00 0.00 0.00 36.38 33.59 1xmd s VAL 455 CO 0.10 0.42 0.93 -0.13 0.00 0.00 0.00 175.10 176.41 1xmd s ARG 456 N 1.08 3.61 0.60 2.72 0.52 -1.26 -0.97 118.95 125.25 1xmd s ARG 456 Ca 0.03 -2.17 0.31 0.00 -0.52 0.00 0.00 55.73 53.38 1xmd s ARG 456 Cb -0.14 -4.64 1.86 0.00 0.52 0.00 0.00 34.95 32.55 1xmd s ARG 456 CO 0.02 -1.50 2.23 0.77 0.02 0.00 0.00 175.30 176.84 1xmd h SER 457 N 8.22 0.00 -0.71 0.23 0.02 -1.93 -3.36 113.55 116.02 1xmd h SER 457 Ca 0.13 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.37 1xmd h SER 457 Cb 1.03 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 1xmd h SER 457 CO 0.90 0.00 2.50 0.00 -1.14 0.00 0.00 176.83 179.09 1xmd s THR 459 N 2.75 2.49 0.22 0.00 -4.23 -1.26 -4.84 115.64 110.77 1xmd s THR 459 Ca 0.47 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1xmd s THR 459 Cb 0.09 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 71.08 1xmd s THR 459 CO -0.02 -0.01 1.78 0.58 -0.54 0.00 0.00 174.62 176.42 1xmd h VAL 460 N -0.26 1.26 -0.73 2.29 2.07 -1.93 -1.29 116.25 117.66 1xmd h VAL 460 Ca -0.43 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1xmd h VAL 460 Cb 1.31 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1xmd h VAL 460 CO 0.56 0.34 0.35 -0.33 0.02 0.00 0.00 177.57 178.51 1xmd h GLU 461 N 1.12 1.05 -0.37 1.57 3.07 -1.94 -0.42 114.58 118.66 1xmd h GLU 461 Ca 0.25 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1xmd h GLU 461 Cb 0.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1xmd h GLU 461 CO -0.02 0.82 0.01 0.00 -1.40 0.00 0.00 179.01 178.43 1xmd h ALA 462 N 1.17 0.50 -0.65 3.43 0.00 -1.78 -2.09 119.26 119.85 1xmd h ALA 462 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xmd h ALA 462 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xmd h ALA 462 CO -0.03 0.26 0.13 0.28 0.00 0.00 0.00 179.25 179.88 1xmd h VAL 463 N 0.47 1.26 -0.85 0.00 2.07 -1.04 -0.42 116.25 117.73 1xmd h VAL 463 Ca 0.11 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1xmd h VAL 463 Cb 0.44 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1xmd h VAL 463 CO 0.02 0.37 0.53 0.03 0.02 0.00 0.00 177.57 178.53 1xmd h ARG 464 N 0.97 1.15 -0.06 1.57 3.08 -0.97 -0.48 114.38 119.65 1xmd h ARG 464 Ca 0.20 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1xmd h ARG 464 Cb 0.40 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1xmd h ARG 464 CO 0.01 0.80 0.00 2.35 -1.07 0.00 0.00 179.97 182.06 1xmd h TRP 465 N 1.17 0.10 -0.66 3.04 7.01 -1.08 -2.08 115.95 123.45 1xmd h TRP 465 Ca 0.31 -0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.40 1xmd h TRP 465 Cb -0.07 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 26.88 1xmd h TRP 465 CO -0.00 0.36 0.25 0.00 -2.79 0.00 0.00 178.44 176.25 1xmd h GLN 467 N 0.42 1.27 -0.17 0.00 4.20 -0.98 -2.32 115.11 117.53 1xmd h GLN 467 Ca 0.34 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 1xmd h GLN 467 Cb 0.46 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1xmd h GLN 467 CO -0.34 0.91 -0.24 0.66 -0.67 0.00 0.00 178.83 179.15 1xmd h SER 468 N 1.28 0.31 0.63 1.46 4.64 -0.44 -1.78 113.55 119.66 1xmd h SER 468 Ca 0.33 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1xmd h SER 468 Cb -0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1xmd h SER 468 CO -0.06 0.56 0.00 0.24 -0.87 0.00 0.00 176.83 176.71 1xmd h MET 469 N 0.28 0.00 -0.32 4.77 2.86 -0.58 -2.27 114.93 119.67 1xmd h MET 469 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1xmd h MET 469 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1xmd h MET 469 CO 0.04 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.05 1xmd n GLN 470 N -3.04 2.53 -3.58 1.72 1.13 -0.73 -4.97 117.38 110.44 1xmd n GLN 470 Ca -0.01 -1.96 -0.40 0.00 -1.94 0.00 0.00 57.00 52.70 1xmd n GLN 470 Cb 0.21 -1.28 -0.11 0.00 0.11 0.00 0.00 30.24 29.18 1xmd n GLN 470 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xmd s ASP 471 N -1.00 5.85 0.14 1.08 -1.08 -0.84 -4.97 116.67 115.85 1xmd s ASP 471 Ca 0.23 -0.49 0.15 0.00 -0.52 0.00 0.00 52.55 51.92 1xmd s ASP 471 Cb 0.12 -2.08 0.68 0.00 -1.46 0.00 0.00 42.92 40.18 1xmd s ASP 471 CO 0.17 -0.23 1.45 -0.81 0.52 0.00 0.00 175.17 176.27 1xmd n PRO 472 N 5.05 0.08 0.00 4.34 -0.04 -1.26 -1.03 135.00 142.14 1xmd n PRO 472 Ca -0.13 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1xmd n PRO 472 Cb 0.49 -1.70 0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1xmd n PRO 472 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xmd n SER 473 N -1.86 1.03 -4.63 3.54 7.64 -1.26 -4.88 113.62 113.21 1xmd n SER 473 Ca 0.01 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 1xmd n SER 473 Cb 0.11 0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1xmd n SER 473 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmd s ALA 474 N -2.79 3.61 0.80 -0.43 0.00 -0.20 -5.05 121.76 117.70 1xmd s ALA 474 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1xmd s ALA 474 Cb 0.18 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1xmd s ALA 474 CO 0.68 -0.96 1.09 -1.54 0.00 0.00 0.00 175.76 175.03 1xmd s SER 475 N 1.45 4.48 0.34 0.00 1.04 -1.26 -4.86 113.70 114.88 1xmd s SER 475 Ca 0.32 1.34 0.03 0.00 0.48 0.00 0.00 55.95 58.12 1xmd s SER 475 Cb -0.15 -2.08 0.61 0.00 0.10 0.00 0.00 66.02 64.49 1xmd s SER 475 CO 0.09 -1.98 1.94 -0.07 0.98 0.00 0.00 173.24 174.19 1xmd h LEU 476 N -1.10 0.63 -0.53 2.42 4.07 -1.98 -1.51 115.31 117.30 1xmd h LEU 476 Ca -0.47 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.34 1xmd h LEU 476 Cb 1.27 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1xmd h LEU 476 CO 0.59 0.56 -0.01 0.25 -1.08 0.00 0.00 178.44 178.75 1xmd h LEU 477 N 0.69 0.93 -0.69 1.67 5.85 -1.94 -0.60 115.31 121.22 1xmd h LEU 477 Ca 0.17 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1xmd h LEU 477 Cb 0.