#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nal n GLU 2 N 0.00 -0.61 -0.37 2.12 4.71 -1.26 -3.94 120.64 121.28 3nal n GLU 2 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 57.16 56.73 3nal n GLU 2 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 31.44 30.12 3nal n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3nal n ALA 3 N -3.24 0.00 -0.25 0.62 0.00 -1.26 -4.72 120.51 111.66 3nal n ALA 3 Ca -0.05 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.72 3nal n ALA 3 Cb 0.12 -0.73 0.67 0.00 0.00 0.00 0.00 19.45 19.50 3nal n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nal h ALA 4 N 0.00 2.95 0.00 0.00 0.00 -1.95 0.15 119.26 120.41 3nal h ALA 4 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3nal h ALA 4 Cb 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3nal h ALA 4 CO 0.00 -1.51 -0.40 1.12 0.00 0.00 0.00 179.25 178.46 3nal h HIS 5 N 0.00 0.00 -0.00 0.00 2.07 -1.91 -2.86 115.15 112.44 3nal h HIS 5 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 3nal h HIS 5 Cb 2.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.41 3nal h HIS 5 CO 0.00 0.40 -0.52 -1.13 -3.07 0.00 0.00 177.93 173.61 3nal n SER 6 N -3.73 0.82 -4.94 3.10 3.41 0.52 -0.03 113.62 112.77 3nal n SER 6 Ca -0.01 -0.62 -0.24 0.00 -0.26 0.00 0.00 58.87 57.73 3nal n SER 6 Cb 0.48 0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 3nal n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3nal s LYS 7 N -2.84 3.08 0.51 4.33 -0.14 -1.08 -4.62 119.74 118.97 3nal s LYS 7 Ca 0.14 -0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 54.43 3nal s LYS 7 Cb 0.18 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 3nal s LYS 7 CO 0.68 -0.38 0.80 -1.54 -0.76 0.00 0.00 175.35 174.15 3nal s SER 8 N -4.23 5.97 0.23 2.83 1.04 -1.26 -4.43 113.70 113.85 3nal s SER 8 Ca 0.50 0.75 -0.07 0.00 0.48 0.00 0.00 55.95 57.61 3nal s SER 8 Cb -0.10 -1.95 0.38 0.00 0.10 0.00 0.00 66.02 64.45 3nal s SER 8 CO 0.41 -0.75 1.73 0.74 0.98 0.00 0.00 173.24 176.34 3nal h THR 9 N 0.13 0.68 0.10 2.02 2.02 -1.91 -1.43 112.91 114.52 3nal h THR 9 Ca -0.46 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3nal h THR 9 Cb 1.23 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3nal h THR 9 CO 0.61 0.07 -0.05 -0.33 0.37 0.00 0.00 175.52 176.19 3nal h GLU 10 N 0.40 -0.14 -0.96 6.66 3.07 -1.99 -2.58 114.58 119.05 3nal h GLU 10 Ca 0.37 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.43 3nal h GLU 10 Cb 0.53 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.39 3nal h GLU 10 CO -0.38 0.14 0.61 0.93 -1.40 0.00 0.00 179.01 178.91 3nal h GLU 11 N -0.41 0.59 -0.05 2.33 5.08 -1.81 0.31 114.58 120.62 3nal h GLU 11 Ca -0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3nal h GLU 11 Cb 0.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3nal h GLU 11 CO 0.02 0.39 -0.53 0.00 -1.00 0.00 0.00 179.01 177.89 3nal h LEU 13 N 0.11 0.56 0.72 0.00 3.38 -0.52 -3.10 115.31 116.46 3nal h LEU 13 Ca 0.00 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3nal h LEU 13 Cb 0.98 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3nal h LEU 13 CO 0.08 1.25 -0.35 0.00 0.09 0.00 0.00 178.44 179.51 3nal h ALA 14 N 0.71 -0.97 -0.98 1.53 0.00 -0.23 0.29 119.26 119.61 3nal h ALA 14 Ca -0.08 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.74 3nal h ALA 14 Cb 1.59 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.61 3nal h ALA 14 CO 0.17 -0.92 -0.44 0.98 0.00 0.00 0.00 179.25 179.03 3nal n TYR 15 N -5.43 -0.11 0.43 0.00 9.36 0.10 0.40 117.16 121.92 3nal n TYR 15 Ca -0.13 1.22 0.13 0.00 3.32 0.00 0.00 57.90 62.44 3nal n TYR 15 Cb 0.39 -0.78 0.29 0.00 -0.63 0.00 0.00 39.34 38.61 3nal n TYR 15 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3nal h PHE 16 N 0.00 0.00 -4.98 2.98 0.04 -1.57 -3.48 116.94 109.93 3nal h PHE 16 Ca 0.29 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.88 3nal h PHE 16 Cb 0.53 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.82 3nal h PHE 16 CO -0.91 0.00 -0.59 0.41 -0.60 0.00 0.00 178.31 176.62 3nal n GLY 17 N 1.21 -0.82 3.06 -1.45 0.00 0.16 -5.05 105.19 102.30 3nal n GLY 17 Ca 0.05 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 3nal n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nal s VAL 18 N -3.27 0.44 -0.24 1.61 0.11 -0.63 -5.02 120.40 113.40 3nal s VAL 18 Ca 0.32 -1.17 -0.13 0.00 -2.93 0.00 0.00 61.98 58.07 3nal s VAL 18 Cb -0.04 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3nal s VAL 18 CO 0.60 -0.50 0.26 -0.94 -3.33 0.00 0.00 175.10 171.19 3nal s SER 19 N -1.79 6.21 0.60 3.54 1.04 -1.26 -4.72 113.70 117.32 3nal s SER 19 Ca -0.08 0.24 0.29 0.00 0.48 0.00 0.00 55.95 56.87 3nal s SER 19 Cb -0.07 -2.15 1.57 0.00 0.10 0.00 0.00 66.02 65.46 3nal s SER 19 CO -0.01 -0.02 1.98 -0.08 0.98 0.00 0.00 173.24 176.10 3nal h GLU 20 N 7.63 0.00 0.08 4.02 4.81 -1.97 0.19 114.58 129.34 3nal h GLU 20 Ca -0.36 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.54 3nal h GLU 20 Cb 1.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3nal h GLU 20 CO 0.66 0.00 -1.80 1.79 -0.73 0.00 0.00 179.01 178.93 3nal h THR 21 N 0.00 0.81 0.03 0.32 1.35 -1.98 -3.41 112.91 110.02 3nal h THR 21 Ca 0.14 -2.56 -0.35 0.00 -0.55 0.00 0.00 66.41 63.09 3nal h THR 21 Cb 0.85 2.52 -0.05 0.00 -1.73 0.00 0.00 68.15 69.75 3nal h THR 21 CO -0.00 0.73 -1.96 0.41 -0.25 0.00 0.00 175.52 174.45 3nal n THR 22 N -3.32 1.58 0.00 6.82 -1.04 -0.70 -5.02 114.28 112.60 3nal n THR 22 Ca -0.23 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 3nal n THR 22 Cb 1.05 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 3nal n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3nal n GLY 23 N 1.61 0.31 3.39 3.41 0.00 0.59 -2.64 105.19 111.86 3nal n GLY 23 Ca -0.41 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3nal n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nal n LEU 24 N -0.73 -0.53 -4.98 0.99 4.77 -1.25 -3.16 117.00 112.10 3nal n LEU 24 Ca 0.00 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.37 3nal n LEU 24 Cb 0.00 -1.11 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 3nal n LEU 24 CO 0.00 -3.64 0.25 0.42 -1.33 0.00 0.00 177.39 173.08 3nal s THR 25 N -1.91 3.13 0.44 -5.08 -4.23 -1.26 -0.82 115.64 105.92 3nal s THR 25 Ca 0.62 -0.79 0.13 0.00 -1.18 0.00 0.00 61.69 60.47 3nal s THR 25 Cb -0.37 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.55 3nal s THR 25 CO 0.61 -0.07 2.01 1.55 -0.54 0.00 0.00 174.62 178.18 3nal h PRO 26 N 0.40 0.10 0.00 3.99 0.14 -1.97 0.35 132.00 135.00 3nal h PRO 26 Ca -0.42 -0.02 -0.09 0.00 0.14 0.00 0.00 66.00 65.61 3nal h PRO 26 Cb 1.28 -0.02 -0.01 0.00 0.14 0.00 0.00 31.00 32.39 3nal h PRO 26 CO 0.51 0.21 -0.43 0.22 0.14 0.00 0.00 178.00 178.64 3nal h ASP 27 N 0.10 0.00 0.44 1.44 3.58 -1.99 -1.49 116.42 118.49 3nal h ASP 27 Ca 0.02 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.16 3nal h ASP 27 Cb 0.24 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.31 3nal h ASP 27 CO 0.01 0.43 -1.38 1.56 -2.88 0.00 0.00 179.24 176.98 3nal h GLN 28 N 0.00 0.40 0.72 0.28 4.20 -1.48 -3.07 115.11 116.17 3nal h GLN 28 Ca -0.00 -0.69 -0.04 0.00 0.06 0.00 0.00 58.65 57.98 3nal h GLN 28 Cb 0.99 0.26 0.01 0.00 0.30 0.00 0.00 27.48 29.04 3nal h GLN 28 CO 0.06 1.33 -0.35 0.28 -0.67 0.00 0.00 178.83 179.47 3nal h VAL 29 N 0.11 0.00 -0.01 -0.54 2.07 -0.17 -0.61 116.25 117.10 3nal h VAL 29 Ca -0.20 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3nal h VAL 29 Cb 2.08 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3nal h VAL 29 CO 0.24 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.34 3nal h LYS 30 N -0.99 0.00 0.01 1.57 3.64 -1.44 -0.35 116.57 119.02 3nal h LYS 30 Ca -0.10 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 3nal h LYS 30 Cb 0.75 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3nal h LYS 30 CO 0.16 0.00 -0.61 -0.09 -2.27 0.00 0.00 179.45 176.65 3nal h ARG 31 N 0.00 0.40 -0.30 1.90 2.43 -1.43 -3.02 114.38 114.36 3nal h ARG 31 Ca 0.00 -0.44 -0.08 0.00 -0.81 0.00 0.00 59.98 58.66 3nal h ARG 31 Cb 0.02 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3nal h ARG 31 CO -0.00 1.11 -0.15 0.45 -1.51 0.00 0.00 179.97 179.86 3nal h HIS 32 N -0.13 0.57 0.00 2.20 3.86 -0.53 -2.65 115.15 118.46 3nal h HIS 32 Ca -0.08 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 3nal h HIS 32 Cb 1.33 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 3nal h HIS 32 CO 0.15 0.66 -0.31 1.25 0.86 0.00 0.00 177.93 180.54 3nal h LEU 33 N 0.48 0.00 -0.53 2.43 5.85 -1.13 0.26 115.31 122.68 3nal h LEU 33 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3nal h LEU 33 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3nal h LEU 33 CO 0.03 0.31 -0.07 1.21 -0.34 0.00 0.00 178.44 179.58 3nal n GLU 34 N -3.87 1.15 -0.05 1.25 4.07 -1.01 -0.95 120.64 121.23 3nal n GLU 34 Ca -0.02 -0.53 -0.05 0.00 -0.06 0.00 0.00 57.16 56.50 3nal n GLU 34 Cb 0.39 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.21 3nal n GLU 34 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3nal n LYS 35 N -0.46 1.77 0.00 5.31 4.81 -0.79 -4.71 118.16 124.09 3nal n LYS 35 Ca 0.17 0.02 0.05 0.00 -0.87 0.00 0.00 58.31 57.69 3nal n LYS 35 Cb 0.29 -1.22 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 3nal n LYS 35 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3nal n TYR 36 N -2.50 0.00 -3.86 5.64 4.01 0.86 -5.10 117.16 116.21 3nal n TYR 36 Ca -0.16 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.60 3nal n TYR 36 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.78 3nal n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nal n GLY 37 N 1.23 -1.59 3.86 2.72 0.00 -0.13 -4.85 105.19 106.43 3nal n GLY 37 Ca 0.02 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3nal n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3nal s HIS 38 N -0.29 3.56 -1.10 1.61 3.76 -1.26 -4.74 115.29 116.83 3nal s HIS 38 Ca 0.00 1.30 -0.17 0.00 -0.15 0.00 0.00 55.06 56.04 3nal s HIS 38 Cb 0.00 -2.70 0.13 0.00 1.11 0.00 0.00 32.58 31.11 3nal s HIS 38 CO 0.00 -0.54 1.37 1.21 -0.85 0.00 0.00 174.74 175.94 3nal s ASN 39 N -3.79 6.80 -0.19 1.40 2.47 -0.27 -4.31 114.94 117.05 3nal s ASN 39 Ca 0.55 -2.37 -0.31 0.00 0.42 0.00 0.00 52.86 51.15 3nal s ASN 39 Cb -0.11 -2.45 0.15 0.00 -1.45 0.00 0.00 41.25 37.39 3nal s ASN 39 CO 0.45 -1.02 1.15 -1.83 -3.72 0.00 0.00 177.10 172.13 3nal s GLU 40 N 2.82 0.38 0.35 0.43 -1.05 -1.26 -3.78 118.70 116.59 3nal s GLU 40 Ca 0.41 -0.01 -0.22 0.00 -0.15 0.00 0.00 54.97 55.01 3nal s GLU 40 Cb -0.02 0.18 -0.10 0.00 -0.44 0.00 0.00 34.13 33.75 3nal s GLU 40 CO -0.04 -0.14 0.88 -0.51 0.95 0.00 0.00 175.26 176.41 3nal s LEU 41 N -1.54 4.15 0.93 1.83 1.43 -1.26 -4.33 118.68 119.89 3nal s LEU 41 Ca 0.05 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 3nal s LEU 41 Cb -0.01 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 3nal s LEU 41 CO -0.04 -0.18 0.20 -2.65 0.23 0.00 0.00 176.35 173.90 3nal n PRO 42 N -0.01 -0.17 0.00 1.29 -0.02 -1.26 -5.00 135.00 129.83 3nal n PRO 42 Ca 0.03 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3nal n PRO 42 Cb 0.52 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3nal n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nal n ALA 43 N -3.24 0.00 -2.28 3.55 0.00 -1.26 -5.05 120.51 112.22 3nal n ALA 43 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3nal n ALA 43 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3nal n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3nal s GLU 44 N 0.00 2.71 -0.15 0.00 8.01 -1.26 -5.06 118.70 122.95 3nal s GLU 44 Ca 0.00 -1.36 -0.29 0.00 0.01 0.00 0.00 54.97 53.33 3nal s GLU 44 Cb 0.00 -2.53 -0.02 0.00 -4.31 0.00 0.00 34.13 27.27 3nal s GLU 44 CO 0.00 -0.11 1.33 -1.83 0.01 0.00 0.00 175.26 174.67 3nal s GLU 45 N -4.14 4.21 -0.55 1.61 -1.05 -1.26 -4.95 118.70 112.57 3nal s GLU 45 Ca 0.47 1.74 -0.28 0.00 -0.15 0.00 0.00 54.97 56.75 3nal s GLU 45 Cb -0.06 -3.81 0.03 0.00 -0.44 0.00 0.00 34.13 29.85 3nal s GLU 45 CO 0.29 -0.75 1.20 0.20 0.95 0.00 0.00 175.26 177.15 3nal s GLY 46 N 2.24 1.16 -0.02 -3.83 0.00 -1.26 -4.98 107.32 100.63 3nal s GLY 46 Ca 0.58 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.61 3nal s GLY 46 CO 0.17 2.51 -0.07 0.54 0.00 0.00 0.00 173.10 176.26 3nal s LYS 47 N 4.87 0.74 0.33 2.90 1.02 -1.26 -5.08 119.74 123.26 3nal s LYS 47 Ca 0.45 -0.22 0.06 0.00 0.02 0.00 0.00 55.97 56.28 3nal s LYS 47 Cb -0.08 -0.72 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 3nal s LYS 47 CO 0.27 0.08 0.00 -1.54 -0.92 0.00 0.00 175.35 173.24 3nal s SER 48 N 0.23 2.95 0.17 2.83 1.04 -1.26 -4.85 113.70 114.81 3nal s SER 48 Ca -0.03 -1.31 -0.25 0.00 0.48 0.00 0.00 55.95 54.84 3nal s SER 48 Cb -0.08 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.89 3nal s SER 48 CO 0.00 -0.47 1.57 -0.07 0.98 0.00 0.00 173.24 175.25 3nal h LEU 49 N 2.07 -1.48 -0.61 2.42 3.38 -2.02 5.78 115.31 124.85 3nal h LEU 49 Ca -0.41 0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.89 3nal h LEU 49 Cb 1.24 0.68 -0.11 0.00 0.09 0.00 0.00 40.66 42.56 3nal h LEU 49 CO 0.72 -0.33 -0.48 -0.25 0.09 0.00 0.00 178.44 178.19 3nal h TRP 50 N -0.21 -1.44 0.11 1.13 2.91 -1.97 2.05 115.95 118.53 3nal h TRP 50 Ca 0.19 0.09 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 3nal h TRP 50 Cb 0.56 0.71 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 3nal h TRP 50 CO -0.72 -0.43 -0.05 0.93 -1.03 0.00 0.00 178.44 177.14 3nal h GLU 51 N -0.23 -0.14 0.20 2.65 5.08 -0.96 -1.65 114.58 119.53 3nal h GLU 51 Ca 0.16 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3nal h GLU 51 Cb 0.55 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3nal h GLU 51 CO -0.71 0.16 -0.30 1.25 -1.00 0.00 0.00 179.01 178.41 3nal h LEU 52 N -0.45 -0.83 -1.15 1.33 5.85 1.26 -2.58 115.31 118.74 3nal h LEU 52 Ca -0.02 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3nal h LEU 52 Cb 0.37 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 3nal h LEU 52 CO 0.02 -0.40 0.58 0.58 -0.34 0.00 0.00 178.44 178.89 3nal h VAL 53 N -0.56 1.08 0.00 1.05 2.07 0.32 -3.15 116.25 117.06 3nal h VAL 53 Ca 0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3nal h VAL 53 Cb 0.56 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3nal h VAL 53 CO -0.12 0.19 0.00 -0.38 0.02 0.00 0.00 177.57 177.28 3nal n ILE 54 N -4.48 0.00 -0.22 4.57 2.08 -0.62 -1.69 119.36 119.01 3nal n ILE 54 Ca 0.13 1.39 0.14 0.00 0.56 0.00 0.00 62.75 64.97 3nal n ILE 54 Cb 0.18 -2.08 0.27 0.00 -0.75 0.00 0.00 39.64 37.26 3nal n ILE 54 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3nal n GLU 55 N -2.19 -0.05 0.00 0.38 1.02 -1.18 0.33 120.64 118.95 3nal n GLU 55 Ca 0.00 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 3nal n GLU 55 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3nal n GLU 55 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3nal n GLN 56 N -4.68 0.00 -0.69 3.49 1.13 -0.68 0.66 117.38 116.61 3nal n GLN 56 Ca 0.19 0.30 0.05 0.00 -1.94 0.00 0.00 57.00 55.60 3nal n GLN 56 Cb 0.64 -1.61 0.08 0.00 0.11 0.00 0.00 30.24 29.45 3nal n GLN 56 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3nal n PHE 57 N -1.28 0.00 -0.05 1.08 3.01 1.00 -4.77 117.46 116.44 3nal n PHE 57 Ca 0.00 -0.67 -0.16 0.00 1.01 0.00 0.00 57.45 57.64 3nal n PHE 57 Cb 0.11 -0.14 -0.14 0.00 -0.01 0.00 0.00 39.48 39.30 3nal n PHE 57 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3nal n GLU 58 N -0.42 0.69 -1.61 -1.08 -0.58 0.21 -4.52 120.64 113.33 3nal n GLU 58 Ca 0.09 0.19 -0.48 0.00 -0.42 0.00 0.00 57.16 56.54 3nal n GLU 58 Cb 0.80 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.99 3nal n GLU 58 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3nal n ASP 59 N -3.20 1.83 -0.16 1.62 -0.08 -1.25 -4.76 116.55 110.55 3nal n ASP 59 Ca -0.32 1.14 -0.02 0.00 -1.51 0.00 0.00 54.79 54.07 3nal n ASP 59 Cb 1.05 -1.28 0.07 0.00 2.34 0.00 0.00 41.12 43.31 3nal n ASP 59 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3nal h LEU 60 N 3.87 0.05 -0.02 -2.67 5.85 -1.95 0.38 115.31 120.82 3nal h LEU 60 Ca -0.44 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3nal h LEU 60 Cb 1.32 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3nal h LEU 60 CO 0.73 0.05 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.61 3nal h LEU 61 N 0.27 -0.62 -0.80 2.25 3.38 -1.89 0.12 115.31 118.01 3nal h LEU 61 Ca 0.26 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.40 3nal h LEU 61 Cb 0.33 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3nal h LEU 61 CO -0.31 -0.27 0.46 0.58 0.09 0.00 0.00 178.44 178.99 3nal h VAL 62 N -0.32 0.93 0.30 1.22 2.07 -1.78 -0.78 116.25 117.89 3nal h VAL 62 Ca 0.07 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3nal h VAL 62 Cb 0.41 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3nal h VAL 62 CO -0.21 0.15 -0.20 0.03 0.02 0.00 0.00 177.57 177.36 3nal h ARG 63 N 0.80 -0.48 -0.83 1.57 3.08 -0.12 0.10 114.38 118.50 3nal h ARG 63 Ca 0.38 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.63 3nal h ARG 63 Cb 0.31 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 3nal h ARG 63 CO -0.23 -0.32 0.37 0.82 -1.07 0.00 0.00 179.97 179.55 3nal h ILE 64 N -0.50 0.62 -0.11 2.04 2.04 -0.00 -0.99 117.51 120.61 3nal h ILE 64 Ca -0.03 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3nal h ILE 64 Cb 0.42 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3nal h ILE 64 CO 0.02 0.09 -0.02 -0.07 0.00 0.00 0.00 178.15 178.17 3nal h LEU 65 N 0.49 0.21 -0.77 1.44 3.38 -0.63 -1.92 115.31 117.51 3nal h LEU 65 Ca 0.48 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 58.24 3nal h LEU 65 Cb 0.77 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 3nal h LEU 65 CO -0.43 0.52 0.29 0.25 0.09 0.00 0.00 178.44 179.16 3nal h LEU 66 N -0.11 0.25 0.53 1.67 5.85 0.07 0.50 115.31 124.08 3nal h LEU 66 Ca 0.03 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3nal h LEU 66 Cb 0.42 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3nal h LEU 66 CO 0.01 0.07 -0.29 0.25 -0.34 0.00 0.00 178.44 178.14 3nal h LEU 67 N 0.41 -0.71 -0.72 2.25 5.85 -1.09 -2.52 115.31 118.78 3nal h LEU 67 Ca 0.43 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.29 3nal h LEU 67 Cb 0.69 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 3nal h LEU 67 CO -0.43 -0.47 0.34 0.00 -0.34 0.00 0.00 178.44 177.54 3nal h ALA 68 N -0.32 1.00 -0.83 1.25 0.00 -0.39 0.10 119.26 120.08 3nal h ALA 68 Ca -0.07 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3nal h ALA 68 Cb 0.61 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3nal h ALA 68 CO 0.09 -0.09 0.54 0.00 0.00 0.00 0.00 179.25 179.80 3nal h ALA 69 N 1.46 1.95 0.32 0.00 0.00 0.14 0.24 119.26 123.37 3nal h ALA 69 Ca 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3nal h ALA 69 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3nal h ALA 69 CO -0.30 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 178.62 3nal h ILE 71 N -0.70 0.13 0.02 0.00 2.04 -0.97 0.69 117.51 118.72 3nal h ILE 71 Ca -0.04 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3nal h ILE 71 Cb 0.33 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3nal h ILE 71 CO 0.07 0.01 -0.24 -1.28 0.00 0.00 0.00 178.15 176.71 3nal h SER 72 N 0.04 -0.71 -0.76 1.72 0.87 -0.50 -1.16 113.55 113.06 3nal h SER 72 Ca 0.52 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 61.27 3nal h SER 72 Cb 0.99 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 63.16 3nal h SER 72 CO -0.85 -0.31 0.40 0.15 -0.53 0.00 0.00 176.83 175.69 3nal h PHE 73 N -0.39 0.71 0.96 2.24 3.57 0.31 0.60 116.94 124.95 3nal h PHE 73 Ca 0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3nal h PHE 73 Cb 0.46 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.00 3nal h PHE 73 CO -0.27 0.26 -0.46 0.28 -2.23 0.00 0.00 178.31 175.89 3nal h VAL 74 N 0.66 0.00 -0.31 1.41 2.07 -0.08 -2.49 116.25 117.51 3nal h VAL 74 Ca 0.38 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.91 3nal h VAL 74 Cb 0.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3nal h VAL 74 CO -0.27 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.27 3nal h LEU 75 N -1.33 -0.06 -1.99 2.57 3.38 -0.97 -1.94 115.31 114.96 3nal h LEU 75 Ca -0.13 0.06 0.33 0.00 0.09 0.00 0.00 57.88 58.23 3nal h LEU 75 Cb 0.99 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3nal h LEU 75 CO 0.22 0.00 0.83 0.00 0.09 0.00 0.00 178.44 179.57 3nal h ALA 76 N 1.25 3.08 -1.41 1.53 0.00 0.24 0.21 119.26 124.16 3nal h ALA 76 Ca 0.15 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.43 3nal h ALA 76 Cb 0.18 0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.64 3nal h ALA 76 CO -0.22 -1.41 -0.67 1.87 0.00 0.00 0.00 179.25 178.81 3nal n TRP 77 N -4.18 3.33 -2.37 0.00 -0.00 -0.75 -4.36 117.44 109.12 3nal n TRP 77 Ca 0.24 -2.99 -0.04 0.00 -0.00 0.00 0.00 57.50 54.71 3nal n TRP 77 Cb 1.21 -0.15 0.04 0.00 -0.00 0.00 0.00 31.31 32.40 3nal n TRP 77 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3nal n PHE 78 N -0.51 -1.06 -3.89 5.87 7.35 0.75 -4.95 117.46 121.01 3nal n PHE 78 Ca 0.40 -1.16 0.00 0.00 -0.76 0.00 0.00 57.45 55.93 3nal n PHE 78 Cb 0.68 1.03 0.00 0.00 0.35 0.00 0.00 39.48 41.55 3nal n PHE 78 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 3nal n GLU 79 N -0.81 0.28 -0.47 -4.13 0.28 -1.24 -4.94 120.64 109.60 3nal n GLU 79 Ca -0.22 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.63 3nal n GLU 79 Cb 0.80 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.67 3nal n GLU 79 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3nal n GLU 80 N 0.00 0.00 -0.17 3.44 -0.58 -1.26 -4.79 120.64 117.27 3nal n GLU 80 Ca 0.00 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 3nal n GLU 80 Cb 0.00 -0.36 0.51 0.00 -0.57 0.00 0.00 31.44 31.01 3nal n GLU 80 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3nal h GLY 81 N 0.12 0.72 -0.62 0.62 0.00 -2.02 -3.34 103.07 98.56 3nal h GLY 81 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3nal h GLY 81 CO 0.17 0.05 0.00 -2.21 0.00 0.00 0.00 176.54 174.55 3nal n GLU 82 N -4.48 0.00 -0.20 4.80 4.07 -1.26 -4.90 120.64 118.67 3nal n GLU 82 Ca 0.15 0.00 0.30 0.00 -0.06 0.00 0.00 57.16 57.55 3nal n GLU 82 Cb 0.55 0.00 0.67 0.00 -0.06 0.00 0.00 31.44 32.60 3nal n GLU 82 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3nal h GLU 83 N 0.00 0.00 0.00 5.31 4.57 -1.94 -3.30 114.58 119.22 3nal h GLU 83 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3nal h GLU 83 Cb 0.79 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.25 3nal h GLU 83 CO 0.00 0.00 -0.08 0.25 -1.18 0.00 0.00 179.01 178.00 3nal n THR 84 N -3.75 0.00 -0.36 0.32 -2.24 -1.26 -5.04 114.28 101.95 3nal n THR 84 Ca 0.21 -0.73 0.30 0.00 -2.27 0.00 0.00 64.05 61.56 3nal n THR 84 Cb 1.21 1.11 0.49 0.00 -2.10 0.00 0.00 70.33 71.04 3nal n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nal n ILE 85 N 1.53 -0.13 0.00 2.28 0.13 -1.25 -0.68 119.36 121.24 3nal n ILE 85 Ca 0.02 1.18 0.00 0.00 -1.10 0.00 0.00 62.75 62.85 3nal n ILE 85 Cb 0.70 -1.94 0.00 0.00 -0.84 0.00 0.00 39.64 37.56 3nal n ILE 85 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3nal n THR 86 N -3.86 0.00 0.30 9.51 -2.24 -1.26 -2.66 114.28 114.07 3nal n THR 86 Ca 0.28 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.24 3nal n THR 86 Cb 1.15 -0.56 0.94 0.00 -2.10 0.00 0.00 70.33 69.75 3nal n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nal h ALA 87 N 0.68 1.14 0.00 6.98 0.00 -1.16 -2.52 119.26 124.38 3nal h ALA 87 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nal h ALA 87 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3nal h ALA 87 CO 0.00 0.04 -0.90 1.19 0.00 0.00 0.00 179.25 179.59 3nal n PHE 88 N -3.33 0.59 0.27 0.00 3.72 -1.09 -4.07 117.46 113.55 3nal n PHE 88 Ca -0.02 0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.65 3nal n PHE 88 Cb 0.17 -0.69 0.48 0.00 -0.94 0.00 0.00 39.48 38.49 3nal n PHE 88 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3nal n VAL 89 N -2.26 1.04 -0.01 -4.37 0.24 -0.95 -2.05 118.33 109.96 3nal n VAL 89 Ca 0.02 0.47 -0.01 0.00 -2.04 0.00 0.00 64.34 62.78 3nal n VAL 89 Cb 0.48 -1.43 -0.00 0.00 -1.47 0.00 0.00 33.84 31.42 3nal n VAL 89 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3nal h GLU 90 N 0.00 -0.05 -0.46 7.34 4.81 -1.74 -3.12 114.58 121.35 3nal h GLU 90 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3nal h GLU 90 Cb 0.17 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3nal h GLU 90 CO 0.00 -0.03 0.26 -1.00 -0.73 0.00 0.00 179.01 177.51 3nal h PRO 91 N -0.74 0.63 -0.34 0.92 0.13 -1.79 -2.88 132.00 127.93 3nal h PRO 91 Ca -0.01 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3nal h PRO 91 Cb 0.04 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 3nal h PRO 91 CO 0.01 0.45 0.22 0.35 -0.23 0.00 0.00 178.00 178.81 3nal h PHE 92 N 0.64 0.42 -0.33 1.56 3.57 -1.57 -1.69 116.94 119.55 3nal h PHE 92 Ca 0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3nal h PHE 92 Cb 0.00 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3nal h PHE 92 CO 0.00 0.26 0.19 0.28 -2.23 0.00 0.00 178.31 176.82 3nal h VAL 93 N 0.46 1.12 -0.32 1.41 2.07 -1.44 -0.36 116.25 119.18 3nal h VAL 93 Ca 0.13 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3nal h VAL 93 Cb -0.04 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3nal h VAL 93 CO -0.03 0.12 0.01 0.40 0.02 0.00 0.00 177.57 178.09 3nal h ILE 94 N 0.42 0.77 -0.47 4.57 2.04 -1.37 -1.08 117.51 122.38 3nal h ILE 94 Ca 0.12 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.98 3nal h ILE 94 Cb 0.03 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3nal h ILE 94 CO -0.02 0.02 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 3nal h LEU 95 N 0.10 