#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 3.33 0.28 5.31 0.52 -1.26 -4.88 118.95 122.25 1xmd s ARG 12 Ca 0.00 -0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1xmd s ARG 12 Cb 0.00 -3.02 0.64 0.00 0.52 0.00 0.00 34.95 33.09 1xmd s ARG 12 CO 0.00 0.66 1.63 1.15 0.02 0.00 0.00 175.30 178.76 1xmd h THR 13 N 2.86 0.28 -0.27 0.02 2.02 -1.59 -2.63 112.91 113.60 1xmd h THR 13 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1xmd h THR 13 Cb 1.18 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1xmd h THR 13 CO 0.68 0.03 0.00 0.49 0.37 0.00 0.00 175.52 177.08 1xmd n PHE 14 N -5.30 0.97 0.30 3.16 3.01 -1.26 -4.69 117.46 113.65 1xmd n PHE 14 Ca 0.20 -0.87 0.19 0.00 1.01 0.00 0.00 57.45 57.97 1xmd n PHE 14 Cb 0.64 -0.32 0.83 0.00 -0.01 0.00 0.00 39.48 40.62 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 1.89 0.00 -0.01 -1.08 3.07 -1.89 -2.98 115.11 114.11 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 1.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.01 1xmd h GLN 15 CO 0.23 0.00 -0.47 0.66 0.09 0.00 0.00 178.83 179.34 1xmd n TYR 16 N -3.03 0.00 -0.30 0.06 4.01 -1.26 -4.46 117.16 112.18 1xmd n TYR 16 Ca -0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1xmd n TYR 16 Cb 0.23 -0.07 0.21 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.39 0.67 0.00 -0.72 1.08 -1.88 0.75 115.11 116.41 1xmd h GLN 17 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1xmd h GLN 17 Cb 0.60 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1xmd h GLN 17 CO 0.00 0.45 0.00 -0.25 -0.95 0.00 0.00 178.83 178.08 1xmd n ASP 18 N -4.82 0.00 -0.00 1.46 8.00 -1.26 -2.81 116.55 117.12 1xmd n ASP 18 Ca 0.16 -0.37 0.08 0.00 0.71 0.00 0.00 54.79 55.37 1xmd n ASP 18 Cb 0.39 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.15 0.83 -4.77 -2.24 7.64 0.23 -5.00 113.62 109.15 1xmd n SER 19 Ca 0.14 -0.76 -0.40 0.00 1.01 0.00 0.00 58.87 58.86 1xmd n SER 19 Cb 0.13 1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.98 4.27 0.68 -3.43 1.43 -1.04 -5.01 118.68 112.60 1xmd s LEU 20 Ca 0.04 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1xmd s LEU 20 Cb 0.12 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1xmd s LEU 20 CO 0.68 -0.75 1.06 -2.16 0.23 0.00 0.00 176.35 175.41 1xmd s PRO 21 N -2.13 3.00 0.52 1.29 0.04 -1.26 -4.59 135.00 131.88 1xmd s PRO 21 Ca 0.55 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 1xmd s PRO 21 Cb -0.38 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1xmd s PRO 21 CO 0.49 -1.05 1.11 -1.12 0.04 0.00 0.00 177.00 176.47 1xmd s SER 22 N -3.76 5.91 0.11 6.66 0.01 -1.26 -1.06 113.70 120.30 1xmd s SER 22 Ca 0.58 2.13 -0.31 0.00 1.31 0.00 0.00 55.95 59.67 1xmd s SER 22 Cb -0.14 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 1xmd s SER 22 CO 0.54 -1.09 1.62 -0.22 0.41 0.00 0.00 173.24 174.50 1xmd s LEU 23 N -3.64 4.37 0.75 2.44 2.96 -0.07 -4.81 118.68 120.67 1xmd s LEU 23 Ca 0.71 2.54 -0.12 0.00 -0.22 0.00 0.00 54.13 57.04 1xmd s LEU 23 Cb -0.23 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.93 1xmd s LEU 23 CO 0.26 -0.86 1.12 -2.16 -1.32 0.00 0.00 176.35 173.38 1xmd s PRO 24 N 2.08 2.51 -0.24 0.98 0.04 -1.26 -4.69 135.00 134.42 1xmd s PRO 24 Ca 0.73 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1xmd s PRO 24 Cb -0.41 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1xmd s PRO 24 CO 0.32 -1.27 -0.08 0.08 0.04 0.00 0.00 177.00 176.09 1xmd s VAL 25 N -3.38 2.72 0.90 -0.36 1.01 -1.26 -4.99 120.40 115.04 1xmd s VAL 25 Ca 0.59 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1xmd s VAL 25 Cb -0.12 -2.38 0.14 0.00 0.00 0.00 0.00 36.38 34.02 1xmd s VAL 25 CO 0.51 0.22 1.14 -2.84 0.00 0.00 0.00 175.10 174.13 1xmd s PRO 26 N 1.30 1.13 0.33 2.72 0.02 -1.26 -4.95 135.00 134.30 1xmd s PRO 26 Ca -0.00 1.47 -0.28 0.00 0.02 0.00 0.00 61.00 62.21 1xmd s PRO 26 Cb -0.17 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 1xmd s PRO 26 CO -0.05 -2.53 1.25 0.00 -0.33 0.00 0.00 177.00 175.34 1xmd s ALA 27 N -2.68 3.44 0.11 -1.55 0.00 -1.26 -4.92 121.76 114.89 1xmd s ALA 27 Ca 0.66 1.16 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 1xmd s ALA 27 Cb -0.22 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1xmd s ALA 27 CO 0.58 -0.55 1.64 1.25 0.00 0.00 0.00 175.76 178.69 1xmd h LEU 28 N 3.36 -0.69 -1.04 0.00 6.46 -1.99 -2.13 115.31 119.27 1xmd h LEU 28 Ca -0.48 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.46 1xmd h LEU 28 Cb 1.23 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 41.34 1xmd h LEU 28 CO 0.65 -0.34 0.63 -0.08 -0.62 0.00 0.00 178.44 178.69 1xmd h GLU 29 N -0.45 0.99 -0.32 1.25 4.81 -1.97 -1.11 114.58 117.77 1xmd h GLU 29 Ca 0.03 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1xmd h GLU 29 Cb 0.47 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1xmd h GLU 29 CO -0.13 0.66 0.13 0.93 -0.73 0.00 0.00 179.01 179.86 1xmd h GLU 30 N 1.02 0.49 -0.60 1.92 4.39 -1.86 -1.53 114.58 118.40 1xmd h GLU 30 Ca 0.47 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 60.02 1xmd h GLU 30 Cb 0.41 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1xmd h GLU 30 CO -0.23 0.49 0.15 0.77 -1.16 0.00 0.00 179.01 179.04 1xmd h SER 31 N 0.37 0.91 -0.18 1.42 0.02 -0.73 -1.96 113.55 113.40 1xmd h SER 31 Ca 0.11 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1xmd h SER 31 Cb 0.19 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xmd h SER 31 CO -0.01 0.90 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.22 1xmd h LEU 32 N 0.87 0.70 -0.44 5.07 3.38 -1.16 -0.66 115.31 123.07 1xmd h LEU 32 Ca 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1xmd h LEU 32 Cb 0.34 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1xmd h LEU 32 CO 0.00 0.95 0.17 0.11 0.09 0.00 0.00 178.44 179.76 1xmd h LYS 33 N 0.58 0.67 -0.44 1.13 1.57 -1.12 -0.07 116.57 118.89 1xmd h LYS 33 Ca 0.07 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1xmd h LYS 33 Cb 0.80 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1xmd h LYS 33 CO 0.07 0.63 0.05 0.87 -0.57 0.00 0.00 179.45 180.50 1xmd h LYS 34 N 0.57 0.68 -0.15 3.15 1.57 -1.13 -2.10 116.57 119.16 1xmd h LYS 34 Ca 0.15 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1xmd h LYS 34 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1xmd h LYS 34 CO -0.01 0.66 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.60 1xmd h TYR 35 N 0.65 0.29 -0.69 -1.35 5.03 -0.64 -2.30 116.97 117.96 1xmd h TYR 35 Ca 0.14 -0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.46 1xmd h TYR 35 Cb 0.33 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.47 1xmd h TYR 35 CO 0.01 0.50 0.38 -0.07 -1.32 0.00 0.00 178.16 177.67 1xmd h LEU 36 N -0.00 0.57 -1.36 2.82 3.38 -0.76 -1.53 115.31 118.42 1xmd h LEU 36 Ca 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1xmd h LEU 36 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xmd h LEU 36 CO 0.01 0.36 0.01 -0.08 0.09 0.00 0.00 178.44 178.83 1xmd h GLU 37 N 0.70 0.44 0.00 1.13 4.57 -1.32 -2.89 114.58 117.21 1xmd h GLU 37 Ca 0.31 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1xmd h GLU 37 Cb 0.21 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1xmd h GLU 37 CO -0.19 0.46 -0.14 0.66 -1.18 0.00 0.00 179.01 178.61 1xmd h SER 38 N 0.43 0.00 0.93 1.04 4.64 -0.69 -3.18 113.55 116.71 1xmd h SER 38 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xmd h SER 38 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xmd h SER 38 CO 0.01 0.14 -0.41 1.33 -0.87 0.00 0.00 176.83 177.03 1xmd n VAL 39 N -3.21 0.29 -0.23 0.95 0.24 -1.05 -4.34 118.33 110.98 1xmd n VAL 39 Ca 0.01 -0.19 0.02 0.00 -2.04 0.00 0.00 64.34 62.14 1xmd n VAL 39 Cb 0.46 -0.19 0.14 0.00 -1.47 0.00 0.00 33.84 32.78 1xmd n VAL 39 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1xmd h LYS 40 N 0.00 0.42 0.00 7.34 1.57 -1.59 -1.77 116.57 122.54 1xmd h LYS 40 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xmd h LYS 40 Cb 0.67 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1xmd h LYS 40 CO 0.00 0.28 0.01 -1.35 -0.57 0.00 0.00 179.45 177.82 1xmd h PRO 41 N 0.43 0.00 -0.14 3.15 0.11 -1.81 -2.42 132.00 131.31 1xmd h PRO 41 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1xmd h PRO 41 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1xmd h PRO 41 CO -0.35 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.63 1xmd n PHE 42 N -2.43 0.37 -4.11 0.65 3.72 -0.67 -4.94 117.46 110.05 1xmd n PHE 42 Ca -0.02 -0.76 -0.09 0.00 -0.05 0.00 0.00 57.45 56.53 1xmd n PHE 42 Cb 0.06 -0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 38.34 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 -2.11 0.67 0.55 4.37 0.00 -0.91 -5.03 121.76 119.29 1xmd s ALA 43 Ca 0.27 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1xmd s ALA 43 Cb 0.21 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.60 1xmd s ALA 43 CO 0.07 -0.29 0.65 0.54 0.00 0.00 0.00 175.76 176.72 1xmd s ASN 44 N -2.82 5.00 0.19 0.00 2.20 -1.26 -4.88 114.94 113.37 1xmd s ASN 44 Ca 0.07 -0.93 -0.21 0.00 -0.94 0.00 0.00 52.86 50.84 1xmd s ASN 44 Cb 0.05 0.23 0.12 0.00 -2.00 0.00 0.00 41.25 39.65 1xmd s ASN 44 CO -0.07 -1.20 1.58 -0.33 -2.94 0.00 0.00 177.10 174.14 1xmd h GLU 45 N 0.42 -0.15 0.46 3.55 5.08 -1.99 -1.00 114.58 120.95 1xmd h GLU 45 Ca -0.33 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1xmd h GLU 45 Cb 1.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1xmd h GLU 45 CO 0.47 -0.10 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.72 1xmd h ASP 46 N -0.15 -0.52 -0.97 1.42 3.32 -1.99 -0.91 116.42 116.61 1xmd h ASP 46 Ca 0.24 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1xmd h ASP 46 Cb 0.56 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 1xmd h ASP 46 CO -0.72 -0.37 0.62 -0.33 -1.72 0.00 0.00 179.24 176.72 1xmd h GLU 47 N -0.62 1.13 -0.73 3.56 5.08 -1.91 -1.30 114.58 119.79 1xmd h GLU 47 Ca -0.06 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1xmd h GLU 47 Cb 0.48 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1xmd h GLU 47 CO 0.10 0.75 0.20 -0.92 -1.00 0.00 0.00 179.01 178.15 1xmd h TYR 48 N 1.17 1.20 -0.70 4.33 3.20 -1.01 -1.06 116.97 124.10 1xmd h TYR 48 Ca 0.40 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1xmd h TYR 48 Cb 0.09 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1xmd h TYR 48 CO -0.01 0.96 0.23 0.87 -1.64 0.00 0.00 178.16 178.57 1xmd h LYS 49 N 1.10 1.08 -0.07 1.82 1.79 -0.39 0.68 116.57 122.58 1xmd h LYS 49 Ca 0.23 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xmd h LYS 49 Cb 0.34 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1xmd h LYS 49 CO -0.00 0.92 0.03 -0.22 -1.08 0.00 0.00 179.45 179.10 1xmd h LYS 50 N 1.02 0.10 -0.57 3.15 3.64 -1.02 -1.71 116.57 121.18 1xmd h LYS 50 Ca 0.23 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xmd h LYS 50 Cb 0.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1xmd h LYS 50 CO -0.01 0.20 0.35 1.15 -2.27 0.00 0.00 179.45 178.87 1xmd h THR 51 N -0.03 1.17 -0.96 1.00 2.02 -0.98 -0.56 112.91 114.56 1xmd h THR 51 Ca 0.02 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1xmd h THR 51 Cb 0.14 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1xmd h THR 51 CO -0.00 0.17 0.63 -0.08 0.37 0.00 0.00 175.52 176.61 1xmd h GLU 52 N 0.76 1.22 -0.28 6.66 4.81 -0.76 0.32 114.58 127.32 1xmd h GLU 52 Ca 0.20 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1xmd h GLU 52 Cb -0.03 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1xmd h GLU 52 CO -0.04 0.81 0.05 1.49 -0.73 0.00 0.00 179.01 180.58 1xmd h GLU 53 N 1.26 0.46 -0.74 1.92 4.57 -0.79 -1.38 114.58 119.87 1xmd h GLU 53 Ca 0.37 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1xmd h GLU 53 Cb -0.07 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1xmd h GLU 53 CO -0.10 0.57 0.48 0.82 -1.18 0.00 0.00 179.01 179.60 1xmd h ILE 54 N 0.27 1.20 -0.53 2.32 2.04 -0.53 -2.26 117.51 120.02 1xmd h ILE 54 Ca 0.08 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 1xmd h ILE 54 Cb 0.33 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1xmd h ILE 54 CO 0.01 0.20 -0.11 0.58 0.00 0.00 0.00 178.15 178.82 1xmd h VAL 55 N 1.01 1.27 -0.20 1.67 2.07 -0.79 -2.09 116.25 119.19 1xmd h VAL 55 Ca 0.27 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1xmd h VAL 55 Cb -0.09 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1xmd h VAL 55 CO -0.06 0.45 0.06 1.56 0.02 0.00 0.00 177.57 179.60 1xmd h GLN 56 N 0.89 0.31 -0.49 1.57 4.20 -1.04 -0.26 115.11 120.29 1xmd h GLN 56 Ca 0.14 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xmd h GLN 56 Cb 0.67 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1xmd h GLN 56 CO 0.05 0.41 0.30 0.87 -0.67 0.00 0.00 178.83 179.79 1xmd h LYS 57 N 0.15 0.67 -0.19 1.46 1.57 -1.39 -1.52 116.57 117.32 1xmd h LYS 57 Ca 0.06 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1xmd h LYS 57 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1xmd h LYS 57 CO -0.00 0.49 0.01 0.35 -0.57 0.00 0.00 179.45 179.72 1xmd h PHE 58 N 0.66 0.01 -0.60 -1.35 3.57 -1.24 0.13 116.94 118.12 1xmd h PHE 58 Ca 0.18 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1xmd h PHE 58 Cb -0.01 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1xmd h PHE 58 CO -0.03 -0.01 0.40 0.37 -2.23 0.00 0.00 178.31 176.81 1xmd h GLN 59 N 0.07 0.55 0.00 1.11 4.15 -0.66 0.72 115.11 121.05 1xmd h GLN 59 Ca 0.09 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 1xmd h GLN 59 Cb 0.10 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1xmd h GLN 59 CO -0.14 0.36 -1.15 0.93 -1.93 0.00 0.00 178.83 176.90 1xmd h GLU 60 N 0.56 0.00 0.00 1.69 5.08 -0.44 -3.33 114.58 118.14 1xmd h GLU 60 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1xmd h GLU 60 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xmd h GLU 60 CO -0.08 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 1xmd n GLY 61 N 1.38 0.96 0.23 -3.84 0.00 0.36 -4.79 105.19 99.49 1xmd n GLY 61 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.51 0.62 -0.97 4.61 0.00 -1.76 -2.01 119.26 120.26 1xmd h ALA 62 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1xmd h ALA 62 Cb 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1xmd h ALA 62 CO 0.00 -0.38 0.64 0.78 0.00 0.00 0.00 179.25 180.29 1xmd h GLY 63 N 0.13 1.38 1.02 0.00 0.00 -1.16 0.54 103.07 104.98 1xmd h GLY 63 Ca 0.32 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1xmd h GLY 63 CO -0.51 0.48 0.52 1.70 0.00 0.00 0.00 176.54 178.73 1xmd h LYS 64 N 1.30 1.23 -0.12 4.80 3.64 -1.32 0.23 116.57 126.32 1xmd h LYS 64 Ca 0.36 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1xmd h LYS 64 Cb -0.12 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.45 1xmd h LYS 64 CO -0.09 0.87 -0.35 -0.09 -2.27 0.00 0.00 179.45 177.53 1xmd h ARG 65 N 1.24 0.45 -0.77 1.90 9.65 -1.09 -2.33 114.38 123.42 1xmd h ARG 65 Ca 0.32 -0.32 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1xmd h ARG 65 Cb -0.02 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 1xmd h ARG 65 CO -0.06 0.94 0.38 -0.07 2.80 0.00 0.00 179.97 183.96 1xmd h LEU 66 N 0.03 0.99 -0.54 3.80 3.38 -0.68 -2.09 115.31 120.20 1xmd h LEU 66 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xmd h LEU 66 Cb 0.96 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1xmd h LEU 66 CO 0.07 0.83 0.29 -0.74 0.09 0.00 0.00 178.44 178.99 1xmd h HIS 67 N 1.10 0.75 -0.85 1.13 2.76 -0.50 -0.54 115.15 119.00 1xmd h HIS 67 Ca 0.27 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1xmd h HIS 67 Cb 0.10 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.77 1xmd h HIS 67 CO 0.01 0.56 0.54 0.37 -1.30 0.00 0.00 177.93 178.11 1xmd h GLN 68 N 0.73 1.03 -0.30 5.26 5.75 -0.97 -0.58 115.11 126.02 1xmd h GLN 68 Ca 0.19 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1xmd h GLN 68 Cb 0.06 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1xmd h GLN 68 CO -0.03 0.68 -0.12 0.87 -2.65 0.00 0.00 178.83 177.58 1xmd h LYS 69 N 1.06 0.51 -0.50 1.69 1.79 -0.84 -1.99 116.57 118.29 1xmd h LYS 69 Ca 0.34 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.56 1xmd h LYS 69 Cb 0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1xmd h LYS 69 CO -0.12 0.63 -0.08 1.25 -1.08 0.00 0.00 179.45 180.05 1xmd h LEU 70 N 0.48 0.93 -1.28 2.94 6.46 0.07 -1.84 115.31 123.06 1xmd h LEU 70 Ca 0.09 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1xmd h LEU 70 Cb 0.49 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1xmd h LEU 70 CO 0.03 1.06 0.15 -0.07 -0.62 0.00 0.00 178.44 178.99 1xmd h LEU 71 N 0.79 0.59 -0.91 2.25 3.38 -0.77 -1.45 115.31 119.19 1xmd h LEU 71 Ca 0.13 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1xmd h LEU 71 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xmd h LEU 71 CO 0.04 0.55 -0.38 -0.33 0.09 0.00 0.00 178.44 178.41 1xmd h GLU 72 N 0.64 0.33 -0.38 1.13 5.08 -1.00 -1.59 114.58 118.78 1xmd h GLU 72 Ca 0.15 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1xmd h GLU 72 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xmd h GLU 72 CO -0.01 0.66 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.57 1xmd h ARG 73 N 0.28 0.68 0.00 2.33 2.43 -0.48 -2.75 114.38 116.87 1xmd h ARG 73 Ca 0.03 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1xmd h ARG 73 Cb 0.80 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1xmd h ARG 73 CO 0.06 0.78 -0.20 0.00 -1.51 0.00 0.00 179.97 179.10 1xmd h ALA 74 N 0.87 1.39 0.00 2.80 0.00 -1.04 -1.87 119.26 121.41 1xmd h ALA 74 Ca 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xmd h ALA 74 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xmd h ALA 74 CO 0.02 0.25 -0.18 -0.09 0.00 0.00 0.00 179.25 179.25 1xmd h ARG 75 N 0.00 0.00 -0.19 0.00 2.43 -0.98 -2.88 114.38 112.76 1xmd h ARG 75 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xmd h ARG 75 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1xmd h ARG 75 CO 0.03 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.08 1xmd n GLY 76 N -0.95 1.05 2.74 2.80 0.00 -0.75 -4.95 105.19 105.15 1xmd n GLY 76 Ca -0.02 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.28 0.10 0.65 1.61 1.02 -0.94 -4.99 119.74 115.91 1xmd s LYS 77 Ca 0.25 0.23 0.43 0.00 0.02 0.00 0.00 55.97 56.90 1xmd s LYS 77 Cb 0.16 -0.49 2.27 0.00 -0.52 0.00 0.00 37.83 39.25 1xmd s LYS 77 CO 0.22 -0.24 2.31 0.00 -0.92 0.00 0.00 175.35 176.72 1xmd h ARG 78 N 7.85 0.00 -2.21 1.68 3.08 -1.91 -3.31 114.38 119.56 1xmd h ARG 78 Ca -0.29 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.41 1xmd h ARG 78 Cb 1.12 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.83 1xmd h ARG 78 CO 0.32 0.00 -0.66 1.21 -1.07 0.00 0.00 179.97 179.78 1xmd s ASN 79 N -5.20 1.87 0.56 7.04 3.84 -1.26 -0.89 114.94 120.90 1xmd s ASN 79 Ca -0.04 -0.88 0.35 0.00 0.21 0.00 0.00 52.86 52.49 1xmd s ASN 79 Cb 0.12 0.40 1.52 0.00 -0.55 0.00 0.00 41.25 42.75 1xmd s ASN 79 CO 0.42 -0.39 2.04 4.11 -2.79 0.00 0.00 177.10 180.50 1xmd h TRP 80 N 8.20 0.00 0.05 0.43 5.08 -1.84 -3.30 115.95 124.57 1xmd h TRP 80 Ca -0.13 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.49 1xmd h TRP 80 Cb 1.07 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.18 1xmd h TRP 80 CO 0.28 0.02 -2.10 -0.11 -1.28 0.00 0.00 178.44 175.26 1xmd n LEU 81 N -3.13 2.01 -0.12 0.11 7.94 -1.26 -4.72 117.00 117.82 1xmd n LEU 81 Ca -0.00 0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 55.01 1xmd n LEU 81 Cb 0.27 -0.59 -0.03 0.00 0.53 0.00 0.00 43.42 43.61 1xmd n LEU 81 CO 0.27 0.73 0.26 1.21 -1.11 0.00 0.00 177.39 178.74 1xmd n GLU 82 N -3.24 -0.13 -0.11 1.96 2.13 -1.25 -0.87 120.64 119.14 1xmd n GLU 82 Ca -0.32 0.68 -0.09 0.00 0.66 0.00 0.00 57.16 58.09 1xmd n GLU 82 Cb 1.05 -1.