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1xmd h LEU 477 CO -0.02 1.01 0.20 -0.08 -0.34 0.00 0.00 178.44 179.22 1xmd h GLU 478 N 0.82 1.08 -0.56 1.25 4.81 -1.79 -1.14 114.58 119.05 1xmd h GLU 478 Ca 0.15 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1xmd h GLU 478 Cb 0.54 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1xmd h GLU 478 CO 0.03 0.94 -0.04 0.00 -0.73 0.00 0.00 179.01 179.21 1xmd h ARG 479 N 1.02 1.02 -0.48 1.92 3.08 -1.07 -1.00 114.38 118.88 1xmd h ARG 479 Ca 0.22 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1xmd h ARG 479 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1xmd h ARG 479 CO -0.00 1.03 0.10 0.37 -1.07 0.00 0.00 179.97 180.39 1xmd h GLN 480 N 0.90 0.77 -0.23 0.04 4.15 -0.90 -0.15 115.11 119.69 1xmd h GLN 480 Ca 0.15 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1xmd h GLN 480 Cb 0.59 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1xmd h GLN 480 CO 0.04 0.77 0.15 0.37 -1.93 0.00 0.00 178.83 178.22 1xmd h GLN 481 N 0.65 0.31 -0.10 1.69 5.75 -1.06 0.14 115.11 122.50 1xmd h GLN 481 Ca 0.15 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1xmd h GLN 481 Cb 0.35 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1xmd h GLN 481 CO 0.00 0.23 -0.33 0.87 -2.65 0.00 0.00 178.83 176.95 1xmd h LYS 482 N 0.30 0.19 -0.27 1.69 1.57 -1.05 -1.78 116.57 117.22 1xmd h LYS 482 Ca 0.08 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1xmd h LYS 482 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xmd h LYS 482 CO -0.02 0.51 -0.05 1.98 -0.57 0.00 0.00 179.45 181.30 1xmd h MET 483 N 0.17 0.52 -0.53 3.15 4.05 -0.53 -2.11 114.93 119.65 1xmd h MET 483 Ca 0.02 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1xmd h MET 483 Cb 0.68 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 1xmd h MET 483 CO 0.05 0.72 0.19 -0.07 0.23 0.00 0.00 176.91 178.03 1xmd h LEU 484 N 0.28 0.70 -1.04 3.39 3.38 -0.73 -0.39 115.31 120.89 1xmd h LEU 484 Ca 0.07 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1xmd h LEU 484 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1xmd h LEU 484 CO 0.02 0.64 -0.27 -0.33 0.09 0.00 0.00 178.44 178.60 1xmd h GLU 485 N 0.75 0.35 -0.37 1.13 5.08 -1.21 -0.86 114.58 119.45 1xmd h GLU 485 Ca 0.18 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1xmd h GLU 485 Cb 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xmd h GLU 485 CO -0.01 0.60 -0.38 0.00 -1.00 0.00 0.00 179.01 178.21 1xmd h ALA 486 N 1.41 0.62 -0.14 3.43 0.00 -0.56 -1.94 119.26 122.08 1xmd h ALA 486 Ca 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xmd h ALA 486 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xmd h ALA 486 CO 0.05 0.67 0.07 0.74 0.00 0.00 0.00 179.25 180.78 1xmd h PHE 487 N 0.73 0.20 -0.69 0.00 -1.00 -0.76 -1.06 116.94 114.35 1xmd h PHE 487 Ca 0.06 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.87 1xmd h PHE 487 Cb 0.97 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.42 1xmd h PHE 487 CO 0.06 0.23 0.43 0.00 -1.61 0.00 0.00 178.31 177.42 1xmd h ALA 488 N 0.95 0.91 -0.12 2.45 0.00 -1.09 -0.11 119.26 122.25 1xmd h ALA 488 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xmd h ALA 488 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xmd h ALA 488 CO -0.01 0.19 0.03 -0.22 0.00 0.00 0.00 179.25 179.25 1xmd h LYS 489 N 0.83 0.19 -0.69 0.00 1.63 -1.17 -2.43 116.57 114.94 1xmd h LYS 489 Ca 0.28 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1xmd h LYS 489 Cb 0.04 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1xmd h LYS 489 CO -0.12 0.34 0.33 1.25 -3.45 0.00 0.00 179.45 177.80 1xmd h HIS 490 N 0.00 1.00 -0.72 1.91 2.76 -0.84 -1.84 115.15 117.41 1xmd h HIS 490 Ca 0.04 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1xmd h HIS 490 Cb 0.23 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1xmd h HIS 490 CO 0.00 0.74 0.43 -0.91 -1.30 0.00 0.00 177.93 176.90 1xmd h ASN 491 N 0.96 0.87 -0.25 3.26 2.35 -0.97 -0.70 115.58 121.10 1xmd h ASN 491 Ca 0.24 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1xmd h ASN 491 Cb 0.13 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1xmd h ASN 491 CO -0.03 0.68 0.11 0.50 -1.65 0.00 0.00 177.43 177.05 1xmd h LYS 492 N 0.99 0.36 -0.25 0.81 3.64 -1.15 -1.38 116.57 119.58 1xmd h LYS 492 Ca 0.26 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1xmd h LYS 492 Cb -0.02 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1xmd h LYS 492 CO -0.05 0.38 0.02 0.52 -2.27 0.00 0.00 179.45 178.05 1xmd h MET 493 N 0.26 0.10 -0.56 1.90 2.86 -0.97 0.89 114.93 119.41 1xmd h MET 493 Ca 0.08 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1xmd h MET 493 Cb 0.14 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1xmd h MET 493 CO -0.01 0.07 0.31 1.98 1.06 0.00 0.00 176.91 180.32 1xmd h MET 494 N 0.11 0.58 -0.22 1.72 1.85 -0.97 