0.35 -1.23 1.44 3.38 -0.97 -0.56 115.31 117.83 3nal h LEU 95 Ca 0.16 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.26 3nal h LEU 95 Cb 0.21 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3nal h LEU 95 CO -0.26 0.25 0.57 -0.07 0.09 0.00 0.00 178.44 179.02 3nal h LEU 96 N 0.48 0.76 0.35 1.67 3.38 -0.29 0.62 115.31 122.27 3nal h LEU 96 Ca 0.21 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3nal h LEU 96 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3nal h LEU 96 CO -0.14 0.43 -0.20 0.40 0.09 0.00 0.00 178.44 179.02 3nal h ILE 97 N 0.83 0.00 -0.41 1.22 1.08 0.11 0.69 117.51 121.03 3nal h ILE 97 Ca 0.42 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.97 3nal h ILE 97 Cb 0.48 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.15 3nal h ILE 97 CO -0.18 0.00 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.04 3nal h LEU 98 N -0.50 -0.58 -0.37 1.44 3.38 -0.91 0.17 115.31 117.94 3nal h LEU 98 Ca -0.05 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3nal h LEU 98 Cb 0.40 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3nal h LEU 98 CO 0.06 -0.20 0.07 0.40 0.09 0.00 0.00 178.44 178.86 3nal h ILE 99 N -0.09 0.82 -0.62 1.22 1.08 0.36 -0.36 117.51 119.92 3nal h ILE 99 Ca 0.20 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3nal h ILE 99 Cb 0.39 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3nal h ILE 99 CO -0.47 0.04 0.30 0.00 -0.69 0.00 0.00 178.15 177.33 3nal h ALA 100 N 1.27 0.80 0.00 1.87 0.00 0.15 0.04 119.26 123.39 3nal h ALA 100 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3nal h ALA 100 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3nal h ALA 100 CO -0.23 0.36 -0.33 -2.95 0.00 0.00 0.00 179.25 176.10 3nal h ASN 101 N 0.85 0.00 -0.03 0.00 7.08 -0.13 -1.91 115.58 121.44 3nal h ASN 101 Ca 0.21 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.41 3nal h ASN 101 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 3nal h ASN 101 CO -0.03 0.33 -0.06 0.00 -2.08 0.00 0.00 177.43 175.59 3nal h ALA 102 N 1.67 0.05 -0.12 4.14 0.00 -0.49 -0.18 119.26 124.32 3nal h ALA 102 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3nal h ALA 102 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3nal h ALA 102 CO 0.04 -0.12 0.26 0.82 0.00 0.00 0.00 179.25 180.26 3nal h ILE 103 N -0.44 0.20 0.00 0.00 1.08 -0.70 0.33 117.51 117.98 3nal h ILE 103 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3nal h ILE 103 Cb 0.64 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 3nal h ILE 103 CO 0.01 0.00 -0.03 0.58 -0.69 0.00 0.00 178.15 178.03 3nal h VAL 104 N 0.00 0.65 -0.63 1.67 2.07 -0.92 -2.76 116.25 116.33 3nal h VAL 104 Ca 0.06 -1.49 0.12 0.00 0.82 0.00 0.00 66.70 66.21 3nal h VAL 104 Cb 0.59 1.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.47 3nal h VAL 104 CO -0.00 0.22 -0.20 1.23 0.02 0.00 0.00 177.57 178.84 3nal h GLY 105 N -1.00 0.35 0.75 2.17 0.00 0.45 0.29 103.07 106.09 3nal h GLY 105 Ca -0.00 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 3nal h GLY 105 CO -0.00 -0.24 -0.36 -0.24 0.00 0.00 0.00 176.54 175.69 3nal h VAL 106 N -0.04 0.00 -0.99 4.60 3.04 -1.13 -1.10 116.25 120.63 3nal h VAL 106 Ca 0.29 -0.00 0.20 0.00 -1.01 0.00 0.00 66.70 66.18 3nal h VAL 106 Cb 0.49 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.67 3nal h VAL 106 CO -0.67 0.00 0.62 -0.25 -1.01 0.00 0.00 177.57 176.26 3nal h TRP 107 N -1.01 0.95 0.17 3.17 7.01 -1.22 0.58 115.95 125.61 3nal h TRP 107 Ca -0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 3nal h TRP 107 Cb 0.78 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3nal h TRP 107 CO 0.06 0.21 -0.18 0.37 -2.79 0.00 0.00 178.44 176.11 3nal h GLN 108 N 0.68 -0.34 -0.94 2.65 4.15 -0.17 -2.86 115.11 118.28 3nal h GLN 108 Ca 0.56 0.02 0.04 0.00 0.77 0.00 0.00 58.65 60.05 3nal h GLN 108 Cb 0.99 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.70 3nal h GLN 108 CO -0.34 -0.23 0.62 1.49 -1.93 0.00 0.00 178.83 178.44 3nal h GLU 109 N -0.35 1.13 -0.41 1.69 4.81 -0.54 -2.27 114.58 118.64 3nal h GLU 109 Ca -0.02 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3nal h GLU 109 Cb 0.30 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3nal h GLU 109 CO -0.02 0.75 0.30 -0.09 -0.73 0.00 0.00 179.01 179.21 3nal h ARG 110 N 1.17 0.01 -0.47 1.92 2.43 -0.83 0.96 114.38 119.57 3nal h ARG 110 Ca 0.38 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3nal h ARG 110 Cb 0.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3nal h ARG 110 CO -0.12 0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.44 3nal n ASN 111 N -4.42 2.48 -3.61 -3.80 3.02 -0.85 -4.88 115.26 103.20 3nal n ASN 111 Ca 0.07 -2.06 -0.21 0.00 -0.03 0.00 0.00 54.58 52.35 3nal n ASN 111 Cb 0.49 -0.33 0.14 0.00 -0.61 0.00 0.00 39.78 39.47 3nal n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nal n ALA 112 N 0.73 -0.82 -3.66 5.41 0.00 0.33 -5.11 120.51 117.39 3nal n ALA 112 Ca 0.15 -1.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.11 3nal n ALA 112 Cb 0.41 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3nal n ALA 112 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3nal s GLU 113 N -5.04 0.58 0.07 0.00 -1.05 -1.26 -5.09 118.70 106.91 3nal s GLU 113 Ca 0.56 1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 56.14 3nal s GLU 113 Cb -0.02 0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 3nal s GLU 113 CO 0.39 -0.15 1.07 1.21 0.95 0.00 0.00 175.26 178.73 3nal s ASN 114 N 1.55 7.27 0.24 0.83 3.84 -1.26 -4.94 114.94 122.48 3nal s ASN 114 Ca -0.10 1.89 -0.01 0.00 0.21 0.00 0.00 52.86 54.85 3nal s ASN 114 Cb -0.06 -2.58 0.29 0.00 -0.55 0.00 0.00 41.25 38.34 3nal s ASN 114 CO -0.17 -0.29 1.66 0.00 -2.79 0.00 0.00 177.10 175.51 3nal h ALA 115 N 6.26 0.97 -0.35 1.71 0.00 -1.93 -2.30 119.26 123.62 3nal h ALA 115 Ca -0.42 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.03 3nal h ALA 115 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3nal h ALA 115 CO 0.76 0.60 -0.13 0.82 0.00 0.00 0.00 179.25 181.30 3nal h ILE 116 N 0.52 1.25 -0.40 0.00 2.04 -1.92 -2.31 117.51 116.68 3nal h ILE 116 Ca 0.07 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 3nal h ILE 116 Cb 0.74 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3nal h ILE 116 CO 0.06 0.37 -0.00 -0.33 0.00 0.00 0.00 178.15 178.25 3nal h GLU 117 N 0.56 0.64 0.00 2.37 4.39 -1.86 -1.91 114.58 118.77 3nal h GLU 117 Ca 0.10 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3nal h GLU 117 Cb 0.56 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3nal h GLU 117 CO 0.04 0.66 -0.06 0.00 -1.16 0.00 0.00 179.01 178.48 3nal h ALA 118 N 1.40 1.43 -0.65 3.43 0.00 -0.88 -2.27 119.26 121.73 3nal h ALA 118 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3nal h ALA 118 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3nal h ALA 118 CO 0.01 0.07 0.29 -0.07 0.00 0.00 0.00 179.25 179.56 3nal h LEU 119 N 0.00 0.84 0.00 0.00 3.38 -1.22 -2.65 115.31 115.66 3nal h LEU 119 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3nal h LEU 119 Cb 0.16 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3nal h LEU 119 CO 0.01 0.73 0.00 0.29 0.09 0.00 0.00 178.44 179.56 3nal n LYS 120 N -4.33 0.01 0.04 1.13 5.02 -0.86 -0.74 118.16 118.43 3nal n LYS 120 Ca 0.06 0.43 0.11 0.00 -2.02 0.00 0.00 58.31 56.89 3nal n LYS 120 Cb 0.15 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.11 3nal n LYS 120 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3nal n GLU 121 N -1.47 0.08 -0.39 1.97 0.28 -1.00 -2.69 120.64 117.43 3nal n GLU 121 Ca 0.01 0.20 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 3nal n GLU 121 Cb 0.03 -1.62 0.32 0.00 1.43 0.00 0.00 31.44 31.60 3nal n GLU 121 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3nal n TYR 122 N -1.77 1.01 -3.56 -1.84 4.01 0.08 -4.87 117.16 110.23 3nal n TYR 122 Ca 0.05 -0.51 -0.41 0.00 -0.16 0.00 0.00 57.90 56.87 3nal n TYR 122 Cb 0.28 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 39.17 3nal n TYR 122 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3nal s GLU 123 N -1.08 3.18 0.74 -0.72 2.02 -1.10 -4.01 118.70 117.73 3nal s GLU 123 Ca 0.49 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.49 3nal s GLU 123 Cb 0.26 -3.77 0.04 0.00 0.10 0.00 0.00 34.13 30.76 3nal s GLU 123 CO 0.32 -0.57 1.12 -1.25 0.02 0.00 0.00 175.26 174.91 3nal s PRO 124 N 1.65 2.31 -0.02 0.39 0.04 -1.26 -4.95 135.00 133.16 3nal s PRO 124 Ca 0.04 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 3nal s PRO 124 Cb -0.18 -1.89 -0.28 0.00 0.04 0.00 0.00 34.50 32.19 3nal s PRO 124 CO 0.08 -1.63 0.78 1.49 0.04 0.00 0.00 177.00 177.76 3nal h GLU 125 N -0.61 0.28 -5.99 4.56 4.81 -1.96 -3.41 114.58 112.24 3nal h GLU 125 Ca -0.45 -0.47 -0.59 0.00 -0.13 0.00 0.00 59.36 57.72 3nal h GLU 125 Cb 1.25 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.70 3nal h GLU 125 CO 0.51 1.14 -0.62 -1.64 -0.73 0.00 0.00 179.01 177.67 3nal s MET 126 N -2.60 2.05 0.25 1.92 -1.94 -1.26 -0.88 119.30 116.83 3nal s MET 126 Ca -0.11 -1.78 -0.10 0.00 -1.71 0.00 0.00 55.69 51.98 3nal s MET 126 Cb 0.06 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 35.00 3nal s MET 126 CO 0.85 0.12 0.42 0.20 -0.01 0.00 0.00 175.02 176.60 3nal s GLY 127 N -3.71 0.75 -0.18 -0.03 0.00 0.22 -4.41 107.32 99.97 3nal s GLY 127 Ca 0.35 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3nal s GLY 127 CO 0.19 -0.78 -0.08 0.54 0.00 0.00 0.00 173.10 172.97 3nal s LYS 128 N -3.95 1.78 0.21 2.90 1.02 -1.26 -1.80 119.74 118.64 3nal s LYS 128 Ca 0.26 -0.65 0.07 0.00 0.02 0.00 0.00 55.97 55.67 3nal s LYS 128 Cb 0.01 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3nal s LYS 128 CO 0.10 -0.40 -0.13 0.14 -0.92 0.00 0.00 175.35 174.14 3nal s VAL 129 N 1.52 1.65 -0.27 3.17 -7.23 -0.68 -0.11 120.40 118.45 3nal s VAL 129 Ca 0.01 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3nal s VAL 129 Cb -0.15 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.77 3nal s VAL 129 CO -0.08 -0.58 -0.07 -0.31 -0.31 0.00 0.00 175.10 173.75 3nal s TYR 130 N -3.02 3.20 0.30 2.82 2.02 -0.50 -1.16 117.35 121.01 3nal s TYR 130 Ca 0.23 -2.03 0.11 0.00 -0.37 0.00 0.00 57.07 55.01 3nal s TYR 130 Cb 0.00 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3nal s TYR 130 CO 0.07 -0.83 -0.16 1.03 -1.57 0.00 0.00 175.55 174.09 3nal s ARG 131 N 1.19 1.70 0.38 -0.62 0.52 -1.24 -3.84 118.95 117.05 3nal s ARG 131 Ca -0.06 -1.81 0.07 0.00 -0.52 0.00 0.00 55.73 53.41 3nal s ARG 131 Cb -0.19 -1.69 0.79 0.00 0.52 0.00 0.00 34.95 34.38 3nal s ARG 131 CO -0.04 0.25 1.99 0.00 0.02 0.00 0.00 175.30 177.52 3nal h ALA 132 N 2.21 1.72 0.00 2.13 0.00 -0.74 -3.05 119.26 121.54 3nal h ALA 132 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3nal h ALA 132 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3nal h ALA 132 CO 0.64 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 3nal n ASP 133 N -4.47 0.03 0.00 0.00 5.75 -1.26 -4.56 116.55 112.04 3nal n ASP 133 Ca 0.08 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 3nal n ASP 133 Cb 0.18 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3nal n ASP 133 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3nal n ARG 134 N 0.08 0.00 0.05 0.11 1.74 -1.15 -5.05 116.66 112.44 3nal n ARG 134 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3nal n ARG 134 Cb 0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.36 3nal n ARG 134 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3nal h LYS 135 N 0.00 0.00 -7.11 5.56 2.10 -1.80 -3.39 116.57 111.93 3nal h LYS 135 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 3nal h LYS 135 Cb 0.00 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.38 3nal h LYS 135 CO 0.00 0.64 0.19 -1.54 -2.00 0.00 0.00 179.45 176.73 3nal s SER 136 N -6.33 5.73 0.37 7.07 1.04 -1.26 -4.99 113.70 115.33 3nal s SER 136 Ca -0.01 0.80 -0.26 0.00 0.48 0.00 0.00 55.95 56.97 3nal s SER 136 Cb 0.09 -1.85 -0.09 0.00 0.10 0.00 0.00 66.02 64.27 3nal s SER 136 CO 0.81 -0.98 1.11 0.54 0.98 0.00 0.00 173.24 175.70 3nal s VAL 137 N -2.97 3.41 -0.10 5.02 0.11 -1.26 -4.75 120.40 119.86 3nal s VAL 137 Ca 0.53 1.21 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 3nal s VAL 137 Cb -0.11 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 3nal s VAL 137 CO 0.46 0.13 -0.13 -1.10 -3.33 0.00 0.00 175.10 171.13 3nal s GLN 138 N -2.14 3.05 -1.11 1.54 -0.21 -0.31 -4.98 119.66 115.50 3nal s GLN 138 Ca 0.54 -0.68 -0.08 0.00 0.02 0.00 0.00 55.36 55.16 3nal s GLN 138 Cb -0.28 -2.55 0.28 0.00 1.00 0.00 0.00 33.01 31.46 3nal s GLN 138 CO 0.36 0.38 1.17 -2.13 -2.12 0.00 0.00 175.29 172.95 3nal n ARG 139 N 3.03 3.69 -0.72 2.91 0.63 -1.26 -1.69 116.66 123.24 3nal n ARG 139 Ca -0.18 -4.48 -0.07 0.00 -0.92 0.00 0.00 57.85 52.20 3nal n ARG 139 Cb 0.53 -2.54 0.05 0.00 0.45 0.00 0.00 32.46 30.94 3nal n ARG 139 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3nal n ILE 140 N 2.44 0.00 -3.28 5.15 -5.35 -0.74 -4.73 119.36 112.85 3nal n ILE 140 Ca 0.24 -0.31 -0.39 0.00 -0.27 0.00 0.00 62.75 62.02 3nal n ILE 140 Cb 0.38 -1.66 -0.06 0.00 -1.74 0.00 0.00 39.64 36.56 3nal n ILE 140 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3nal s LYS 141 N -3.55 4.27 0.35 6.28 1.02 -1.26 -0.61 119.74 126.24 3nal s LYS 141 Ca 0.19 0.44 0.16 0.00 0.02 0.00 0.00 55.97 56.78 3nal s LYS 141 Cb -0.01 -3.50 1.19 0.00 -0.52 0.00 0.00 37.83 35.00 3nal s LYS 141 CO 0.13 0.00 1.58 0.00 -0.92 0.00 0.00 175.35 176.15 3nal h ALA 142 N 7.09 1.91 -0.18 5.17 0.00 -1.22 0.94 119.26 132.98 3nal h ALA 142 Ca -0.37 0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3nal h ALA 142 Cb 1.17 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3nal h ALA 142 CO 0.75 -0.85 0.32 -0.09 0.00 0.00 0.00 179.25 179.38 3nal h ARG 143 N 0.01 0.00 -0.71 0.00 2.43 -1.79 -1.21 114.38 113.11 3nal h ARG 143 Ca 0.78 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 3nal h ARG 143 Cb 1.