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.74 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 0.48 -0.32 5.31 4.81 -1.85 -2.19 114.58 120.82 1xmd h GLU 83 Ca 0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xmd h GLU 83 Cb 0.12 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1xmd h GLU 83 CO -0.28 0.42 0.16 -1.49 -0.73 0.00 0.00 179.01 177.09 1xmd h TRP 84 N 0.43 0.29 -0.31 0.92 6.55 -1.51 -2.38 115.95 119.94 1xmd h TRP 84 Ca 0.12 0.01 0.03 0.00 0.95 0.00 0.00 58.89 60.00 1xmd h TRP 84 Cb 0.08 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.27 1xmd h TRP 84 CO -0.02 0.16 0.13 2.35 -1.05 0.00 0.00 178.44 180.01 1xmd h TRP 85 N 0.33 0.25 -0.33 0.49 2.91 -0.90 0.59 115.95 119.29 1xmd h TRP 85 Ca 0.14 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.23 1xmd h TRP 85 Cb 0.05 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 1xmd h TRP 85 CO -0.10 0.12 -0.02 1.25 -1.03 0.00 0.00 178.44 178.66 1xmd h LEU 86 N 0.29 -0.18 0.27 0.65 5.85 -1.14 0.65 115.31 121.70 1xmd h LEU 86 Ca 0.13 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1xmd h LEU 86 Cb 0.07 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xmd h LEU 86 CO -0.11 -0.05 -0.13 0.78 -0.34 0.00 0.00 178.44 178.58 1xmd h ASN 87 N 0.07 -0.31 -0.26 1.25 -0.26 -1.12 -0.47 115.58 114.47 1xmd h ASN 87 Ca 0.16 -0.22 -0.13 0.00 -0.56 0.00 0.00 56.30 55.54 1xmd h ASN 87 Cb 0.23 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1xmd h ASN 87 CO -0.29 0.14 -0.32 0.58 -1.06 0.00 0.00 177.43 176.48 1xmd h VAL 88 N -0.85 1.28 0.00 2.81 2.07 -0.88 0.26 116.25 120.93 1xmd h VAL 88 Ca -0.04 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 65.91 1xmd h VAL 88 Cb 0.51 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1xmd h VAL 88 CO 0.06 0.48 -0.86 0.00 0.02 0.00 0.00 177.57 177.27 1xmd h ALA 89 N 0.99 0.67 0.00 1.67 0.00 -1.01 -3.43 119.26 118.15 1xmd h ALA 89 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xmd h ALA 89 Cb 0.85 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xmd h ALA 89 CO 0.07 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.60 1xmd n TYR 90 N -3.03 -1.02 0.23 0.00 4.01 -0.90 -4.85 117.16 111.61 1xmd n TYR 90 Ca -0.02 0.18 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 1xmd n TYR 90 Cb 0.74 0.34 0.52 0.00 -0.31 0.00 0.00 39.34 40.62 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 0.01 0.00 7.72 3.38 -1.00 -2.93 115.31 122.49 1xmd h LEU 91 Ca 0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xmd h LEU 91 Cb 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xmd h LEU 91 CO 0.00 0.16 -0.93 0.44 0.09 0.00 0.00 178.44 178.20 1xmd h ASP 92 N 0.01 0.00 -2.84 -0.43 3.32 -0.73 -0.92 116.42 114.83 1xmd h ASP 92 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1xmd h ASP 92 Cb 0.27 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.89 1xmd h ASP 92 CO 0.02 0.50 0.88 0.52 -1.72 0.00 0.00 179.24 179.44 1xmd n VAL 93 N -3.04 0.51 0.02 -1.35 0.31 -1.11 -4.82 118.33 108.85 1xmd n VAL 93 Ca -0.03 -0.13 0.06 0.00 -0.01 0.00 0.00 64.34 64.23 1xmd n VAL 93 Cb 0.77 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 1xmd n VAL 93 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xmd n ARG 94 N 2.96 0.64 -0.88 5.55 5.12 -1.26 -4.84 116.66 123.95 1xmd n ARG 94 Ca 0.13 0.02 -0.32 0.00 -1.93 0.00 0.00 57.85 55.74 1xmd n ARG 94 Cb 0.34 -1.68 0.14 0.00 -1.16 0.00 0.00 32.46 30.11 1xmd n ARG 94 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xmd n ILE 95 N -2.58 0.86 -1.61 0.55 -5.35 -1.26 -0.93 119.36 109.04 1xmd n ILE 95 Ca -0.07 -0.12 -0.44 0.00 -0.27 0.00 0.00 62.75 61.85 1xmd n ILE 95 Cb 0.69 -1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.54 1xmd n ILE 95 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1xmd n PRO 96 N -3.41 2.15 0.06 6.28 -0.02 -1.26 -4.23 135.00 134.58 1xmd n PRO 96 Ca 0.12 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1xmd n PRO 96 Cb 0.51 -3.10 -0.01 0.00 -0.02 0.00 0.00 33.50 30.89 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 13.44 0.47 -0.57 2.55 4.64 -1.86 -2.90 113.55 129.32 1xmd h SER 97 Ca -0.43 -0.35 0.12 0.00 -0.47 0.00 0.00 61.79 60.66 1xmd h SER 97 Cb 1.25 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 63.09 1xmd h SER 97 CO 0.96 1.12 -0.11 -0.61 -0.87 0.00 0.00 176.83 177.32 1xmd h GLN 98 N 0.23 0.02 0.11 4.77 4.15 -1.85 0.49 115.11 123.02 1xmd h GLN 98 Ca -0.05 -0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.13 1xmd h GLN 98 Cb 1.46 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1xmd h GLN 98 CO 0.14 0.01 -1.17 1.25 -1.93 0.00 0.00 178.83 177.13 1xmd h LEU 99 N 0.02 0.35 0.00 -2.39 5.85 -1.88 -3.32 115.31 113.94 1xmd h LEU 99 Ca 0.28 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1xmd h LEU 99 Cb 0.43 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xmd h LEU 99 CO -0.57 1.52 -0.38 0.59 -0.34 0.00 0.00 178.44 179.26 1xmd n ASN 100 N -4.05 0.55 0.00 1.25 3.02 -1.10 -4.58 115.26 110.35 1xmd n ASN 100 Ca -0.22 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1xmd n ASN 100 Cb 0.84 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.88 0.00 -1.65 2.41 0.31 0.16 -4.66 118.33 113.02 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 0.39 -0.43 0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.25 1.66 -4.83 4.52 5.03 -0.32 -4.47 115.26 114.61 1xmd n ASN 102 Ca 0.00 1.02 -0.32 0.00 0.87 0.00 0.00 54.58 56.16 1xmd n ASN 102 Cb 0.33 -1.42 -0.06 0.00 -1.02 0.00 0.00 39.78 37.62 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 -1.29 3.34 0.09 3.10 -0.12 -0.71 -4.78 117.98 117.60 1xmd s PHE 103 Ca 0.65 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.74 1xmd s PHE 103 Cb -0.51 -1.71 -0.04 0.00 -0.63 0.00 0.00 43.02 40.13 1xmd s PHE 103 CO 0.55 0.56 -0.08 0.14 -0.05 0.00 0.00 175.22 176.34 1xmd s VAL 104 N -1.36 0.77 -0.17 -2.49 -7.23 -0.80 -1.45 120.40 107.67 1xmd s VAL 104 Ca 0.29 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 1xmd s VAL 104 Cb -0.12 -1.32 0.10 0.00 0.56 0.00 0.00 36.38 35.59 1xmd s VAL 104 CO 0.21 -0.64 0.84 -0.83 -0.31 0.00 0.00 175.10 174.37 1xmd s GLY 105 N -2.49 -0.41 0.42 2.32 0.00 -0.91 -0.92 107.32 105.33 1xmd s GLY 105 Ca 0.05 1.91 -0.19 0.00 0.00 0.00 0.00 44.72 46.48 1xmd s GLY 105 CO -0.02 1.30 0.91 -4.14 0.00 0.00 0.00 173.10 171.15 1xmd s PRO 106 N -0.60 4.16 -0.10 2.90 0.02 -1.24 -1.00 135.00 139.14 1xmd s PRO 106 Ca -0.04 1.01 -0.27 0.00 0.02 0.00 0.00 61.00 61.72 1xmd s PRO 106 Cb -0.02 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1xmd s PRO 106 CO 0.03 -0.02 0.90 0.00 -0.33 0.00 0.00 177.00 177.58 1xmd n PRO 108 N 4.65 0.52 0.13 0.00 -0.04 -1.26 -4.21 135.00 134.79 1xmd n PRO 108 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1xmd n PRO 108 Cb 0.50 -1.13 0.50 0.00 -0.04 0.00 0.00 33.50 33.32 1xmd n PRO 108 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xmd n HIS 109 N -0.11 0.72 1.62 0.54 8.25 -1.26 -2.14 115.22 122.83 1xmd n HIS 109 Ca 0.00 0.32 0.07 0.00 -0.26 0.00 0.00 57.72 57.85 1xmd n HIS 109 Cb 0.07 -1.01 0.34 0.00 1.12 0.00 0.00 29.99 30.51 1xmd n HIS 109 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1xmd n PHE 110 N -2.18 0.13 0.80 4.41 1.16 -1.23 -1.61 117.46 118.94 1xmd n PHE 110 Ca 0.01 -0.06 0.12 0.00 -1.87 0.00 0.00 57.45 55.65 1xmd n PHE 110 Cb 0.15 0.00 0.26 0.00 -1.61 0.00 0.00 39.48 38.28 1xmd n PHE 110 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1xmd n GLU 111 N -0.23 0.14 0.00 3.97 1.02 -0.91 -4.46 120.64 120.16 1xmd n GLU 111 Ca 0.12 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1xmd n GLU 111 Cb 0.16 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1xmd n GLU 111 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1xmd n HIS 112 N -1.79 0.00 0.24 -0.32 1.44 -1.17 -5.02 115.22 108.60 1xmd n HIS 112 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.87 1xmd n HIS 112 Cb 0.38 0.00 0.56 0.00 0.12 0.00 0.00 29.99 31.05 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 -2.30 -1.40 0.05 -1.91 -3.36 116.97 108.06 1xmd h TYR 113 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 1xmd h TYR 113 Cb 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 37.34 1xmd h TYR 113 CO 0.00 0.18 -0.36 0.91 -1.05 0.00 0.00 178.16 177.84 1xmd n TRP 114 N -3.42 3.59 -1.23 4.88 8.01 -0.63 -4.92 117.44 123.72 1xmd n TRP 114 Ca -0.00 -3.85 -0.31 0.00 -1.31 0.00 0.00 57.50 52.03 1xmd n TRP 114 Cb 0.37 -0.65 0.11 0.00 -2.01 0.00 0.00 31.31 29.13 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 -2.95 1.91 0.18 -0.99 0.04 -1.26 -3.47 135.00 128.46 1xmd s PRO 115 Ca 0.42 1.07 -0.33 0.00 0.04 0.00 0.00 61.00 62.19 1xmd s PRO 115 Cb 0.18 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.72 1xmd s PRO 115 CO -0.05 -1.86 1.51 0.00 0.04 0.00 0.00 177.00 176.65 1xmd n ALA 116 N -3.65 1.08 -3.42 8.56 0.00 -1.26 -4.90 120.51 116.91 1xmd n ALA 116 Ca 0.08 0.44 0.01 0.00 0.00 0.00 0.00 53.44 53.98 1xmd n ALA 116 Cb 0.54 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 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 0.51 0.29 0.68 0.00 3.52 0.12 -5.02 118.95 119.05 1xmd s ARG 117 Ca 0.76 0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 56.90 1xmd s ARG 117 Cb -0.70 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 1xmd s ARG 117 CO 0.42 -0.10 1.27 -1.21 -0.81 0.00 0.00 175.30 174.88 1xmd s GLU 118 N 2.32 2.37 0.00 5.12 0.41 -1.26 -3.18 118.70 124.48 1xmd s GLU 118 Ca -0.03 2.00 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 1xmd s GLU 118 Cb -0.06 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1xmd s GLU 118 CO -0.17 -1.72 0.00 0.41 -0.49 0.00 0.00 175.26 173.29 1xmd n GLY 119 N 0.80 1.55 1.00 -1.39 0.00 -1.25 -4.88 105.19 101.02 1xmd n GLY 119 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 0.49 0.06 2.61 -2.24 -1.19 -4.67 114.28 107.34 1xmd n THR 120 Ca 0.00 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1xmd n THR 120 Cb 0.00 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 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 3.88 -0.26 -0.19 -0.78 4.15 -1.83 -1.80 115.11 118.29 1xmd h GLN 121 Ca 0.00 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1xmd h GLN 121 Cb 0.89 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 1xmd h GLN 121 CO 0.00 -0.17 -0.12 -0.07 -1.93 0.00 0.00 178.83 176.53 1xmd h LEU 122 N -0.27 0.43 0.43 -2.39 4.07 -1.93 -0.69 115.31 114.96 1xmd h LEU 122 Ca 0.05 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 1xmd h LEU 122 Cb 0.34 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1xmd h LEU 122 CO -0.15 0.78 -0.21 1.05 -1.08 0.00 0.00 178.44 178.83 1xmd h GLU 123 N 0.09 -0.56 -0.85 1.13 9.09 -1.86 -1.07 114.58 120.56 1xmd h GLU 123 Ca 0.04 0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.46 1xmd h GLU 123 Cb 0.63 0.13 -0.04 0.00 -1.65 0.00 0.00 28.75 27.82 1xmd h GLU 123 CO 0.03 -0.33 0.45 0.00 0.05 0.00 0.00 179.01 179.22 1xmd h ARG 124 N -0.65 1.20 -0.82 1.06 3.08 -1.43 -2.50 114.38 114.32 1xmd h ARG 124 Ca -0.06 -0.15 0.12 0.00 0.07 0.00 0.00 59.98 59.96 1xmd h ARG 124 Cb 0.48 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 1xmd h ARG 124 CO 0.10 0.89 0.43 0.78 -1.07 0.00 0.00 179.97 181.10 1xmd h GLY 125 N 1.19 1.31 1.05 0.04 0.00 -0.88 -0.56 103.07 105.23 1xmd h GLY 125 Ca 0.30 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1xmd h GLY 125 CO -0.04 0.02 0.61 1.48 0.00 0.00 0.00 176.54 178.61 1xmd h SER 126 N 0.67 1.05 0.29 0.19 4.64 -0.73 -1.86 113.55 117.80 1xmd h SER 126 Ca 0.43 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.51 1xmd h SER 126 Cb 0.53 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1xmd h SER 126 CO -0.32 0.75 -0.89 0.24 -0.87 0.00 0.00 176.83 175.74 1xmd h MET 127 N 1.23 0.43 -0.40 4.77 2.07 -1.20 -2.39 114.93 119.44 1xmd h MET 127 Ca 0.35 -0.43 0.04 0.00 -2.07 0.00 0.00 59.70 57.59 1xmd h MET 127 Cb -0.10 0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 1xmd h MET 127 CO -0.09 1.09 0.17 0.52 1.07 0.00 0.00 176.91 179.67 1xmd h MET 128 N 0.26 0.35 -0.55 1.72 2.86 -0.70 -0.56 114.93 118.30 1xmd h MET 128 Ca -0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1xmd h MET 128 Cb 1.51 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 1xmd h MET 128 CO 0.15 0.23 0.23 -0.07 1.06 0.00 0.00 176.91 178.51 1xmd h LEU 129 N 0.36 0.75 0.02 1.22 3.38 -1.34 -1.51 115.31 118.19 1xmd h LEU 129 Ca 0.18 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xmd h LEU 129 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xmd h LEU 129 CO -0.15 0.71 -0.17 -0.25 0.09 0.00 0.00 178.44 178.68 1xmd h TRP 130 N 0.75 -0.43 -0.40 1.13 2.91 -0.86 0.57 115.95 119.63 1xmd h TRP 130 Ca 0.18 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 1xmd h TRP 130 Cb 0.19 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 1xmd h TRP 130 CO 0.01 -0.24 0.03 0.45 -1.03 0.00 0.00 178.44 177.66 1xmd h HIS 131 N -0.28 0.73 -0.80 2.65 3.86 -1.05 -1.48 115.15 118.78 1xmd h HIS 131 Ca 0.05 -0.11 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1xmd h HIS 131 Cb 0.34 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 1xmd h HIS 131 CO -0.21 0.74 0.49 -0.91 0.86 0.00 0.00 177.93 178.90 1xmd h ASN 132 N 0.52 0.78 0.31 2.45 2.35 -1.11 -1.72 115.58 119.16 1xmd h ASN 132 Ca 0.12 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1xmd h ASN 132 Cb 0.42 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1xmd h ASN 132 CO 0.01 0.51 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.77 1xmd h LEU 133 N 0.91 0.20 -1.22 1.61 3.38 -0.66 -2.58 115.31 116.95 1xmd h LEU 133 Ca 0.34 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1xmd h LEU 133 Cb 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xmd h LEU 133 CO -0.16 0.64 -0.34 0.78 0.09 0.00 0.00 178.44 179.45 1xmd h ASN 134 N 0.15 0.09 -0.30 -0.43 2.35 -0.42 -1.87 115.58 115.15 1xmd h ASN 134 Ca 0.01 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1xmd h ASN 134 Cb 0.88 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1xmd h ASN 134 CO 0.07 0.42 -0.14 0.22 -1.65 0.00 0.00 177.43 176.35 1xmd h TYR 135 N 0.08 0.71 -0.81 1.19 5.03 -1.01 -1.65 116.97 120.50 1xmd h TYR 135 Ca 0.01 -0.18 0.04 0.00 2.58 0.00 0.00 58.73 61.18 1xmd h TYR 135 Cb 0.64 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.70 1xmd h TYR 135 CO 0.00 0.85 0.51 2.35 -1.32 0.00 0.00 178.16 180.56 1xmd h TRP 136 N 0.37 0.96 -0.72 -3.82 7.01 -1.13 -0.64 115.95 117.97 1xmd h TRP 136 Ca 0.07 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 1xmd h TRP 136 Cb 0.66 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1xmd h TRP 136 CO 0.06 0.53 0.31 1.96 -2.79 0.00 0.00 178.44 178.51 1xmd h GLN 137 N 0.98 1.06 -0.85 2.65 4.20 -1.14 0.56 115.11 122.57 1xmd h GLN 137 Ca 0.33 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1xmd h GLN 137 Cb 0.06 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1xmd h GLN 137 CO -0.13 0.85 0.54 1.25 -0.67 0.00 0.00 178.83 180.66 1xmd h LEU 138 N 1.04 0.99 -0.04 1.46 5.85 -0.21 -1.59 115.31 122.81 1xmd h LEU 138 Ca 0.25 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xmd h LEU 138 Cb 0.17 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1xmd h LEU 138 CO -0.02 0.74 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.71 1xmd h LEU 139 N 1.15 0.10 -1.73 2.25 3.38 -0.48 0.37 115.31 120.36 1xmd h LEU 139 Ca 0.31 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1xmd h LEU 139 Cb -0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xmd h LEU 139 CO -0.06 0.56 0.22 -0.09 0.09 0.00 0.00 178.44 179.16 1xmd h ARG 140 N -0.35 0.35 -0.09 1.13 2.43 -0.79 0.63 114.38 117.70 1xmd h ARG 140 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xmd h ARG 140 Cb 0.53 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1xmd h ARG 140 CO 0.01 0.23 0.00 0.54 -1.51 0.00 0.00 179.97 179.24 1xmd n ARG 141 N -4.49 1.72 -3.76 0.20 1.74 -0.61 -0.81 116.66 110.64 1xmd n ARG 141 Ca 0.03 -1.06 -0.27 0.00 -0.77 0.00 0.00 57.85 55.78 1xmd n ARG 141 Cb 0.14 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.28 -6.45 0.01 5.56 1.02 0.21 -4.88 120.64 116.40 1xmd n GLU 142 Ca 0.18 0.70 0.11 0.00 -0.02 0.00 0.00 57.16 58.12 1xmd n GLU 142 Cb 0.35 -5.63 -0.05 0.00 -0.02 0.00 0.00 31.44 26.09 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 -4.75 0.18 -1.93 3.49 4.76 0.13 -2.39 118.16 117.65 1xmd n LYS 143 Ca -0.01 -0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 54.98 1xmd n LYS 143 Cb 0.56 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -3.49 4.37 0.30 -0.35 2.96 -1.16 -4.91 118.68 116.40 1xmd s LEU 144 Ca 0.05 2.63 -0.30 0.00 -0.22 0.00 0.00 54.13 56.29 1xmd s LEU 144 Cb 0.15 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 43.13 1xmd s LEU 144 CO 0.84 -0.82 1.54 -2.65 -1.32 0.00 0.00 176.35 173.94 1xmd n PRO 145 N 3.81 2.57 -2.24 0.98 -0.02 -1.26 -3.92 135.00 134.92 1xmd n PRO 145 Ca 0.13 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.11 1xmd n PRO 145 Cb 0.39 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 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 -0.24 3.43 0.14 -1.45 1.01 -1.26 -4.98 120.40 117.05 1xmd s VAL 146 Ca 0.62 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1xmd s VAL 146 Cb -0.52 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1xmd s VAL 146 CO 0.52 0.11 1.12 -1.00 0.00 0.00 0.00 175.10 175.85 1xmd s HIS 147 N 0.77 3.55 0.04 5.22 3.76 -1.26 -4.96 115.29 122.40 1xmd s HIS 147 Ca 0.61 1.52 0.03 0.00 -0.15 0.00 0.00 55.06 57.07 1xmd s HIS 147 Cb -0.35 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.01 1xmd s HIS 147 CO 0.32 -0.77 -0.09 0.15 -0.85 0.00 0.00 174.74 173.51 1xmd s LYS 148 N 0.05 0.59 -0.47 1.40 1.02 -1.26 -0.26 119.74 120.82 1xmd s LYS 148 Ca 0.52 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.75 1xmd s LYS 148 Cb -0.29 -0.45 0.12 0.00 -0.52 0.00 0.00 37.83 36.68 1xmd s LYS 148 CO 0.33 0.10 0.34 0.45 -0.92 0.00 0.00 175.35 175.65 1xmd s SER 149 N -1.27 5.69 1.28 2.83 0.15 0.24 -4.88 113.70 117.74 1xmd s SER 149 Ca -0.05 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1xmd s SER 149 Cb -0.08 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1xmd s SER 149 CO 0.01 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1xmd n GLY 150 N 4.91 1.45 0.09 9.45 0.00 -1.26 -0.53 105.19 119.29 1xmd n GLY 150 Ca -0.08 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xmd n GLY 150 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xmd n ASN 151 N 10.27 1.85 -4.63 1.61 3.02 -1.26 -4.99 115.26 121.13 1xmd n ASN 151 Ca 0.00 -1.73 -0.40 0.00 -0.03 0.00 0.00 54.58 52.43 1xmd n ASN 151 Cb 0.00 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1xmd n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xmd s THR 152 N -0.75 5.08 0.44 3.41 2.01 0.30 -5.06 115.64 121.08 1xmd s THR 152 Ca 0.03 0.90 -0.23 0.00 0.31 0.00 0.00 61.69 62.70 1xmd s THR 152 Cb 0.02 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1xmd s THR 152 CO 0.02 0.11 1.14 -2.16 -0.69 0.00 0.00 174.62 173.04 1xmd s PRO 153 N 2.11 3.89 0.17 4.92 0.04 -1.26 0.80 135.00 145.67 1xmd s PRO 153 Ca 0.22 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.04 1xmd s PRO 153 Cb -0.16 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1xmd s PRO 153 CO 0.09 -0.42 0.00 -0.51 0.04 0.00 0.00 177.00 176.20 1xmd s LEU 154 N -2.88 3.34 0.28 -3.56 1.43 0.64 -4.81 118.68 113.13 1xmd s LEU 154 Ca 0.61 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1xmd s LEU 154 Cb -0.27 -2.00 -0.12 0.00 0.03 0.00 0.00 46.19 43.83 1xmd s LEU 154 CO 0.33 0.09 1.46 -0.67 0.23 0.00 0.00 176.35 177.80 1xmd n ASP 155 N -0.08 3.20 -0.19 2.29 2.03 0.81 -4.60 116.55 120.02 1xmd n ASP 155 Ca -0.10 1.16 0.02 0.00 0.52 0.00 0.00 54.79 56.39 1xmd n ASP 155 Cb 0.55 -1.50 0.03 0.00 -0.72 0.00 0.00 41.12 39.48 1xmd n ASP 155 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1xmd n MET 156 N 1.80 0.79 -0.34 -0.67 2.81 -1.26 -4.79 117.12 115.46 1xmd n MET 156 Ca 0.09 -1.09 0.13 0.00 -1.81 0.00 0.00 57.70 55.02 1xmd n MET 156 Cb 0.34 -1.09 0.34 0.00 -0.71 0.00 0.00 33.22 32.10 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 0.80 0.75 -0.01 7.83 -0.73 -1.96 -1.50 115.58 120.76 1xmd h ASN 157 Ca 0.00 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1xmd h ASN 157 Cb 0.32 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.86 1xmd h ASN 157 CO 0.00 0.28 0.03 1.56 -0.37 0.00 0.00 177.43 178.93 1xmd h GLN 158 N 0.74 0.00 0.00 6.67 4.20 -1.91 -0.70 115.11 124.11 1xmd h GLN 158 Ca 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 1xmd h GLN 158 Cb 0.91 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1xmd h GLN 158 CO -0.35 0.00 -0.05 0.74 -0.67 0.00 0.00 178.83 178.49 1xmd h PHE 159 N 0.00 0.00 0.00 2.96 0.04 -1.65 -1.45 116.94 116.84 1xmd h PHE 159 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1xmd h PHE 159 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xmd h PHE 159 CO 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 1xmd h ARG 160 N 0.00 0.00 -0.01 1.51 3.08 -1.29 -3.10 114.38 114.58 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xmd h ARG 160 CO 0.01 0.00 -0.34 -1.33 -1.07 0.00 0.00 179.97 177.24 1xmd n MET 161 N -2.51 0.81 -0.04 0.04 2.81 -0.55 -4.33 117.12 113.36 1xmd n MET 161 Ca 0.03 -0.53 -0.12 0.00 -1.81 0.00 0.00 57.70 55.27 1xmd n MET 161 Cb 0.32 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.27 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 1.29 0.24 -9.47 4.03 5.85 -1.62 -3.42 115.31 112.23 1xmd h LEU 162 Ca 0.00 -0.35 -0.63 0.00 0.84 0.00 0.00 57.88 57.74 1xmd h LEU 162 Cb 0.55 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 1xmd h LEU 162 CO 0.00 0.53 -0.67 -0.36 -0.34 0.00 0.00 178.44 177.61 1xmd s PHE 163 N -4.82 2.89 -1.56 1.25 0.08 -1.26 -4.33 117.98 110.22 1xmd s PHE 163 Ca -0.14 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 1xmd s PHE 163 Cb 0.05 -1.44 0.09 0.00 -0.57 0.00 0.00 43.02 41.15 1xmd s PHE 163 CO 0.72 0.49 0.74 0.43 -0.10 0.00 0.00 175.22 177.50 1xmd n SER 164 N 0.22 -2.85 -3.99 1.36 7.64 -0.44 -4.09 113.62 111.47 1xmd n SER 164 Ca -0.11 -0.94 -0.21 0.00 1.01 0.00 0.00 58.87 58.63 1xmd n SER 164 Cb 0.54 -3.20 -0.16 0.00 -1.01 0.00 0.00 64.21 60.38 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 -3.48 0.78 -0.13 0.44 2.01 -1.26 -0.24 115.64 113.76 1xmd s THR 165 Ca 0.50 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 1xmd s THR 165 Cb -0.26 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1xmd s THR 165 CO 0.89 0.25 0.47 0.00 -0.69 0.00 0.00 174.62 175.54 1xmd s LYS 167 N -0.29 3.91 -0.09 0.00 2.20 0.69 -0.88 119.74 125.28 1xmd s LYS 167 Ca -0.05 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1xmd s LYS 167 Cb -0.03 -2.