0.15 114.93 118.14 1xmd h MET 494 Ca 0.12 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1xmd h MET 494 Cb 0.14 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 1xmd h MET 494 CO -0.18 0.38 0.10 -0.22 -0.40 0.00 0.00 176.91 176.59 1xmd h LYS 495 N 0.59 0.33 -0.26 0.39 3.64 -0.68 -1.44 116.57 119.14 1xmd h LYS 495 Ca 0.24 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1xmd h LYS 495 Cb 0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1xmd h LYS 495 CO -0.14 0.35 0.09 -0.44 -2.27 0.00 0.00 179.45 177.03 1xmd h ASP 496 N 0.23 0.37 -0.38 4.20 3.32 -0.48 -1.97 116.42 121.70 1xmd h ASP 496 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xmd h ASP 496 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1xmd h ASP 496 CO -0.01 0.47 0.21 0.00 -1.72 0.00 0.00 179.24 178.19 1xmd h SER 498 N 0.49 0.00 -0.40 0.00 4.64 -1.21 -1.26 113.55 115.82 1xmd h SER 498 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xmd h SER 498 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xmd h SER 498 CO -0.02 0.11 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 1xmd n HIS 499 N -3.79 1.02 -1.02 4.77 -0.00 -0.75 -4.46 115.22 110.99 1xmd n HIS 499 Ca -0.02 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.72 57.30 1xmd n HIS 499 Cb 0.21 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.99 29.98 1xmd n HIS 499 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xmd n GLY 500 N 0.72 0.47 0.96 -1.41 0.00 -0.48 -4.93 105.19 100.52 1xmd n GLY 500 Ca 0.16 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.48 1xmd n GLY 500 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xmd n LYS 501 N -2.93 2.61 -1.01 1.61 5.02 0.88 -4.46 118.16 119.89 1xmd n LYS 501 Ca -0.01 -2.25 -0.30 0.00 -2.02 0.00 0.00 58.31 53.73 1xmd n LYS 501 Cb 0.03 -1.41 0.25 0.00 -0.02 0.00 0.00 35.03 33.89 1xmd n LYS 501 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xmd n GLY 502 N 1.07 -2.84 0.00 0.72 0.00 -1.24 -4.71 105.19 98.20 1xmd n GLY 502 Ca 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1xmd n GLY 502 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xmd n PHE 503 N -4.93 0.00 0.02 1.61 1.16 -1.26 -4.74 117.46 109.32 1xmd n PHE 503 Ca 0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.61 1xmd n PHE 503 Cb 0.59 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.40 1xmd n PHE 503 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1xmd h ASP 504 N 0.00 0.04 -0.24 5.98 3.32 -1.95 -1.22 116.42 122.35 1xmd h ASP 504 Ca 0.00 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1xmd h ASP 504 Cb 0.00 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1xmd h ASP 504 CO 0.00 0.09 -0.05 0.03 -1.72 0.00 0.00 179.24 177.59 1xmd h ARG 505 N -0.01 0.59 0.39 3.56 2.47 -1.93 -2.08 114.38 117.37 1xmd h ARG 505 Ca 0.01 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1xmd h ARG 505 Cb 0.06 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1xmd h ARG 505 CO -0.00 0.65 -0.22 1.25 0.56 0.00 0.00 179.97 182.21 1xmd h HIS 506 N 0.55 -0.57 -0.31 3.04 2.76 -1.78 -0.82 115.15 118.03 1xmd h HIS 506 Ca 0.11 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1xmd h HIS 506 Cb 0.43 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1xmd h HIS 506 CO 0.02 -0.34 0.17 -0.07 -1.30 0.00 0.00 177.93 176.40 1xmd h LEU 507 N -0.57 0.36 -0.56 0.26 3.38 -1.08 -1.01 115.31 116.09 1xmd h LEU 507 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1xmd h LEU 507 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1xmd h LEU 507 CO 0.06 0.29 0.11 0.25 0.09 0.00 0.00 178.44 179.25 1xmd h LEU 508 N 0.42 0.87 -0.64 1.67 5.85 -0.99 -1.83 115.31 120.67 1xmd h LEU 508 Ca 0.11 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1xmd h LEU 508 Cb 0.01 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1xmd h LEU 508 CO -0.02 0.90 0.39 1.23 -0.34 0.00 0.00 178.44 180.60 1xmd h GLY 509 N 0.81 0.91 1.02 3.75 0.00 0.14 -0.07 103.07 109.65 1xmd h GLY 509 Ca 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1xmd h GLY 509 CO 0.01 0.24 0.35 1.41 0.00 0.00 0.00 176.54 178.55 1xmd h LEU 510 N 0.76 1.00 -0.65 3.11 3.38 -1.09 0.77 115.31 122.59 1xmd h LEU 510 Ca 0.26 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xmd h LEU 510 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1xmd h LEU 510 CO -0.11 0.86 0.30 0.25 0.09 0.00 0.00 178.44 179.84 1xmd h LEU 511 N 1.07 0.86 -0.63 1.67 5.85 -0.72 -1.85 115.31 121.57 1xmd h LEU 511 Ca 0.26 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1xmd h LEU 511 Cb 0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1xmd h LEU 511 CO -0.03 0.76 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.27 1xmd h LEU 512 N 0.90 0.54 -0.60 2.25 3.38 -0.51 -1.24 115.31 120.04 1xmd h LEU 512 Ca 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xmd h LEU 512 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xmd h LEU 512 CO -0.03 0.94 0.39 0.40 0.09 0.00 0.00 178.44 180.23 1xmd h ILE 513 N 0.40 1.16 -0.28 1.22 1.08 -0.61 -0.32 117.51 120.15 1xmd h ILE 513 Ca 0.02 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1xmd h ILE 513 Cb 1.00 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1xmd h ILE 513 CO 0.09 0.16 0.16 0.00 -0.69 0.00 0.00 178.15 177.87 1xmd h ALA 514 N 1.21 0.34 -0.22 1.87 0.00 -1.01 -1.90 119.26 119.55 1xmd h ALA 514 Ca 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1xmd h ALA 514 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xmd h ALA 514 CO -0.05 -0.22 -0.20 0.87 0.00 0.00 0.00 179.25 179.66 1xmd h LYS 515 N 0.33 0.39 0.00 0.00 1.57 -0.79 -0.51 116.57 117.57 1xmd h LYS 515 Ca 0.11 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1xmd h LYS 515 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1xmd h LYS 515 CO -0.05 0.58 -0.35 0.93 -0.57 0.00 0.00 179.45 179.99 1xmd h GLU 516 N 0.36 0.00 0.00 3.15 5.08 -0.83 -2.60 114.58 119.74 1xmd h GLU 516 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xmd h GLU 516 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xmd h GLU 516 CO 0.04 0.35 -0.20 0.39 -1.00 0.00 0.00 179.01 178.59 1xmd n GLU 517 N -3.34 0.14 -0.75 2.33 -0.58 -0.74 -4.91 120.64 112.79 1xmd n GLU 517 Ca 0.01 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1xmd n GLU 517 Cb 0.57 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1xmd n GLU 517 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xmd n GLY 518 N 1.41 0.61 3.83 0.62 0.00 -0.93 -5.04 105.19 105.70 1xmd n GLY 518 Ca 0.06 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1xmd n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xmd s LEU 519 N 0.00 3.26 0.65 0.99 1.43 -0.24 -5.00 118.68 119.77 1xmd s LEU 519 Ca 0.00 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1xmd s LEU 519 Cb 0.00 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1xmd s LEU 519 CO 0.00 -1.17 1.05 -2.16 0.23 0.00 0.00 176.35 174.30 1xmd s PRO 520 N -4.84 3.20 -0.07 1.29 0.04 -1.26 -4.46 135.00 128.90 1xmd s PRO 520 Ca 0.58 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1xmd s PRO 520 Cb -0.13 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1xmd s PRO 520 CO 0.50 -0.89 1.84 0.08 0.04 0.00 0.00 177.00 178.57 1xmd s VAL 521 N -2.94 3.31 0.31 -0.36 1.01 -1.26 -4.93 120.40 115.54 1xmd s VAL 521 Ca 0.58 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.65 1xmd s VAL 521 Cb -0.13 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 1xmd s VAL 521 CO 0.50 -0.07 1.10 -2.65 0.00 0.00 0.00 175.10 173.98 1xmd n PRO 522 N 7.59 1.61 0.31 2.72 -0.02 -1.26 -4.82 135.00 141.13 1xmd n PRO 522 Ca 0.20 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.44 1xmd n PRO 522 Cb 0.43 -2.02 1.03 0.00 -0.02 0.00 0.00 33.50 32.93 1xmd n PRO 522 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xmd h GLU 523 N 2.15 0.00 -0.41 -0.52 4.11 -1.97 -1.78 114.58 116.15 1xmd h GLU 523 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 1xmd h GLU 523 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1xmd h GLU 523 CO 0.61 0.00 0.22 1.25 0.07 0.00 0.00 179.01 181.16 1xmd h LEU 524 N 0.00 0.50 0.00 3.06 6.46 -1.89 -1.80 115.31 121.64 1xmd h LEU 524 Ca 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1xmd h LEU 524 Cb 0.15 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1xmd h LEU 524 CO 0.00 0.41 -0.32 0.49 -0.62 0.00 0.00 178.44 178.40 1xmd n PHE 525 N -4.43 0.62 0.63 1.25 3.01 -0.67 -3.63 117.46 114.24 1xmd n PHE 525 Ca 0.03 0.18 0.11 0.00 1.01 0.00 0.00 57.45 58.78 1xmd n PHE 525 Cb 0.10 -0.73 -0.02 0.00 -0.01 0.00 0.00 39.48 38.83 1xmd n PHE 525 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xmd n GLU 526 N -2.08 0.25 -1.68 -1.08 1.02 -0.84 -4.76 120.64 111.47 1xmd n GLU 526 Ca 0.05 -0.02 -0.45 0.00 -0.02 0.00 0.00 57.16 56.71 1xmd n GLU 526 Cb 0.42 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1xmd n GLU 526 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xmd n ASP 527 N -1.86 3.37 -0.30 1.62 -0.08 -0.74 -4.85 116.55 113.70 1xmd n ASP 527 Ca 0.02 1.08 0.20 0.00 -1.51 0.00 0.00 54.79 54.57 1xmd n ASP 527 Cb 0.42 -1.47 0.47 0.00 2.34 0.00 0.00 41.12 42.88 1xmd n ASP 527 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xmd h PRO 528 N 6.18 0.46 0.00 -0.67 0.11 -1.92 -0.19 132.00 135.97 1xmd h PRO 528 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xmd h PRO 528 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xmd h PRO 528 CO 0.91 0.30 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.91 1xmd h LEU 529 N 0.47 0.00 -0.38 2.35 3.38 -1.95 -1.06 115.31 118.13 1xmd h LEU 529 Ca 0.55 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.38 1xmd h LEU 529 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xmd h LEU 529 CO -0.27 0.02 -0.31 0.15 0.09 0.00 0.00 178.44 178.12 1xmd h PHE 530 N 0.00 1.04 0.08 1.13 3.04 -1.29 -2.27 116.94 118.66 1xmd h PHE 530 Ca -0.00 -0.30 -0.29 0.00 3.98 0.00 0.00 57.97 61.36 1xmd h PHE 530 Cb 0.35 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1xmd h PHE 530 CO 0.00 1.10 -1.54 0.66 -2.02 0.00 0.00 178.31 176.51 1xmd h SER 531 N 0.68 0.25 0.03 0.41 4.64 -1.62 -0.19 113.55 117.76 1xmd h SER 531 Ca 0.07 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1xmd h SER 531 Cb 0.89 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1xmd h SER 531 CO 0.08 1.32 -0.08 -0.09 -0.87 0.00 0.00 176.83 177.20 1xmd h ARG 532 N 0.04 0.13 -0.01 4.77 2.43 -1.23 0.05 114.38 120.56 1xmd h ARG 532 Ca -0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1xmd h ARG 532 Cb 1.98 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1xmd h ARG 532 CO 0.13 0.22 0.00 -1.13 -1.51 0.00 