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 3nal h ARG 143 CO -0.80 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 177.41 3nal n ASP 144 N -3.38 3.93 -4.82 -3.80 8.00 0.33 -1.12 116.55 115.68 3nal n ASP 144 Ca 0.02 -2.01 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 3nal n ASP 144 Cb 0.43 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 3nal n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nal s ILE 145 N -1.03 4.43 0.11 0.53 1.01 -0.46 -4.97 121.20 120.83 3nal s ILE 145 Ca 0.48 1.41 0.03 0.00 0.00 0.00 0.00 60.65 62.56 3nal s ILE 145 Cb 0.25 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3nal s ILE 145 CO 0.32 -0.26 -0.08 -0.69 0.00 0.00 0.00 174.94 174.23 3nal s VAL 146 N -2.10 0.83 0.05 2.92 1.01 -1.26 -4.08 120.40 117.76 3nal s VAL 146 Ca 0.60 -1.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 3nal s VAL 146 Cb -0.10 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 3nal s VAL 146 CO 0.15 -0.80 1.63 -2.84 0.00 0.00 0.00 175.10 173.24 3nal s PRO 147 N -3.65 4.20 0.00 2.72 0.02 -1.26 -2.94 135.00 134.09 3nal s PRO 147 Ca 0.12 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3nal s PRO 147 Cb 0.03 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.91 3nal s PRO 147 CO -0.03 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 3nal n GLY 148 N 3.98 3.10 3.76 0.52 0.00 0.32 -4.98 105.19 111.89 3nal n GLY 148 Ca 0.16 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3nal n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3nal s ASP 149 N 0.00 5.58 -0.02 1.61 1.47 -1.15 -4.39 116.67 119.78 3nal s ASP 149 Ca 0.00 2.33 -0.30 0.00 1.18 0.00 0.00 52.55 55.75 3nal s ASP 149 Cb 0.00 -2.60 -0.05 0.00 -0.34 0.00 0.00 42.92 39.94 3nal s ASP 149 CO 0.00 -1.32 1.29 -0.63 0.68 0.00 0.00 175.17 175.19 3nal s ILE 150 N -1.62 3.98 0.15 2.11 -1.09 -1.26 -2.56 121.20 120.91 3nal s ILE 150 Ca 0.73 1.34 0.10 0.00 -2.23 0.00 0.00 60.65 60.58 3nal s ILE 150 Cb -0.28 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 3nal s ILE 150 CO 0.32 0.01 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.16 3nal s VAL 151 N 2.19 2.69 -0.08 2.92 1.01 0.27 -1.40 120.40 128.00 3nal s VAL 151 Ca 0.60 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.87 3nal s VAL 151 Cb -0.28 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3nal s VAL 151 CO 0.25 -0.00 -0.11 -0.70 0.00 0.00 0.00 175.10 174.53 3nal s GLU 152 N -2.42 1.65 0.14 2.72 2.12 0.84 -0.58 118.70 123.16 3nal s GLU 152 Ca 0.19 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 55.22 3nal s GLU 152 Cb -0.09 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 3nal s GLU 152 CO 0.10 -0.07 -0.14 0.14 -0.54 0.00 0.00 175.26 174.75 3nal s VAL 153 N 1.00 1.41 0.26 3.70 -7.23 -0.62 -4.33 120.40 114.59 3nal s VAL 153 Ca -0.08 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 3nal s VAL 153 Cb -0.15 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3nal s VAL 153 CO -0.00 -0.44 0.54 0.00 -0.31 0.00 0.00 175.10 174.88 3nal s ALA 154 N -2.29 -0.49 0.16 1.32 0.00 -1.26 -0.85 121.76 118.35 3nal s ALA 154 Ca 0.11 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 3nal s ALA 154 Cb -0.04 1.01 -0.12 0.00 0.00 0.00 0.00 23.12 23.97 3nal s ALA 154 CO 0.04 -0.90 0.35 0.28 0.00 0.00 0.00 175.76 175.52 3nal n VAL 155 N -0.40 1.36 0.00 0.00 0.31 0.97 -0.97 118.33 119.60 3nal n VAL 155 Ca -0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3nal n VAL 155 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3nal n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nal n GLY 156 N 1.48 2.58 3.77 2.92 0.00 -0.25 -4.97 105.19 110.72 3nal n GLY 156 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3nal n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nal s ASP 157 N -0.07 6.48 -0.23 1.61 1.01 -0.14 -4.76 116.67 120.57 3nal s ASP 157 Ca 0.00 2.73 -0.14 0.00 0.71 0.00 0.00 52.55 55.85 3nal s ASP 157 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3nal s ASP 157 CO 0.00 -0.74 0.30 -0.75 0.21 0.00 0.00 175.17 174.19 3nal s LYS 158 N -2.06 4.10 0.12 8.23 2.20 -1.26 -1.84 119.74 129.23 3nal s LYS 158 Ca 0.53 -0.02 -0.32 0.00 -0.36 0.00 0.00 55.97 55.80 3nal s LYS 158 Cb -0.40 -3.57 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 3nal s LYS 158 CO 0.52 -0.06 1.77 0.28 -0.36 0.00 0.00 175.35 177.51 3nal n VAL 159 N 4.50 0.26 0.33 4.02 0.31 0.16 -4.78 118.33 123.13 3nal n VAL 159 Ca -0.11 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.29 3nal n VAL 159 Cb 0.51 -1.95 0.17 0.00 -0.91 0.00 0.00 33.84 31.67 3nal n VAL 159 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3nal h PRO 160 N 7.82 0.00 -2.85 5.55 0.13 -1.89 0.39 132.00 141.15 3nal h PRO 160 Ca -0.46 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 3nal h PRO 160 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 3nal h PRO 160 CO 0.94 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 179.03 3nal s ALA 161 N -3.22 -1.15 -0.41 -0.56 0.00 -1.26 -4.85 121.76 110.31 3nal s ALA 161 Ca 0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 3nal s ALA 161 Cb 0.09 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3nal s ALA 161 CO 0.69 -1.02 1.06 -0.51 0.00 0.00 0.00 175.76 175.98 3nal s ASP 162 N -3.04 6.72 -0.06 0.00 1.11 -1.14 -2.66 116.67 117.60 3nal s ASP 162 Ca 0.14 0.63 0.03 0.00 0.18 0.00 0.00 52.55 53.54 3nal s ASP 162 Cb -0.05 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 3nal s ASP 162 CO 0.08 -1.05 -0.15 -0.63 1.18 0.00 0.00 175.17 174.60 3nal s ILE 163 N 3.97 2.99 -0.22 0.77 1.01 -0.14 -0.10 121.20 129.48 3nal s ILE 163 Ca 0.44 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3nal s ILE 163 Cb -0.10 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3nal s ILE 163 CO 0.24 0.58 0.38 -0.60 0.00 0.00 0.00 174.94 175.54 3nal s ARG 164 N -0.52 4.14 0.02 2.79 6.06 0.26 -0.37 118.95 131.34 3nal s ARG 164 Ca 0.07 0.15 -0.30 0.00 -2.50 0.00 0.00 55.73 53.14 3nal s ARG 164 Cb -0.12 -3.56 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 3nal s ARG 164 CO 0.01 -0.07 1.14 0.42 -2.50 0.00 0.00 175.30 174.30 3nal s ILE 165 N 1.42 4.30 -0.17 4.11 1.01 -0.51 -1.24 121.20 130.12 3nal s ILE 165 Ca 0.18 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.30 3nal s ILE 165 Cb -0.15 -4.05 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 3nal s ILE 165 CO 0.08 0.10 0.17 -0.07 0.00 0.00 0.00 174.94 175.22 3nal h LEU 166 N 7.07 0.00 -7.13 2.97 3.38 -0.85 -3.45 115.31 117.30 3nal h LEU 166 Ca -0.40 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.12 3nal h LEU 166 Cb 1.20 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.72 3nal h LEU 166 CO 0.81 1.12 -0.14 -0.94 0.09 0.00 0.00 178.44 179.37 3nal s SER 167 N -6.32 -0.70 -0.37 -0.43 1.04 -0.85 -4.96 113.70 101.11 3nal s SER 167 Ca -0.21 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.16 3nal s SER 167 Cb 0.03 1.06 0.01 0.00 0.10 0.00 0.00 66.02 67.22 3nal s SER 167 CO 0.45 -0.21 0.79 -0.63 0.98 0.00 0.00 173.24 174.61 3nal s ILE 168 N 1.37 4.73 0.11 -1.02 1.01 -1.26 -1.50 121.20 124.62 3nal s ILE 168 Ca -0.09 0.88 -0.13 0.00 0.00 0.00 0.00 60.65 61.31 3nal s ILE 168 Cb -0.06 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 3nal s ILE 168 CO -0.14 -0.45 1.35 0.11 0.00 0.00 0.00 174.94 175.82 3nal h LYS 169 N 8.49 0.81 0.00 2.79 1.79 -1.69 -3.45 116.57 125.31 3nal h LYS 169 Ca -0.25 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.66 3nal h LYS 169 Cb 1.09 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3nal h LYS 169 CO 0.91 1.19 0.00 -1.13 -1.08 0.00 0.00 179.45 179.34 3nal n SER 170 N -4.03 -0.43 0.05 0.86 3.41 -1.00 -4.96 113.62 107.51 3nal n SER 170 Ca -0.06 -0.65 0.11 0.00 -0.26 0.00 0.00 58.87 58.02 3nal n SER 170 Cb 0.65 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.62 3nal n SER 170 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3nal n THR 171 N -1.97 0.29 -3.65 6.66 -2.24 -1.26 -4.92 114.28 107.18 3nal n THR 171 Ca 0.00 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3nal n THR 171 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 3nal n THR 171 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3nal s THR 172 N -3.27 -0.00 -0.19 4.28 -1.32 -1.26 -5.14 115.64 108.73 3nal s THR 172 Ca 0.02 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 3nal s THR 172 Cb 0.13 -0.90 -0.00 0.00 -1.51 0.00 0.00 72.50 70.22 3nal s THR 172 CO 0.80 0.00 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.89 3nal s LEU 173 N 0.43 2.65 -0.13 9.08 2.96 -1.25 -4.05 118.68 128.36 3nal s LEU 173 Ca -0.01 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3nal s LEU 173 Cb -0.05 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3nal s LEU 173 CO -0.00 0.02 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.72 3nal s ARG 174 N 1.24 3.12 0.05 1.98 1.81 0.17 -2.01 118.95 125.31 3nal s ARG 174 Ca 0.03 -0.81 0.09 0.00 -1.72 0.00 0.00 55.73 53.31 3nal s ARG 174 Cb -0.14 -2.47 -0.03 0.00 -0.45 0.00 0.00 34.95 31.85 3nal s ARG 174 CO -0.04 0.07 -0.25 0.08 -0.68 0.00 0.00 175.30 174.47 3nal s VAL 175 N 0.64 2.06 -0.73 3.52 1.01 0.16 0.50 120.40 127.56 3nal s VAL 175 Ca -0.10 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 3nal s VAL 175 Cb -0.16 -1.77 0.19 0.00 0.00 0.00 0.00 36.38 34.64 3nal s VAL 175 CO 0.02 0.31 0.66 -0.62 0.00 0.00 0.00 175.10 175.47 3nal s ASP 176 N -1.30 6.45 -0.24 3.32 2.15 0.14 0.09 116.67 127.27 3nal s ASP 176 Ca 0.11 -2.49 0.12 0.00 0.43 0.00 0.00 52.55 50.72 3nal s ASP 176 Cb -0.10 -2.16 0.76 0.00 -0.30 0.00 0.00 42.92 41.12 3nal s ASP 176 CO 0.02 -0.61 1.68 0.00 -0.17 0.00 0.00 175.17 176.09 3nal n GLN 177 N 4.22 4.46 -0.29 4.34 6.02 -1.26 -2.62 117.38 132.25 3nal n GLN 177 Ca 0.07 -2.94 -0.12 0.00 -0.01 0.00 0.00 57.00 54.00 3nal n GLN 177 Cb 0.44 -2.21 -0.10 0.00 1.02 0.00 0.00 30.24 29.39 3nal n GLN 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3nal h SER 178 N 3.51 -2.03 -0.45 1.08 4.64 -1.75 -1.89 113.55 116.67 3nal h SER 178 Ca 0.05 0.29 0.09 0.00 -0.47 0.00 0.00 61.79 61.75 3nal h SER 178 Cb 1.96 0.87 -0.09 0.00 -0.31 0.00 0.00 62.40 64.83 3nal h SER 178 CO 0.51 -0.31 -0.16 0.16 -0.87 0.00 0.00 176.83 176.16 3nal h ILE 179 N -0.19 0.46 0.00 0.95 3.07 -1.84 -0.16 117.51 119.80 3nal h ILE 179 Ca 0.12 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.53 3nal h ILE 179 Cb 0.50 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 3nal h ILE 179 CO -0.78 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 176.50 3nal n LEU 180 N -5.37 0.00 -0.17 0.16 4.32 -0.74 -2.20 117.00 113.01 3nal n LEU 180 Ca 0.03 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.01 3nal n LEU 180 Cb 0.28 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 3nal n LEU 180 CO 0.11 0.00 0.24 0.35 -1.22 0.00 0.00 177.39 176.86 3nal n THR 181 N 0.00 -0.24 0.00 -5.08 -2.24 -1.10 -4.49 114.28 101.14 3nal n THR 181 Ca 0.00 0.99 0.00 0.00 -2.27 0.00 0.00 64.05 62.77 3nal n THR 181 Cb 0.00 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 3nal n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nal n GLY 182 N -1.18 3.01 2.10 3.38 0.00 -0.07 -5.01 105.19 107.42 3nal n GLY 182 Ca 0.03 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 3nal n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nal n GLU 183 N 0.00 0.00 0.15 1.61 1.02 -1.26 -4.33 120.64 117.83 3nal n GLU 183 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3nal n GLU 183 Cb 0.00 -0.93 0.22 0.00 -0.02 0.00 0.00 31.44 30.71 3nal n GLU 183 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3nal h SER 184 N 4.81 0.00 -3.75 1.62 0.02 -1.93 -3.22 113.55 111.10 3nal h SER 184 Ca -0.12 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.32 3nal h SER 184 Cb 0.