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1xmd s LYS 167 CO 0.03 0.18 -0.14 0.08 -0.36 0.00 0.00 175.35 175.14 1xmd s VAL 168 N -1.98 1.34 0.52 4.02 1.01 0.24 -4.80 120.40 120.75 1xmd s VAL 168 Ca 0.52 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1xmd s VAL 168 Cb -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1xmd s VAL 168 CO 0.20 0.41 1.24 -2.16 0.00 0.00 0.00 175.10 174.79 1xmd s PRO 169 N 0.88 3.38 0.21 2.72 0.04 -1.26 -1.35 135.00 139.61 1xmd s PRO 169 Ca -0.10 1.94 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1xmd s PRO 169 Cb -0.15 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 1xmd s PRO 169 CO 0.01 -0.91 -0.10 0.20 0.04 0.00 0.00 177.00 176.23 1xmd s GLY 170 N -1.28 1.44 0.17 0.56 0.00 -1.25 -4.74 107.32 102.23 1xmd s GLY 170 Ca 0.69 -1.68 -0.13 0.00 0.00 0.00 0.00 44.72 43.60 1xmd s GLY 170 CO 0.39 -1.73 1.74 -2.22 0.00 0.00 0.00 173.10 171.28 1xmd h ILE 171 N 2.54 1.21 0.00 0.90 1.08 -1.90 -3.37 117.51 117.97 1xmd h ILE 171 Ca -0.38 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1xmd h ILE 171 Cb 1.22 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1xmd h ILE 171 CO 0.64 0.23 -0.85 0.35 -0.69 0.00 0.00 178.15 177.83 1xmd n THR 172 N -4.56 0.00 -3.70 -0.27 -2.24 -1.26 -4.64 114.28 97.62 1xmd n THR 172 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1xmd n THR 172 Cb 0.13 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.72 0.25 0.91 -0.78 3.52 -1.26 -4.62 118.95 115.24 1xmd s ARG 173 Ca 0.00 0.70 -0.14 0.00 -0.13 0.00 0.00 55.73 56.16 1xmd s ARG 173 Cb 0.00 -0.03 0.14 0.00 -1.56 0.00 0.00 34.95 33.50 1xmd s ARG 173 CO 0.00 -0.20 1.20 -0.51 -0.81 0.00 0.00 175.30 174.98 1xmd s ASP 174 N 1.70 3.60 0.05 -2.12 1.01 -0.35 -3.79 116.67 116.76 1xmd s ASP 174 Ca -0.06 0.68 -0.00 0.00 0.71 0.00 0.00 52.55 53.87 1xmd s ASP 174 Cb -0.10 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.74 1xmd s ASP 174 CO -0.10 -2.47 -0.04 -0.94 0.21 0.00 0.00 175.17 171.84 1xmd s SER 175 N -4.47 0.51 -0.17 0.27 1.04 -0.46 -4.88 113.70 105.55 1xmd s SER 175 Ca 0.66 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 56.21 1xmd s SER 175 Cb -0.10 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 1xmd s SER 175 CO 0.52 -0.49 -0.05 -0.63 0.98 0.00 0.00 173.24 173.57 1xmd s ILE 176 N -3.12 3.72 -0.28 -1.02 -1.09 -1.26 -0.60 121.20 117.56 1xmd s ILE 176 Ca 0.01 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1xmd s ILE 176 Cb 0.02 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1xmd s ILE 176 CO -0.07 0.48 0.10 -0.04 -1.23 0.00 0.00 174.94 174.18 1xmd s MET 177 N 0.58 3.39 -0.38 2.79 -1.94 -0.06 -4.99 119.30 118.68 1xmd s MET 177 Ca -0.03 -0.67 -0.03 0.00 -1.71 0.00 0.00 55.69 53.25 1xmd s MET 177 Cb -0.15 -3.41 0.10 0.00 2.01 0.00 0.00 34.83 33.38 1xmd s MET 177 CO 0.03 -0.34 0.16 1.21 -0.01 0.00 0.00 175.02 176.07 1xmd s ASN 178 N 1.58 5.18 0.00 3.03 2.47 -1.26 -1.34 114.94 124.60 1xmd s ASN 178 Ca 0.05 -1.86 0.24 0.00 0.42 0.00 0.00 52.86 51.72 1xmd s ASN 178 Cb -0.16 -1.80 0.40 0.00 -1.45 0.00 0.00 41.25 38.23 1xmd s ASN 178 CO 0.04 -0.48 1.34 -1.22 -3.72 0.00 0.00 177.10 173.06 1xmd n TYR 179 N 4.60 0.00 -1.87 0.43 4.01 0.67 -4.96 117.16 120.04 1xmd n TYR 179 Ca -0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 1xmd n TYR 179 Cb 0.42 -0.16 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 -2.86 2.41 -0.08 -0.72 5.36 -1.21 -4.64 117.98 116.24 1xmd s PHE 180 Ca 0.14 1.39 -0.16 0.00 -0.96 0.00 0.00 56.93 57.35 1xmd s PHE 180 Cb 0.18 -3.73 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 1xmd s PHE 180 CO 0.68 -2.64 0.38 0.15 -1.46 0.00 0.00 175.22 172.33 1xmd s LYS 181 N -2.82 0.60 0.69 10.12 1.02 -1.26 -5.06 119.74 123.03 1xmd s LYS 181 Ca 0.69 0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.79 1xmd s LYS 181 Cb -0.39 0.28 0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1xmd s LYS 181 CO 0.46 -0.13 1.03 0.95 -0.92 0.00 0.00 175.35 176.73 1xmd s THR 182 N -0.60 2.74 0.26 2.17 -4.23 -1.26 -4.69 115.64 110.04 1xmd s THR 182 Ca -0.07 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1xmd s THR 182 Cb -0.04 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.89 1xmd s THR 182 CO 0.03 -0.21 1.89 -0.33 -0.54 0.00 0.00 174.62 175.47 1xmd h GLU 183 N -0.58 1.18 0.00 3.99 5.08 -1.19 -1.22 114.58 121.84 1xmd h GLU 183 Ca -0.45 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1xmd h GLU 183 Cb 1.29 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1xmd h GLU 183 CO 0.62 0.78 0.00 0.77 -1.00 0.00 0.00 179.01 180.18 1xmd h SER 184 N 1.22 0.00 0.13 1.42 0.02 -1.93 -3.19 113.55 111.22 1xmd h SER 184 Ca 0.42 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 61.01 1xmd h SER 184 Cb 0.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1xmd h SER 184 CO -0.15 0.00 -2.14 -0.62 -1.14 0.00 0.00 176.83 172.78 1xmd n GLU 185 N -2.53 0.70 -1.85 3.45 1.02 -0.53 -5.10 120.64 115.80 1xmd n GLU 185 Ca 0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1xmd n GLU 185 Cb 0.25 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1xmd n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmd n GLY 186 N 1.97 -0.39 3.81 0.62 0.00 -0.81 -4.96 105.19 105.43 1xmd n GLY 186 Ca -0.34 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.50 3.67 -0.03 1.61 5.65 -1.26 -4.45 115.29 116.97 1xmd s HIS 187 Ca 0.00 1.49 0.04 0.00 0.25 0.00 0.00 55.06 56.85 1xmd s HIS 187 Cb 0.00 -2.70 -0.01 0.00 -1.18 0.00 0.00 32.58 28.70 1xmd s HIS 187 CO 0.00 0.31 -0.17 0.00 -0.65 0.00 0.00 174.74 174.23 1xmd n PRO 189 N 3.03 0.79 -0.30 0.00 -0.02 -1.26 -4.90 135.00 132.34 1xmd n PRO 189 Ca -0.17 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1xmd n PRO 189 Cb 0.53 -1.72 0.14 0.00 -0.02 0.00 0.00 33.50 32.44 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 -0.93 1.73 -4.40 3.45 -2.24 -1.26 -4.73 114.28 105.89 1xmd n THR 190 Ca 0.11 -2.27 -0.27 0.00 -2.27 0.00 0.00 64.05 59.36 1xmd n THR 190 Cb 0.41 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.60 2.24 0.31 4.78 -3.43 -1.26 -0.70 115.29 114.64 1xmd s HIS 191 Ca 0.31 -0.37 0.09 0.00 -0.80 0.00 0.00 55.06 54.29 1xmd s HIS 191 Cb 0.28 -1.13 -0.05 0.00 -1.43 0.00 0.00 32.58 30.25 1xmd s HIS 191 CO -0.01 0.45 0.00 0.96 -2.00 0.00 0.00 174.74 174.14 1xmd s ILE 192 N -1.59 2.87 -0.06 -5.38 -4.36 -0.80 -0.66 121.20 111.22 1xmd s ILE 192 Ca 0.19 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 1xmd s ILE 192 Cb -0.08 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.83 1xmd s ILE 192 CO 0.09 -0.26 -0.20 0.00 0.24 0.00 0.00 174.94 174.80 1xmd s ALA 193 N -2.46 2.38 -0.09 2.27 0.00 -1.05 -2.41 121.76 120.41 1xmd s ALA 193 Ca 0.34 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1xmd s ALA 193 Cb -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1xmd s ALA 193 CO 0.19 0.44 -0.20 0.08 0.00 0.00 0.00 175.76 176.27 1xmd s VAL 194 N -0.27 2.42 -0.15 0.00 1.01 0.23 -0.28 120.40 123.36 1xmd s VAL 194 Ca 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1xmd s VAL 194 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1xmd s VAL 194 CO 0.03 0.56 -0.07 -0.76 0.00 0.00 0.00 175.10 174.85 1xmd s LEU 195 N 0.05 3.06 -0.16 3.92 1.43 -0.06 0.17 118.68 127.09 1xmd s LEU 195 Ca -0.08 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1xmd s LEU 195 Cb -0.15 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 1xmd s LEU 195 CO 0.05 0.17 0.40 0.00 0.23 0.00 0.00 176.35 177.20 1xmd n ARG 197 N 3.58 -1.67 -1.98 0.00 5.12 -1.26 -0.14 116.66 120.31 1xmd n ARG 197 Ca -0.18 0.32 -0.19 0.00 -1.93 0.00 0.00 57.85 55.87 1xmd n ARG 197 Cb 0.56 -3.86 -0.04 0.00 -1.16 0.00 0.00 32.46 27.96 1xmd n ARG 197 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xmd n GLY 198 N -1.96 0.61 3.32 -0.13 0.00 -1.25 -0.65 105.19 105.13 1xmd n GLY 198 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.32 1.29 -0.02 1.61 0.52 0.80 -1.31 118.95 117.51 1xmd s ARG 199 Ca 0.00 -1.63 0.04 0.00 -0.52 0.00 0.00 55.73 53.62 1xmd s ARG 199 Cb 0.00 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.81 1xmd s ARG 199 CO 0.00 -0.05 -0.15 0.00 0.02 0.00 0.00 175.30 175.12 1xmd s ALA 200 N -3.37 1.31 0.12 2.13 0.00 -1.26 -0.52 121.76 120.17 1xmd s ALA 200 Ca 0.26 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1xmd s ALA 200 Cb 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1xmd s ALA 200 CO 0.07 0.28 -0.01 -0.06 0.00 0.00 0.00 175.76 176.04 1xmd s PHE 201 N -0.17 0.91 0.06 0.00 0.40 0.13 0.19 117.98 119.50 1xmd s PHE 201 Ca 0.02 -1.04 -0.12 0.00 -0.60 0.00 0.00 56.93 55.19 1xmd s PHE 201 Cb -0.08 -0.54 0.01 0.00 0.51 0.00 0.00 43.02 42.92 1xmd s PHE 201 CO 0.00 -0.29 0.26 0.14 0.70 0.00 0.00 175.22 176.04 1xmd s VAL 202 N -3.78 0.10 -0.03 -0.44 -7.23 -0.38 0.75 120.40 109.40 1xmd s VAL 202 Ca 0.17 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1xmd s VAL 202 Cb 0.06 -1.06 0.08 0.00 0.56 0.00 0.00 36.38 36.03 1xmd s VAL 202 CO -0.02 -0.46 0.75 0.72 -0.31 0.00 0.00 175.10 175.78 1xmd s PHE 203 N -3.01 -0.55 0.32 2.82 -0.71 -1.01 -1.27 117.98 114.57 1xmd s PHE 203 Ca -0.02 0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 56.39 1xmd s PHE 203 Cb 0.01 0.46 -0.09 0.00 -1.21 0.00 0.00 43.02 42.18 1xmd s PHE 203 CO -0.06 -0.60 1.05 0.34 -1.34 0.00 0.00 175.22 174.61 1xmd s ASP 204 N -1.60 7.12 0.00 1.98 -1.08 -1.26 -1.90 116.67 119.92 1xmd s ASP 204 Ca -0.05 2.12 0.25 0.00 -0.52 0.00 0.00 52.55 54.34 1xmd s ASP 204 Cb -0.00 -2.61 0.41 0.00 -1.46 0.00 0.00 42.92 39.26 1xmd s ASP 204 CO 0.02 -0.24 1.35 1.33 0.52 0.00 0.00 175.17 178.15 1xmd n VAL 205 N 0.70 0.00 -4.14 1.11 0.24 0.13 -4.91 118.33 111.46 1xmd n VAL 205 Ca 0.01 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 1xmd n VAL 205 Cb 0.47 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.55 3.49 -0.21 1.34 1.43 -1.26 -1.27 118.68 119.64 1xmd s LEU 206 Ca 0.20 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1xmd s LEU 206 Cb 0.19 -2.18 0.09 0.00 0.03 0.00 0.00 46.19 44.32 1xmd s LEU 206 CO 0.57 0.14 0.46 -2.28 0.23 0.00 0.00 176.35 175.47 1xmd s HIS 207 N -1.48 -0.88 -1.46 0.29 2.46 0.18 -4.86 115.29 109.54 1xmd s HIS 207 Ca 0.27 1.65 -0.10 0.00 0.47 0.00 0.00 55.06 57.35 1xmd s HIS 207 Cb -0.11 0.39 0.05 0.00 -0.13 0.00 0.00 32.58 32.79 1xmd s HIS 207 CO 0.19 -0.50 0.81 0.39 -2.47 0.00 0.00 174.74 173.17 1xmd n GLU 208 N 5.24 -5.28 0.00 2.88 1.02 -1.26 -1.73 120.64 121.52 1xmd n GLU 208 Ca -0.11 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1xmd n GLU 208 Cb 0.50 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 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 -1.59 3.21 3.73 0.62 0.00 -1.26 -5.03 105.19 104.87 1xmd n GLY 209 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.85 4.54 0.47 0.00 2.96 -1.26 0.49 118.68 122.03 1xmd s LEU 211 Ca 0.38 1.89 -0.23 0.00 -0.22 0.00 0.00 54.13 55.95 1xmd s LEU 211 Cb -0.01 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 1xmd s LEU 211 CO 0.22 -0.03 1.23 0.27 -1.32 0.00 0.00 176.35 176.72 1xmd s ILE 212 N -0.36 2.81 0.71 6.68 -4.36 -0.40 -4.87 121.20 121.41 1xmd s ILE 212 Ca 0.46 0.62 -0.08 0.00 -0.26 0.00 0.00 60.65 61.39 1xmd s ILE 212 Cb -0.25 -3.32 0.05 0.00 1.25 0.00 0.00 42.46 40.19 1xmd s ILE 212 CO 0.31 0.00 1.04 0.42 0.24 0.00 0.00 174.94 176.96 1xmd s THR 213 N -1.45 2.48 0.21 8.37 -4.23 -1.26 -4.83 115.64 114.92 1xmd s THR 213 Ca 0.65 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 1xmd s THR 213 Cb -0.32 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1xmd s THR 213 CO 0.39 -0.11 1.70 -0.65 -0.54 0.00 0.00 174.62 175.42 1xmd h PRO 214 N -0.65 0.23 -0.99 3.99 0.11 -1.94 0.10 132.00 132.85 1xmd h PRO 214 Ca -0.45 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1xmd h PRO 214 Cb 1.31 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1xmd h PRO 214 CO 0.62 0.15 0.62 -1.35 -0.21 0.00 0.00 178.00 177.83 1xmd h PRO 215 N 0.24 0.94 -0.14 1.05 0.11 -1.89 0.49 132.00 132.80 1xmd h PRO 215 Ca 0.30 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1xmd h PRO 215 Cb 0.45 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1xmd h PRO 215 CO -0.40 0.62 -0.55 0.93 -0.21 0.00 0.00 178.00 178.39 1xmd h GLU 216 N 0.97 0.41 -0.07 1.05 5.08 -1.50 -2.72 114.58 117.79 1xmd h GLU 216 Ca 0.49 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1xmd h GLU 216 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xmd h GLU 216 CO -0.27 0.85 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.91 1xmd h LEU 217 N 0.31 0.30 -1.42 1.33 3.38 0.53 -2.75 115.31 116.98 1xmd h LEU 217 Ca 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1xmd h LEU 217 Cb 1.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1xmd h LEU 217 CO 0.10 0.84 -0.28 0.25 0.09 0.00 0.00 178.44 179.43 1xmd h LEU 218 N 0.19 0.00 -0.01 1.67 5.85 0.11 -2.09 115.31 121.03 1xmd h LEU 218 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xmd h LEU 218 Cb 1.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xmd h LEU 218 CO 0.10 0.28 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.38 1xmd h ARG 219 N 0.00 0.02 -0.09 1.25 2.43 -1.19 -1.69 114.38 115.12 1xmd h ARG 219 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1xmd h ARG 219 Cb 0.58 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1xmd h ARG 219 CO 0.04 0.45 -0.13 1.96 -1.51 0.00 0.00 179.97 180.78 1xmd h GLN 220 N -0.40 -0.16 -0.37 0.20 1.08 -1.39 -0.15 115.11 113.91 1xmd h GLN 220 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1xmd h GLN 220 Cb 0.44 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1xmd h GLN 220 CO 0.00 -0.11 0.20 -0.07 -0.95 0.00 0.00 178.83 177.91 1xmd h LEU 221 N -0.17 0.47 -0.76 1.46 3.38 -1.42 -1.96 115.31 116.30 1xmd h LEU 221 Ca 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xmd h LEU 221 Cb 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1xmd h LEU 221 CO -0.19 0.42 0.45 0.74 0.09 0.00 0.00 178.44 179.96 1xmd h THR 222 N 0.47 1.22 0.41 0.22 2.02 -1.12 0.60 112.91 116.73 1xmd h THR 222 Ca 0.13 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1xmd h THR 222 Cb 0.06 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1xmd h THR 222 CO -0.02 0.23 -0.51 0.22 0.37 0.00 0.00 175.52 175.81 1xmd h TYR 223 N 1.05 -1.43 -0.48 3.16 5.03 -0.75 -0.87 116.97 122.68 1xmd h TYR 223 Ca 0.27 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.66 1xmd h TYR 223 Cb -0.03 0.57 -0.05 0.00 1.55 0.00 0.00 36.73 38.77 1xmd h TYR 223 CO -0.01 -0.65 0.20 0.82 -1.32 0.00 0.00 178.16 177.20 1xmd h ILE 224 N -0.94 0.89 0.30 1.81 2.04 -1.12 -2.20 117.51 118.29 1xmd h ILE 224 Ca -0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xmd h ILE 224 Cb 0.84 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1xmd h ILE 224 CO -0.12 0.07 -0.15 -0.74 0.00 0.00 0.00 178.15 177.22 1xmd h HIS 225 N 0.39 -0.38 -0.50 1.37 2.76 -0.68 -2.70 115.15 115.42 1xmd h HIS 225 Ca 0.22 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1xmd h HIS 225 Cb 0.19 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1xmd h HIS 225 CO -0.14 -0.21 0.32 0.87 -1.30 0.00 0.00 177.93 177.48 1xmd h LYS 226 N -0.45 0.64 -0.31 5.26 1.57 -1.10 -1.17 116.57 121.01 1xmd h LYS 226 Ca -0.04 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1xmd h LYS 226 Cb 0.34 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1xmd h LYS 226 CO 0.07 0.42 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.05 1xmd h LYS 227 N 0.66 -0.04 0.00 3.15 3.64 -1.36 -2.97 116.57 119.65 1xmd h LYS 227 Ca 0.19 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1xmd h LYS 227 Cb -0.