0.00 179.97 177.68 1xmd n SER 533 N -4.37 0.28 0.00 -3.80 3.41 -0.86 -4.81 113.62 103.47 1xmd n SER 533 Ca -0.02 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1xmd n SER 533 Cb 0.20 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1xmd n SER 533 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xmd n GLY 534 N 1.00 2.45 3.64 5.00 0.00 0.00 -4.76 105.19 112.52 1xmd n GLY 534 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1xmd n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmd n GLY 535 N -0.65 -0.10 1.82 -0.02 0.00 -0.08 -0.73 105.19 105.43 1xmd n GLY 535 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xmd n GLY 535 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmd n GLY 536 N 1.19 0.47 1.91 -0.02 0.00 -1.26 -3.76 105.19 103.72 1xmd n GLY 536 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1xmd n GLY 536 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmd n GLY 537 N -2.91 0.41 0.56 -0.02 0.00 -1.15 -4.99 105.19 97.09 1xmd n GLY 537 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1xmd n GLY 537 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xmd n ASN 538 N -0.52 2.35 -4.68 1.61 3.02 0.09 -4.65 115.26 112.48 1xmd n ASN 538 Ca -0.03 -3.49 -0.42 0.00 -0.03 0.00 0.00 54.58 50.60 1xmd n ASN 538 Cb 0.53 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1xmd n ASN 538 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xmd s PHE 539 N -3.07 2.93 -0.68 3.10 0.40 -1.23 -4.49 117.98 114.93 1xmd s PHE 539 Ca 0.38 0.99 0.22 0.00 -0.60 0.00 0.00 56.93 57.91 1xmd s PHE 539 Cb 0.34 -3.54 0.88 0.00 0.51 0.00 0.00 43.02 41.22 1xmd s PHE 539 CO -0.00 -1.88 1.67 1.33 0.70 0.00 0.00 175.22 177.04 1xmd n VAL 540 N 4.91 0.78 -3.89 -0.44 0.24 -1.04 -4.31 118.33 114.58 1xmd n VAL 540 Ca 0.13 0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 62.28 1xmd n VAL 540 Cb 0.45 -1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 31.66 1xmd n VAL 540 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xmd s LEU 541 N -4.00 2.15 -0.31 1.34 1.43 -1.00 0.02 118.68 118.31 1xmd s LEU 541 Ca 0.06 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1xmd s LEU 541 Cb 0.10 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1xmd s LEU 541 CO 0.40 -0.24 0.09 -0.55 0.23 0.00 0.00 176.35 176.27 1xmd s SER 542 N 1.52 5.18 0.16 2.29 0.15 -0.38 -0.28 113.70 122.34 1xmd s SER 542 Ca -0.04 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1xmd s SER 542 Cb -0.18 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1xmd s SER 542 CO -0.07 -0.25 0.04 0.42 1.20 0.00 0.00 173.24 174.59 1xmd s THR 543 N 1.45 0.34 -0.22 6.45 -4.23 0.51 -0.43 115.64 119.52 1xmd s THR 543 Ca 0.01 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.29 1xmd s THR 543 Cb -0.18 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.66 1xmd s THR 543 CO 0.02 -0.42 1.08 -0.55 -0.54 0.00 0.00 174.62 174.22 1xmd s SER 544 N -3.12 -0.33 0.01 3.99 0.15 -1.21 -2.31 113.70 110.88 1xmd s SER 544 Ca 0.26 0.47 -0.29 0.00 0.70 0.00 0.00 55.95 57.09 1xmd s SER 544 Cb 0.07 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1xmd s SER 544 CO 0.04 -0.23 0.93 -0.22 1.20 0.00 0.00 173.24 174.96 1xmd s LEU 545 N -0.63 4.39 0.00 3.45 2.96 -1.26 -3.23 118.68 124.36 1xmd s LEU 545 Ca 0.02 1.61 0.26 0.00 -0.22 0.00 0.00 54.13 55.79 1xmd s LEU 545 Cb -0.02 -3.49 0.61 0.00 0.50 0.00 0.00 46.19 43.78 1xmd s LEU 545 CO -0.03 -0.19 1.48 0.52 -1.32 0.00 0.00 176.35 176.80 1xmd n VAL 546 N 3.63 0.00 0.00 1.68 0.31 0.25 -4.94 118.33 119.26 1xmd n VAL 546 Ca 0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xmd n VAL 546 Cb 0.51 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1xmd n VAL 546 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xmd n GLY 547 N 1.45 0.47 0.66 2.92 0.00 -1.25 -4.80 105.19 104.65 1xmd n GLY 547 Ca 0.08 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.95 1xmd n GLY 547 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xmd n TYR 548 N 2.23 0.00 -1.34 1.61 4.02 -1.26 -0.92 117.16 121.50 1xmd n TYR 548 Ca 0.00 -1.21 -0.01 0.00 -0.01 0.00 0.00 57.90 56.67 1xmd n TYR 548 Cb 0.00 -0.21 0.21 0.00 -0.02 0.00 0.00 39.34 39.32 1xmd n TYR 548 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1xmd n LEU 549 N -0.86 3.96 -1.30 7.72 4.77 -1.26 -4.94 117.00 125.08 1xmd n LEU 549 Ca 0.16 -3.59 -0.17 0.00 -0.03 0.00 0.00 56.01 52.37 1xmd n LEU 549 Cb 0.76 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1xmd n LEU 549 CO -0.03 1.12 -0.16 0.54 -1.33 0.00 0.00 177.39 177.52 1xmd n ARG 550 N -1.02 -1.27 -4.61 3.23 1.74 -1.26 -4.83 116.66 108.64 1xmd n ARG 550 Ca 0.30 1.09 -0.33 0.00 -0.77 0.00 0.00 57.85 58.14 1xmd n ARG 550 Cb 0.98 -5.36 -0.12 0.00 -1.02 0.00 0.00 32.46 26.94 1xmd n ARG 550 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xmd s VAL 551 N -2.59 3.56 0.07 1.55 1.01 -1.26 -4.76 120.40 117.98 1xmd s VAL 551 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1xmd s VAL 551 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1xmd s VAL 551 CO 0.00 0.55 -0.20 -1.58 0.00 0.00 0.00 175.10 173.87 1xmd s GLN 552 N -0.18 1.19 0.37 2.72 2.00 -1.26 -4.67 119.66 119.83 1xmd s GLN 552 Ca 0.02 -1.03 -0.09 0.00 -2.00 0.00 0.00 55.36 52.26 1xmd s GLN 552 Cb -0.13 -1.36 0.03 0.00 0.80 0.00 0.00 33.01 32.35 1xmd s GLN 552 