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.42 3nal h SER 184 CO 0.65 0.54 0.47 0.68 -1.14 0.00 0.00 176.83 178.02 3nal s VAL 185 N -3.54 3.61 0.27 2.27 -7.23 -1.26 -4.78 120.40 109.74 3nal s VAL 185 Ca -0.00 1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 61.43 3nal s VAL 185 Cb 0.12 -4.00 -0.13 0.00 0.56 0.00 0.00 36.38 32.93 3nal s VAL 185 CO 0.73 0.35 1.39 -1.54 -0.31 0.00 0.00 175.10 175.73 3nal n SER 186 N 1.46 2.82 -4.70 4.85 3.41 -1.26 -4.81 113.62 115.39 3nal n SER 186 Ca -0.00 1.16 -0.28 0.00 -0.26 0.00 0.00 58.87 59.49 3nal n SER 186 Cb 0.45 -1.45 -0.07 0.00 -0.26 0.00 0.00 64.21 62.88 3nal n SER 186 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3nal s VAL 187 N -0.30 3.97 -0.04 -3.33 0.11 0.11 -4.79 120.40 116.14 3nal s VAL 187 Ca 0.65 -1.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.31 3nal s VAL 187 Cb -0.62 -2.96 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 3nal s VAL 187 CO 0.52 -0.03 0.53 -0.63 -3.33 0.00 0.00 175.10 172.17 3nal s ILE 188 N -1.58 5.01 0.14 7.04 1.01 -1.26 0.40 121.20 131.96 3nal s ILE 188 Ca 0.27 1.09 0.05 0.00 0.00 0.00 0.00 60.65 62.07 3nal s ILE 188 Cb -0.10 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3nal s ILE 188 CO 0.19 0.42 0.05 -0.54 0.00 0.00 0.00 174.94 175.06 3nal s LYS 189 N -0.09 2.64 0.00 2.79 -0.14 -0.85 -4.93 119.74 119.16 3nal s LYS 189 Ca 0.28 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 3nal s LYS 189 Cb -0.17 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 3nal s LYS 189 CO 0.14 0.50 0.00 0.72 -0.76 0.00 0.00 175.35 175.95 3nal n HIS 190 N 0.08 0.00 -0.00 3.18 8.25 -0.23 -4.56 115.22 121.94 3nal n HIS 190 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.37 3nal n HIS 190 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3nal n HIS 190 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3nal n THR 191 N 0.00 0.05 -2.08 1.59 -1.04 -1.26 -4.31 114.28 107.23 3nal n THR 191 Ca 0.00 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.54 3nal n THR 191 Cb 0.00 0.06 -0.01 0.00 -1.82 0.00 0.00 70.33 68.56 3nal n THR 191 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3nal s GLU 192 N -2.15 4.06 0.68 -2.82 0.41 -1.26 -4.71 118.70 112.90 3nal s GLU 192 Ca -0.01 2.15 -0.16 0.00 -0.41 0.00 0.00 54.97 56.54 3nal s GLU 192 Cb 0.01 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.56 3nal s GLU 192 CO 0.11 -0.42 1.21 -1.25 -0.49 0.00 0.00 175.26 174.42 3nal s PRO 193 N -2.15 2.45 -0.35 0.39 0.04 -1.26 -4.62 135.00 129.49 3nal s PRO 193 Ca 0.55 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 3nal s PRO 193 Cb -0.38 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3nal s PRO 193 CO 0.49 -1.60 0.22 0.08 0.04 0.00 0.00 177.00 176.22 3nal s VAL 194 N -1.84 4.90 0.02 -0.36 1.01 0.96 -4.98 120.40 120.11 3nal s VAL 194 Ca 0.76 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3nal s VAL 194 Cb -0.30 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3nal s VAL 194 CO 0.41 -0.09 1.08 -0.65 0.00 0.00 0.00 175.10 175.85 3nal h PRO 195 N 8.46 -0.04 -6.10 2.72 0.11 -1.84 -3.19 132.00 132.11 3nal h PRO 195 Ca -0.29 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.05 3nal h PRO 195 Cb 1.13 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.26 3nal h PRO 195 CO 0.65 -0.03 0.92 -3.47 -0.21 0.00 0.00 178.00 175.86 3nal n ASP 196 N -3.15 2.07 0.21 -2.05 -0.08 -1.26 -4.77 116.55 107.51 3nal n ASP 196 Ca -0.00 1.03 0.08 0.00 -1.51 0.00 0.00 54.79 54.39 3nal n ASP 196 Cb 0.05 -1.09 0.39 0.00 2.34 0.00 0.00 41.12 42.81 3nal n ASP 196 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nal h PRO 197 N 7.25 0.00 -0.93 -0.67 0.11 -1.97 -3.20 132.00 132.58 3nal h PRO 197 Ca -0.43 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 3nal h PRO 197 Cb 1.33 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.13 3nal h PRO 197 CO 0.98 0.29 0.51 0.54 -0.21 0.00 0.00 178.00 180.10 3nal n ARG 198 N -3.42 2.82 -2.62 1.05 1.74 -1.26 -4.90 116.66 110.07 3nal n ARG 198 Ca 0.00 -3.44 -0.37 0.00 -0.77 0.00 0.00 57.85 53.27 3nal n ARG 198 Cb 0.48 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 3nal n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nal s ALA 199 N -3.74 3.18 0.30 7.54 0.00 -1.21 -5.03 121.76 122.80 3nal s ALA 199 Ca 0.61 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 3nal s ALA 199 Cb 0.49 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 3nal s ALA 199 CO 0.01 -0.06 0.85 0.14 0.00 0.00 0.00 175.76 176.69 3nal s VAL 200 N -1.56 4.40 0.33 0.00 -7.23 -1.26 -4.91 120.40 110.18 3nal s VAL 200 Ca 0.53 1.51 0.12 0.00 -1.81 0.00 0.00 61.98 62.33 3nal s VAL 200 Cb -0.22 -3.86 0.37 0.00 0.56 0.00 0.00 36.38 33.22 3nal s VAL 200 CO 0.28 0.07 1.52 0.59 -0.31 0.00 0.00 175.10 177.25 3nal n ASN 201 N 0.36 0.14 0.10 4.85 3.02 -1.26 0.58 115.26 123.05 3nal n ASN 201 Ca 0.01 1.62 0.20 0.00 -0.03 0.00 0.00 54.58 56.38 3nal n ASN 201 Cb 0.51 -0.70 0.75 0.00 -0.61 0.00 0.00 39.78 39.73 3nal n ASN 201 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3nal h GLN 202 N 0.00 0.00 -0.11 3.52 4.15 -1.95 -0.36 115.11 120.36 3nal h GLN 202 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 3nal h GLN 202 Cb 1.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.43 3nal h GLN 202 CO -0.82 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 175.83 3nal n ASP 203 N -3.71 2.75 -4.45 -0.69 8.00 0.20 -4.66 116.55 113.98 3nal n ASP 203 Ca 0.07 -1.83 -0.43 0.00 0.71 0.00 0.00 54.79 53.31 3nal n ASP 203 Cb 0.60 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3nal n ASP 203 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3nal n LYS 204 N 1.10 3.28 0.22 -1.24 5.02 -0.15 -4.73 118.16 121.67 3nal n LYS 204 Ca 0.13 -3.52 0.16 0.00 -2.02 0.00 0.00 58.31 53.05 3nal n LYS 204 Cb 0.49 -3.25 0.72 0.00 -0.02 0.00 0.00 35.03 32.96 3nal n LYS 204 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3nal h LYS 205 N 7.20 0.00 -0.42 1.97 1.79 -1.83 -2.80 116.57 122.49 3nal h LYS 205 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3nal h LYS 205 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3nal h LYS 205 CO 1.39 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 180.03 3nal n ASN 206 N -2.66 4.67 -4.35 0.86 0.23 -1.26 -1.06 115.26 111.69 3nal n ASN 206 Ca -0.00 -2.91 -0.25 0.00 -0.53 0.00 0.00 54.58 50.88 3nal n ASN 206 Cb 0.18 -0.59 -0.12 0.00 -2.08 0.00 0.00 39.78 37.16 3nal n ASN 206 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3nal s MET 207 N -2.68 1.31 -0.15 -3.83 -1.94 -1.06 -1.43 119.30 109.53 3nal s MET 207 Ca 0.47 -1.34 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 3nal s MET 207 Cb 0.36 -1.61 0.01 0.00 2.01 0.00 0.00 34.83 35.60 3nal s MET 207 CO 0.13 0.36 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.79 3nal s LEU 208 N -2.26 2.22 -0.18 -0.03 1.43 0.50 -4.95 118.68 115.41 3nal s LEU 208 Ca 0.13 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3nal s LEU 208 Cb -0.09 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3nal s LEU 208 CO 0.06 0.08 0.46 -0.36 0.23 0.00 0.00 176.35 176.82 3nal s PHE 209 N 0.84 3.41 0.12 0.29 0.08 -1.26 -0.97 117.98 120.49 3nal s PHE 209 Ca -0.06 0.75 -0.35 0.00 0.12 0.00 0.00 56.93 57.39 3nal s PHE 209 Cb -0.15 -2.58 -0.15 0.00 -0.57 0.00 0.00 43.02 39.56 3nal s PHE 209 CO -0.02 0.02 1.45 0.45 -0.10 0.00 0.00 175.22 177.01 3nal n SER 210 N 4.33 2.28 0.00 1.36 2.88 -1.09 -1.25 113.62 122.14 3nal n SER 210 Ca -0.07 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3nal n SER 210 Cb 0.51 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3nal n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3nal n GLY 211 N 2.92 2.60 3.97 0.46 0.00 0.14 -4.71 105.19 110.57 3nal n GLY 211 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3nal n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nal s THR 212 N -2.63 2.20 0.08 2.61 -4.23 -0.38 -4.74 115.64 108.55 3nal s THR 212 Ca 0.00 -0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 3nal s THR 212 Cb 0.00 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3nal s THR 212 CO 0.00 0.00 -0.22 0.20 -0.54 0.00 0.00 174.62 174.06 3nal s ASN 213 N -4.69 2.72 -0.53 3.99 0.01 -1.08 0.37 114.94 115.73 3nal s ASN 213 Ca 0.66 -0.63 -0.23 0.00 -0.71 0.00 0.00 52.86 51.95 3nal s ASN 213 Cb -0.07 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.45 3nal s ASN 213 CO 0.45 0.14 0.84 -0.63 -1.51 0.00 0.00 177.10 176.39 3nal s ILE 214 N -0.98 4.54 0.21 0.60 1.01 -0.77 0.27 121.20 126.08 3nal s ILE 214 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3nal s ILE 214 Cb -0.10 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 3nal s ILE 214 CO 0.03 -1.01 1.52 0.00 0.00 0.00 0.00 174.94 175.48 3nal h ALA 215 N 9.21 0.75 -1.97 9.38 0.00 -0.26 -0.64 119.26 135.73 3nal h ALA 215 Ca -0.26 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.17 3nal h ALA 215 Cb 1.08 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.59 3nal h ALA 215 CO 1.05 0.72 -0.09 0.00 0.00 0.00 0.00 179.25 180.93 3nal s ALA 216 N -3.81 -2.05 0.00 0.00 0.00 -0.38 -4.74 121.76 110.78 3nal s ALA 216 Ca -0.05 2.35 0.00 0.00 0.00 0.00 0.00 51.96 54.26 3nal s ALA 216 Cb 0.11 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3nal s ALA 216 CO 0.82 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3nal n GLY 217 N 5.25 0.47 3.43 0.00 0.00 -1.26 0.44 105.19 113.53 3nal n GLY 217 Ca -0.13 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 3nal n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3nal s LYS 218 N -0.38 0.59 0.15 1.61 2.20 -1.26 -0.02 119.74 122.63 3nal s LYS 218 Ca 0.00 0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 56.35 3nal s LYS 218 Cb 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3nal s LYS 218 CO 0.00 -0.11 0.29 0.00 -0.36 0.00 0.00 175.35 175.17 3nal s ALA 219 N 0.76 -0.15 -0.04 3.13 0.00 -0.03 -1.73 121.76 123.70 3nal s ALA 219 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3nal s ALA 219 Cb -0.05 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3nal s ALA 219 CO -0.06 -0.63 -0.24 -1.17 0.00 0.00 0.00 175.76 173.66 3nal s LEU 220 N -2.93 2.05 0.24 0.00 2.96 -0.56 -1.59 118.68 118.85 3nal s LEU 220 Ca 0.14 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 3nal s LEU 220 Cb 0.03 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.44 3nal s LEU 220 CO -0.03 0.27 0.59 -0.83 -1.32 0.00 0.00 176.35 175.03 3nal s GLY 221 N -0.36 0.07 -0.15 7.98 0.00 0.25 -0.12 107.32 114.99 3nal s GLY 221 Ca 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 44.72 44.27 3nal s GLY 221 CO 0.01 -0.29 0.05 -1.50 0.00 0.00 0.00 173.10 171.37 3nal s ILE 222 N -3.93 4.66 -0.29 0.90 2.07 -0.38 0.95 121.20 125.18 3nal s ILE 222 Ca 0.13 -0.09 -0.29 0.00 -1.41 0.00 0.00 60.65 59.00 3nal s ILE 222 Cb -0.03 -3.06 -0.01 0.00 0.13 0.00 0.00 42.46 39.49 3nal s ILE 222 CO 0.04 0.51 1.59 -0.69 -1.91 0.00 0.00 174.94 174.49 3nal s VAL 223 N -0.05 3.72 -0.07 4.00 1.01 -1.06 -0.57 120.40 127.39 3nal s VAL 223 Ca 0.06 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3nal s VAL 223 Cb -0.12 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 3nal s VAL 223 CO 0.01 -0.43 0.73 0.00 0.00 0.00 0.00 175.10 175.41 3nal h ALA 224 N 11.13 -0.18 -2.24 5.51 0.00 -0.80 0.93 119.26 133.61 3nal h ALA 224 Ca -0.32 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 3nal h ALA 224 Cb 1.14 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 3nal h ALA 224 CO 1.03 -0.24 -0.70 0.95 0.00 0.00 0.00 179.25 180.29 3nal s THR 225 N -3.01 0.71 0.26 0.00 -4.23 -1.07 -1.17 115.64 107.13 3nal s THR 225 Ca -0.11 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3nal s THR 225 Cb -0.00 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 3nal s THR 225 CO 0.42 -0.87 0.11 0.28 -0.54 0.00 0.00 174.62 174.03 3nal s THR 226 N -3.60 0.42 0.00 3.99 -1.32 -1.26 -2.88 115.64 110.98 3nal s THR 226 Ca 0.12 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.60 3nal s THR 226 Cb 0.05 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 3nal s THR 226 CO -0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 3nal n GLY 227 N -0.45 2.53 0.00 6.08 0.00 -1.26 -1.45 105.19 110.64 3nal n GLY 227 Ca 0.01 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3nal n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3nal n VAL 228 N 0.00 1.08 0.75 1.61 0.31 -1.26 -2.86 118.33 117.97 3nal n VAL 228 Ca 0.00 0.27 0.11 0.00 -0.01 0.00 0.00 64.34 64.71 3nal n VAL 228 Cb 0.00 -1.05 0.28 0.00 -0.91 0.00 0.00 33.84 32.17 3nal n VAL 228 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3nal n SER 229 N -1.49 2.57 -4.91 4.52 7.64 -0.53 -2.91 113.62 118.52 3nal n SER 229 Ca 0.03 -1.87 -0.27 0.00 1.01 0.00 0.00 58.87 57.77 3nal n SER 229 Cb 0.15 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3nal n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3nal s THR 230 N -1.63 4.86 0.27 0.44 -4.23 -1.13 -4.74 115.64 109.48 3nal s THR 230 Ca 0.35 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3nal s THR 230 Cb 0.20 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.48 3nal s THR 230 CO 0.28 -0.81 1.66 -0.33 -0.54 0.00 0.00 174.62 174.88 3nal h GLU 231 N 0.24 0.20 0.00 3.99 4.39 -1.91 0.86 114.58 122.35 3nal h GLU 231 Ca -0.47 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 3nal h GLU 231 Cb 1.21 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3nal h GLU 231 CO 0.62 0.13 -0.67 0.97 -1.16 0.00 0.00 179.01 178.90 3nal h ILE 232 N 0.21 1.42 -0.19 3.13 2.10 -1.92 -2.66 117.51 119.60 3nal h ILE 232 Ca 0.48 -2.35 -0.20 0.00 1.08 0.00 0.00 64.86 63.88 3nal h ILE 232 Cb 0.91 2.