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1xmd h LYS 227 CO -0.05 -0.02 -0.28 0.00 -2.27 0.00 0.00 179.45 176.83 1xmd h SER 229 N 0.00 -0.38 -0.43 0.00 4.64 -1.04 -2.55 113.55 113.79 1xmd h SER 229 Ca -0.01 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xmd h SER 229 Cb 1.18 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1xmd h SER 229 CO 0.03 -0.15 0.00 -0.46 -0.87 0.00 0.00 176.83 175.38 1xmd n ASN 230 N -5.27 4.53 -4.34 4.97 0.23 -1.25 -4.91 115.26 109.21 1xmd n ASN 230 Ca -0.02 -2.69 -0.24 0.00 -0.53 0.00 0.00 54.58 51.10 1xmd n ASN 230 Cb 0.19 -0.64 -0.12 0.00 -2.08 0.00 0.00 39.78 37.14 1xmd n ASN 230 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xmd s GLU 231 N -2.30 1.30 0.62 -3.83 2.02 -0.96 -5.12 118.70 110.42 1xmd s GLU 231 Ca 0.41 -1.36 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 1xmd s GLU 231 Cb 0.31 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.01 1xmd s GLU 231 CO 0.12 0.33 1.28 -1.25 0.02 0.00 0.00 175.26 175.76 1xmd s PRO 232 N -2.46 2.71 0.52 0.39 0.04 -1.26 -4.93 135.00 130.01 1xmd s PRO 232 Ca 0.14 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 1xmd s PRO 232 Cb -0.08 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1xmd s PRO 232 CO 0.07 -1.47 1.16 0.28 0.04 0.00 0.00 177.00 177.08 1xmd n VAL 233 N -1.73 3.33 -0.91 -0.36 0.31 -1.26 -5.00 118.33 112.70 1xmd n VAL 233 Ca 0.15 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.95 1xmd n VAL 233 Cb 0.48 -1.40 0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 1.00 -1.59 0.32 2.92 0.00 0.18 -4.92 105.19 103.10 1xmd n GLY 234 Ca 0.11 -1.60 0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 -5.74 1.61 0.13 -1.88 -3.45 132.00 122.67 1xmd h PRO 235 Ca -0.04 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.73 1xmd h PRO 235 Cb 0.12 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.40 1xmd h PRO 235 CO 0.03 0.00 -0.75 0.43 -0.23 0.00 0.00 178.00 177.48 1xmd n SER 236 N -3.02 -3.15 0.11 1.44 7.64 -0.43 -4.89 113.62 111.33 1xmd n SER 236 Ca -0.02 -0.61 0.09 0.00 1.01 0.00 0.00 58.87 59.33 1xmd n SER 236 Cb 0.10 -5.02 0.56 0.00 -1.01 0.00 0.00 64.21 58.85 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 -2.11 0.99 -0.47 0.44 1.08 -1.86 -2.33 117.51 113.25 1xmd h ILE 237 Ca -0.59 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 1xmd h ILE 237 Cb 1.35 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1xmd h ILE 237 CO 0.52 0.04 0.32 0.00 -0.69 0.00 0.00 178.15 178.34 1xmd h ALA 238 N 1.85 1.91 -0.06 1.87 0.00 -1.85 -2.29 119.26 120.69 1xmd h ALA 238 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xmd h ALA 238 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xmd h ALA 238 CO -0.02 0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.40 1xmd h ALA 239 N 1.74 1.37 0.00 0.00 0.00 -1.30 -0.99 119.26 120.09 1xmd h ALA 239 Ca 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1xmd h ALA 239 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xmd h ALA 239 CO -0.05 -0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 178.73 1xmd h LEU 240 N 0.00 0.00 -0.78 0.00 3.38 -1.60 -2.60 115.31 113.71 1xmd h LEU 240 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xmd h LEU 240 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xmd h LEU 240 CO -0.00 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.10 1xmd n THR 241 N -3.80 1.12 1.19 0.22 -2.24 -0.37 -1.69 114.28 108.70 1xmd n THR 241 Ca -0.02 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 1xmd n THR 241 Cb 0.32 -1.42 0.37 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.03 2.06 -4.43 3.42 3.41 -0.98 -4.59 113.62 110.48 1xmd n SER 242 Ca 0.01 -1.71 -0.28 0.00 -0.26 0.00 0.00 58.87 56.62 1xmd n SER 242 Cb 0.11 -0.06 0.15 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.88 1.19 0.33 4.33 0.41 -0.68 -4.75 118.70 117.64 1xmd s GLU 243 Ca 0.35 -0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.24 1xmd s GLU 243 Cb 0.20 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.48 1xmd s GLU 243 CO 0.31 -2.01 1.53 -2.00 -0.49 0.00 0.00 175.26 172.60 1xmd s GLU 244 N -5.67 4.13 0.29 1.61 -6.30 -1.26 -4.32 118.70 107.18 1xmd s GLU 244 Ca 0.69 2.56 0.05 0.00 -2.50 0.00 0.00 54.97 55.77 1xmd s GLU 244 Cb -0.06 -3.00 0.74 0.00 0.00 0.00 0.00 34.13 31.80 1xmd s GLU 244 CO 0.50 -0.57 1.72 0.00 0.02 0.00 0.00 175.26 176.93 1xmd h ARG 245 N 4.02 0.50 -0.18 4.30 2.47 -1.21 -1.12 114.38 123.15 1xmd h ARG 245 Ca -0.49 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.05 1xmd h ARG 245 Cb 1.23 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1xmd h ARG 245 CO 0.72 0.33 -0.48 1.15 0.56 0.00 0.00 179.97 182.25 1xmd h THR 246 N 0.51 1.32 -0.93 2.04 2.02 -1.77 -1.86 112.91 114.24 1xmd h THR 246 Ca 0.57 -1.72 0.04 0.00 0.77 0.00 0.00 66.41 66.07 1xmd h THR 246 Cb 1.02 1.92 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 1xmd h THR 246 CO -0.47 0.53 0.61 0.03 0.37 0.00 0.00 175.52 176.59 1xmd h ARG 247 N 0.33 1.12 -0.32 6.66 3.08 -1.72 -1.48 114.38 122.05 1xmd h ARG 247 Ca -0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1xmd h ARG 247 Cb 1.10 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1xmd h ARG 247 CO 0.10 0.74 0.03 2.35 -1.07 0.00 0.00 179.97 182.13 1xmd h TRP 248 N 1.16 0.59 -0.53 3.04 -0.00 -1.19 0.70 115.95 119.70 1xmd h TRP 248 Ca 0.38 -0.09 0.06 0.00 -0.00 0.00 0.00 58.89 59.23 1xmd h TRP 248 Cb 0.04 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 28.99 1xmd h TRP 248 CO -0.01 0.64 0.25 0.00 -0.00 0.00 0.00 178.44 179.33 1xmd h ALA 249 N 0.87 0.68 -0.29 2.65 0.00 -0.79 0.28 119.26 122.67 1xmd h ALA 249 Ca 0.09 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1xmd h ALA 249 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xmd h ALA 249 CO 0.01 -0.11 -0.26 0.87 0.00 0.00 0.00 179.25 179.76 1xmd h LYS 250 N 0.49 0.69 -0.34 0.00 1.57 -1.15 -1.66 116.57 116.17 1xmd h LYS 250 Ca 0.24 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1xmd h LYS 250 Cb 0.19 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1xmd h LYS 250 CO -0.19 0.97 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 1xmd h ALA 251 N 0.71 1.54 -0.22 3.86 0.00 -0.45 -1.11 119.26 123.59 1xmd h ALA 251 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1xmd h ALA 251 Cb 0.83 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xmd h ALA 251 CO 0.07 0.35 -0.15 -0.09 0.00 0.00 0.00 179.25 179.42 1xmd h ARG 252 N 0.48 0.50 -0.73 0.00 2.43 -0.24 -1.17 114.38 115.64 1xmd h ARG 252 Ca 0.12 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1xmd h ARG 252 Cb 0.16 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1xmd h ARG 252 CO -0.01 0.80 0.35 0.93 -1.51 0.00 0.00 179.97 180.53 1xmd h GLU 253 N 0.20 1.06 -0.28 0.20 5.08 -0.91 -1.65 114.58 118.28 1xmd h GLU 253 Ca 0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1xmd h GLU 253 Cb 0.67 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xmd h GLU 253 CO 0.04 0.83 0.12 -0.92 -1.00 0.00 0.00 179.01 178.09 1xmd h TYR 254 N 1.03 0.41 -0.70 4.33 5.03 -1.14 -1.24 116.97 124.69 1xmd h TYR 254 Ca 0.25 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.61 1xmd h TYR 254 Cb 0.13 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 1xmd h TYR 254 CO 0.01 0.39 0.46 1.25 -1.32 0.00 0.00 178.16 178.95 1xmd h LEU 255 N 0.31 0.62 -0.19 2.82 5.85 -0.91 -2.30 115.31 121.51 1xmd h LEU 255 Ca 0.09 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1xmd h LEU 255 Cb 0.15 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xmd h LEU 255 CO -0.01 0.39 -0.64 0.40 -0.34 0.00 0.00 178.44 178.24 1xmd h ILE 256 N 0.70 1.29 -0.21 4.05 2.04 -0.83 -3.21 117.51 121.34 1xmd h ILE 256 Ca 0.31 -1.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1xmd h ILE 256 Cb 0.30 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1xmd h ILE 256 CO -0.10 0.59 -0.00 0.77 0.00 0.00 0.00 178.15 179.40 1xmd h SER 257 N 0.49 0.29 0.15 1.72 4.64 -0.69 -1.83 113.55 118.31 1xmd h SER 257 Ca -0.03 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1xmd h SER 257 Cb 1.27 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1xmd h SER 257 CO 0.14 0.35 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.29 1xmd h LEU 258 N 0.31 0.00 -6.43 5.97 3.38 -1.46 -3.41 115.31 113.66 1xmd h LEU 258 Ca 0.07 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1xmd h LEU 258 Cb 0.22 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.75 1xmd h LEU 258 CO 0.01 0.08 -0.02 -0.62 0.09 0.00 0.00 178.44 177.98 1xmd s ASP 259 N -6.52 -0.93 0.65 -0.43 -1.08 -0.69 -5.01 116.67 102.66 1xmd s ASP 259 Ca -0.04 0.96 0.31 0.00 -0.52 0.00 0.00 52.55 53.26 1xmd s ASP 259 Cb 0.15 1.93 1.68 0.00 -1.46 0.00 0.00 42.92 45.22 1xmd s ASP 259 CO 0.62 -0.18 1.96 -0.65 0.52 0.00 0.00 175.17 177.44 1xmd h PRO 260 N 7.85 0.00 0.00 4.34 0.11 -1.80 0.25 132.00 142.75 1xmd h PRO 260 Ca -0.18 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.80 1xmd h PRO 260 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1xmd h PRO 260 CO 0.10 0.00 -0.63 1.49 -0.21 0.00 0.00 178.00 178.75 1xmd h GLU 261 N 0.00 0.00 -0.02 1.05 4.81 -1.95 -3.14 114.58 115.33 1xmd h GLU 261 Ca 0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1xmd h GLU 261 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1xmd h GLU 261 CO -0.00 0.63 0.08 -0.91 -0.73 0.00 0.00 179.01 178.08 1xmd h ASN 262 N 0.00 0.00 -0.04 1.04 2.35 -0.79 -0.44 115.58 117.70 1xmd h ASN 262 Ca -0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1xmd h ASN 262 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1xmd h ASN 262 CO 0.08 0.00 -0.27 0.25 -1.65 0.00 0.00 177.43 175.85 1xmd h LEU 263 N 0.00 0.30 -0.91 1.61 5.85 -1.67 -2.40 115.31 118.09 1xmd h LEU 263 Ca 0.01 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.14 1xmd h LEU 263 Cb 0.17 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1xmd h LEU 263 CO -0.00 0.94 0.54 0.74 -0.34 0.00 0.00 178.44 180.32 1xmd h THR 264 N -0.33 0.92 -0.61 1.05 2.02 -1.23 0.32 112.91 115.05 1xmd h THR 264 Ca -0.02 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1xmd h THR 264 Cb 0.95 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1xmd h THR 264 CO 0.05 0.16 0.17 -0.07 0.37 0.00 0.00 175.52 176.20 1xmd h LEU 265 N 0.89 0.92 -0.31 2.58 4.07 -1.41 -1.12 115.31 120.93 1xmd h LEU 265 Ca 0.44 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 1xmd h LEU 265 Cb 0.41 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1xmd h LEU 265 CO -0.25 0.90 0.13 -0.07 -1.08 0.00 0.00 178.44 178.06 1xmd h LEU 266 N 0.89 0.42 -1.96 1.67 3.38 -0.48 -2.45 115.31 116.79 1xmd h LEU 266 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xmd h LEU 266 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xmd h LEU 266 CO -0.00 0.47 -0.10 -0.33 0.09 0.00 0.00 178.44 178.57 1xmd h GLU 267 N 0.35 0.00 -0.20 1.13 5.08 -0.26 -0.04 114.58 120.65 1xmd h GLU 267 Ca 0.10 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1xmd h GLU 267 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xmd h GLU 267 CO -0.01 0.10 -0.66 0.87 -1.00 0.00 0.00 179.01 178.31 1xmd h LYS 268 N 0.00 0.79 -0.47 2.33 1.57 -0.75 -1.50 116.57 118.54 1xmd h LYS 268 Ca -0.00 -0.59 -0.13 0.00 -1.87 0.00 0.00 60.65 58.06 1xmd h LYS 268 Cb 0.32 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xmd h LYS 268 CO 0.01 1.21 -0.20 0.82 -0.57 0.00 0.00 179.45 180.72 1xmd h ILE 269 N 0.53 1.27 -0.62 1.86 2.04 -1.02 -2.58 117.51 118.99 1xmd h ILE 269 Ca -0.03 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1xmd h ILE 269 Cb 1.28 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1xmd h ILE 269 CO 0.14 0.47 0.33 1.56 0.00 0.00 0.00 178.15 180.65 1xmd h GLN 270 N 0.82 0.88 -0.00 2.37 4.20 -0.94 -2.98 115.11 119.45 1xmd h GLN 270 Ca 0.11 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xmd h GLN 270 Cb 0.78 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xmd h GLN 270 CO 0.06 0.67 -0.16 0.25 -0.67 0.00 0.00 178.83 178.99 1xmd n THR 271 N -4.54 0.00 -1.84 -0.54 -2.24 -0.57 -4.14 114.28 100.41 1xmd n THR 271 Ca 0.04 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1xmd n THR 271 Cb 0.10 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1xmd n THR 271 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xmd s SER 272 N -2.69 6.19 0.35 3.42 1.04 -0.98 -4.55 113.70 116.49 1xmd s SER 272 Ca 0.22 2.96 0.16 0.00 0.48 0.00 0.00 55.95 59.77 1xmd s SER 272 Cb 0.19 -2.66 1.12 0.00 0.10 0.00 0.00 66.02 64.78 1xmd s SER 272 CO 0.53 -0.97 1.67 -0.07 0.98 0.00 0.00 173.24 175.38 1xmd h LEU 273 N 2.75 0.49 -7.12 2.42 3.38 -1.18 -3.08 115.31 112.97 1xmd h LEU 273 Ca -0.51 0.18 0.33 0.00 0.09 0.00 0.00 57.88 57.97 1xmd h LEU 273 Cb 1.25 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.98 1xmd h LEU 273 CO 0.63 -0.13 0.87 0.72 0.09 0.00 0.00 178.44 180.62 1xmd s PHE 274 N -5.62 -0.05 -0.19 1.13 -0.12 -1.26 -1.33 117.98 110.54 1xmd s PHE 274 Ca -0.10 -0.02 -0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1xmd s PHE 274 Cb 0.30 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 43.18 1xmd s PHE 274 CO 0.79 -0.19 0.05 0.08 -0.05 0.00 0.00 175.22 175.90 1xmd s VAL 275 N -2.32 4.64 -0.22 -2.49 1.01 -1.12 -2.52 120.40 117.40 1xmd s VAL 275 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1xmd s VAL 275 Cb 0.04 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1xmd s VAL 275 CO -0.04 0.45 0.02 -0.47 0.00 0.00 0.00 175.10 175.05 1xmd s TYR 276 N 0.52 3.06 -0.14 5.22 5.04 0.61 -0.85 117.35 130.80 1xmd s TYR 276 Ca 0.02 -0.46 -0.03 0.00 -2.44 0.00 0.00 57.07 54.17 1xmd s TYR 276 Cb -0.13 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 1xmd s TYR 276 CO 0.01 -0.28 -0.03 -1.12 -1.34 0.00 0.00 175.55 172.79 1xmd s SER 277 N 1.18 4.84 -0.31 4.32 0.01 0.35 -0.88 113.70 123.21 1xmd s SER 277 Ca 0.03 -0.09 -0.10 0.00 1.31 0.00 0.00 55.95 57.10 1xmd s SER 277 Cb -0.14 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1xmd s SER 277 CO 0.02 0.20 0.15 -0.63 0.41 0.00 0.00 173.24 173.39 1xmd s ILE 278 N 0.17 4.61 0.22 1.44 1.01 -0.46 -0.30 121.20 127.90 1xmd s ILE 278 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1xmd s ILE 278 Cb -0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1xmd s ILE 278 CO 0.03 0.06 0.13 -1.61 0.00 0.00 0.00 174.94 173.55 1xmd s GLU 279 N 1.61 2.79 0.00 2.79 0.41 0.33 -4.52 118.70 122.11 1xmd s GLU 279 Ca 0.05 -1.05 0.17 0.00 -0.41 0.00 0.00 54.97 53.73 1xmd s GLU 279 Cb -0.17 -2.52 -0.16 0.00 -1.78 0.00 0.00 34.13 29.50 1xmd s GLU 279 CO 0.06 0.43 0.76 -0.25 -0.49 0.00 0.00 175.26 175.77 1xmd n ASP 280 N -0.79 0.97 -4.77 -0.19 8.00 -1.26 -3.39 116.55 115.11 1xmd n ASP 280 Ca -0.08 -0.98 -0.30 0.00 0.71 0.00 0.00 54.79 54.14 1xmd n ASP 280 Cb 0.57 0.91 0.10 0.00 -0.02 0.00 0.00 41.12 42.68 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 -2.53 4.26 -0.33 -2.24 1.04 -1.26 -4.54 113.70 108.10 1xmd s SER 281 Ca 0.08 1.48 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 1xmd s SER 281 Cb 0.13 -2.21 0.12 0.00 0.10 0.00 0.00 66.02 64.17 1xmd s SER 281 CO 0.66 -2.14 0.18 -0.44 0.98 0.00 0.00 173.24 172.48 1xmd s SER 282 N -3.65 3.23 0.19 7.02 0.01 -1.26 -1.15 113.70 118.08 1xmd s SER 282 Ca 0.61 -1.85 -0.30 0.00 1.31 0.00 0.00 55.95 55.72 1xmd s SER 282 Cb -0.16 -0.41 -0.08 0.00 0.21 0.00 0.00 66.02 65.58 1xmd s SER 282 CO 0.55 -0.36 1.10 -2.16 0.41 0.00 0.00 173.24 172.78 1xmd s PRO 283 N 1.45 4.60 -0.24 12.44 0.04 -1.26 -4.95 135.00 147.08 1xmd s PRO 283 Ca 0.14 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1xmd s PRO 283 Cb -0.20 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1xmd s PRO 283 CO -0.14 0.10 1.91 -1.58 0.04 0.00 0.00 177.00 177.33 1xmd s HIS 284 N -0.37 1.62 -0.19 0.56 2.46 -1.26 -4.89 115.29 113.22 1xmd s HIS 284 Ca 0.49 0.49 -0.01 0.00 0.47 0.00 0.00 55.06 56.50 1xmd s HIS 284 Cb -0.30 -4.05 0.05 0.00 -0.13 0.00 0.00 32.58 28.15 1xmd s HIS 284 CO 0.36 -3.53 -0.04 0.00 -2.47 0.00 0.00 174.74 169.06 1xmd s ALA 285 N 6.79 1.52 0.04 1.58 0.00 -1.26 -4.22 121.76 126.20 1xmd s ALA 285 Ca 0.85 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1xmd s ALA 285 Cb -0.28 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1xmd s ALA 285 CO 0.34 -0.94 -0.04 0.95 0.00 0.00 0.00 175.76 176.06 1xmd s THR 286 N 1.61 0.26 0.49 0.00 -4.23 -0.28 -4.27 115.64 109.23 1xmd s THR 286 Ca -0.01 -1.24 0.35 0.00 -1.18 0.00 0.00 61.69 59.60 1xmd s THR 286 Cb -0.16 -0.75 0.55 0.00 1.34 0.00 0.00 72.50 73.48 1xmd s THR 286 CO -0.07 -0.63 1.70 -0.65 -0.54 0.00 0.00 174.62 174.43 1xmd h PRO 287 N 4.12 0.09 0.00 3.99 0.11 -1.96 -2.81 132.00 135.54 1xmd h PRO 287 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xmd h PRO 287 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xmd h PRO 287 CO 0.49 0.06 -0.00 0.93 -0.21 0.00 0.00 178.00 179.27 1xmd h GLU 288 N 0.09 0.00 -5.12 1.05 3.07 -1.98 -3.47 114.58 108.22 1xmd h GLU 288 Ca 0.72 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.93 1xmd h GLU 288 Cb 2.54 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 30.22 1xmd h GLU 288 CO -0.16 0.00 -0.66 -2.00 -1.40 0.00 0.00 179.01 174.78 1xmd s GLU 289 N -1.13 3.61 0.00 2.33 2.56 -1.06 -4.66 118.70 120.36 1xmd s GLU 289 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.97 54.45 1xmd s GLU 289 Cb 0.00 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1xmd s GLU 289 CO 0.00 0.01 0.50 2.48 -0.56 0.00 0.00 175.26 177.69 1xmd n TYR 290 N 4.25 0.00 0.24 5.30 0.18 -1.26 -1.13 117.16 124.75 1xmd n TYR 290 Ca -0.17 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.75 1xmd n TYR 290 Cb 0.52 0.17 0.81 0.00 -0.38 0.00 0.00 39.34 40.46 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 0.00 0.00 0.27 9.48 4.64 -1.81 0.00 113.55 126.13 1xmd h SER 291 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1xmd h SER 291 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1xmd h SER 291 CO 0.00 0.00 -0.04 -0.61 -0.87 0.00 0.00 176.83 175.31 1xmd h GLN 292 N 0.00 0.00 -0.19 4.77 4.15 -1.91 -1.70 115.11 120.23 1xmd h GLN 292 Ca 0.04 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.26 1xmd h GLN 292 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1xmd h GLN 292 CO -0.00 0.04 -0.67 0.28 -1.93 0.00 0.00 178.83 176.56 1xmd h VAL 293 N 0.00 1.30 -0.54 2.39 2.07 -1.21 -2.30 116.25 117.96 1xmd h VAL 293 Ca -0.00 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1xmd h VAL 293 Cb 0.19 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1xmd h VAL 293 CO 0.01 0.60 0.13 -0.26 0.02 0.00 0.00 177.57 178.07 1xmd h PHE 294 N 0.52 0.91 -0.57 1.57 0.04 -1.42 -1.19 116.94 116.80 1xmd h PHE 294 Ca -0.02 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1xmd h PHE 294 Cb 1.27 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 1xmd h PHE 294 CO 0.07 0.79 0.28 0.93 -0.60 0.00 0.00 178.31 179.79 1xmd h GLU 295 N 0.77 0.82 0.00 1.51 5.08 -1.40 0.32 114.58 121.68 1xmd h GLU 295 Ca 0.17 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1xmd h GLU 295 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xmd h GLU 295 CO 0.00 0.66 -0.34 0.52 -1.00 0.00 0.00 179.01 178.86 1xmd h MET 296 N 0.77 0.00 0.01 2.33 2.86 -1.32 0.19 114.93 119.76 1xmd h MET 296 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1xmd h MET 296 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1xmd h MET 296 CO -0.03 0.34 -0.00 1.25 1.06 0.00 0.00 176.91 179.53 1xmd h LEU 297 N 0.00 -0.01 -0.65 1.22 5.85 -0.77 -1.70 115.31 119.25 1xmd h LEU 297 Ca -0.00 -0.67 -0.14 0.00 0.84 0.00 0.00 57.88 57.90 1xmd h LEU 297 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1xmd h LEU 297 CO 0.04 0.68 -0.55 -0.07 -0.34 0.00 0.00 178.44 178.20 1xmd h LEU 298 N -0.70 0.38 0.00 2.25 3.38 -0.94 -3.42 115.31 116.27 1xmd h LEU 298 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xmd h LEU 298 Cb 0.68 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xmd h LEU 298 CO 0.00 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1xmd n GLY 299 N 0.19 0.34 7.00 0.83 0.00 0.64 -4.81 105.19 109.39 1xmd n GLY 299 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 4.19 -0.53 3.22 -0.02 0.00 -0.64 -4.60 105.19 106.82 1xmd n GLY 300 Ca 0.00 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 5.25 0.63 1.61 -1.08 -1.26 -4.91 116.67 112.91 1xmd s ASP 301 Ca 0.00 -1.37 0.27 0.00 -0.52 0.00 0.00 52.55 50.93 1xmd s ASP 301 Cb 0.00 -1.84 1.43 0.00 -1.46 0.00 0.00 42.92 41.05 1xmd s ASP 301 CO 0.00 -0.38 1.82 -0.65 0.52 0.00 0.00 175.17 176.49 1xmd h PRO 302 N 8.16 0.00 -0.28 4.34 0.11 -1.93 -2.56 132.00 139.85 1xmd h PRO 302 Ca -0.21 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.98 1xmd h PRO 302 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xmd h PRO 302 CO 0.62 0.00 0.47 0.66 -0.21 0.00 0.00 178.00 179.54 1xmd h SER 303 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -1.67 113.55 112.57 1xmd h SER 303 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1xmd h SER 303 Cb 1.