CO 0.03 0.33 0.63 0.20 -0.50 0.00 0.00 175.29 175.98 1xmd s GLY 553 N -1.55 0.97 0.28 2.59 0.00 -1.26 -3.78 107.32 104.58 1xmd s GLY 553 Ca 0.06 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 1xmd s GLY 553 CO 0.03 -0.67 0.74 -1.34 0.00 0.00 0.00 173.10 171.85 1xmd s VAL 554 N -2.63 0.00 0.10 1.40 -7.23 -0.10 -4.71 120.40 107.23 1xmd s VAL 554 Ca 0.23 -0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1xmd s VAL 554 Cb -0.03 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1xmd s VAL 554 CO 0.16 0.00 0.19 0.68 -0.31 0.00 0.00 175.10 175.82 1xmd s VAL 555 N -3.75 0.13 0.99 1.32 -7.23 -1.26 -1.82 120.40 108.78 1xmd s VAL 555 Ca 0.11 -1.29 -0.13 0.00 -1.81 0.00 0.00 61.98 58.87 1xmd s VAL 555 Cb -0.06 -1.47 0.18 0.00 0.56 0.00 0.00 36.38 35.59 1xmd s VAL 555 CO 0.07 -0.60 1.12 0.68 -0.31 0.00 0.00 175.10 176.06 1xmd s VAL 556 N -3.89 1.97 0.79 1.32 -7.23 -1.26 -4.60 120.40 107.50 1xmd s VAL 556 Ca 0.08 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.13 1xmd s VAL 556 Cb 0.05 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.46 1xmd s VAL 556 CO -0.08 0.00 1.15 -2.84 -0.31 0.00 0.00 175.10 173.02 1xmd s PRO 557 N -5.14 1.85 0.26 4.82 0.02 -1.26 -4.66 135.00 130.89 1xmd s PRO 557 Ca 0.65 1.54 0.13 0.00 0.02 0.00 0.00 61.00 63.35 1xmd s PRO 557 Cb -0.16 -1.82 0.18 0.00 0.02 0.00 0.00 34.50 32.71 1xmd s PRO 557 CO 0.56 -2.01 1.49 1.98 -0.33 0.00 0.00 177.00 178.69 1xmd h MET 558 N -0.96 0.00 -4.43 5.54 4.05 -1.80 -3.46 114.93 113.88 1xmd h MET 558 Ca -0.45 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 58.78 1xmd h MET 558 Cb 1.27 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 31.90 1xmd h MET 558 CO 0.48 0.62 -0.70 0.14 0.23 0.00 0.00 176.91 177.68 1xmd s VAL 559 N -3.12 0.45 0.27 -5.77 -7.23 -1.26 -4.87 120.40 98.85 1xmd s VAL 559 Ca 0.02 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1xmd s VAL 559 Cb 0.10 -1.30 0.25 0.00 0.56 0.00 0.00 36.38 35.99 1xmd s VAL 559 CO 0.75 -0.80 1.72 -0.74 -0.31 0.00 0.00 175.10 175.73 1xmd h HIS 560 N 3.45 0.62 -0.87 2.82 2.76 -1.97 -0.60 115.15 121.36 1xmd h HIS 560 Ca -0.35 0.04 -0.47 0.00 -2.20 0.00 0.00 60.37 57.39 1xmd h HIS 560 Cb 1.17 -0.14 -0.27 0.00 1.55 0.00 0.00 27.41 29.72 1xmd h HIS 560 CO 0.59 0.05 0.60 0.27 -1.30 0.00 0.00 177.93 178.14 1xmd n ASN 561 N -4.99 4.19 -3.41 3.26 6.94 -1.26 -4.55 115.26 115.44 1xmd n ASN 561 Ca 0.18 -3.43 -0.17 0.00 -0.02 0.00 0.00 54.58 51.14 1xmd n ASN 561 Cb 0.51 -0.83 -0.03 0.00 -2.36 0.00 0.00 39.78 37.07 1xmd n ASN 561 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xmd n GLY 562 N -0.89 3.84 3.22 4.83 0.00 -0.23 -4.85 105.19 111.11 1xmd n GLY 562 Ca 0.53 -2.29 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1xmd n GLY 562 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmd s TYR 563 N -1.95 1.30 -0.13 1.61 2.02 0.10 -4.44 117.35 115.86 1xmd s TYR 563 Ca 0.01 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 1xmd s TYR 563 Cb -0.00 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 1xmd s TYR 563 CO 0.00 0.10 -0.05 0.20 -1.57 0.00 0.00 175.55 174.24 1xmd s GLY 564 N -2.45 1.70 -0.15 0.71 0.00 -0.43 -1.25 107.32 105.46 1xmd s GLY 564 Ca 0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1xmd s GLY 564 CO 0.02 -0.21 0.09 -0.12 0.00 0.00 0.00 173.10 172.88 1xmd s PHE 565 N 0.09 0.14 0.20 1.90 2.19 0.43 -0.33 117.98 122.61 1xmd s PHE 565 Ca -0.01 -0.17 0.08 0.00 0.33 0.00 0.00 56.93 57.15 1xmd s PHE 565 Cb -0.14 -0.63 -0.05 0.00 -1.31 0.00 0.00 43.02 40.90 1xmd s PHE 565 CO 0.03 -0.46 -0.15 -0.06 1.83 0.00 0.00 175.22 176.41 1xmd s PHE 566 N 2.16 1.73 0.16 10.12 0.08 -0.10 -3.35 117.98 128.77 1xmd s PHE 566 Ca 0.03 -0.56 -0.24 0.00 0.12 0.00 0.00 56.93 56.27 1xmd s PHE 566 Cb -0.15 -0.80 0.06 0.00 -0.57 0.00 0.00 43.02 41.55 1xmd s PHE 566 CO -0.08 0.37 0.82 1.52 -0.10 0.00 0.00 175.22 177.74 1xmd s TYR 567 N -2.90 -0.26 0.06 0.36 1.13 -1.20 -0.83 117.35 113.71 1xmd s TYR 567 Ca 0.22 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 1xmd s TYR 567 Cb -0.01 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1xmd s TYR 567 CO 0.07 -0.88 -0.04 -3.38 -2.51 0.00 0.00 175.55 168.80 1xmd s HIS 568 N -3.50 0.58 -0.08 -3.49 -3.43 -0.61 0.85 115.29 105.60 1xmd s HIS 568 Ca 0.08 -0.88 0.03 0.00 -0.80 0.00 0.00 55.06 53.50 1xmd s HIS 568 Cb -0.02 -0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 30.72 1xmd s HIS 568 CO -0.02 -0.26 -0.16 0.42 -2.00 0.00 0.00 174.74 172.73 1xmd s ILE 569 N -3.14 2.87 0.36 -5.38 1.01 -0.10 -2.09 121.20 114.72 1xmd s ILE 569 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1xmd s ILE 569 Cb 0.02 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.28 1xmd s ILE 569 CO -0.06 0.57 -0.00 -0.13 0.00 0.00 0.00 174.94 175.31 1xmd s ARG 570 N -0.28 1.79 0.22 2.79 0.52 -0.45 -4.38 118.95 119.16 1xmd s ARG 570 Ca 0.02 -1.98 -0.08 0.00 -0.52 0.00 0.00 55.73 53.17 1xmd s ARG 570 Cb -0.13 -1.35 0.19 0.00 0.52 0.00 0.00 34.95 34.18 1xmd s ARG 570 CO 0.03 -0.05 1.86 0.38 0.02 0.00 0.00 175.30 177.54 1xmd h ASP 571 N 1.99 1.03 -0.20 0.23 2.03 -1.96 -1.28 116.42 118.25 1xmd h ASP 571 Ca -0.42 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1xmd h ASP 571 Cb 1.24 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1xmd h ASP 571 CO 0.74 0.80 0.00 -0.90 -1.03 