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 3nal h ILE 232 CO -0.62 0.66 -0.67 1.23 -1.08 0.00 0.00 178.15 177.67 3nal h GLY 233 N 2.21 0.79 1.49 8.18 0.00 -0.51 -1.32 103.07 113.91 3nal h GLY 233 Ca -0.01 -1.02 0.02 0.00 0.00 0.00 0.00 47.33 46.32 3nal h GLY 233 CO 0.09 0.91 0.29 0.50 0.00 0.00 0.00 176.54 178.33 3nal h LYS 234 N 0.52 0.49 -0.17 4.80 1.57 0.65 -0.88 116.57 123.55 3nal h LYS 234 Ca -0.02 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3nal h LYS 234 Cb 1.27 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3nal h LYS 234 CO 0.13 0.33 -0.56 0.82 -0.57 0.00 0.00 179.45 179.60 3nal h ILE 235 N 0.51 1.33 -0.58 1.86 2.04 -1.07 -2.76 117.51 118.83 3nal h ILE 235 Ca 0.17 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 3nal h ILE 235 Cb 0.07 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3nal h ILE 235 CO -0.04 0.56 0.03 -0.09 0.00 0.00 0.00 178.15 178.61 3nal h ARG 236 N 0.39 0.98 -0.82 2.37 2.43 -0.08 -2.55 114.38 117.11 3nal h ARG 236 Ca 0.00 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 3nal h ARG 236 Cb 1.10 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 3nal h ARG 236 CO 0.10 0.95 0.37 -0.44 -1.51 0.00 0.00 179.97 179.45 3nal h ASP 237 N 0.91 1.09 -0.50 -3.80 3.32 -1.08 -1.46 116.42 114.89 3nal h ASP 237 Ca 0.17 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3nal h ASP 237 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3nal h ASP 237 CO 0.02 0.93 0.14 1.56 -1.72 0.00 0.00 179.24 180.17 3nal h GLN 238 N 1.18 0.80 -0.20 3.56 4.20 -1.24 -1.45 115.11 121.96 3nal h GLN 238 Ca 0.28 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3nal h GLN 238 Cb 0.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3nal h GLN 238 CO -0.03 0.76 -0.21 0.52 -0.67 0.00 0.00 178.83 179.19 3nal h MET 239 N 0.69 0.35 -0.19 1.46 2.86 -1.23 -2.38 114.93 116.48 3nal h MET 239 Ca 0.16 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 3nal h MET 239 Cb 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3nal h MET 239 CO -0.00 0.55 -0.46 0.00 1.06 0.00 0.00 176.91 178.05 3nal h ALA 240 N 1.47 0.84 0.00 6.32 0.00 -0.92 -2.63 119.26 124.33 3nal h ALA 240 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3nal h ALA 240 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nal h ALA 240 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3nal n ALA 241 N -2.50 2.42 -2.67 0.00 0.00 -0.58 -4.79 120.51 112.39 3nal n ALA 241 Ca -0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3nal n ALA 241 Cb 0.55 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 3nal n ALA 241 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3nal s THR 242 N -2.64 4.92 -0.22 0.00 -1.32 -0.93 -5.03 115.64 110.42 3nal s THR 242 Ca 0.25 1.78 0.02 0.00 -1.21 0.00 0.00 61.69 62.53 3nal s THR 242 Cb 0.19 -4.19 0.04 0.00 -1.51 0.00 0.00 72.50 67.03 3nal s THR 242 CO 0.46 0.22 -0.14 -0.70 -2.21 0.00 0.00 174.62 172.25 3nal s GLU 243 N 0.80 2.46 -0.08 7.08 2.56 -1.26 -5.02 118.70 125.24 3nal s GLU 243 Ca 0.45 -1.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.17 3nal s GLU 243 Cb -0.20 -2.65 -0.04 0.00 2.00 0.00 0.00 34.13 33.24 3nal s GLU 243 CO 0.24 -0.40 0.60 -0.65 -0.56 0.00 0.00 175.26 174.49 3nal s GLN 244 N 1.24 4.39 1.14 4.30 -0.21 -1.26 -5.06 119.66 124.19 3nal s GLN 244 Ca -0.02 0.70 -0.15 0.00 0.02 0.00 0.00 55.36 55.91 3nal s GLN 244 Cb -0.17 -3.43 0.26 0.00 1.00 0.00 0.00 33.01 30.67 3nal s GLN 244 CO -0.09 0.13 1.06 -0.51 -2.12 0.00 0.00 175.29 173.77 3nal s ASP 245 N 0.64 1.39 0.07 5.90 1.11 -1.26 -5.00 116.67 119.51 3nal s ASP 245 Ca 0.32 1.09 -0.18 0.00 0.18 0.00 0.00 52.55 53.96 3nal s ASP 245 Cb -0.17 -1.67 -0.07 0.00 1.07 0.00 0.00 42.92 42.09 3nal s ASP 245 CO 0.15 -3.89 0.54 -0.54 1.18 0.00 0.00 175.17 172.61 3nal s LYS 246 N -4.95 4.14 0.37 8.23 1.02 -1.26 -5.01 119.74 122.28 3nal s LYS 246 Ca 0.68 0.67 -0.25 0.00 0.02 0.00 0.00 55.97 57.09 3nal s LYS 246 Cb -0.18 -3.21 -0.13 0.00 -0.52 0.00 0.00 37.83 33.79 3nal s LYS 246 CO 0.59 0.64 0.80 2.41 -0.92 0.00 0.00 175.35 178.87 3nal n THR 247 N 1.67 2.07 -0.33 2.17 -1.04 -1.26 -4.60 114.28 112.96 3nal n THR 247 Ca -0.11 -0.50 0.22 0.00 -2.04 0.00 0.00 64.05 61.63 3nal n THR 247 Cb 0.51 -0.81 0.50 0.00 -1.82 0.00 0.00 70.33 68.71 3nal n THR 247 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3nal h PRO 248 N 1.33 0.40 -0.35 -2.82 0.13 -1.95 0.36 132.00 129.10 3nal h PRO 248 Ca -0.41 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 3nal h PRO 248 Cb 1.37 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3nal h PRO 248 CO 0.56 0.26 -0.24 1.25 -0.23 0.00 0.00 178.00 179.60 3nal h LEU 249 N 0.41 0.72 -1.12 1.56 5.85 -1.89 -0.58 115.31 120.25 3nal h LEU 249 Ca 0.60 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 3nal h LEU 249 Cb 1.48 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3nal h LEU 249 CO -0.31 0.94 -0.36 1.56 -0.34 0.00 0.00 178.44 179.93 3nal h GLN 250 N 0.62 0.15 -0.05 1.25 4.20 -0.64 -0.67 115.11 119.97 3nal h GLN 250 Ca 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3nal h GLN 250 Cb 0.74 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3nal h GLN 250 CO 0.06 0.49 -0.11 1.96 -0.67 0.00 0.00 178.83 180.56 3nal h GLN 251 N 0.13 0.16 -0.64 1.46 4.20 -0.92 -2.89 115.11 116.62 3nal h GLN 251 Ca 0.01 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 58.73 3nal h GLN 251 Cb 0.70 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 3nal h GLN 251 CO 0.05 0.70 0.43 0.87 -0.67 0.00 0.00 178.83 180.21 3nal h LYS 252 N -0.35 0.38 -0.55 1.46 1.57 -0.76 -0.37 116.57 117.96 3nal h LYS 252 Ca 0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3nal h LYS 252 Cb 0.70 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3nal h LYS 252 CO 0.02 0.25 0.07 1.25 -0.57 0.00 0.00 179.45 180.48 3nal h LEU 253 N 0.40 0.89 -0.27 2.94 6.46 -1.02 0.69 115.31 125.40 3nal h LEU 253 Ca 0.30 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3nal h LEU 253 Cb 0.64 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 3nal h LEU 253 CO -0.08 0.94 -0.13 0.44 -0.62 0.00 0.00 178.44 178.98 3nal h ASP 254 N 0.81 0.58 -0.93 1.25 3.32 -0.95 -1.28 116.42 119.21 3nal h ASP 254 Ca 0.16 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3nal h ASP 254 Cb 0.44 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3nal h ASP 254 CO 0.01 0.86 0.61 -0.08 -1.72 0.00 0.00 179.24 178.93 3nal h GLU 255 N 0.29 1.21 -0.29 3.56 4.81 -0.97 -0.87 114.58 122.32 3nal h GLU 255 Ca 0.06 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3nal h GLU 255 Cb 0.65 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3nal h GLU 255 CO 0.04 0.80 -0.13 0.35 -0.73 0.00 0.00 179.01 179.35 3nal h PHE 256 N 1.25 0.52 -0.32 0.92 3.57 -0.69 -2.38 116.94 119.81 3nal h PHE 256 Ca 0.34 -0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 3nal h PHE 256 Cb -0.14 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 3nal h PHE 256 CO -0.01 0.60 -0.38 0.78 -2.23 0.00 0.00 178.31 177.07 3nal h GLY 257 N 0.92 0.91 1.53 2.40 0.00 -0.35 -0.97 103.07 107.51 3nal h GLY 257 Ca 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3nal h GLY 257 CO 0.03 0.87 0.30 0.83 0.00 0.00 0.00 176.54 178.57 3nal h GLU 258 N 0.61 0.63 0.06 4.80 4.39 -0.93 -0.27 114.58 123.87 3nal h GLU 258 Ca 0.04 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3nal h GLU 258 Cb 0.98 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3nal h GLU 258 CO 0.09 0.43 -0.03 1.96 -1.16 0.00 0.00 179.01 180.31 3nal h GLN 259 N 0.65 -0.07 -0.97 2.33 1.08 -1.32 -3.03 115.11 113.77 3nal h GLN 259 Ca 0.17 0.00 0.24 0.00 -1.45 0.00 0.00 58.65 57.62 3nal h GLN 259 Cb -0.05 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 3nal h GLN 259 CO -0.03 0.41 0.64 1.25 -0.95 0.00 0.00 178.83 180.15 3nal h LEU 260 N -0.96 0.39 -0.04 1.46 5.85 -1.05 0.51 115.31 121.46 3nal h LEU 260 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3nal h LEU 260 Cb 0.51 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3nal h LEU 260 CO 0.01 0.12 0.03 -1.28 -0.34 0.00 0.00 178.44 176.98 3nal h SER 261 N 0.37 0.05 0.13 1.25 0.87 -1.09 -2.43 113.55 112.70 3nal h SER 261 Ca 0.52 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3nal h SER 261 Cb 1.38 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 3nal h SER 261 CO -0.21 0.09 -0.06 0.11 -0.53 0.00 0.00 176.83 176.23 3nal h LYS 262 N 0.01 -0.17 -0.29 2.24 1.57 0.06 -3.16 116.57 116.83 3nal h LYS 262 Ca 0.02 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3nal h LYS 262 Cb 0.05 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 3nal h LYS 262 CO -0.00 0.07 -0.12 0.28 -0.57 0.00 0.00 179.45 179.11 3nal h VAL 263 N -0.39 0.61 -0.16 0.50 2.07 -1.05 -1.09 116.25 116.73 3nal h VAL 263 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3nal h VAL 263 Cb 0.31 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3nal h VAL 263 CO 0.03 0.00 -0.29 0.40 0.02 0.00 0.00 177.57 177.73 3nal h ILE 264 N -0.07 0.00 -0.87 4.57 2.04 -1.48 0.15 117.51 121.86 3nal h ILE 264 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.13 3nal h ILE 264 Cb 0.29 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.31 3nal h ILE 264 CO -0.34 0.00 0.56 0.77 0.00 0.00 0.00 178.15 179.14 3nal h SER 265 N -0.24 0.70 -0.79 1.72 4.64 -1.48 0.65 113.55 118.75 3nal h SER 265 Ca 0.03 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3nal h SER 265 Cb 0.33 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3nal h SER 265 CO -0.28 0.39 0.49 -0.07 -0.87 0.00 0.00 176.83 176.49 3nal h LEU 266 N 0.76 0.94 -0.72 5.97 3.38 -0.07 -0.18 115.31 125.40 3nal h LEU 266 Ca 0.42 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 3nal h LEU 266 Cb 0.56 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3nal h LEU 266 CO -0.18 0.72 0.27 0.40 0.09 0.00 0.00 178.44 179.73 3nal h ILE 267 N 1.10 1.25 -0.05 1.22 2.04 0.16 0.82 117.51 124.04 3nal h ILE 267 Ca 0.29 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3nal h ILE 267 Cb -0.07 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3nal h ILE 267 CO -0.06 0.32 0.03 0.00 0.00 0.00 0.00 178.15 178.45 3nal h VAL 269 N 0.06 0.42 -0.09 0.00 2.07 -0.69 0.28 116.25 118.31 3nal h VAL 269 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3nal h VAL 269 Cb 0.00 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3nal h VAL 269 CO -0.00 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.33 3nal h ALA 270 N 0.35 -0.28 -0.94 1.67 0.00 -0.40 -0.73 119.26 118.93 3nal h ALA 270 Ca 0.05 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.09 3nal h ALA 270 Cb 0.49 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3nal h ALA 270 CO -0.19 -0.73 0.57 0.28 0.00 0.00 0.00 179.25 179.18 3nal h VAL 271 N -0.35 0.91 -0.76 0.00 2.07 0.96 0.82 116.25 119.91 3nal h VAL 271 Ca 0.09 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3nal h VAL 271 Cb 0.47 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3nal h VAL 271 CO -0.28 0.17 0.30 -0.25 0.02 0.00 0.00 177.57 177.53 3nal h TRP 272 N 0.92 1.16 -0.29 1.57 7.01 0.36 -2.65 115.95 124.03 3nal h TRP 272 Ca 0.46 -0.09 -0.08 0.00 2.11 0.00 0.00 58.89 61.30 3nal h TRP 272 Cb 0.44 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3nal h TRP 272 CO -0.03 0.88 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.31 3nal h LEU 273 N 1.11 0.62 -1.48 0.65 3.38 0.43 -2.97 115.31 117.05 3nal h LEU 273 Ca 0.26 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 58.00 3nal h LEU 273 Cb 0.21 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3nal h LEU 273 CO -0.02 0.88 0.56 0.40 0.09 0.00 0.00 178.44 180.35 3nal h ILE 274 N 0.36 0.74 -1.79 1.22 1.08 -0.69 -0.48 117.51 117.95 3nal h ILE 274 Ca 0.07 -0.16 -0.67 0.00 -0.39 0.00 0.00 64.86 63.71 3nal h ILE 274 Cb 0.63 0.23 -0.36 0.00 -3.07 0.00 0.00 36.82 34.26 3nal h ILE 274 CO 0.04 0.09 0.04 0.59 -0.69 0.00 0.00 178.15 178.22 3nal n ASN 275 N -4.51 5.90 0.11 1.72 3.02 -1.02 -4.63 115.26 115.84 3nal n ASN 275 Ca 0.17 -3.76 0.12 0.00 -0.03 0.00 0.00 54.58 51.08 3nal n ASN 275 Cb 