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1xmd h SER 303 CO -0.00 0.00 -0.29 1.33 -0.87 0.00 0.00 176.83 177.00 1xmd n VAL 304 N -3.34 1.31 -5.17 0.95 0.24 -0.96 -3.93 118.33 107.42 1xmd n VAL 304 Ca 0.04 -1.75 -0.32 0.00 -2.04 0.00 0.00 64.34 60.28 1xmd n VAL 304 Cb 0.60 0.05 -0.15 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.97 2.33 -0.70 7.34 1.81 -0.64 -4.61 118.95 122.51 1xmd s ARG 305 Ca 0.25 -0.86 0.01 0.00 -1.72 0.00 0.00 55.73 53.42 1xmd s ARG 305 Cb 0.23 -2.17 0.17 0.00 -0.45 0.00 0.00 34.95 32.74 1xmd s ARG 305 CO -0.01 0.54 0.51 -0.46 -0.68 0.00 0.00 175.30 175.20 1xmd s TRP 306 N -0.54 3.54 0.61 -0.53 -0.11 -1.26 -4.37 118.94 116.28 1xmd s TRP 306 Ca 0.07 -3.08 0.28 0.00 1.22 0.00 0.00 56.10 54.59 1xmd s TRP 306 Cb -0.11 -2.99 1.40 0.00 -1.50 0.00 0.00 33.47 30.27 1xmd s TRP 306 CO 0.00 -0.70 1.81 0.78 -4.62 0.00 0.00 176.95 174.22 1xmd h GLY 307 N 6.15 0.00 2.00 5.86 0.00 -1.85 -0.09 103.07 115.15 1xmd h GLY 307 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1xmd h GLY 307 CO 0.75 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.51 1xmd n ASP 308 N -3.50 0.30 -4.73 0.19 8.00 -1.26 -4.39 116.55 111.16 1xmd n ASP 308 Ca 0.08 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.70 1xmd n ASP 308 Cb 0.73 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1xmd n ASP 308 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xmd s LYS 309 N -3.04 4.51 0.44 -1.24 2.47 -0.05 -0.22 119.74 122.61 1xmd s LYS 309 Ca 0.12 1.82 0.13 0.00 -1.56 0.00 0.00 55.97 56.49 1xmd s LYS 309 Cb 0.16 -3.26 0.96 0.00 -1.46 0.00 0.00 37.83 34.23 1xmd s LYS 309 CO 0.54 -0.07 1.98 0.66 0.16 0.00 0.00 175.35 178.63 1xmd h SER 310 N 5.39 0.05 -2.94 1.43 4.64 -1.80 -2.77 113.55 117.55 1xmd h SER 310 Ca -0.44 -0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 60.41 1xmd h SER 310 Cb 1.21 -0.01 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 1xmd h SER 310 CO 0.75 0.22 -0.75 -0.47 -0.87 0.00 0.00 176.83 175.71 1xmd s TYR 311 N -4.68 0.18 -0.39 4.77 5.04 -1.26 -3.18 117.35 117.82 1xmd s TYR 311 Ca -0.04 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.20 1xmd s TYR 311 Cb 0.16 -0.71 0.11 0.00 0.35 0.00 0.00 41.96 41.86 1xmd s TYR 311 CO 0.70 -0.59 0.13 1.21 -1.34 0.00 0.00 175.55 175.66 1xmd s ASN 312 N 2.15 4.94 -0.04 4.32 3.04 -0.70 -2.78 114.94 125.87 1xmd s ASN 312 Ca 0.04 -2.19 -0.30 0.00 0.04 0.00 0.00 52.86 50.45 1xmd s ASN 312 Cb -0.16 -1.71 -0.04 0.00 -1.54 0.00 0.00 41.25 37.80 1xmd s ASN 312 CO -0.16 -0.43 1.25 -0.22 -3.04 0.00 0.00 177.10 174.50 1xmd s LEU 313 N 0.89 4.29 -0.16 3.21 0.20 -0.03 -1.89 118.68 125.18 1xmd s LEU 313 Ca 0.11 1.89 -0.04 0.00 0.69 0.00 0.00 54.13 56.78 1xmd s LEU 313 Cb -0.21 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 41.97 1xmd s LEU 313 CO -0.06 -0.62 -0.04 -0.63 -0.29 0.00 0.00 176.35 174.71 1xmd s ILE 314 N 2.26 3.85 -0.18 6.68 -1.09 0.30 -0.49 121.20 132.52 1xmd s ILE 314 Ca 0.58 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1xmd s ILE 314 Cb -0.26 -2.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.92 1xmd s ILE 314 CO 0.23 0.49 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.78 1xmd s SER 315 N 0.44 4.00 0.41 3.58 0.15 0.59 -0.19 113.70 122.67 1xmd s SER 315 Ca -0.04 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1xmd s SER 315 Cb -0.14 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1xmd s SER 315 CO 0.03 0.06 0.57 -0.36 1.20 0.00 0.00 173.24 174.74 1xmd s PHE 316 N 1.01 2.99 0.26 3.44 0.40 0.06 -0.52 117.98 125.62 1xmd s PHE 316 Ca -0.01 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1xmd s PHE 316 Cb -0.15 -2.27 0.34 0.00 0.51 0.00 0.00 43.02 41.46 1xmd s PHE 316 CO -0.01 -0.31 1.78 0.00 0.70 0.00 0.00 175.22 177.37 1xmd h ALA 317 N 0.63 1.13 -0.14 5.36 0.00 -1.15 -2.99 119.26 122.10 1xmd h ALA 317 Ca -0.43 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1xmd h ALA 317 Cb 1.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1xmd h ALA 317 CO 0.51 0.57 0.06 0.27 0.00 0.00 0.00 179.25 180.65 1xmd n ASN 318 N -4.24 2.49 -0.35 0.00 6.94 -1.26 -3.93 115.26 114.92 1xmd n ASN 318 Ca 0.03 -2.22 -0.05 0.00 -0.02 0.00 0.00 54.58 52.33 1xmd n ASN 318 Cb 0.27 -0.55 -0.02 0.00 -2.36 0.00 0.00 39.78 37.13 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 0.16 0.69 3.91 4.83 0.00 -1.13 0.16 105.19 113.82 1xmd n GLY 319 Ca 0.08 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 5.10 0.17 -0.61 -1.09 -1.26 -4.89 121.20 116.63 1xmd s ILE 320 Ca 0.00 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 1xmd s ILE 320 Cb 0.00 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1xmd s ILE 320 CO 0.00 -0.27 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.00 1xmd s PHE 321 N -2.00 1.38 0.28 3.97 0.08 -1.26 -0.76 117.98 119.66 1xmd s PHE 321 Ca 0.42 -0.78 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 1xmd s PHE 321 Cb -0.11 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1xmd s PHE 321 CO 0.30 0.08 0.79 0.20 -0.10 0.00 0.00 175.22 176.49 1xmd s GLY 322 N -3.21 0.01 0.03 4.36 0.00 0.73 -1.51 107.32 107.72 1xmd s GLY 322 Ca 0.20 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.60 1xmd s GLY 322 CO 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 173.10 173.04 1xmd s ASP 326 N -1.18 6.93 0.18 0.00 2.15 -1.04 -1.75 116.67 121.96 1xmd s ASP 326 Ca 0.02 2.06 0.26 0.00 0.43 0.00 0.00 52.55 55.32 1xmd s ASP 326 Cb -0.08 -2.57 0.88 0.00 -0.30 0.00 0.00 42.92 40.86 1xmd s ASP 326 CO 0.01 -0.64 1.79 1.57 -0.17 0.00 0.00 175.17 177.73 1xmd n HIS 327 N 4.92 0.78 0.40 -5.34 -0.00 -1.26 -4.29 115.22 110.42 1xmd n HIS 327 Ca 0.12 0.24 -0.19 0.00 -0.00 0.00 0.00 57.72 57.88 1xmd n HIS 327 Cb 0.44 -0.88 -0.09 0.00 -0.00 0.00 0.00 29.99 29.46 1xmd n HIS 327 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xmd h ALA 328 N 2.56 -1.13 0.00 1.57 0.00 -1.92 -3.27 119.26 117.07 1xmd h ALA 328 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xmd h ALA 328 Cb 0.66 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1xmd h ALA 328 CO 0.00 -1.15 -0.20 -1.00 0.00 0.00 0.00 179.25 176.90 1xmd h PRO 329 N -1.09 0.00 -2.66 0.00 0.13 -1.98 -3.48 132.00 122.92 1xmd h PRO 329 Ca -0.09 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.16 1xmd h PRO 329 Cb 0.88 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.95 1xmd h PRO 329 CO 0.10 0.20 0.37 1.52 -0.23 0.00 0.00 178.00 179.95 1xmd s TYR 330 N -3.88 -0.13 0.47 1.56 1.13 -1.23 -4.92 117.35 110.34 1xmd s TYR 330 Ca -0.01 -0.26 0.06 0.00 -1.41 0.00 0.00 57.07 55.44 1xmd s TYR 330 Cb 0.12 0.68 0.02 0.00 -1.10 0.00 0.00 41.96 41.68 1xmd s TYR 330 CO 0.62 -1.05 0.64 -0.51 -2.51 0.00 0.00 175.55 172.75 1xmd s ASP 331 N -2.96 5.52 0.56 -0.18 1.01 -1.26 -4.59 116.67 114.77 1xmd s ASP 331 Ca 0.12 -0.28 0.26 0.00 0.71 0.00 0.00 52.55 53.36 1xmd s ASP 331 Cb -0.04 -0.73 1.53 0.00 1.01 0.00 0.00 42.92 44.69 1xmd s ASP 331 CO 0.05 -0.90 2.08 0.00 0.21 0.00 0.00 175.17 176.61 1xmd h ALA 332 N 0.44 2.02 -0.62 5.23 0.00 -1.97 -3.24 119.26 121.11 1xmd h ALA 332 Ca -0.41 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xmd h ALA 332 Cb 1.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1xmd h ALA 332 CO 0.48 -0.35 0.41 0.52 0.00 0.00 0.00 179.25 180.31 1xmd h MET 333 N 0.00 0.48 -0.20 0.00 2.86 -1.95 -0.98 114.93 115.14 1xmd h MET 333 Ca 0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1xmd h MET 333 Cb 0.56 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1xmd h MET 333 CO -0.00 0.32 0.09 0.28 1.06 0.00 0.00 176.91 178.66 1xmd h VAL 334 N 0.49 1.14 -0.64 -2.22 2.07 -1.93 -1.34 116.25 113.81 1xmd h VAL 334 Ca 0.28 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1xmd h VAL 334 Cb 0.45 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1xmd h VAL 334 CO -0.08 0.13 0.17 0.58 0.02 0.00 0.00 177.57 178.39 1xmd h VAL 335 N 0.18 1.24 -0.79 2.57 2.07 -1.61 -2.29 116.25 117.63 1xmd h VAL 335 Ca 0.07 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1xmd h VAL 335 Cb 0.12 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1xmd h VAL 335 CO -0.01 0.34 0.51 0.58 0.02 0.00 0.00 177.57 179.01 1xmd h VAL 336 N 0.95 1.16 -0.36 2.57 2.07 -0.97 -0.25 116.25 121.42 1xmd h VAL 336 Ca 0.21 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1xmd h VAL 336 Cb 0.31 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1xmd h VAL 336 CO -0.00 0.19 0.19 0.78 0.02 0.00 0.00 177.57 178.74 1xmd h ASN 337 N 1.03 0.46 0.17 0.57 2.35 -0.71 0.01 115.58 119.45 1xmd h ASN 337 Ca 0.30 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 1xmd h ASN 337 Cb -0.06 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1xmd h ASN 337 CO -0.09 0.43 -0.60 -0.29 -1.65 0.00 0.00 177.43 175.24 1xmd h ILE 338 N 0.45 1.35 -0.44 2.81 2.10 -1.22 -0.44 117.51 122.12 1xmd h ILE 338 Ca 0.13 -1.90 -0.01 0.00 1.08 0.00 0.00 64.86 64.15 1xmd h ILE 338 Cb 0.08 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 1xmd h ILE 338 CO -0.02 0.58 0.24 0.00 -1.08 0.00 0.00 178.15 177.87 1xmd h ALA 339 N 1.04 0.56 -0.57 0.18 0.00 -0.84 -0.74 119.26 118.89 1xmd h ALA 339 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xmd h ALA 339 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1xmd h ALA 339 CO 0.10 0.08 0.08 1.25 0.00 0.00 0.00 179.25 180.76 1xmd h HIS 340 N 0.57 1.01 -0.39 0.00 -0.00 -0.87 -1.15 115.15 114.33 1xmd h HIS 340 Ca 0.15 -0.15 0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1xmd h HIS 340 Cb 0.05 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.14 1xmd h HIS 340 CO -0.02 0.89 0.10 -0.92 -0.00 0.00 0.00 177.93 177.98 1xmd h TYR 341 N 0.84 0.18 -0.58 5.26 3.20 -0.60 -0.18 116.97 125.07 1xmd h TYR 341 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1xmd h TYR 341 Cb 0.44 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1xmd h TYR 341 CO 0.03 0.05 0.11 0.28 -1.64 0.00 0.00 178.16 176.99 1xmd h VAL 342 N 0.24 1.24 -0.84 1.81 2.07 -0.97 -1.75 116.25 118.06 1xmd h VAL 342 Ca 0.18 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1xmd h VAL 342 Cb 0.20 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xmd h VAL 342 CO -0.22 0.34 0.45 -0.78 0.02 0.00 0.00 177.57 177.38 1xmd h ASP 343 N 0.88 1.06 -0.41 0.57 3.58 -0.28 0.27 116.42 122.10 1xmd h ASP 343 Ca 0.18 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1xmd h ASP 343 Cb 0.37 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1xmd h ASP 343 CO 0.01 0.86 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.76 1xmd h GLU 344 N 1.18 0.82 -0.57 0.28 5.08 -0.67 -1.99 114.58 118.71 1xmd h GLU 344 Ca 0.30 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xmd h GLU 344 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1xmd h GLU 344 CO -0.04 0.96 0.34 0.00 -1.00 0.00 0.00 179.01 179.26 1xmd h ARG 345 N 0.63 0.78 -0.69 2.33 2.47 -0.75 -0.77 114.38 118.38 1xmd h ARG 345 Ca 0.10 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1xmd h ARG 345 Cb 0.68 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 1xmd h ARG 345 CO 0.05 0.58 0.29 0.28 0.56 0.00 0.00 179.97 181.73 1xmd h VAL 346 N 0.77 1.23 -0.40 2.04 2.07 -0.84 -2.00 116.25 119.13 1xmd h VAL 346 Ca 0.20 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 1xmd h VAL 346 Cb 0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1xmd h VAL 346 CO -0.04 0.29 -0.20 -0.07 0.02 0.00 0.00 177.57 177.57 1xmd h LEU 347 N 1.00 0.88 -0.96 2.57 3.38 -0.88 0.54 115.31 121.83 1xmd h LEU 347 Ca 0.24 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1xmd h LEU 347 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xmd h LEU 347 CO -0.02 1.09 -0.26 -0.33 0.09 0.00 0.00 178.44 179.01 1xmd h GLU 348 N 0.66 0.45 -0.30 1.13 5.08 -0.94 -2.96 114.58 117.70 1xmd h GLU 348 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xmd h GLU 348 Cb 0.76 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1xmd h GLU 348 CO 0.06 0.67 0.00 0.25 -1.00 0.00 0.00 179.01 178.99 1xmd n THR 349 N -4.12 0.38 -2.69 1.13 -2.24 -0.77 -4.93 114.28 101.04 1xmd n THR 349 Ca -0.00 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1xmd n THR 349 Cb 0.40 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.20 -3.08 -2.25 -0.78 1.02 -0.53 -1.73 120.64 114.49 1xmd n GLU 350 Ca 0.18 0.92 -0.18 0.00 -0.02 0.00 0.00 57.16 58.06 1xmd n GLU 350 Cb 0.54 -5.67 -0.02 0.00 -0.02 0.00 0.00 31.44 26.28 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 -1.21 -0.13 3.23 0.62 0.00 0.18 -4.94 105.19 102.94 1xmd n GLY 351 Ca -0.18 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.74 1.01 -0.26 1.61 0.52 -0.70 -5.01 118.95 111.37 1xmd s ARG 352 Ca 0.00 -1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 53.70 1xmd s ARG 352 Cb 0.00 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.97 1xmd s ARG 352 CO 0.00 0.03 0.08 -0.46 0.02 0.00 0.00 175.30 174.98 1xmd s TRP 353 N -3.43 3.10 -0.19 -0.53 -0.11 -1.26 -4.80 118.94 111.72 1xmd s TRP 353 Ca 0.16 -0.48 0.15 0.00 1.22 0.00 0.00 56.10 57.15 1xmd s TRP 353 Cb 0.04 -2.26 0.45 0.00 -1.50 0.00 0.00 33.47 30.20 1xmd s TRP 353 CO -0.01 -0.39 1.34 1.63 -4.62 0.00 0.00 176.95 174.90 1xmd n LYS 354 N 4.93 2.11 -0.34 5.86 5.02 -1.26 -5.01 118.16 129.47 1xmd n LYS 354 Ca -0.16 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.25 1xmd n LYS 354 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.96 2.03 3.63 0.72 0.00 -1.26 -5.05 105.19 104.31 1xmd n GLY 355 Ca 0.22 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1xmd n GLY 355 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xmd n SER 356 N -0.98 1.63 -0.84 1.61 2.88 -1.26 -4.89 113.62 111.76 1xmd n SER 356 Ca 0.00 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1xmd n SER 356 Cb 0.00 -1.38 0.14 0.00 -0.75 0.00 0.00 64.21 62.22 1xmd n SER 356 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xmd n GLU 357 N 0.24 2.10 -1.99 -1.46 1.02 -1.26 -4.80 120.64 114.49 1xmd n GLU 357 Ca 0.08 -1.69 -0.40 0.00 -0.02 0.00 0.00 57.16 55.13 1xmd n GLU 357 Cb 0.38 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1xmd n GLU 357 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xmd s LYS 358 N -2.06 4.11 -0.35 3.49 -0.14 -1.26 -4.95 119.74 118.58 1xmd s LYS 358 Ca 0.28 2.31 0.03 0.00 -1.36 0.00 0.00 55.97 57.22 1xmd s LYS 358 Cb 0.20 -2.91 0.10 0.00 -1.68 0.00 0.00 37.83 33.54 1xmd s LYS 358 CO 0.34 -0.42 0.09 0.08 -0.76 0.00 0.00 175.35 174.67 1xmd s VAL 359 N -1.18 1.85 1.21 3.17 1.01 -1.26 -4.69 120.40 120.52 1xmd s VAL 359 Ca 0.53 -2.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.20 1xmd s VAL 359 Cb -0.41 -2.37 0.28 0.00 0.00 0.00 0.00 36.38 33.88 1xmd s VAL 359 CO 0.55 -0.65 0.84 0.54 0.00 0.00 0.00 175.10 176.38 1xmd n ARG 360 N 4.29 -2.67 -2.81 2.72 1.74 -1.26 -4.88 116.66 113.79 1xmd n ARG 360 Ca 0.03 -0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 55.92 1xmd n ARG 360 Cb 0.41 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 1xmd n ARG 360 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1xmd s ASP 361 N -2.33 6.62 -0.01 0.55 2.15 -1.26 -4.99 116.67 117.40 1xmd s ASP 361 Ca 0.67 -1.94 0.01 0.00 0.43 0.00 0.00 52.55 51.72 1xmd s ASP 361 Cb -0.23 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1xmd s ASP 361 CO 0.65 -1.18 -0.00 0.27 -0.17 0.00 0.00 175.17 174.74 1xmd s ILE 362 N 3.32 4.13 0.43 4.11 -4.36 -1.26 -5.09 121.20 122.49 1xmd s ILE 362 Ca 0.38 -0.56 -0.23 0.00 -0.26 0.00 0.00 60.65 59.97 1xmd s ILE 362 Cb -0.03 -2.82 -0.11 0.00 1.25 0.00 0.00 42.46 40.75 1xmd s ILE 362 CO -0.09 0.41 0.84 -2.65 0.24 0.00 0.00 174.94 173.69 1xmd n PRO 363 N 1.51 1.02 -2.27 0.37 -0.02 -1.26 -4.96 135.00 129.39 1xmd n PRO 363 Ca -0.15 0.37 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 1xmd n PRO 363 Cb 0.53 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.20 3.59 0.24 2.45 1.43 -1.26 -4.96 118.68 120.36 1xmd s LEU 364 Ca 0.64 1.69 -0.31 0.00 -1.03 0.00 0.00 54.13 55.11 1xmd s LEU 364 Cb -0.57 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.01 1xmd s LEU 364 CO 0.56 -0.82 1.62 -2.65 0.23 0.00 0.00 176.35 175.29 1xmd n PRO 365 N -1.71 2.57 -3.35 1.29 -0.02 -1.26 -4.97 135.00 127.55 1xmd n PRO 365 Ca 0.08 0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 62.10 1xmd n PRO 365 Cb 0.53 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.29 4.25 0.11 -0.52 2.02 -0.39 -4.86 118.70 119.60 1xmd s GLU 366 Ca 0.70 0.46 -0.26 0.00 0.02 0.00 0.00 54.97 55.90 1xmd s GLU 366 Cb -0.54 -3.38 -0.07 0.00 0.10 0.00 0.00 34.13 30.24 1xmd s GLU 366 CO 0.41 0.30 0.81 -2.00 0.02 0.00 0.00 175.26 174.80 1xmd s GLU 367 N 0.16 4.57 -0.58 1.61 2.12 -1.26 -1.24 118.70 124.07 1xmd s GLU 367 Ca 0.26 1.18 -0.19 0.00 0.36 0.00 0.00 54.97 56.58 1xmd s GLU 367 Cb -0.16 -3.33 0.10 0.00 0.26 0.00 0.00 34.13 31.01 1xmd s GLU 367 CO 0.12 0.38 0.69 -0.51 -0.54 0.00 0.00 175.26 175.40 1xmd s LEU 368 N -0.49 5.38 -0.45 2.70 1.43 0.13 -4.96 118.68 122.42 1xmd s LEU 368 Ca 0.39 -1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 1xmd s LEU 368 Cb -0.22 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1xmd s LEU 368 CO 0.26 -1.09 0.53 -0.69 0.23 0.00 0.00 176.35 175.58 1xmd s VAL 369 N 2.65 4.98 0.29 -1.59 1.01 -1.26 -4.41 120.40 122.08 1xmd s VAL 369 Ca 0.11 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1xmd s VAL 369 Cb -0.24 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1xmd s VAL 369 CO 0.07 -0.56 0.83 -0.36 0.00 0.00 0.00 175.10 175.07 1xmd s PHE 370 N 2.39 3.60 -0.20 5.22 0.40 -1.26 -5.00 117.98 123.13 1xmd s PHE 370 Ca 0.15 1.54 -0.22 0.00 -0.60 0.00 0.00 56.93 57.79 1xmd s PHE 370 Cb -0.17 -2.74 -0.02 0.00 0.51 0.00 0.00 43.02 40.59 1xmd s PHE 370 CO 0.14 0.22 0.70 0.99 0.70 0.00 0.00 175.22 177.97 1xmd s THR 371 N -1.67 4.96 0.30 0.64 2.01 -1.26 -5.04 115.64 115.59 1xmd s THR 371 Ca 0.49 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.85 1xmd s THR 371 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1xmd s THR 371 CO 0.21 0.07 0.12 0.68 -0.69 0.00 0.00 174.62 175.01 1xmd s VAL 372 N 2.09 0.54 0.00 3.82 -7.23 -1.26 -4.86 120.40 113.50 1xmd s VAL 372 Ca 0.32 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1xmd s VAL 372 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1xmd s VAL 372 CO 0.11 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.00 1xmd n ASP 373 N -0.79 0.00 0.01 4.85 5.68 -1.26 -5.03 116.55 120.01 1xmd n ASP 373 Ca -0.01 -0.94 -0.01 0.00 -0.50 0.00 0.00 54.79 53.34 1xmd n ASP 373 Cb 0.66 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.92 1xmd n ASP 373 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xmd h GLU 374 N 0.00 0.49 0.59 0.11 4.81 -2.02 -2.13 114.58 116.42 1xmd h GLU 374 Ca 0.00 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1xmd h GLU 374 Cb 0.00 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xmd h GLU 374 CO 0.00 0.57 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.35 1xmd h LYS 375 N 0.46 -0.76 -0.46 1.92 3.11 -1.99 -2.04 116.57 116.80 1xmd h LYS 375 Ca 0.09 0.05 0.09 0.00 -2.81 0.00 0.00 60.65 58.08 1xmd h LYS 375 Cb 0.41 0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 31.73 1xmd h LYS 375 CO 0.02 -0.45 -0.09 0.82 -2.81 0.00 0.00 179.45 176.94 1xmd h ILE 376 N -1.02 0.56 -0.24 2.00 1.08 -1.95 0.05 117.51 117.99 1xmd h ILE 376 Ca -0.08 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1xmd h ILE 376 Cb 0.66 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1xmd h ILE 376 CO 0.13 0.00 0.16 -0.07 -0.69 0.00 0.00 178.15 177.69 1xmd h LEU 377 N 0.02 0.14 -0.48 1.44 3.38 -1.37 -0.05 115.31 118.39 1xmd h LEU 377 Ca 0.22 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1xmd h LEU 377 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xmd h LEU 377 CO -0.46 0.10 -0.71 0.78 0.09 0.00 0.00 178.44 178.24 1xmd h ASN 378 N 0.16 0.34 -0.18 -0.43 2.35 -0.26 -1.73 115.58 115.83 1xmd h ASN 378 Ca 0.10 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1xmd h ASN 378 Cb 0.21 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1xmd h ASN 