0.00 0.00 179.24 178.85 1xmd n ASP 572 N -4.42 2.46 -3.54 4.15 5.75 -1.26 -1.54 116.55 118.15 1xmd n ASP 572 Ca 0.09 -1.80 -0.10 0.00 -0.01 0.00 0.00 54.79 52.97 1xmd n ASP 572 Cb 0.06 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 1xmd n ASP 572 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xmd s ARG 573 N -0.93 1.25 -0.00 0.11 1.70 -1.23 -3.00 118.95 116.84 1xmd s ARG 573 Ca 0.17 -0.53 0.08 0.00 -0.47 0.00 0.00 55.73 54.98 1xmd s ARG 573 Cb 0.10 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.98 1xmd s ARG 573 CO 0.13 -0.56 -0.26 -0.06 -1.08 0.00 0.00 175.30 173.47 1xmd s PHE 574 N -3.59 2.32 -0.06 5.89 0.08 -0.76 -1.34 117.98 120.51 1xmd s PHE 574 Ca 0.05 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.71 1xmd s PHE 574 Cb -0.02 -1.46 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1xmd s PHE 574 CO -0.07 0.01 -0.22 0.08 -0.10 0.00 0.00 175.22 174.91 1xmd s VAL 575 N -0.66 1.82 0.13 -0.44 1.01 -0.89 0.16 120.40 121.52 1xmd s VAL 575 Ca 0.10 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1xmd s VAL 575 Cb -0.10 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1xmd s VAL 575 CO -0.00 0.51 -0.12 0.68 0.00 0.00 0.00 175.10 176.17 1xmd s VAL 576 N 0.05 1.21 -0.08 2.92 -7.23 -0.59 -1.58 120.40 115.10 1xmd s VAL 576 Ca -0.08 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 1xmd s VAL 576 Cb -0.14 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.25 1xmd s VAL 576 CO 0.04 -0.55 0.15 0.00 -0.31 0.00 0.00 175.10 174.43 1xmd s ALA 577 N -2.57 -0.17 -0.02 1.32 0.00 -0.01 -1.74 121.76 118.58 1xmd s ALA 577 Ca 0.11 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1xmd s ALA 577 Cb -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1xmd s ALA 577 CO 0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 175.76 175.18 1xmd s SER 579 N -0.35 2.89 0.19 0.00 1.04 0.55 -1.17 113.70 116.86 1xmd s SER 579 Ca 0.05 -0.79 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 1xmd s SER 579 Cb -0.07 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.92 1xmd s SER 579 CO -0.00 0.06 0.73 -0.94 0.98 0.00 0.00 173.24 174.07 1xmd s SER 580 N -2.33 -0.37 -0.22 7.02 1.04 -0.54 -1.31 113.70 116.99 1xmd s SER 580 Ca 0.14 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1xmd s SER 580 Cb -0.08 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1xmd s SER 580 CO 0.06 -1.07 0.10 0.26 0.98 0.00 0.00 173.24 173.57 1xmd s TRP 581 N -3.68 3.22 0.22 5.02 0.52 -1.26 -0.14 118.94 122.84 1xmd s TRP 581 Ca 0.07 -0.00 -0.07 0.00 0.02 0.00 0.00 56.10 56.11 1xmd s TRP 581 Cb -0.03 -2.18 0.29 0.00 -1.15 0.00 0.00 33.47 30.40 1xmd s TRP 581 CO -0.03 -0.01 1.81 0.00 0.02 0.00 0.00 176.95 178.75 1xmd h ARG 582 N 7.37 0.72 0.00 4.98 3.08 -1.04 -1.37 114.38 128.12 1xmd h ARG 582 Ca -0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1xmd h ARG 582 Cb 1.17 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1xmd h ARG 582 CO 0.65 0.48 0.11 -1.13 -1.07 0.00 0.00 179.97 179.01 1xmd n SER 583 N -4.76 0.43 -4.47 7.04 3.41 -1.26 -4.07 113.62 109.94 1xmd n SER 583 Ca 0.10 0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 58.94 1xmd n SER 583 Cb 0.20 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.37 1xmd n SER 583 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xmd h PRO 585 N 8.63 0.78 -0.42 0.00 0.11 -1.84 -3.14 132.00 136.12 1xmd h PRO 585 Ca -0.27 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1xmd h PRO 585 Cb 1.12 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1xmd h PRO 585 CO 0.73 0.51 0.25 1.49 -0.21 0.00 0.00 178.00 180.77 1xmd h GLU 586 N 0.80 0.49 -6.94 1.05 4.81 -1.93 -3.45 114.58 109.41 1xmd h GLU 586 Ca 0.44 -0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 59.18 1xmd h GLU 586 Cb 0.46 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1xmd h GLU 586 CO -0.28 0.32 0.31 0.95 -0.73 0.00 0.00 179.01 179.58 1xmd s THR 587 N -6.15 4.37 -0.30 0.32 -4.23 -1.19 -5.05 115.64 103.41 1xmd s THR 587 Ca -0.13 1.53 0.05 0.00 -1.18 0.00 0.00 61.69 61.96 1xmd s THR 587 Cb 0.12 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1xmd s THR 587 CO 0.72 -0.13 0.52 -0.62 -0.54 0.00 0.00 174.62 174.58 1xmd s ASP 588 N -1.98 -0.81 0.21 3.99 -1.08 -1.26 -4.87 116.67 110.87 1xmd s ASP 588 Ca 0.56 -0.14 -0.09 0.00 -0.52 0.00 0.00 52.55 52.36 1xmd s ASP 588 Cb -0.13 1.65 0.31 0.00 -1.46 0.00 0.00 42.92 43.30 1xmd s ASP 588 CO 0.17 -0.31 1.71 0.00 0.52 0.00 0.00 175.17 177.26 1xmd h ALA 589 N 7.96 0.76 -0.65 3.66 0.00 -1.87 -1.63 119.26 127.49 1xmd h ALA 589 Ca -0.03 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xmd h ALA 589 Cb 1.16 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1xmd h ALA 589 CO 0.19 -0.28 0.39 0.93 0.00 0.00 0.00 179.25 180.48 1xmd h GLU 590 N 0.29 0.73 -0.28 0.00 5.08 -1.90 -1.70 114.58 116.80 1xmd h GLU 590 Ca 0.33 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1xmd h GLU 590 Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xmd h GLU 590 CO -0.39 0.48 -0.38 0.87 -1.00 0.00 0.00 179.01 178.59 1xmd h LYS 591 N 0.75 0.65 -0.54 2.33 1.57 -1.84 -1.82 116.57 117.68 1xmd h LYS 591 Ca 0.27 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1xmd h LYS 591 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1xmd h LYS 591 CO -0.13 0.93 0.02 1.25 -0.57 0.00 