378 CO -0.02 0.94 -0.05 0.44 -1.65 0.00 0.00 177.43 177.09 1xmd h ASP 379 N 0.20 0.35 -0.40 5.81 3.32 -0.08 -0.84 116.42 124.78 1xmd h ASP 379 Ca -0.02 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 56.69 1xmd h ASP 379 Cb 1.26 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1xmd h ASP 379 CO 0.11 0.65 0.17 0.58 -1.72 0.00 0.00 179.24 179.03 1xmd h VAL 380 N 0.05 0.93 -0.83 -1.35 2.07 -1.06 0.32 116.25 116.38 1xmd h VAL 380 Ca 0.04 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1xmd h VAL 380 Cb 0.50 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1xmd h VAL 380 CO 0.02 0.06 0.51 -1.28 0.02 0.00 0.00 177.57 176.90 1xmd h SER 381 N 0.35 0.98 -0.36 0.57 0.87 -1.22 -1.79 113.55 112.94 1xmd h SER 381 Ca 0.18 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 1xmd h SER 381 Cb 0.12 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1xmd h SER 381 CO -0.15 0.74 -0.34 -0.61 -0.53 0.00 0.00 176.83 175.94 1xmd h GLN 382 N 1.13 0.86 0.11 2.24 4.15 -0.07 -2.69 115.11 120.85 1xmd h GLN 382 Ca 0.30 -0.45 0.02 0.00 0.77 0.00 0.00 58.65 59.29 1xmd h GLN 382 Cb -0.07 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1xmd h GLN 382 CO -0.06 1.09 -0.21 0.00 -1.93 0.00 0.00 178.83 177.72 1xmd h ALA 383 N 0.76 -0.36 -0.29 3.38 0.00 0.12 -1.41 119.26 121.45 1xmd h ALA 383 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xmd h ALA 383 Cb 0.92 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1xmd h ALA 383 CO 0.08 -0.74 0.01 0.87 0.00 0.00 0.00 179.25 179.47 1xmd h LYS 384 N -0.40 0.10 -0.52 0.00 1.57 -1.37 -1.31 116.57 114.64 1xmd h LYS 384 Ca 0.03 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1xmd h LYS 384 Cb 0.42 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1xmd h LYS 384 CO -0.12 0.07 0.24 0.00 -0.57 0.00 0.00 179.45 179.07 1xmd h ALA 385 N 1.24 0.66 -0.23 3.86 0.00 -1.19 0.19 119.26 123.80 1xmd h ALA 385 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xmd h ALA 385 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xmd h ALA 385 CO -0.22 -0.12 -0.48 -0.56 0.00 0.00 0.00 179.25 177.87 1xmd h GLN 386 N 0.47 0.61 -0.05 0.00 -0.00 -0.96 -1.18 115.11 114.01 1xmd h GLN 386 Ca 0.24 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1xmd h GLN 386 Cb 0.18 0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 27.68 1xmd h GLN 386 CO -0.19 0.96 -0.01 1.25 -0.00 0.00 0.00 178.83 180.84 1xmd h HIS 387 N 0.49 0.11 -0.67 0.06 2.76 -0.89 -0.60 115.15 116.40 1xmd h HIS 387 Ca 0.03 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xmd h HIS 387 Cb 1.02 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 1xmd h HIS 387 CO 0.05 0.45 0.43 -0.07 -1.30 0.00 0.00 177.93 177.48 1xmd h LEU 388 N -0.27 0.79 -0.13 0.26 3.38 -0.98 0.67 115.31 119.04 1xmd h LEU 388 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xmd h LEU 388 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xmd h LEU 388 CO 0.01 0.59 0.03 0.50 0.09 0.00 0.00 178.44 179.66 1xmd h LYS 389 N 0.91 0.20 -0.41 1.13 3.64 -1.18 -0.44 116.57 120.43 1xmd h LYS 389 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1xmd h LYS 389 Cb -0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xmd h LYS 389 CO -0.05 0.35 0.23 0.00 -2.27 0.00 0.00 179.45 177.71 1xmd h ALA 390 N 0.84 0.52 -0.03 5.00 0.00 -0.89 -2.79 119.26 121.92 1xmd h ALA 390 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1xmd h ALA 390 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xmd h ALA 390 CO -0.00 0.04 -0.32 0.00 0.00 0.00 0.00 179.25 178.97 1xmd h ALA 391 N 1.08 1.41 0.00 0.00 0.00 -0.80 -2.72 119.26 118.24 1xmd h ALA 391 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xmd h ALA 391 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xmd h ALA 391 CO -0.02 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.32 1xmd h SER 392 N 0.05 0.00 -0.08 0.00 4.64 -0.78 -0.72 113.55 116.66 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 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1xmd h SER 392 CO 0.04 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.33 1xmd n ASP 393 N -2.39 2.02 -4.76 4.97 2.03 -1.02 -4.92 116.55 112.48 1xmd n ASP 393 Ca -0.01 -1.69 -0.40 0.00 0.52 0.00 0.00 54.79 53.21 1xmd n ASP 393 Cb 0.10 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.86 4.53 -0.17 -2.67 2.96 -0.28 -1.08 118.68 120.11 1xmd s LEU 394 Ca 0.35 1.61 -0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1xmd s LEU 394 Cb 0.20 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1xmd s LEU 394 CO 0.31 0.10 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.71 1xmd s GLN 395 N -0.61 3.17 -0.04 1.98 0.74 0.08 -4.87 119.66 120.11 1xmd s GLN 395 Ca 0.38 -0.76 0.07 0.00 0.05 0.00 0.00 55.36 55.10 1xmd s GLN 395 Cb -0.22 -2.66 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1xmd s GLN 395 CO 0.26 -0.08 -0.25 0.42 -0.55 0.00 0.00 175.29 175.08 1xmd s ILE 396 N 1.06 2.02 -0.12 -2.34 -1.09 -1.26 -1.70 121.20 117.76 1xmd s ILE 396 Ca -0.01 -1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 57.32 1xmd s ILE 396 Cb -0.15 -1.70 0.04 0.00 -1.58 0.00 0.00 42.46 39.08 1xmd s ILE 396 CO -0.04 0.57 0.01 0.00 -1.23 0.00 0.00 174.94 174.24 1xmd s ALA 397 N -0.35 0.88 -0.11 9.38 0.00 -0.12 -4.85 121.76 126.60 1xmd s ALA 397 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1xmd s ALA 397 Cb -0.12 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1xmd s ALA 397 CO 0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 175.76 174.96 1xmd s ALA 398 N 1.90 1.42 0.08 0.00 0.00 -1.26 -0.24 121.76 123.66 1xmd s ALA 398 Ca 0.03 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1xmd s ALA 398 Cb -0.14 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1xmd s ALA 398 CO -0.07 -0.31 0.12 -1.12 0.00 0.00 0.00 175.76 174.38 1xmd s SER 399 N 1.47 0.24 -0.10 0.00 0.01 -0.84 -4.59 113.70 109.89 1xmd s SER 399 Ca 0.01 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1xmd s SER 399 Cb -0.13 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1xmd s SER 399 CO -0.06 -0.70 -0.10 -0.89 0.41 0.00 0.00 173.24 171.90 1xmd s THR 400 N -3.89 3.40 -0.34 1.44 2.01 -1.26 -1.59 115.64 115.40 1xmd s THR 400 Ca 0.07 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1xmd s THR 400 Cb 0.06 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1xmd s THR 400 CO -0.10 0.56 0.19 0.12 -0.69 0.00 0.00 174.62 174.71 1xmd s PHE 401 N -0.27 3.21 -0.81 4.92 5.36 0.28 -4.97 117.98 125.70 1xmd s PHE 401 Ca 0.03 -0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 55.33 1xmd s PHE 401 Cb -0.13 -2.42 0.20 0.00 -0.34 0.00 0.00 43.02 40.34 1xmd s PHE 401 CO 0.03 -0.51 0.68 0.95 -1.46 0.00 0.00 175.22 174.90 1xmd s THR 402 N 1.62 4.27 -0.11 0.12 -4.23 -1.26 -1.38 115.64 114.66 1xmd s THR 402 Ca 0.04 -3.48 -0.07 0.00 -1.18 0.00 0.00 61.69 57.00 1xmd s THR 402 Cb -0.18 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.01 1xmd s THR 402 CO 0.07 -1.02 0.15 0.18 -0.54 0.00 0.00 174.62 173.46 1xmd n LEU 414 N 2.82 -4.49 -4.62 4.79 4.77 -1.26 -4.95 117.00 114.06 1xmd n LEU 414 Ca 0.17 1.36 -0.46 0.00 -0.03 0.00 0.00 56.01 57.05 1xmd n LEU 414 Cb 0.38 -2.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.08 1xmd n LEU 414 CO 0.35 -2.40 0.81 1.57 -1.33 0.00 0.00 177.39 176.40 1xmd n HIS 415 N 0.99 1.67 -0.26 -1.77 -0.00 -1.26 -4.83 115.22 109.77 1xmd n HIS 415 Ca -0.25 0.59 -0.03 0.00 -0.00 0.00 0.00 57.72 58.03 1xmd n HIS 415 Cb 0.38 -2.35 0.09 0.00 -0.00 0.00 0.00 29.99 28.11 1xmd n HIS 415 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1xmd h PRO 416 N 3.36 0.85 -0.02 1.57 0.11 -2.04 -0.78 132.00 135.06 1xmd h PRO 416 Ca -0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xmd h PRO 416 Cb 1.31 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xmd h PRO 416 CO 0.70 0.56 0.00 0.22 -0.21 0.00 0.00 178.00 179.27 1xmd h ASP 417 N 0.88 0.03 -1.00 -2.05 3.58 -2.00 -1.89 116.42 113.97 1xmd h ASP 417 Ca 0.30 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.54 1xmd h ASP 417 Cb 0.04 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.03 1xmd h ASP 417 CO -0.12 0.27 0.65 0.74 -2.88 0.00 0.00 179.24 177.90 1xmd h THR 418 N -0.22 1.15 -0.33 2.25 2.02 -1.90 -0.95 112.91 114.93 1xmd h THR 418 Ca 0.01 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.79 1xmd h THR 418 Cb 0.26 -0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1xmd h THR 418 CO 0.00 0.23 0.13 0.15 0.37 0.00 0.00 175.52 176.39 1xmd h PHE 419 N 1.24 0.23 -0.30 3.16 3.57 -0.94 -1.01 116.94 122.89 1xmd h PHE 419 Ca 0.40 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.78 1xmd h PHE 419 Cb 0.04 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xmd h PHE 419 CO -0.00 0.11 -0.39 0.82 -2.23 0.00 0.00 178.31 176.62 1xmd h ILE 420 N 0.28 1.29 -0.17 1.41 2.04 -0.75 -1.28 117.51 120.33 1xmd h ILE 420 Ca 0.15 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1xmd h ILE 420 Cb 0.10 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1xmd h ILE 420 CO -0.14 0.50 0.08 1.56 0.00 0.00 0.00 178.15 180.15 1xmd h GLN 421 N 0.58 0.25 -0.46 2.37 1.08 -0.86 -0.60 115.11 117.47 1xmd h GLN 421 Ca 0.05 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xmd h GLN 421 Cb 0.92 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1xmd h GLN 421 CO 0.08 0.30 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.12 1xmd h LEU 422 N 0.14 0.79 -1.09 1.46 3.38 -1.17 -1.59 115.31 117.22 1xmd h LEU 422 Ca 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1xmd h LEU 422 Cb 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1xmd h LEU 422 CO -0.01 0.90 0.40 0.00 0.09 0.00 0.00 178.44 179.83 1xmd h ALA 423 N 1.18 1.31 -0.52 1.53 0.00 -0.97 -0.92 119.26 120.87 1xmd h ALA 423 Ca 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1xmd h ALA 423 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xmd h ALA 423 CO 0.03 0.56 -0.15 1.25 0.00 0.00 0.00 179.25 180.95 1xmd h LEU 424 N 1.04 1.02 0.05 0.00 5.85 -0.58 0.20 115.31 122.90 1xmd h LEU 424 Ca 0.26 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xmd h LEU 424 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1xmd h LEU 424 CO -0.04 1.16 -0.09 1.56 -0.34 0.00 0.00 178.44 180.68 1xmd h GLN 425 N 0.88 -0.18 -0.76 1.25 1.08 -0.61 0.54 115.11 117.31 1xmd h GLN 425 Ca 0.13 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1xmd h GLN 425 Cb 0.72 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.15 1xmd h GLN 425 CO 0.06 -0.12 0.50 1.25 -0.95 0.00 0.00 178.83 179.57 1xmd h LEU 426 N -0.18 0.88 -0.33 1.46 5.85 -1.06 -0.01 115.31 121.91 1xmd h LEU 426 Ca 0.02 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xmd h LEU 426 Cb 0.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1xmd h LEU 426 CO -0.05 0.64 0.16 0.00 -0.34 0.00 0.00 178.44 178.84 1xmd h ALA 427 N 1.28 0.43 -0.50 1.25 0.00 -0.53 -0.20 119.26 120.99 1xmd h ALA 427 Ca 0.28 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xmd h ALA 427 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xmd h ALA 427 CO -0.06 -0.00 0.05 -0.92 0.00 0.00 0.00 179.25 178.32 1xmd h TYR 428 N 0.40 0.90 -0.41 0.00 5.03 -0.68 -0.62 116.97 121.59 1xmd h TYR 428 Ca 0.11 -0.14 0.04 0.00 2.58 0.00 0.00 58.73 61.32 1xmd h TYR 428 Cb 0.13 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.13 1xmd h TYR 428 CO -0.02 0.83 0.19 -0.92 -1.32 0.00 0.00 178.16 176.93 1xmd h TYR 429 N 0.71 0.34 -0.31 -3.82 5.03 -0.77 0.19 116.97 118.34 1xmd h TYR 429 Ca 0.15 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 1xmd h TYR 429 Cb 0.44 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1xmd h TYR 429 CO 0.03 0.17 -0.05 0.00 -1.32 0.00 0.00 178.16 176.98 1xmd h ARG 430 N 0.38 0.58 -0.07 1.82 3.08 -0.84 0.15 114.38 119.48 1xmd h ARG 430 Ca 0.18 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 1xmd h ARG 430 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xmd h ARG 430 CO -0.15 0.75 -0.66 1.25 -1.07 0.00 0.00 179.97 180.10 1xmd h LEU 431 N 0.35 0.33 -1.16 3.04 5.85 -0.86 -3.34 115.31 119.51 1xmd h LEU 431 Ca 0.08 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xmd h LEU 431 Cb 0.53 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xmd h LEU 431 CO 0.03 0.89 -0.03 1.41 -0.34 0.00 0.00 178.44 180.40 1xmd n HIS 432 N -3.84 0.00 -1.12 1.25 8.25 0.63 -5.01 115.22 115.38 1xmd n HIS 432 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.39 1xmd n HIS 432 Cb 0.66 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 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 0.49 0.62 3.33 -1.41 0.00 0.53 -4.98 105.19 103.77 1xmd n GLY 433 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.76 1.05 0.15 1.61 1.70 -1.22 -5.03 118.95 115.46 1xmd s ARG 434 Ca 0.00 -0.58 -0.31 0.00 -0.47 0.00 0.00 55.73 54.37 1xmd s ARG 434 Cb 0.00 0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 1xmd s ARG 434 CO 0.00 -0.40 1.37 -2.14 -1.08 0.00 0.00 175.30 173.04 1xmd s PRO 435 N -3.41 4.34 -0.29 3.89 0.02 -1.26 -3.91 135.00 134.37 1xmd s PRO 435 Ca 0.00 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 1xmd s PRO 435 Cb 0.01 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1xmd s PRO 435 CO -0.09 -0.38 0.28 0.20 -0.33 0.00 0.00 177.00 176.68 1xmd s GLY 436 N 0.81 1.91 0.13 0.52 0.00 -1.26 -5.03 107.32 104.40 1xmd s GLY 436 Ca 0.62 -1.06 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 1xmd s GLY 436 CO 0.34 0.82 1.83 0.00 0.00 0.00 0.00 173.10 176.09 1xmd s TYR 439 N -0.66 2.93 -0.09 0.00 6.14 0.53 -3.09 117.35 123.12 1xmd s TYR 439 Ca 0.09 -1.00 0.05 0.00 0.64 0.00 0.00 57.07 56.85 1xmd s TYR 439 Cb -0.09 -2.07 -0.00 0.00 0.42 0.00 0.00 41.96 40.22 1xmd s TYR 439 CO 0.00 -0.55 -0.24 -2.00 0.64 0.00 0.00 175.55 173.40 1xmd s GLU 440 N 1.38 2.89 0.23 4.97 2.12 -0.13 -0.30 118.70 129.85 1xmd s GLU 440 Ca 0.05 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 1xmd s GLU 440 Cb -0.14 -2.25 -0.09 0.00 0.26 0.00 0.00 34.13 31.91 1xmd s GLU 440 CO -0.04 0.24 1.32 0.99 -0.54 0.00 0.00 175.26 177.23 1xmd s THR 441 N 0.20 3.07 -0.11 -1.70 2.01 -0.98 -1.22 115.64 116.90 1xmd s THR 441 Ca -0.15 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.78 1xmd s THR 441 Cb -0.17 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1xmd s THR 441 CO 0.07 0.15 -0.16 0.00 -0.69 0.00 0.00 174.62 174.00 1xmd s ALA 442 N -0.13 1.75 0.31 7.40 0.00 -0.43 -4.78 121.76 125.89 1xmd s ALA 442 Ca 0.55 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1xmd s ALA 442 Cb -0.38 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 1xmd s ALA 442 CO 0.41 -0.07 0.86 0.00 0.00 0.00 0.00 175.76 176.96 1xmd s MET 443 N 0.97 4.37 -0.27 0.00 0.23 -1.26 -0.14 119.30 123.20 1xmd s MET 443 Ca -0.07 1.10 0.11 0.00 -1.03 0.00 0.00 55.69 55.80 1xmd s MET 443 Cb -0.15 -2.68 0.47 0.00 -1.53 0.00 0.00 34.83 30.94 1xmd s MET 443 CO -0.02 0.25 1.17 0.25 -2.03 0.00 0.00 175.02 174.65 1xmd n THR 444 N 0.32 2.20 1.18 3.16 -2.24 -0.51 -4.30 114.28 114.08 1xmd n THR 444 Ca 0.02 -3.83 0.05 0.00 -2.27 0.00 0.00 64.05 58.02 1xmd n THR 444 Cb 0.51 -0.52 0.30 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.69 0.59 0.19 -0.78 1.74 -1.25 -2.41 116.66 114.05 1xmd n ARG 445 Ca 0.34 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 1xmd n ARG 445 Cb 0.92 -1.27 0.36 0.00 -1.02 0.00 0.00 32.46 31.45 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 -2.56 -1.55 0.05 -1.87 0.23 116.97 111.27 1xmd h TYR 446 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 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 0.38 -0.49 -0.06 -1.05 0.00 0.00 178.16 176.93 1xmd s PHE 447 N -3.75 3.38 -0.16 4.88 0.08 -1.01 -4.29 117.98 117.11 1xmd s PHE 447 Ca -0.01 0.06 -0.37 0.00 0.12 0.00 0.00 56.93 56.73 1xmd s PHE 447 Cb 0.12 -1.61 -0.14 0.00 -0.57 0.00 0.00 43.02 40.82 1xmd s PHE 447 CO 0.69 0.51 1.77 0.98 -0.10 0.00 0.00 175.22 179.07 1xmd n TYR 448 N -0.58 2.14 -2.21 0.36 4.19 -0.23 -0.38 117.16 120.46 1xmd n TYR 448 Ca -0.08 0.31 -0.14 0.00 3.31 0.00 0.00 57.90 61.30 1xmd n TYR 448 Cb 0.55 -2.54 -0.02 0.00 0.49 0.00 0.00 39.34 37.82 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 5.62 -1.10 -2.29 2.98 8.25 -1.26 -4.63 115.22 122.79 1xmd n HIS 449 Ca 0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 1xmd n HIS 449 Cb 0.21 -2.97 -0.03 0.00 1.12 0.00 0.00 29.99 28.32 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 -2.07 2.20 0.00 -1.41 0.00 0.48 -4.89 107.32 101.64 1xmd s GLY 450 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1xmd s GLY 450 CO 0.00 2.19 0.00 0.54 0.00 0.00 0.00 173.10 175.83 1xmd n ARG 451 N 3.83 0.00 -4.34 2.90 1.74 -1.26 -3.87 116.66 115.66 1xmd n ARG 451 Ca 0.10 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.01 1xmd n ARG 451 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 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 0.76 0.05 0.55 -4.23 -1.26 -1.42 115.64 110.08 1xmd s THR 452 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1xmd s THR 452 Cb 0.00 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1xmd s THR 452 CO 0.00 -0.09 0.11 -0.70 -0.54 0.00 0.00 174.62 173.40 1xmd s GLU 453 N -3.97 0.65 -0.03 3.99 2.56 0.80 -4.83 118.70 117.87 1xmd s GLU 453 Ca 0.35 -0.83 -0.17 0.00 0.00 0.00 0.00 54.97 54.33 1xmd s GLU 453 Cb 0.08 0.25 -0.05 0.00 2.00 0.00 0.00 34.13 36.41 1xmd s GLU 453 CO 0.13 -0.17 0.46 0.99 -0.56 0.00 0.00 175.26 176.11 1xmd s THR 454 N -2.96 5.04 -0.18 -1.70 2.01 -1.26 -1.31 115.64 115.27 1xmd s THR 454 Ca -0.02 0.95 -0.01 0.00 0.31 0.00 0.00 61.69 62.92 1xmd s THR 454 Cb 0.01 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1xmd s THR 454 CO -0.06 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 1xmd s VAL 455 N -0.42 2.78 -0.84 3.82 1.01 -0.36 -4.74 120.40 121.65 1xmd s VAL 455 Ca 0.25 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1xmd s VAL 455 Cb -0.17 -2.20 0.18 0.00 0.00 0.00 0.00 36.38 34.19 1xmd s VAL 455 CO 0.13 0.49 0.90 -0.13 0.00 0.00 0.00 175.10 176.49 1xmd s ARG 456 N 1.10 3.55 0.58 2.72 0.52 -1.26 -0.96 118.95 125.20 1xmd s ARG 456 Ca 0.00 -2.10 0.28 0.00 -0.52 0.00 0.00 55.73 53.39 1xmd s ARG 456 Cb -0.14 -4.60 1.73 0.00 0.52 0.00 0.00 34.95 32.46 1xmd s ARG 456 CO -0.04 -1.49 2.23 0.77 0.02 0.00 0.00 175.30 176.79 1xmd h SER 457 N 8.30 0.00 -0.65 0.23 0.02 -1.93 -3.36 113.55 116.17 1xmd h SER 457 Ca 0.09 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.35 1xmd h SER 457 Cb 1.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 1xmd h SER 457 CO 0.92 0.01 2.45 0.00 -1.14 0.00 0.00 176.83 179.07 1xmd s THR 459 N 3.84 2.89 0.27 0.00 -4.23 -1.26 -4.87 115.64 112.28 1xmd s THR 459 Ca 0.52 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1xmd s THR 459 Cb 0.07 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 71.04 1xmd s THR 459 CO 0.03 -0.05 1.88 0.58 -0.54 0.00 0.00 174.62 176.52 1xmd h VAL 460 N 0.14 1.23 -0.62 2.29 2.07 -1.92 -1.65 116.25 117.79 1xmd h VAL 460 Ca -0.43 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1xmd h VAL 460 Cb 1.29 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1xmd h VAL 460 CO 0.53 0.27 0.23 -0.33 0.02 0.00 0.00 177.57 178.29 1xmd h GLU 461 N 1.04 0.94 -0.47 1.57 3.07 -1.94 -0.84 114.58 117.96 1xmd h GLU 461 Ca 0.26 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1xmd h GLU 461 Cb 0.07 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1xmd h GLU 461 CO -0.04 0.80 -0.01 0.00 -1.40 0.00 0.00 179.01 178.37 1xmd h ALA 462 N 1.09 0.63 -0.38 3.43 0.00 -1.77 -2.04 119.26 120.21 1xmd h ALA 462 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xmd h ALA 462 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xmd h ALA 462 CO -0.01 0.44 0.05 0.28 0.00 0.00 0.00 179.25 180.00 1xmd h VAL 463 N 0.68 1.24 -0.95 0.00 2.07 -1.13 -0.62 116.25 117.55 1xmd h VAL 463 Ca 0.13 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1xmd h VAL 463 Cb 0.52 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1xmd h VAL 463 CO 0.03 0.30 0.62 0.03 0.02 0.00 0.00 177.57 178.56 1xmd h ARG 464 N 0.48 1.16 -0.36 1.57 3.08 -1.07 -1.02 114.38 118.22 1xmd h ARG 464 Ca 0.11 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1xmd h ARG 464 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xmd h ARG 464 CO 0.01 0.77 -0.00 2.35 -1.07 0.00 0.00 179.97 182.03 1xmd h TRP 465 N 1.20 0.70 -0.84 3.04 7.01 -1.14 -2.38 115.95 123.54 1xmd h TRP 465 Ca 0.38 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 61.29 1xmd h TRP 465 Cb -0.01 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 26.82 1xmd h TRP 465 CO -0.01 0.74 0.53 0.00 -2.79 0.00 0.00 178.44 176.92 1xmd h GLN 467 N 1.02 0.59 -0.46 0.00 4.20 -1.06 -2.51 115.11 116.90 1xmd h GLN 467 Ca 0.35 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1xmd h GLN 467 Cb 0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1xmd h GLN 467 CO -0.14 0.56 0.27 0.66 -0.67 0.00 0.00 178.83 179.51 1xmd h SER 468 N 0.50 0.54 0.52 1.46 4.64 -0.92 0.11 113.55 120.40 1xmd h SER 468 Ca 0.13 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1xmd h SER 468 Cb 0.18 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xmd h SER 468 CO -0.01 0.43 -0.15 0.24 -0.87 0.00 0.00 176.83 176.46 1xmd h MET 469 N 0.63 0.00 -0.20 4.77 2.86 -0.79 -2.29 114.93 119.90 1xmd h MET 469 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1xmd h MET 469 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1xmd h MET 469 CO -0.03 0.15 0.00 1.04 1.06 0.00 0.00 176.91 179.13 1xmd n GLN 470 N -3.56 1.92 -3.23 1.72 1.13 -0.32 -4.90 117.38 110.14 1xmd n GLN 470 Ca -0.01 -1.84 -0.44 0.00 -1.94 0.00 0.00 57.00 52.77 1xmd n GLN 470 Cb 0.29 -1.37 -0.07 0.00 0.11 0.00 0.00 30.24 29.20 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 -1.32 6.21 0.53 1.08 2.15 -0.12 -4.95 116.67 120.25 1xmd s ASP 471 Ca 0.26 -0.90 0.28 0.00 0.43 0.00 0.00 52.55 52.63 1xmd s ASP 471 Cb 0.16 -2.26 1.43 0.00 -0.30 0.00 0.00 42.92 41.96 1xmd s ASP 471 CO 0.23 -0.77 1.94 -0.65 -0.17 0.00 0.00 175.17 175.75 1xmd h PRO 472 N 8.89 0.01 -0.01 4.34 0.11 -1.90 0.84 132.00 144.27 1xmd h PRO 472 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xmd h PRO 472 Cb 1.10 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xmd h PRO 472 CO 0.91 0.01 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.41 1xmd n SER 473 N -4.33 0.86 -4.73 -2.05 3.41 -1.26 -4.88 113.62 100.65 1xmd n SER 473 Ca 0.14 -0.86 -0.41 0.00 -0.26 0.00 0.00 58.87 57.48 1xmd n SER 473 Cb 0.77 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 1xmd n SER 473 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xmd s ALA 474 N -2.41 3.31 0.78 7.33 0.00 0.29 -5.04 121.76 126.01 1xmd s ALA 474 Ca 0.28 0.71 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1xmd s ALA 474 Cb 0.20 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 20.07 1xmd s ALA 474 CO 0.48 -0.18 1.11 -1.54 0.00 0.00 0.00 175.76 175.63 1xmd s SER 475 N 0.19 4.42 0.21 0.00 1.04 -1.26 -4.93 113.70 113.37 1xmd s SER 475 Ca 0.50 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.38 1xmd s SER 475 Cb -0.26 -0.97 0.18 0.00 0.10 0.00 0.00 66.02 65.06 1xmd s SER 475 CO 0.32 -1.89 1.58 -0.07 0.98 0.00 0.00 173.24 174.16 1xmd h LEU 476 N -0.90 0.68 -0.72 2.42 4.07 -1.99 -2.52 115.31 116.34 1xmd h LEU 476 Ca -0.44 -0.30 -0.08 0.00 0.08 0.00 0.00 57.88 57.14 1xmd h LEU 476 Cb 1.31 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1xmd h LEU 476 CO 0.57 0.99 0.07 0.25 -1.08 0.00 0.00 178.44 179.24 1xmd h LEU 477 N 0.53 1.01 -0.01 1.67 5.85 -1.95 -1.02 115.31 121.39 1xmd h LEU 477 Ca 0.05 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1xmd h LEU 477 Cb 0.90 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1xmd h LEU 477 CO 0.08 1.02 0.01 -0.08 -0.34 0.00 0.00 178.44 179.13 1xmd h GLU 478 N 0.98 0.02 -0.86 1.25 4.81 -1.91 0.10 114.58 118.98 1xmd h GLU 478 Ca 0.19 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1xmd h GLU 478 Cb 0.47 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1xmd h GLU 478 CO 0.02 0.14 0.43 0.00 -0.73 0.00 0.00 179.01 178.87 1xmd h ARG 479 N -0.11 1.22 -0.17 1.92 3.08 -1.34 -1.36 114.38 117.62 1xmd h ARG 479 Ca 0.00 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1xmd h ARG 479 Cb 0.13 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1xmd h ARG 479 CO -0.00 0.92 -0.06 0.37 -1.07 0.00 0.00 179.97 180.13 1xmd h GLN 480 N 1.21 0.34 -0.68 0.04 4.15 -1.03 -0.56 115.11 118.57 1xmd h GLN 480 Ca 0.30 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.62 1xmd h GLN 480 Cb 0.09 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1xmd h GLN 480 CO -0.04 0.63 0.40 0.37 -1.93 0.00 0.00 178.83 178.26 1xmd h GLN 481 N 0.03 0.75 -0.18 1.69 5.75 -0.83 -0.82 115.11 121.50 1xmd h GLN 481 Ca 0.04 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 1xmd h GLN 481 Cb 0.52 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1xmd h GLN 481 CO 0.02 0.50 -0.55 0.87 -2.65 0.00 0.00 178.83 177.01 1xmd h LYS 482 N 0.77 0.54 -0.69 1.69 1.57 -1.19 -1.96 116.57 117.30 1xmd h LYS 482 Ca 0.29 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1xmd h LYS 482 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1xmd h LYS 482 CO -0.14 0.95 0.19 1.98 -0.57 0.00 0.00 179.45 181.86 1xmd h MET 483 N 0.42 1.09 -0.67 3.15 4.05 -0.66 -1.67 114.93 120.63 1xmd h MET 483 Ca 0.01 -0.25 -0.07 0.00 -0.28 0.00 0.00 59.70 59.10 1xmd h MET 483 Cb 1.10 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 1xmd h MET 483 CO 0.10 0.95 0.13 -0.07 0.23 0.00 0.00 176.91 178.26 1xmd h LEU 484 N 1.02 1.04 -1.33 3.39 3.38 -1.05 -1.31 115.31 120.45 1xmd h LEU 484 Ca 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xmd h LEU 484 Cb 0.34 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xmd h LEU 484 CO -0.00 1.02 0.31 -0.33 0.09 0.00 0.00 178.44 179.53 1xmd h GLU 485 N 1.02 0.76 -0.50 1.13 5.08 -0.98 -1.02 114.58 120.07 1xmd h GLU 485 Ca 0.21 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1xmd h GLU 485 Cb 0.41 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xmd h GLU 485 CO 0.01 0.56 -0.11 0.00 -1.00 0.00 0.00 179.01 178.46 1xmd h ALA 486 N 1.57 0.86 -0.20 3.43 0.00 -0.64 -2.14 119.26 122.13 1xmd h ALA 486 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xmd h ALA 486 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xmd h ALA 486 CO -0.03 0.65 0.09 0.74 0.00 0.00 0.00 179.25 180.69 1xmd h PHE 487 N 0.83 0.30 -0.60 0.00 -1.00 -0.29 -1.38 116.94 114.80 1xmd h PHE 487 Ca 0.13 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.94 1xmd h PHE 487 Cb 0.65 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 1xmd h PHE 487 CO 0.04 0.33 0.34 0.00 -1.61 0.00 0.00 178.31 177.41 1xmd h ALA 488 N 0.94 0.79 0.04 2.45 0.00 -1.10 0.87 119.26 123.26 1xmd h ALA 488 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xmd h ALA 488 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xmd h ALA 488 CO -0.01 0.04 -0.02 -0.22 0.00 0.00 0.00 179.25 179.04 1xmd h LYS 489 N 0.66 -0.06 -0.58 0.00 1.63 -1.26 -1.83 116.57 115.13 1xmd h LYS 489 Ca 0.26 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1xmd h LYS 489 Cb 0.10 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1xmd h LYS 489 CO -0.14 0.14 0.32 1.25 -3.45 0.00 0.00 179.45 177.57 1xmd h HIS 490 N -0.25 0.79 -0.46 1.91 2.76 -0.97 -0.43 115.15 118.49 1xmd h HIS 490 Ca -0.01 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1xmd h HIS 490 Cb 0.22 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1xmd h HIS 490 CO -0.01 0.57 0.26 -0.91 -1.30 0.00 0.00 177.93 176.53 1xmd h ASN 491 N 0.78 0.40 -0.82 3.26 2.35 -0.79 0.92 115.58 121.68 1xmd h ASN 491 Ca 0.20 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xmd h ASN 491 Cb 0.03 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1xmd h ASN 491 CO -0.03 0.28 0.47 0.50 -1.65 0.00 0.00 177.43 177.00 1xmd h LYS 492 N 0.51 1.13 0.14 0.81 1.63 -0.99 -1.70 116.57 118.10 1xmd h LYS 492 Ca 0.19 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1xmd h LYS 492 Cb 0.05 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1xmd h LYS 492 CO -0.11 0.81 -0.07 1.98 -3.45 0.00 0.00 179.45 178.62 1xmd h MET 493 N 1.13 -0.18 -0.94 1.90 4.05 -0.24 -0.61 114.93 120.05 1xmd h MET 493 Ca 0.29 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1xmd h MET 493 Cb -0.00 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 1xmd h MET 493 CO -0.05 -0.08 0.57 1.98 0.23 0.00 0.00 176.91 179.56 1xmd h MET 494 N -0.23 1.28 -0.05 0.39 1.85 -0.70 -0.46 114.93 117.01 1xmd h MET 494 Ca -0.02 -0.11 -0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1xmd h MET 494 Cb 0.18 -0.27 -0.00 0.00 0.43 0.00 0.00 31.60 31.94 1xmd h MET 494 CO 0.03 0.89 0.01 -0.22 -0.40 0.00 0.00 176.91 177.22 1xmd h LYS 495 N 1.30 0.08 -0.20 0.39 3.64 -1.09 -1.40 116.57 119.28 1xmd h LYS 495 Ca 0.34 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1xmd h LYS 495 Cb -0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1xmd h LYS 495 CO -0.06 0.27 0.10 -0.44 -2.27 0.00 0.00 179.45 177.05 1xmd h ASP 496 N -0.13 0.26 -0.01 4.20 5.19 -0.91 -1.84 116.42 123.18 1xmd h ASP 496 Ca 0.02 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1xmd h ASP 496 Cb 0.23 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1xmd h ASP 496 CO -0.00 0.30 -0.01 0.00 -3.12 0.00 0.00 179.24 176.41 1xmd h SER 498 N -0.01 0.00 -0.47 0.00 4.64 -1.21 -0.76 113.55 115.74 1xmd h SER 498 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xmd h SER 498 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xmd h SER 498 CO -0.02 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 1xmd n HIS 499 N -3.47 0.78 -0.92 4.77 -0.00 -0.70 -4.44 115.22 111.24 1xmd n HIS 499 Ca -0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 57.72 57.35 1xmd n HIS 499 Cb 0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 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 1.12 0.48 1.07 -1.41 0.00 -0.29 -4.93 105.19 101.23 1xmd n GLY 500 Ca 0.17 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.92 3.09 -1.07 1.61 5.02 0.12 -4.41 118.16 119.61 1xmd n LYS 501 Ca 0.00 -2.51 -0.27 0.00 -2.02 0.00 0.00 58.31 53.51 1xmd n LYS 501 Cb 0.00 -1.58 0.22 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.74 -2.51 0.00 0.72 0.00 -1.24 -4.68 105.19 98.23 1xmd n GLY 502 Ca 0.19 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.44 0.00 -0.14 1.61 1.16 -1.26 -4.72 117.46 109.66 1xmd n PHE 503 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.64 1xmd n PHE 503 Cb 0.52 0.00 0.01 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 0.53 -0.04 5.98 3.32 -1.95 -0.91 116.42 123.34 1xmd h ASP 504 Ca 0.00 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1xmd h ASP 504 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1xmd h ASP 504 CO 0.00 0.43 -0.45 0.03 -1.72 0.00 0.00 179.24 177.53 1xmd h ARG 505 N 0.58 0.58 -0.20 3.56 2.47 -1.94 -2.48 114.38 116.96 1xmd h ARG 505 Ca 0.16 -0.32 0.03 0.00 -1.26 0.00 0.00 59.98 58.59 1xmd h ARG 505 Cb 0.00 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 1xmd h ARG 505 CO -0.03 0.91 0.04 1.25 0.56 0.00 0.00 179.97 182.70 1xmd h HIS 506 N 0.47 0.06 -0.51 3.04 2.76 -1.77 0.12 115.15 119.33 1xmd h HIS 506 Ca 0.03 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1xmd h HIS 506 Cb 0.97 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 1xmd h HIS 506 CO 0.04 0.02 0.07 -0.07 -1.30 0.00 0.00 177.93 176.69 1xmd h LEU 507 N 0.12 0.77 -0.77 0.26 3.38 -1.12 -1.68 115.31 116.27 1xmd h LEU 507 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1xmd h LEU 507 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1xmd h LEU 507 CO -0.12 0.79 0.34 0.25 0.09 0.00 0.00 178.44 179.80 1xmd h LEU 508 N 0.77 1.04 -0.86 1.67 5.85 -0.93 -1.77 115.31 121.08 1xmd h LEU 508 Ca 0.16 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xmd h LEU 508 Cb 0.37 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1xmd h LEU 508 CO 0.01 0.90 0.52 1.23 -0.34 0.00 0.00 178.44 180.76 1xmd h GLY 509 N 1.10 1.25 0.97 3.75 0.00 0.00 -0.49 103.07 109.65 1xmd h GLY 509 Ca 0.26 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1xmd h GLY 509 CO -0.03 0.50 0.16 1.41 0.00 0.00 0.00 176.54 178.59 1xmd h LEU 510 N 1.18 0.71 -0.51 3.11 3.38 -0.89 -1.07 115.31 121.23 1xmd h LEU 510 Ca 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xmd h LEU 510 Cb -0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1xmd h LEU 510 CO -0.06 0.72 0.33 0.25 0.09 0.00 0.00 178.44 179.77 1xmd h LEU 511 N 0.66 0.59 -1.16 1.67 5.85 -0.89 -2.66 115.31 119.38 1xmd h LEU 511 Ca 0.16 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1xmd h LEU 511 Cb 0.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1xmd h LEU 511 CO -0.01 0.44 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.10 1xmd h LEU 512 N 0.69 0.09 -0.07 2.25 3.38 -0.85 -2.20 115.31 118.60 1xmd h LEU 512 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xmd h LEU 512 Cb -0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xmd h LEU 512 CO -0.04 0.46 0.04 0.40 0.09 0.00 0.00 178.44 179.39 1xmd h ILE 513 N 0.08 1.04 0.44 1.22 1.08 -0.86 -0.70 117.51 119.81 1xmd h ILE 513 Ca 0.01 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1xmd h ILE 513 Cb 0.69 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1xmd h ILE 513 CO 0.05 0.04 -0.29 0.00 -0.69 0.00 0.00 178.15 177.26 1xmd h ALA 514 N 0.99 -1.10 -0.77 1.87 0.00 -1.23 -2.87 119.26 116.17 1xmd h ALA 514 Ca 0.03 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1xmd h ALA 514 Cb 0.02 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1xmd h ALA 514 CO -0.00 -1.08 0.28 0.87 0.00 0.00 0.00 179.25 179.32 1xmd h LYS 515 N -0.69 0.39 0.00 0.00 1.57 -1.42 0.99 116.57 117.41 1xmd h LYS 515 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xmd h LYS 515 Cb 0.56 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xmd h LYS 515 CO 0.04 0.26 -0.00 1.49 -0.57 0.00 0.00 179.45 180.67 1xmd h GLU 516 N 0.40 0.00 -0.21 3.15 4.81 -1.05 -1.02 114.58 120.66 1xmd h GLU 516 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1xmd h GLU 516 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1xmd h GLU 516 CO -0.44 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.23 1xmd n GLU 517 N -3.32 1.94 -0.65 1.92 1.02 0.29 -4.96 120.64 116.88 1xmd n GLU 517 Ca -0.03 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 1xmd n GLU 517 Cb 0.08 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1xmd n GLU 517 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmd n GLY 518 N 1.04 1.30 3.79 0.62 0.00 -0.39 -5.02 105.19 106.53 1xmd n GLY 518 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.73 0.89 0.99 1.43 -0.88 -4.96 118.68 119.88 1xmd s LEU 519 Ca 0.00 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1xmd s LEU 519 Cb 0.00 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.78 1xmd s LEU 519 CO 0.00 -1.07 1.11 -2.16 0.23 0.00 0.00 176.35 174.45 1xmd s PRO 520 N -3.42 1.29 -0.03 1.29 0.04 -1.26 -3.90 135.00 129.00 1xmd s PRO 520 Ca 0.69 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1xmd s PRO 520 Cb -0.20 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1xmd s PRO 520 CO 0.26 -2.33 1.24 0.08 0.04 0.00 0.00 177.00 176.29 1xmd s VAL 521 N -2.77 4.13 0.47 -0.36 1.01 -1.26 -4.78 120.40 116.83 1xmd s VAL 521 Ca 0.64 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.85 1xmd s VAL 521 Cb -0.20 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1xmd s VAL 521 CO 0.58 0.01 1.38 -2.84 0.00 0.00 0.00 175.10 174.22 1xmd s PRO 522 N 2.14 3.56 0.60 2.72 0.02 -1.26 -4.90 135.00 137.88 1xmd s PRO 522 Ca 0.58 2.30 0.30 0.00 0.02 0.00 0.00 61.00 64.19 1xmd s PRO 522 Cb -0.26 -2.53 1.74 0.00 0.02 0.00 0.00 34.50 33.47 1xmd s PRO 522 CO 0.24 -0.88 2.14 1.49 -0.33 0.00 0.00 177.00 179.66 1xmd h GLU 523 N 2.09 0.00 -0.95 5.54 4.81 -1.97 -2.65 114.58 121.45 1xmd h GLU 523 Ca -0.51 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1xmd h GLU 523 Cb 1.27 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1xmd h GLU 523 CO 0.60 0.00 0.60 1.25 -0.73 0.00 0.00 179.01 180.73 1xmd h LEU 524 N 0.00 0.92 -0.38 1.64 6.46 -1.90 -1.09 115.31 120.96 1xmd h LEU 524 Ca 0.06 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1xmd h LEU 524 Cb 0.38 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1xmd h LEU 524 CO -0.00 0.56 0.00 -0.26 -0.62 0.00 0.00 178.44 178.12 1xmd h PHE 525 N 1.04 0.00 0.00 1.25 -1.00 -1.85 -2.98 116.94 113.40 1xmd h PHE 525 Ca 0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1xmd h PHE 525 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1xmd h PHE 525 CO -0.02 0.00 -0.83 0.39 -1.61 0.00 0.00 178.31 176.25 1xmd n GLU 526 N -2.48 0.35 -1.67 1.51 1.02 -0.48 -4.76 120.64 114.13 1xmd n GLU 526 Ca 0.04 0.06 -0.46 0.00 -0.02 0.00 0.00 57.16 56.78 1xmd n GLU 526 Cb 0.37 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.16 3.20 -0.32 1.62 -0.08 -0.81 -4.86 116.55 113.15 1xmd n ASP 527 Ca 0.02 1.07 0.18 0.00 -1.51 0.00 0.00 54.79 54.55 1xmd n ASP 527 Cb 0.46 -1.43 0.44 0.00 2.34 0.00 0.00 41.12 42.92 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 6.32 0.52 0.00 -0.67 0.11 -1.90 -0.08 132.00 136.30 1xmd h PRO 528 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xmd h PRO 528 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xmd h PRO 528 CO 0.90 0.34 0.00 -0.07 -0.21 0.00 0.00 178.00 178.96 1xmd h LEU 529 N 0.54 0.00 -0.15 2.35 3.38 -1.94 -2.09 115.31 117.40 1xmd h LEU 529 Ca 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.52 1xmd h LEU 529 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1xmd h LEU 529 CO -0.31 0.00 0.03 0.15 0.09 0.00 0.00 178.44 178.40 1xmd h PHE 530 N 0.00 0.25 0.00 1.13 3.04 -1.27 -2.04 116.94 118.05 1xmd h PHE 530 Ca 0.00 -0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.74 1xmd h PHE 530 Cb 0.42 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 1xmd h PHE 530 CO 0.00 0.39 -0.99 0.66 -2.02 0.00 0.00 178.31 176.35 1xmd h SER 531 N 0.04 0.00 0.14 0.41 4.64 -1.66 -0.57 113.55 116.55 1xmd h SER 531 Ca 0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1xmd h SER 531 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1xmd h SER 531 CO 0.00 0.79 -0.32 -0.09 -0.87 0.00 0.00 176.83 176.34 1xmd h ARG 532 N 0.00 0.28 0.00 4.77 2.43 -1.37 -1.80 114.38 118.69 1xmd h ARG 532 Ca -0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1xmd h ARG 532 Cb 1.66 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1xmd h ARG 532 CO 0.09 0.57 0.00 -1.13 -1.51 0.00 0.00 179.97 177.99 1xmd n SER 533 N -4.10 0.00 0.00 -3.80 3.41 -0.77 -4.87 113.62 103.50 1xmd n SER 533 Ca -0.01 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1xmd n SER 533 Cb 0.42 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.13 1.95 3.59 5.00 0.00 -0.68 -4.77 105.19 111.42 1xmd n GLY 534 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.50 2.08 -0.02 0.00 -0.22 -0.91 105.19 105.61 1xmd n GLY 535 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 1.36 0.42 2.66 -0.02 0.00 -1.26 -3.74 105.19 104.62 1xmd n GLY 536 Ca 0.14 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.77 0.03 0.90 -0.02 0.00 -1.16 -4.97 105.19 98.21 1xmd n GLY 537 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.49 2.19 -4.72 1.61 3.02 -0.09 -4.74 115.26 111.03 1xmd n ASN 538 Ca -0.04 -3.80 -0.42 0.00 -0.03 0.00 0.00 54.58 50.29 1xmd n ASN 538 Cb 0.55 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 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 -3.23 3.64 -0.80 3.10 0.40 -1.24 -4.50 117.98 115.35 1xmd s PHE 539 Ca 