0.00 179.45 180.95 1xmd h LEU 592 N 0.54 0.92 -0.61 2.94 5.85 -0.98 -0.31 115.31 123.66 1xmd h LEU 592 Ca 0.05 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1xmd h LEU 592 Cb 0.89 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1xmd h LEU 592 CO 0.08 0.99 0.31 0.58 -0.34 0.00 0.00 178.44 180.06 1xmd h VAL 593 N 0.82 1.21 -0.65 1.05 2.07 -1.21 -0.00 116.25 119.54 1xmd h VAL 593 Ca 0.16 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xmd h VAL 593 Cb 0.50 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1xmd h VAL 593 CO 0.02 0.23 0.37 1.56 0.02 0.00 0.00 177.57 179.77 1xmd h GLN 594 N 0.84 0.90 -0.44 1.57 4.20 -1.07 -2.29 115.11 118.82 1xmd h GLN 594 Ca 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1xmd h GLN 594 Cb 0.08 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1xmd h GLN 594 CO -0.03 0.67 0.16 0.52 -0.67 0.00 0.00 178.83 179.48 1xmd h MET 595 N 0.89 0.67 -0.30 1.46 2.86 -0.54 -2.76 114.93 117.20 1xmd h MET 595 Ca 0.23 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1xmd h MET 595 Cb 0.02 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1xmd h MET 595 CO -0.04 0.63 -0.12 0.97 1.06 0.00 0.00 176.91 179.41 1xmd h ILE 596 N 0.57 1.23 -0.83 -1.22 2.10 -0.81 0.15 117.51 118.71 1xmd h ILE 596 Ca 0.15 -1.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.03 1xmd h ILE 596 Cb 0.22 1.14 -0.04 0.00 -1.09 0.00 0.00 36.82 37.05 1xmd h ILE 596 CO -0.01 0.34 0.42 -0.26 -1.08 0.00 0.00 178.15 177.56 1xmd h PHE 597 N 0.48 1.16 -0.26 2.19 0.05 -1.29 0.18 116.94 119.45 1xmd h PHE 597 Ca 0.09 -0.04 -0.13 0.00 3.82 0.00 0.00 57.97 61.70 1xmd h PHE 597 Cb 0.50 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 1xmd h PHE 597 CO 0.02 0.83 -0.39 0.45 -0.18 0.00 0.00 178.31 179.03 1xmd h HIS 598 N 1.17 0.71 -0.86 -0.55 3.86 -1.12 -2.85 115.15 115.52 1xmd h HIS 598 Ca 0.29 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1xmd h HIS 598 Cb 0.08 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 1xmd h HIS 598 CO 0.01 0.90 0.42 0.00 0.86 0.00 0.00 177.93 180.12 1xmd h ALA 599 N 1.08 1.10 -0.37 2.45 0.00 0.28 -2.07 119.26 121.73 1xmd h ALA 599 Ca 0.04 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xmd h ALA 599 Cb 0.90 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1xmd h ALA 599 CO 0.08 0.66 0.04 0.74 0.00 0.00 0.00 179.25 180.77 1xmd h PHE 600 N 1.22 0.07 -0.51 0.00 0.04 -0.46 -1.27 116.94 116.02 1xmd h PHE 600 Ca 0.29 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 61.00 1xmd h PHE 600 Cb 0.11 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1xmd h PHE 600 CO 0.01 -0.02 -0.01 1.25 -0.60 0.00 0.00 178.31 178.94 1xmd h HIS 601 N 0.16 0.99 -0.46 -0.55 2.76 -1.43 -2.36 115.15 114.25 1xmd h HIS 601 Ca 0.18 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1xmd h HIS 601 Cb 0.23 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1xmd h HIS 601 CO -0.22 0.93 0.28 -0.44 -1.30 0.00 0.00 177.93 177.18 1xmd h ASP 602 N 0.77 0.45 -0.27 3.26 3.32 -0.91 -1.38 116.42 121.66 1xmd h ASP 602 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xmd h ASP 602 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1xmd h ASP 602 CO 0.03 0.32 0.17 0.24 -1.72 0.00 0.00 179.24 178.29 1xmd h MET 603 N 0.56 0.35 -0.90 3.56 2.86 -1.14 -2.78 114.93 117.45 1xmd h MET 603 Ca 0.18 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1xmd h MET 603 Cb 0.01 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1xmd h MET 603 CO -0.08 0.24 0.51 0.82 1.06 0.00 0.00 176.91 179.46 1xmd h ILE 604 N 0.36 1.26 -0.01 -1.22 1.08 -1.19 -2.00 117.51 115.79 1xmd h ILE 604 Ca 0.10 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1xmd h ILE 604 Cb -0.03 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 33.74 1xmd h ILE 604 CO -0.02 0.28 -0.04 1.56 -0.69 0.00 0.00 178.15 179.24 1xmd h GLN 605 N 1.26 0.01 0.00 2.37 4.20 -0.99 -0.61 115.11 121.35 1xmd h GLN 605 Ca 0.32 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1xmd h GLN 605 Cb 0.01 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xmd h GLN 605 CO -0.05 0.06 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.07 1xmd h LEU 606 N 0.01 0.00 0.09 1.46 4.07 -1.11 -2.46 115.31 117.38 1xmd h LEU 606 Ca 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1xmd h LEU 606 Cb 0.08 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1xmd h LEU 606 CO 0.01 0.02 -2.13 0.23 -1.08 0.00 0.00 178.44 175.49 1xmd n MET 607 N -3.43 0.73 -0.25 1.13 2.81 -0.28 -3.18 117.12 114.66 1xmd n MET 607 Ca -0.02 0.23 -0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1xmd n MET 607 Cb 0.13 -1.66 0.09 0.00 -0.71 0.00 0.00 33.22 31.07 1xmd n MET 607 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xmd n ASN 608 N -3.43 2.45 0.05 7.83 3.02 -0.94 -4.33 115.26 119.91 1xmd n ASN 608 Ca -0.36 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1xmd n ASN 608 Cb 1.03 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1xmd n ASN 608 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1xmd n THR 609 N 0.14 0.00 1.82 3.41 -1.04 -0.96 -5.02 114.28 112.63 1xmd n THR 609 Ca 0.09 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.25 1xmd n THR 609 Cb 0.57 -0.11 0.79 0.00 -1.82 0.00 0.00 70.33 69.76 1xmd n THR 609 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43