0.42 1.62 0.26 0.00 -0.60 0.00 0.00 56.93 58.63 1xmd s PHE 539 Cb 0.39 -3.19 0.94 0.00 0.51 0.00 0.00 43.02 41.66 1xmd s PHE 539 CO -0.03 -0.31 1.81 1.55 0.70 0.00 0.00 175.22 178.94 1xmd n VAL 540 N 3.44 0.45 -3.86 -0.44 3.14 -0.90 -4.26 118.33 115.91 1xmd n VAL 540 Ca 0.05 -0.16 -0.29 0.00 -2.96 0.00 0.00 64.34 60.98 1xmd n VAL 540 Cb 0.49 -0.61 -0.16 0.00 -1.06 0.00 0.00 33.84 32.50 1xmd n VAL 540 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xmd s LEU 541 N -4.06 1.93 -0.30 6.55 1.43 -0.98 0.53 118.68 123.78 1xmd s LEU 541 Ca 0.11 -0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 1xmd s LEU 541 Cb 0.14 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1xmd s LEU 541 CO 0.56 -0.26 0.10 -0.55 0.23 0.00 0.00 176.35 176.43 1xmd s SER 542 N 1.60 5.23 0.23 2.29 0.15 -0.67 -0.35 113.70 122.18 1xmd s SER 542 Ca -0.03 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1xmd s SER 542 Cb -0.18 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1xmd s SER 542 CO -0.07 -0.19 0.12 0.42 1.20 0.00 0.00 173.24 174.72 1xmd s THR 543 N 1.53 0.25 -0.28 6.45 -4.23 0.58 -0.74 115.64 119.21 1xmd s THR 543 Ca 0.03 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.27 1xmd s THR 543 Cb -0.17 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1xmd s THR 543 CO 0.03 0.00 1.33 -0.55 -0.54 0.00 0.00 174.62 174.89 1xmd s SER 544 N -3.23 -0.12 0.07 3.99 0.15 -1.17 -2.32 113.70 111.07 1xmd s SER 544 Ca 0.38 0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.97 1xmd s SER 544 Cb 0.07 0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1xmd s SER 544 CO 0.13 -0.07 0.79 -0.22 1.20 0.00 0.00 173.24 175.07 1xmd s LEU 545 N -0.42 4.48 -0.03 3.45 2.96 -1.26 -2.85 118.68 125.00 1xmd s LEU 545 Ca 0.07 1.52 0.21 0.00 -0.22 0.00 0.00 54.13 55.71 1xmd s LEU 545 Cb -0.03 -3.29 0.67 0.00 0.50 0.00 0.00 46.19 44.04 1xmd s LEU 545 CO -0.10 0.03 1.56 1.33 -1.32 0.00 0.00 176.35 177.85 1xmd n VAL 546 N 2.64 1.20 0.00 1.68 0.24 0.14 -4.93 118.33 119.30 1xmd n VAL 546 Ca -0.02 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1xmd n VAL 546 Cb 0.50 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1xmd n VAL 546 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xmd n GLY 547 N 1.53 -1.03 1.57 7.63 0.00 -1.26 -4.71 105.19 108.92 1xmd n GLY 547 Ca 0.25 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 0.93 -1.49 1.61 4.02 -1.26 -1.28 117.16 119.68 1xmd n TYR 548 Ca 0.00 -1.57 -0.10 0.00 -0.01 0.00 0.00 57.90 56.22 1xmd n TYR 548 Cb 0.00 -0.25 0.17 0.00 -0.02 0.00 0.00 39.34 39.25 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 -0.55 4.67 -0.01 7.72 4.77 -1.26 -4.94 117.00 127.40 1xmd n LEU 549 Ca 0.20 -3.91 -0.00 0.00 -0.03 0.00 0.00 56.01 52.27 1xmd n LEU 549 Cb 0.89 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1xmd n LEU 549 CO 0.09 1.36 -0.00 0.54 -1.33 0.00 0.00 177.39 178.05 1xmd n ARG 550 N -1.08 -2.00 -4.10 3.23 1.74 -1.26 -4.75 116.66 108.44 1xmd n ARG 550 Ca 0.39 0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 57.62 1xmd n ARG 550 Cb 1.06 -4.94 -0.07 0.00 -1.02 0.00 0.00 32.46 27.48 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 -0.99 4.83 0.06 1.55 1.01 -1.26 -4.76 120.40 120.84 1xmd s VAL 551 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1xmd s VAL 551 Cb 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1xmd s VAL 551 CO 0.00 0.44 -0.13 -1.58 0.00 0.00 0.00 175.10 173.83 1xmd s GLN 552 N -1.47 0.78 0.16 2.72 2.00 -1.26 -4.69 119.66 117.90 1xmd s GLN 552 Ca 0.20 -0.87 -0.01 0.00 -2.00 0.00 0.00 55.36 52.67 1xmd s GLN 552 Cb -0.12 -0.75 0.01 0.00 0.80 0.00 0.00 33.01 32.95 1xmd s GLN 552 CO 0.10 0.17 0.23 0.41 -0.50 0.00 0.00 175.29 175.70 1xmd n GLY 553 N 1.45 2.59 3.62 2.59 0.00 -1.26 -3.71 105.19 110.46 1xmd n GLY 553 Ca -0.21 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 1xmd n GLY 553 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmd s VAL 554 N -2.60 0.00 0.16 1.61 0.11 -0.10 -4.73 120.40 114.85 1xmd s VAL 554 Ca 0.13 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1xmd s VAL 554 Cb -0.01 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1xmd s VAL 554 CO 0.09 0.00 0.21 0.68 -3.33 0.00 0.00 175.10 172.75 1xmd s VAL 555 N -2.69 0.07 0.76 2.04 -7.23 -1.26 -1.91 120.40 110.17 1xmd s VAL 555 Ca 0.11 -1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 1xmd s VAL 555 Cb 0.01 -2.00 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1xmd s VAL 555 CO -0.04 -0.30 1.08 0.68 -0.31 0.00 0.00 175.10 176.21 1xmd s VAL 556 N -4.02 3.46 1.03 1.32 -7.23 -1.26 -4.67 120.40 109.03 1xmd s VAL 556 Ca 0.22 0.47 -0.14 0.00 -1.81 0.00 0.00 61.98 60.72 1xmd s VAL 556 Cb 0.05 -3.21 0.11 0.00 0.56 0.00 0.00 36.38 33.89 1xmd s VAL 556 CO 0.02 -0.62 0.47 -2.65 -0.31 0.00 0.00 175.10 172.02 1xmd n PRO 557 N -3.32 -1.02 0.05 4.82 -0.02 -1.26 -4.77 135.00 129.48 1xmd n PRO 557 Ca 0.07 -0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 1xmd n PRO 557 Cb 0.55 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1xmd n PRO 557 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1xmd h MET 558 N -1.92 0.00 -4.69 -0.52 4.05 -1.80 -3.47 114.93 106.57 1xmd h MET 558 Ca -0.49 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.64 1xmd h MET 558 Cb 1.31 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.91 1xmd h MET 558 CO 0.38 0.55 -0.73 0.14 0.23 0.00 0.00 176.91 177.48 1xmd s VAL 559 N -2.82 0.65 0.25 -5.77 -7.23 -1.26 -4.93 120.40 99.29 1xmd s VAL 559 Ca -0.01 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1xmd s VAL 559 Cb 0.09 -0.84 0.27 0.00 0.56 0.00 0.00 36.38 36.46 1xmd s VAL 559 CO 0.80 -0.43 1.64 -0.74 -0.31 0.00 0.00 175.10 176.05 1xmd h HIS 560 N 4.23 -0.02 -0.60 2.82 2.76 -1.96 0.28 115.15 122.65 1xmd h HIS 560 Ca -0.36 0.05 -0.23 0.00 -2.20 0.00 0.00 60.37 57.63 1xmd h HIS 560 Cb 1.20 0.13 -0.13 0.00 1.55 0.00 0.00 27.41 30.15 1xmd h HIS 560 CO 0.64 -0.23 0.29 0.27 -1.30 0.00 0.00 177.93 177.59 1xmd n ASN 561 N -5.33 3.91 -3.61 3.26 6.94 -1.26 -4.45 115.26 114.72 1xmd n ASN 561 Ca 0.14 -2.97 -0.16 0.00 -0.02 0.00 0.00 54.58 51.56 1xmd n ASN 561 Cb 0.48 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.23 3.12 3.33 4.83 0.00 0.99 -4.87 105.19 112.35 1xmd n GLY 562 Ca 0.34 -2.26 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.69 1.64 -0.15 1.61 2.02 0.19 -4.45 117.35 116.51 1xmd s TYR 563 Ca 0.13 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 1xmd s TYR 563 Cb -0.01 -0.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1xmd s TYR 563 CO 0.08 0.29 -0.19 0.20 -1.57 0.00 0.00 175.55 174.36 1xmd s GLY 564 N -3.30 1.30 -0.18 0.71 0.00 0.10 -1.67 107.32 104.27 1xmd s GLY 564 Ca 0.22 -1.07 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 1xmd s GLY 564 CO 0.06 0.22 0.02 -0.12 0.00 0.00 0.00 173.10 173.28 1xmd s PHE 565 N 1.13 1.13 0.16 1.90 2.19 0.08 -0.21 117.98 124.37 1xmd s PHE 565 Ca -0.00 -0.86 0.08 0.00 0.33 0.00 0.00 56.93 56.48 1xmd s PHE 565 Cb -0.14 -1.06 -0.04 0.00 -1.31 0.00 0.00 43.02 40.47 1xmd s PHE 565 CO -0.08 -0.59 -0.18 -0.06 1.83 0.00 0.00 175.22 176.14 1xmd s PHE 566 N 1.82 1.77 0.14 10.12 0.08 -0.23 -3.06 117.98 128.62 1xmd s PHE 566 Ca -0.00 -0.48 -0.24 0.00 0.12 0.00 0.00 56.93 56.33 1xmd s PHE 566 Cb -0.16 -0.89 0.07 0.00 -0.57 0.00 0.00 43.02 41.46 1xmd s PHE 566 CO -0.07 0.30 0.70 1.52 -0.10 0.00 0.00 175.22 177.56 1xmd s TYR 567 N -2.04 -0.43 0.07 0.36 1.13 -1.13 -0.73 117.35 114.58 1xmd s TYR 567 Ca 0.15 0.19 0.03 0.00 -1.41 0.00 0.00 57.07 56.03 1xmd s TYR 567 Cb -0.06 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1xmd s TYR 567 CO 0.06 -0.84 -0.09 -3.38 -2.51 0.00 0.00 175.55 168.79 1xmd s HIS 568 N -3.62 0.86 -0.09 -3.49 -3.43 -0.79 0.27 115.29 105.00 1xmd s HIS 568 Ca 0.04 -0.60 0.01 0.00 -0.80 0.00 0.00 55.06 53.70 1xmd s HIS 568 Cb -0.02 -0.50 -0.02 0.00 -1.43 0.00 0.00 32.58 30.61 1xmd s HIS 568 CO -0.09 -0.06 -0.10 0.42 -2.00 0.00 0.00 174.74 172.91 1xmd s ILE 569 N -2.00 3.35 0.18 -5.38 1.01 -0.41 -2.48 121.20 115.49 1xmd s ILE 569 Ca -0.02 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.14 1xmd s ILE 569 Cb -0.06 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1xmd s ILE 569 CO -0.00 0.56 -0.20 -0.13 0.00 0.00 0.00 174.94 175.17 1xmd s ARG 570 N -0.34 1.38 0.59 2.79 0.52 -0.49 -4.36 118.95 119.04 1xmd s ARG 570 Ca 0.04 -1.48 0.28 0.00 -0.52 0.00 0.00 55.73 54.05 1xmd s ARG 570 Cb -0.13 -1.51 1.56 0.00 0.52 0.00 0.00 34.95 35.40 1xmd s ARG 570 CO 0.02 0.31 2.00 0.38 0.02 0.00 0.00 175.30 178.04 1xmd h ASP 571 N 3.13 0.00 0.00 0.23 2.03 -1.99 -2.79 116.42 117.03 1xmd h ASP 571 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1xmd h ASP 571 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1xmd h ASP 571 CO 0.51 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.82 1xmd n ASP 572 N -3.79 1.16 -3.73 4.15 5.75 -1.26 -5.09 116.55 113.74 1xmd n ASP 572 Ca 0.05 -1.25 -0.08 0.00 -0.01 0.00 0.00 54.79 53.49 1xmd n ASP 572 Cb 0.49 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.25 1.63 -0.08 0.11 1.70 -1.05 -4.77 118.95 116.25 1xmd s ARG 573 Ca 0.00 -0.83 0.03 0.00 -0.47 0.00 0.00 55.73 54.46 1xmd s ARG 573 Cb 0.00 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1xmd s ARG 573 CO 0.00 -0.74 -0.18 -0.06 -1.08 0.00 0.00 175.30 173.24 1xmd s PHE 574 N -3.86 1.99 -0.11 5.89 0.08 -0.48 -1.40 117.98 120.09 1xmd s PHE 574 Ca 0.08 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1xmd s PHE 574 Cb -0.05 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1xmd s PHE 574 CO 0.01 -0.32 -0.15 0.08 -0.10 0.00 0.00 175.22 174.74 1xmd s VAL 575 N 0.43 2.92 0.08 -0.44 1.01 -1.03 0.10 120.40 123.46 1xmd s VAL 575 Ca -0.15 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1xmd s VAL 575 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1xmd s VAL 575 CO 0.06 0.54 -0.15 0.68 0.00 0.00 0.00 175.10 176.23 1xmd s VAL 576 N 0.16 1.19 -0.05 2.92 -7.23 -0.62 -1.88 120.40 114.89 1xmd s VAL 576 Ca -0.08 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1xmd s VAL 576 Cb -0.15 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.67 1xmd s VAL 576 CO 0.05 -0.21 -0.06 0.00 -0.31 0.00 0.00 175.10 174.58 1xmd s ALA 577 N -1.27 0.79 0.00 1.32 0.00 0.09 -2.00 121.76 120.70 1xmd s ALA 577 Ca -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1xmd s ALA 577 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1xmd s ALA 577 CO 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 175.76 175.70 1xmd s SER 579 N -0.36 2.09 0.22 0.00 1.04 0.71 -0.94 113.70 116.46 1xmd s SER 579 Ca 0.02 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.67 1xmd s SER 579 Cb -0.04 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1xmd s SER 579 CO -0.00 0.02 0.57 -0.94 0.98 0.00 0.00 173.24 173.87 1xmd s SER 580 N -1.64 -0.26 -0.17 7.02 1.04 -0.69 -0.72 113.70 118.28 1xmd s SER 580 Ca 0.03 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.84 1xmd s SER 580 Cb -0.10 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1xmd s SER 580 CO 0.03 -1.13 0.09 0.26 0.98 0.00 0.00 173.24 173.46 1xmd s TRP 581 N -3.90 3.34 0.22 5.02 0.52 -1.26 -0.74 118.94 122.14 1xmd s TRP 581 Ca 0.11 0.22 -0.06 0.00 0.02 0.00 0.00 56.10 56.39 1xmd s TRP 581 Cb -0.02 -2.06 0.19 0.00 -1.15 0.00 0.00 33.47 30.43 1xmd s TRP 581 CO 0.01 0.30 1.72 0.00 0.02 0.00 0.00 176.95 179.00 1xmd h ARG 582 N 6.31 1.01 0.00 4.98 3.08 -1.44 -2.05 114.38 126.27 1xmd h ARG 582 Ca -0.42 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.37 1xmd h ARG 582 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1xmd h ARG 582 CO 0.69 0.94 0.08 -1.13 -1.07 0.00 0.00 179.97 179.48 1xmd n SER 583 N -4.22 0.00 -4.18 7.04 3.41 -1.26 -3.78 113.62 110.63 1xmd n SER 583 Ca 0.04 0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 1xmd n SER 583 Cb 0.29 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 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 8.15 0.00 -0.21 0.00 0.13 -1.82 -2.98 132.00 135.27 1xmd h PRO 585 Ca -0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 1xmd h PRO 585 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1xmd h PRO 585 CO 0.68 0.02 -0.35 0.93 -0.23 0.00 0.00 178.00 179.05 1xmd h GLU 586 N 0.00 0.61 -6.77 0.86 3.07 -1.92 -3.45 114.58 106.98 1xmd h GLU 586 Ca -0.00 -0.37 -0.49 0.00 -0.50 0.00 0.00 59.36 58.00 1xmd h GLU 586 Cb 0.05 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1xmd h GLU 586 CO 0.00 0.99 0.25 0.95 -1.40 0.00 0.00 179.01 179.80 1xmd s THR 587 N -4.13 4.37 -0.28 1.13 -4.23 -1.13 -5.06 115.64 106.32 1xmd s THR 587 Ca -0.13 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1xmd s THR 587 Cb 0.07 -3.92 0.16 0.00 1.34 0.00 0.00 72.50 70.16 1xmd s THR 587 CO 0.82 0.13 0.46 -0.62 -0.54 0.00 0.00 174.62 174.87 1xmd s ASP 588 N -1.68 -0.25 0.20 3.99 -1.08 -1.26 -4.84 116.67 111.75 1xmd s ASP 588 Ca 0.48 0.13 -0.12 0.00 -0.52 0.00 0.00 52.55 52.53 1xmd s ASP 588 Cb -0.17 1.42 0.23 0.00 -1.46 0.00 0.00 42.92 42.95 1xmd s ASP 588 CO 0.22 -0.31 1.71 0.00 0.52 0.00 0.00 175.17 177.31 1xmd h ALA 589 N 8.12 0.62 -0.44 3.66 0.00 -1.88 -1.83 119.26 127.50 1xmd h ALA 589 Ca -0.14 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xmd h ALA 589 Cb 1.15 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1xmd h ALA 589 CO 0.25 -0.31 0.18 1.49 0.00 0.00 0.00 179.25 180.86 1xmd h GLU 590 N 0.24 0.67 -0.87 0.00 4.57 -1.91 -2.07 114.58 115.21 1xmd h GLU 590 Ca 0.28 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1xmd h GLU 590 Cb 0.39 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1xmd h GLU 590 CO -0.36 0.61 0.45 -0.22 -1.18 0.00 0.00 179.01 178.30 1xmd h LYS 591 N 0.58 1.23 -0.60 1.92 1.63 -1.90 -1.47 116.57 117.96 1xmd h LYS 591 Ca 0.15 -0.16 -0.10 0.00 -0.85 0.00 0.00 60.65 59.68 1xmd h LYS 591 Cb 0.20 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 1xmd h LYS 591 CO -0.01 0.92 -0.03 1.25 -3.45 0.00 0.00 179.45 178.13 1xmd h LEU 592 N 1.22 1.06 -0.34 5.20 5.85 -1.15 -0.72 115.31 126.42 1xmd h LEU 592 Ca 0.30 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1xmd h LEU 592 Cb 0.08 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1xmd h LEU 592 CO -0.04 1.12 0.17 0.58 -0.34 0.00 0.00 178.44 179.92 1xmd h VAL 593 N 0.97 1.16 -0.68 1.05 2.07 -1.08 0.06 116.25 119.80 1xmd h VAL 593 Ca 0.17 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1xmd h VAL 593 Cb 0.59 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1xmd h VAL 593 CO 0.04 0.17 0.42 1.56 0.02 0.00 0.00 177.57 179.77 1xmd h GLN 594 N 0.42 0.78 -0.75 1.57 4.20 -1.07 -1.60 115.11 118.66 1xmd h GLN 594 Ca 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1xmd h GLN 594 Cb 0.11 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1xmd h GLN 594 CO -0.02 0.52 0.39 0.52 -0.67 0.00 0.00 178.83 179.57 1xmd h MET 595 N 0.81 1.05 -0.04 1.46 2.86 -0.55 -2.45 114.93 118.06 1xmd h MET 595 Ca 0.28 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1xmd h MET 595 Cb 0.06 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1xmd h MET 595 CO -0.12 0.78 -0.74 0.97 1.06 0.00 0.00 176.91 178.86 1xmd h ILE 596 N 1.05 1.44 -0.76 -1.22 2.10 -0.38 -1.15 117.51 118.58 1xmd h ILE 596 Ca 0.26 -2.29 -0.04 0.00 1.08 0.00 0.00 64.86 63.87 1xmd h ILE 596 Cb 0.06 2.22 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 1xmd h ILE 596 CO -0.04 0.67 0.30 -0.26 -1.08 0.00 0.00 178.15 177.75 1xmd h PHE 597 N 0.15 1.15 -0.25 2.19 0.05 -1.03 0.26 116.94 119.46 1xmd h PHE 597 Ca -0.03 -0.08 -0.10 0.00 3.82 0.00 0.00 57.97 61.58 1xmd h PHE 597 Cb 1.31 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 38.90 1xmd h PHE 597 CO 0.03 0.87 -0.27 0.45 -0.18 0.00 0.00 178.31 179.21 1xmd h HIS 598 N 1.11 0.55 -0.37 -0.55 3.86 -1.29 -2.67 115.15 115.78 1xmd h HIS 598 Ca 0.26 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1xmd h HIS 598 Cb 0.21 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1xmd h HIS 598 CO 0.02 0.72 0.13 0.00 0.86 0.00 0.00 177.93 179.65 1xmd h ALA 599 N 1.28 0.49 -0.62 2.45 0.00 0.18 -2.08 119.26 120.95 1xmd h ALA 599 Ca 0.06 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xmd h ALA 599 Cb 0.70 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1xmd h ALA 599 CO 0.05 0.12 0.29 0.74 0.00 0.00 0.00 179.25 180.45 1xmd h PHE 600 N 0.45 0.51 0.43 0.00 0.04 -0.31 -1.55 116.94 116.52 1xmd h PHE 600 Ca 0.12 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1xmd h PHE 600 Cb 0.24 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1xmd h PHE 600 CO 0.01 0.19 -0.38 1.25 -0.60 0.00 0.00 178.31 178.78 1xmd h HIS 601 N 0.52 -1.03 -0.96 -0.55 2.76 -1.15 -0.89 115.15 113.85 1xmd h HIS 601 Ca 0.30 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.62 1xmd h HIS 601 Cb 0.30 0.39 -0.08 0.00 1.55 0.00 0.00 27.41 29.57 1xmd h HIS 601 CO -0.13 -0.51 0.61 -0.44 -1.30 0.00 0.00 177.93 176.16 1xmd h ASP 602 N -0.79 0.77 -0.61 3.26 3.32 -1.23 0.84 116.42 121.99 1xmd h ASP 602 Ca -0.05 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1xmd h ASP 602 Cb 0.67 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1xmd h ASP 602 CO -0.02 0.37 0.04 0.24 -1.72 0.00 0.00 179.24 178.15 1xmd h MET 603 N 0.80 1.04 0.24 3.56 2.86 -1.08 0.83 114.93 123.18 1xmd h MET 603 Ca 0.49 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1xmd h MET 603 Cb 0.70 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1xmd h MET 603 CO -0.26 1.00 -0.11 0.82 1.06 0.00 0.00 176.91 179.42 1xmd h ILE 604 N 0.95 0.83 -0.95 -1.22 1.08 0.30 -3.11 117.51 115.38 1xmd h ILE 604 Ca 0.18 -0.55 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1xmd h ILE 604 Cb 0.50 1.14 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 1xmd h ILE 604 CO 0.02 0.12 0.61 -0.61 -0.69 0.00 0.00 178.15 177.60 1xmd h GLN 605 N -0.61 1.08 0.00 2.37 4.15 -0.84 -0.11 115.11 121.14 1xmd h GLN 605 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1xmd h GLN 605 Cb 0.44 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1xmd h GLN 605 CO 0.05 0.71 0.01 1.25 -1.93 0.00 0.00 178.83 178.93 1xmd h LEU 606 N 1.11 0.00 0.04 -2.39 5.85 -0.77 0.51 115.31 119.67 1xmd h LEU 606 Ca 0.41 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.75 1xmd h LEU 606 Cb 0.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1xmd h LEU 606 CO -0.17 0.00 -2.31 0.23 -0.34 0.00 0.00 178.44 175.85 1xmd n MET 607 N -2.51 0.69 0.00 1.25 2.81 -0.12 -3.44 117.12 115.79 1xmd n MET 607 Ca -0.02 0.18 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1xmd n MET 607 Cb 0.05 -1.59 -0.09 0.00 -0.71 0.00 0.00 33.22 30.89 1xmd n MET 607 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1xmd h ASN 608 N 0.02 -0.08 -0.72 7.83 2.35 -0.65 -3.22 115.58 121.12 1xmd h ASN 608 Ca -0.52 -0.53 0.06 0.00 -0.55 0.00 0.00 56.30 54.76 1xmd h ASN 608 Cb 1.96 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 40.31 1xmd h ASN 608 CO -0.02 0.55 0.47 0.74 -1.65 0.00 0.00 177.43 177.52 1xmd h THR 609 N -0.80 1.04 -1.13 2.81 2.02 -0.23 -1.90 112.91 114.71 1xmd h THR 609 Ca -0.01 -0.26 -0.53 0.00 0.77 0.00 0.00 66.41 66.38 1xmd h THR 609 Cb 0.61 0.20 -0.19 0.00 -1.74 0.00 0.00 68.15 67.03 1xmd h THR 609 CO 0.02 0.14 0.52 0.00 0.37 0.00 0.00 175.52 176.56 1xmd n ALA 610 N -2.45 6.31 -0.10 6.16 0.00 -1.22 -4.42 120.51 124.80 1xmd n ALA 610 Ca 0.10 -3.07 -0.19 0.00 0.00 0.00 0.00 53.44 50.28 1xmd n ALA 610 Cb 0.21 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.53 1xmd n ALA 610 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xmd h HIS 611 N 2.78 0.00 0.00 0.00 2.76 -1.35 -3.46 115.15 115.88 1xmd h HIS 611 Ca 0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1xmd h HIS 611 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1xmd h HIS 611 CO 1.34 1.30 0.00 -0.11 -1.30 0.00 0.00 177.93 179.17