0.60 -0.73 0.20 0.00 -0.61 0.00 0.00 39.78 39.23 3nal n ASN 275 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3nal h ILE 276 N 2.37 0.00 0.00 2.41 6.09 -0.95 -3.30 117.51 124.13 3nal h ILE 276 Ca 0.40 -0.67 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3nal h ILE 276 Cb 0.52 1.40 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 3nal h ILE 276 CO 1.09 0.00 -0.01 1.23 -3.07 0.00 0.00 178.15 177.38 3nal h GLY 277 N 4.33 0.00 1.06 8.18 0.00 -1.82 -1.66 103.07 113.16 3nal h GLY 277 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nal h GLY 277 CO 0.00 0.00 0.46 0.45 0.00 0.00 0.00 176.54 177.45 3nal h HIS 278 N 0.00 0.00 -0.00 5.60 3.86 -1.96 1.08 115.15 123.73 3nal h HIS 278 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nal h HIS 278 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3nal h HIS 278 CO 0.00 0.00 -0.10 1.19 0.86 0.00 0.00 177.93 179.88 3nal n PHE 279 N -2.71 0.00 -1.89 2.45 3.72 -0.63 -3.45 117.46 114.96 3nal n PHE 279 Ca -0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 3nal n PHE 279 Cb 0.49 -0.21 0.07 0.00 -0.94 0.00 0.00 39.48 38.89 3nal n PHE 279 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3nal n ASN 280 N -1.05 4.17 -4.74 4.37 3.02 0.37 -5.04 115.26 116.36 3nal n ASN 280 Ca 0.14 -3.79 -0.30 0.00 -0.03 0.00 0.00 54.58 50.59 3nal n ASN 280 Cb 0.27 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 3nal n ASN 280 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3nal s ASP 281 N -3.45 4.14 0.42 6.41 1.11 -1.22 -5.09 116.67 118.99 3nal s ASP 281 Ca 0.48 -1.50 -0.21 0.00 0.18 0.00 0.00 52.55 51.50 3nal s ASP 281 Cb 0.40 0.21 -0.15 0.00 1.07 0.00 0.00 42.92 44.45 3nal s ASP 281 CO 0.01 -0.75 0.16 -2.65 1.18 0.00 0.00 175.17 173.12 3nal n PRO 282 N -1.24 0.11 0.00 8.23 -0.02 -1.26 -4.83 135.00 135.99 3nal n PRO 282 Ca -0.13 0.04 0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3nal n PRO 282 Cb 0.67 -1.11 0.59 0.00 -0.02 0.00 0.00 33.50 33.62 3nal n PRO 282 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3nal n VAL 283 N -1.06 0.00 -4.29 -1.45 3.14 -1.26 -4.87 118.33 108.54 3nal n VAL 283 Ca 0.11 -0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.33 3nal n VAL 283 Cb 0.41 -0.40 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3nal n VAL 283 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3nal s HIS 284 N -2.95 1.45 0.00 1.45 3.76 -1.26 -5.12 115.29 112.62 3nal s HIS 284 Ca 0.15 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 3nal s HIS 284 Cb 0.19 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 33.07 3nal s HIS 284 CO 0.54 -0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 3nal n GLY 285 N -0.43 -0.28 6.44 -2.22 0.00 -1.26 -4.97 105.19 102.48 3nal n GLY 285 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3nal n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nal n GLY 286 N 0.00 1.63 0.00 -0.02 0.00 -1.26 -4.64 105.19 100.89 3nal n GLY 286 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3nal n GLY 286 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3nal n SER 287 N 9.19 0.00 0.15 1.61 2.88 -1.26 -5.00 113.62 121.20 3nal n SER 287 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3nal n SER 287 Cb 0.00 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.02 3nal n SER 287 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3nal n TRP 288 N 0.00 0.82 0.01 0.66 7.02 -1.26 -1.35 117.44 123.33 3nal n TRP 288 Ca 0.00 0.37 -0.12 0.00 -1.02 0.00 0.00 57.50 56.73 3nal n TRP 288 Cb 0.00 -1.10 -0.14 0.00 -2.42 0.00 0.00 31.31 27.66 3nal n TRP 288 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 3nal h ILE 289 N 0.00 0.97 0.18 -0.99 6.09 -1.98 -3.21 117.51 118.56 3nal h ILE 289 Ca 0.00 -2.75 -0.29 0.00 -1.37 0.00 0.00 64.86 60.45 3nal h ILE 289 Cb 0.18 2.54 0.02 0.00 0.47 0.00 0.00 36.82 40.03 3nal h ILE 289 CO 0.00 0.66 -1.37 0.03 -3.07 0.00 0.00 178.15 174.40 3nal h ARG 290 N 0.02 0.38 -0.64 2.19 3.08 -1.73 -2.90 114.38 114.78 3nal h ARG 290 Ca -0.27 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.12 3nal h ARG 290 Cb 1.99 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 32.25 3nal h ARG 290 CO 0.10 1.31 0.34 0.78 -1.07 0.00 0.00 179.97 181.43 3nal h GLY 291 N 0.12 0.95 0.72 0.04 0.00 -1.39 -2.03 103.07 101.48 3nal h GLY 291 Ca -0.26 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 3nal h GLY 291 CO 0.17 0.40 -0.35 0.00 0.00 0.00 0.00 176.54 176.77 3nal h ALA 292 N 1.48 -1.17 -1.00 3.60 0.00 -1.64 -1.69 119.26 118.84 3nal h ALA 292 Ca 0.23 -0.21 0.39 0.00 0.00 0.00 0.00 54.91 55.32 3nal h ALA 292 Cb 0.04 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.03 3nal h ALA 292 CO -0.04 -1.10 0.48 0.82 0.00 0.00 0.00 179.25 179.42 3nal h ILE 293 N -1.04 0.03 0.65 0.00 1.08 -1.33 0.19 117.51 117.09 3nal h ILE 293 Ca -0.10 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 3nal h ILE 293 Cb 0.75 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.50 3nal h ILE 293 CO 0.16 0.01 -0.32 0.22 -0.69 0.00 0.00 178.15 177.53 3nal h TYR 294 N 0.03 -0.84 -0.30 1.37 3.20 -0.96 -0.13 116.97 119.34 3nal h TYR 294 Ca 0.81 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.75 3nal h TYR 294 Cb 2.08 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 40.62 3nal h TYR 294 CO -0.07 -0.51 0.31 1.88 -1.64 0.00 0.00 178.16 178.13 3nal h TYR 295 N -0.88 0.00 0.12 -3.82 0.05 0.23 -0.84 116.97 111.82 3nal h TYR 295 Ca -0.09 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.47 3nal h TYR 295 Cb 0.68 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.45 3nal h TYR 295 CO 0.06 0.00 -0.95 0.74 -1.05 0.00 0.00 178.16 176.96 3nal h PHE 296 N 0.00 0.73 0.00 4.88 0.04 -0.83 -2.44 116.94 119.32 3nal h PHE 296 Ca 0.14 -0.48 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 3nal h PHE 296 Cb 0.76 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 3nal h PHE 296 CO 0.00 1.35 -0.07 0.87 -0.60 0.00 0.00 178.31 179.86 3nal h LYS 297 N -0.10 0.00 -0.03 1.51 1.57 0.13 -0.26 116.57 119.39 3nal h LYS 297 Ca -0.15 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.41 3nal h LYS 297 Cb 1.70 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.03 3nal h LYS 297 CO 0.18 0.07 -0.82 0.82 -0.57 0.00 0.00 179.45 179.13 3nal h ILE 298 N 0.00 1.33 0.21 1.86 1.08 -1.18 -2.78 117.51 118.03 3nal h ILE 298 Ca -0.00 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.36 3nal h ILE 298 Cb 0.18 2.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 3nal h ILE 298 CO 0.01 0.64 -0.40 0.00 -0.69 0.00 0.00 178.15 177.71 3nal h ALA 299 N 0.40 -0.96 -0.84 1.87 0.00 -0.56 0.41 119.26 119.59 3nal h ALA 299 Ca -0.09 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3nal h ALA 299 Cb 1.48 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 19.90 3nal h ALA 299 CO 0.16 -1.03 0.41 -0.39 0.00 0.00 0.00 179.25 178.40 3nal h VAL 300 N -0.66 0.69 0.04 0.00 -1.51 -1.45 -0.90 116.25 112.47 3nal h VAL 300 Ca -0.02 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3nal h VAL 300 Cb 0.62 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 3nal h VAL 300 CO -0.15 0.10 -0.02 0.00 -1.23 0.00 0.00 177.57 176.27 3nal h ALA 301 N 1.57 -0.06 -0.67 5.19 0.00 -1.15 -1.64 119.26 122.50 3nal h ALA 301 Ca 0.46 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.41 3nal h ALA 301 Cb 0.69 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 3nal h ALA 301 CO -0.38 -0.43 -0.03 1.25 0.00 0.00 0.00 179.25 179.66 3nal h LEU 302 N -0.26 -0.36 0.15 0.00 5.85 0.89 0.19 115.31 121.76 3nal h LEU 302 Ca -0.01 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3nal h LEU 302 Cb 0.24 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3nal h LEU 302 CO 0.01 -0.16 -0.07 0.00 -0.34 0.00 0.00 178.44 177.88 3nal h ALA 303 N 1.63 -0.20 -0.49 1.25 0.00 -1.06 -0.36 119.26 120.03 3nal h ALA 303 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3nal h ALA 303 Cb 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3nal h ALA 303 CO -0.60 -0.58 0.32 0.28 0.00 0.00 0.00 179.25 178.67 3nal h VAL 304 N -0.26 1.13 0.00 0.00 2.07 -0.47 -2.00 116.25 116.73 3nal h VAL 304 Ca -0.02 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3nal h VAL 304 Cb 0.20 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3nal h VAL 304 CO 0.03 0.13 -0.27 0.00 0.02 0.00 0.00 177.57 177.48 3nal h ALA 305 N 1.68 0.93 0.00 1.67 0.00 -0.33 -3.28 119.26 119.94 3nal h ALA 305 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3nal h ALA 305 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3nal h ALA 305 CO -0.04 0.33 -0.79 0.00 0.00 0.00 0.00 179.25 178.76 3nal n ALA 306 N -2.21 3.08 -2.71 0.00 0.00 -0.18 -4.28 120.51 114.21 3nal n ALA 306 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 3nal n ALA 306 Cb 0.51 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3nal n ALA 306 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nal s ILE 307 N -3.19 4.10 -1.26 0.00 1.01 -1.13 -4.92 121.20 115.82 3nal s ILE 307 Ca 0.05 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 3nal s ILE 307 Cb 0.14 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.96 3nal s ILE 307 CO 0.75 0.58 1.66 -2.84 0.00 0.00 0.00 174.94 175.09 3nal s PRO 308 N -0.59 3.97 0.63 2.79 0.02 -1.26 -4.82 135.00 135.74 3nal s PRO 308 Ca 0.09 -2.04 0.41 0.00 0.02 0.00 0.00 61.00 59.49 3nal s PRO 308 Cb -0.12 -5.43 2.09 0.00 0.02 0.00 0.00 34.50 31.06 3nal s PRO 308 CO 0.02 -2.16 2.25 0.93 -0.33 0.00 0.00 177.00 177.71 3nal h GLU 309 N 7.67 0.00 0.00 5.54 3.07 -1.88 -2.68 114.58 126.29 3nal h GLU 309 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3nal h GLU 309 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3nal h GLU 309 CO 1.41 0.00 -0.86 0.41 -1.40 0.00 0.00 179.01 178.58 3nal n GLY 310 N -0.74 -1.27 0.26 -3.84 0.00 -0.94 -4.45 105.19 94.22 3nal n GLY 310 Ca -0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 3nal n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nal h LEU 311 N 0.00 -0.72 -0.81 0.99 5.85 -1.72 -1.70 115.31 117.19 3nal h LEU 311 Ca 0.00 0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.06 3nal h LEU 311 Cb 0.71 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.97 3nal h LEU 311 CO 0.00 -0.25 0.18 -0.65 -0.34 0.00 0.00 178.44 177.38 3nal h PRO 312 N -0.20 0.21 -0.30 5.25 0.11 -1.78 0.29 132.00 135.58 3nal h PRO 312 Ca 0.16 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 3nal h PRO 312 Cb 0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3nal h PRO 312 CO -0.42 0.14 -0.13 0.00 -0.21 0.00 0.00 178.00 177.38 3nal h ALA 313 N 1.71 0.42 -0.27 -0.75 0.00 -1.69 -2.23 119.26 116.46 3nal h ALA 313 Ca 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3nal h ALA 313 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3nal h ALA 313 CO -0.61 0.30 0.07 0.28 0.00 0.00 0.00 179.25 179.30 3nal h VAL 314 N 0.38 1.21 0.05 0.00 2.07 -0.20 -0.93 116.25 118.83 3nal h VAL 314 Ca 0.07 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3nal h VAL 314 Cb 0.65 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3nal h VAL 314 CO 0.04 0.22 -0.03 0.40 0.02 0.00 0.00 177.57 178.23 3nal h ILE 315 N 0.27 1.00 -0.36 4.57 2.04 -0.55 -0.98 117.51 123.49 3nal h ILE 315 Ca 0.09 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3nal h ILE 315 Cb 0.27 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3nal h ILE 315 CO -0.00 0.05 0.06 0.71 0.00 0.00 0.00 178.15 178.96 3nal h THR 316 N -0.15 1.24 -0.07 -0.27 1.35 -1.39 -1.37 112.91 112.25 3nal h THR 316 Ca -0.01 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3nal h THR 316 Cb 0.13 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3nal h THR 316 CO 0.01 0.28 0.04 0.71 -0.25 0.00 0.00 175.52 176.32 3nal h THR 317 N 0.44 1.02 -0.07 6.82 1.35 -1.08 0.34 112.91 121.74 3nal h THR 317 Ca 0.11 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.90 3nal h THR 317 Cb 0.36 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3nal h THR 317 CO 0.01 0.02 -0.04 0.00 -0.25 0.00 0.00 175.52 175.26 3nal h LEU 319 N -0.26 0.61 -0.84 0.00 3.38 -0.54 -1.30 115.31 116.37 3nal h LEU 319 Ca 0.01 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.91 3nal h LEU 319 Cb 0.51 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3nal h LEU 319 CO 0.01 0.64 0.46 0.00 0.09 0.00 0.00 178.44 179.64 3nal h ALA 320 N 0.99 1.23 0.09 1.53 0.00 -0.36 0.15 119.26 122.89 3nal h ALA 320 Ca 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3nal h ALA 320 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3nal h ALA 320 CO -0.01 0.02 -0.04 -0.07 0.00 0.00 0.00 179.25 179.15 3nal h LEU 321 N 0.72 -0.10 -0.09 0.00 3.38 -1.02 -2.39 115.31 115.81 3nal h LEU 321 Ca 0.43 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3nal h LEU 321 Cb 0.49 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3nal h LEU 321 CO -0.30 0.08 -0.22 1.23 0.09 0.00 0.00 178.44 179.33 3nal h GLY 322 N -0.28 -0.23 -0.85 0.83 0.00 -0.46 -0.94 103.07 101.15 3nal h GLY 322 Ca -0.01 0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.65 3nal h GLY 322 CO 0.02 -0.19 -0.50 2.41 0.00 0.00 0.00 176.54 178.28 3nal n THR 323 N -5.35 -0.57 -0.34 4.70 -1.04 0.47 0.66 114.28 112.81 3nal n THR 323 Ca -0.03 2.21 0.07 0.00 -2.04 0.00 0.00 64.05 64.25 3nal n THR 323 Cb 0.26 -2.75 0.25 0.00 -1.82 0.00 0.00 70.33 66.28 3nal n THR 323 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3nal h ARG 324 N 0.00 0.96 -0.56 -2.82 3.08 -1.04 -0.47 114.38 113.53 3nal h ARG 324 Ca 0.14 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3nal h ARG 324 Cb 0.35 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3nal h ARG 324 CO -0.79 0.63 0.16 -0.09 -1.07 0.00 0.00 179.97 178.81 3nal h ARG 325 N 0.99 0.84 0.03 0.04 2.43 0.16 -2.42 114.38 116.44 3nal h ARG 325 Ca 0.46 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 59.23 3nal h ARG 325 Cb 0.42 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3nal h ARG 325 CO -0.22 0.74 -1.01 0.52 -1.51 0.00 0.00 179.97 178.48 3nal h MET 326 N 0.81 0.43 -0.97 0.20 2.86 0.11 -3.13 114.93 115.24 3nal h MET 326 Ca 0.18 -0.50 0.05 0.00 -2.06 0.00 0.00 59.70 57.37 3nal h MET 326 Cb 0.26 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3nal h MET 326 CO -0.01 1.16 0.63 0.00 1.06 0.00 0.00 176.91 179.75 3nal h ALA 327 N 0.66 1.31 -0.05 6.32 0.00 -0.87 0.53 119.26 127.15 3nal h ALA 327 Ca -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3nal h ALA 327 Cb 1.66 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3nal h ALA 327 CO 0.18 0.47 0.14 0.87 0.00 0.00 0.00 179.25 180.91 3nal h LYS 328 N 1.18 0.00 -0.62 0.00 1.57 -1.39 0.11 116.57 117.43 3nal h LYS 328 Ca 0.40 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.91 3nal h LYS 328 Cb 0.07 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.22 3nal h LYS 328 CO -0.14 0.00 0.23 1.63 -0.57 0.00 0.00 179.45 180.60 3nal n LYS 329 N -3.28 2.46 -3.18 3.15 5.02 0.18 -4.95 118.16 117.56 3nal n LYS 329 Ca -0.01 -3.08 -0.22 0.00 -2.02 0.00 0.00 58.31 52.98 3nal n LYS 329 Cb 0.22 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.27 3nal n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3nal n ASN 330 N -0.87 -5.97 -3.74 4.39 3.02 0.39 -4.90 115.26 107.58 3nal n ASN 330 Ca 0.42 -0.36 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 3nal n ASN 330 Cb 1.29 -4.71 -0.15 0.00 -0.61 0.00 0.00 39.78 35.60 3nal n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nal s ALA 331 N -3.20 1.55 -0.47 5.41 0.00 -0.80 -2.58 121.76 121.67 3nal s ALA 331 Ca 0.38 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 3nal s ALA 331 Cb -0.17 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3nal s ALA 331 CO 0.47 -1.65 0.78 0.42 0.00 0.00 0.00 175.76 175.79 3nal s ILE 332 N 1.61 4.64 -0.40 0.00 1.01 -0.57 -2.82 121.20 124.67 3nal s ILE 332 Ca 0.09 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 3nal s ILE 332 Cb -0.17 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.97 3nal s ILE 332 CO -0.24 -0.77 0.29 -0.69 0.00 0.00 0.00 174.94 173.53 3nal s VAL 333 N 3.29 5.25 -0.18 2.92 1.01 -1.26 -0.61 120.40 130.82 3nal s VAL 333 Ca 0.28 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3nal s VAL 333 Cb -0.13 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3nal s VAL 333 CO 0.21 -0.29 0.18 0.00 0.00 0.00 0.00 175.10 175.21 3nal s ARG 334 N 1.68 4.17 0.00 2.72 1.70 -0.58 -4.73 118.95 123.92 3nal s ARG 334 Ca 0.05 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 3nal s ARG 334 Cb -0.19 -3.41 0.00 0.00 -0.57 0.00 0.00 34.95 30.78 3nal s ARG 334 CO 0.10 0.31 0.00 0.45 -1.08 0.00 0.00 175.30 175.08 3nal n SER 335 N 3.45 -0.80 -0.32 -2.89 2.88 -1.26 -4.58 113.62 110.11 3nal n SER 335 Ca -0.15 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.35 3nal n SER 335 Cb 0.52 -0.40 0.08 0.00 -0.75 0.00 0.00 64.21 63.66 3nal n SER 335 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3nal h LEU 336 N 0.00 1.05 -0.16 2.46 3.38 -1.96 -1.79 115.31 118.28 3nal h LEU 336 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3nal h LEU 336 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3nal h LEU 336 CO 0.00 0.82 0.05 -2.65 0.09 0.00 0.00 178.44 176.75 3nal n PRO 337 N -4.40 0.02 0.09 1.13 -0.02 -1.26 -1.44 135.00 129.11 3nal n PRO 337 Ca 0.09 0.47 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 3nal n PRO 337 Cb 0.07 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 3nal n PRO 337 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3nal h SER 338 N 0.00 0.00 -0.99 2.55 0.02 -1.66 -3.25 113.55 110.22 3nal h SER 338 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 3nal h SER 338 Cb 0.11 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.51 3nal h SER 338 CO 0.00 0.82 0.55 0.58 -1.14 0.00 0.00 176.83 177.64 3nal h VAL 339 N 0.00 0.45 0.80 2.27 2.07 -1.39 0.15 116.25 120.60 3nal h VAL 339 Ca -0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3nal h VAL 339 Cb 1.64 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3nal h VAL 339 CO 0.11 0.09 -0.39 -0.08 0.02 0.00 0.00 177.57 177.32 3nal h GLU 340 N 0.47 -1.04 -0.99 1.57 4.81 -1.75 -2.52 114.58 115.13 3nal h GLU 340 Ca 0.66 0.07 0.20 0.00 -0.13 0.00 0.00 59.36 60.16 3nal h GLU 340 Cb 1.35 0.24 -0.10 0.00 0.63 0.00 0.00 28.75 30.87 3nal h GLU 340 CO -0.53 -0.69 0.62 1.79 -0.73 0.00 0.00 179.01 179.46 3nal h THR 341 N -1.27 0.68 0.07 0.32 1.35 -1.41 -0.27 112.91 112.39 3nal h THR 341 Ca -0.11 -0.23 0.03 0.00 -0.55 0.00 0.00 66.41 65.55 3nal h THR 341 Cb 0.83 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.17 3nal h THR 341 CO 0.18 0.12 -0.35 0.25 -0.25 0.00 0.00 175.52 175.47 3nal h LEU 342 N 0.66 -1.04 -1.96 3.87 5.85 -0.66 -1.55 115.31 120.47 3nal h LEU 342 Ca 0.56 0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.57 3nal h LEU 342 Cb 1.01 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3nal h LEU 342 CO -0.33 -0.43 0.51 1.23 -0.34 0.00 0.00 178.44 179.08 3nal h GLY 343 N -0.55 0.00 -1.88 3.75 0.00 -0.60 -0.88 103.07 102.91 3nal h GLY 343 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3nal h GLY 343 CO -0.24 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.30 3nal n THR 345 N 1.02 0.57 -0.06 0.00 -2.24 -0.34 -4.61 114.28 108.62 3nal n THR 345 Ca 0.18 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.75 3nal n THR 345 Cb 0.44 -1.86 -0.11 0.00 -2.10 0.00 0.00 70.33 66.71 3nal n THR 345 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3nal n SER 346 N 2.88 1.72 -4.13 3.42 3.41 0.12 -4.81 113.62 116.23 3nal n SER 346 Ca 0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.50 3nal n SER 346 Cb 0.35 0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 65.01 3nal n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3nal s VAL 347 N -2.35 1.22 -0.18 -3.33 1.01 -1.07 0.66 120.40 116.37 3nal s VAL 347 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3nal s VAL 347 Cb 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3nal s VAL 347 CO 0.55 0.35 -0.10 -0.63 0.00 0.00 0.00 175.10 175.26 3nal s ILE 348 N -0.35 1.51 -0.30 2.22 1.01 0.83 -1.19 121.20 124.93 3nal s ILE 348 Ca 0.06 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 3nal s ILE 348 Cb -0.06 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3nal s ILE 348 CO -0.01 0.25 0.27 0.00 0.00 0.00 0.00 174.94 175.45 3nal s SER 350 N 1.72 3.19 0.46 0.00 0.15 0.12 -2.27 113.70 117.07 3nal s SER 350 Ca 0.10 -0.48 -0.22 0.00 0.70 0.00 0.00 55.95 56.05 3nal s SER 350 Cb -0.16 -0.38 -0.08 0.00 -1.71 0.00 0.00 66.02 63.69 3nal s SER 350 CO 0.11 0.30 1.07 -1.81 1.20 0.00 0.00 173.24 174.11 3nal s ASP 351 N -0.83 6.42 0.00 5.45 1.01 -1.26 0.38 116.67 127.84 3nal s ASP 351 Ca 0.11 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.40 3nal s ASP 351 Cb -0.10 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3nal s ASP 351 CO 0.00 -0.73 0.00 1.17 0.21 0.00 0.00 175.17 175.82 3nal n LYS 352 N -0.61 0.00 0.00 8.23 4.81 -0.50 -3.78 118.16 126.31 3nal n LYS 352 Ca 0.08 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3nal n LYS 352 Cb 0.51 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.82 3nal n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3nal n THR 353 N -1.70 0.00 0.23 3.15 -1.04 -1.26 -0.18 114.28 113.47 3nal n THR 353 Ca 0.00 0.28 0.13 0.00 -2.04 0.00 0.00 64.05 62.42 3nal n THR 353 Cb 0.00 -0.40 0.33 0.00 -1.82 0.00 0.00 70.33 68.44 3nal n THR 353 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3nal h GLY 354 N 0.00 0.00 0.00 3.41 0.00 -1.86 -3.23 103.07 101.39 3nal h GLY 354 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3nal h GLY 354 CO 0.00 0.00 -1.81 -1.30 0.00 0.00 0.00 176.54 173.43 3nal n THR 355 N -3.13 0.81 -0.02 4.70 -2.24 -0.42 -4.61 114.28 109.38 3nal n THR 355 Ca 0.03 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 3nal n THR 355 Cb 0.48 -0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.85 3nal n THR 355 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3nal n LEU 356 N -2.47 1.64 -4.84 3.22 4.77 0.74 -2.24 117.00 117.81 3nal n LEU 356 Ca -0.20 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 3nal n LEU 356 Cb 0.88 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3nal n LEU 356 CO 0.24 0.60 -0.03 0.42 -1.33 0.00 0.00 177.39 177.29 3nal s THR 357 N -2.58 2.05 -0.27 -5.08 -4.23 -1.07 -1.96 115.64 102.50 3nal s THR 357 Ca -0.13 -1.54 0.23 0.00 -1.18 0.00 0.00 61.69 59.07 3nal s THR 357 Cb 0.07 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.39 3nal s THR 357 CO 0.80 0.00 1.14 0.71 -0.54 0.00 0.00 174.62 176.73 3nal h THR 358 N 1.03 0.00 -1.06 3.99 1.35 -0.51 -3.40 112.91 114.31 3nal h THR 358 Ca -0.40 -1.00 -0.19 0.00 -0.55 0.00 0.00 66.41 64.27 3nal h THR 358 Cb 1.28 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 3nal h THR 358 CO 0.62 0.00 -0.22 -3.20 -0.25 0.00 0.00 175.52 172.46 3nal n ASN 359 N -2.75 -3.52 -4.02 5.36 5.15 -1.24 -4.91 115.26 109.33 3nal n ASN 359 Ca 0.01 0.07 -0.32 0.00 -0.60 0.00 0.00 54.58 53.73 3nal n ASN 359 Cb 0.55 -2.49 -0.13 0.00 -0.53 0.00 0.00 39.78 37.17 3nal n ASN 359 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3nal s GLN 360 N -3.94 1.88 0.78 1.20 -0.21 -1.26 -4.96 119.66 113.16 3nal s GLN 360 Ca 0.00 -2.23 -0.11 0.00 0.02 0.00 0.00 55.36 53.04 3nal s GLN 360 Cb 0.00 -3.37 0.06 0.00 1.00 0.00 0.00 33.01 30.70 3nal s GLN 360 CO 0.00 -1.05 1.09 -1.64 -2.12 0.00 0.00 175.29 171.57 3nal s MET 361 N 0.36 2.17 -0.29 2.91 -1.94 -1.26 -4.48 119.30 116.77 3nal s MET 361 Ca 0.14 1.12 -0.24 0.00 -1.71 0.00 0.00 55.69 55.00 3nal s MET 361 Cb -0.22 -1.89 0.16 0.00 2.01 0.00 0.00 34.83 34.88 3nal s MET 361 CO -0.04 -1.69 1.21 -1.54 -0.01 0.00 0.00 175.02 172.95 3nal s SER 362 N -3.41 -0.27 -0.03 3.03 1.04 -1.20 -4.69 113.70 108.16 3nal s SER 362 Ca 0.61 0.52 -0.26 0.00 0.48 0.00 0.00 55.95 57.30 3nal s SER 362 Cb -0.17 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3nal s SER 362 CO 0.56 -0.09 0.81 -0.69 0.98 0.00 0.00 173.24 174.82 3nal s VAL 363 N 0.22 4.96 -0.16 5.02 1.01 -1.26 -1.18 120.40 129.01 3nal s VAL 363 Ca 0.04 1.70 0.10 0.00 0.00 0.00 0.00 61.98 63.82 3nal s VAL 363 Cb -0.05 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.01 3nal s VAL 363 CO -0.11 0.22 -0.00 0.00 0.00 0.00 0.00 175.10 175.21 3nal s LYS 365 N -2.37 0.48 0.26 0.00 1.02 -1.13 -0.36 119.74 117.63 3nal s LYS 365 Ca -0.12 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3nal s LYS 365 Cb 0.05 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.08 3nal s LYS 365 CO 0.57 0.04 0.10 -1.64 -0.92 0.00 0.00 175.35 173.50 3nal s MET 366 N -1.42 1.42 -0.30 1.68 -1.94 -1.22 -0.78 119.30 116.74 3nal s MET 366 Ca -0.10 -1.77 -0.16 0.00 -1.71 0.00 0.00 55.69 51.95 3nal s MET 366 Cb -0.09 -0.24 0.18 0.00 2.01 0.00 0.00 34.83 36.69 3nal s MET 366 CO 0.00 -0.31 1.14 -0.59 -0.01 0.00 0.00 175.02 175.26 3nal s PHE 367 N -3.75 -0.30 0.44 -0.03 -0.12 -0.95 -0.36 117.98 112.91 3nal s PHE 367 Ca 0.38 0.57 0.04 0.00 -0.05 0.00 0.00 56.93 57.87 3nal s PHE 367 Cb 0.08 0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 3nal s PHE 367 CO 0.14 -0.15 0.01 0.96 -0.05 0.00 0.00 175.22 176.14 3nal s ILE 368 N 1.46 1.56 -0.17 -4.49 -4.36 -1.22 -1.72 121.20 112.25 3nal s ILE 368 Ca -0.06 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.13 3nal s ILE 368 Cb -0.03 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 3nal s ILE 368 CO -0.13 0.00 0.54 -0.63 0.24 0.00 0.00 174.94 174.96 3nal s ILE 369 N -2.83 5.11 -0.13 8.37 -1.09 -1.26 -1.06 121.20 128.30 3nal s ILE 369 Ca 0.23 1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 59.57 3nal s ILE 369 Cb 0.06 -3.87 -0.25 0.00 -1.58 0.00 0.00 42.46 36.83 3nal s ILE 369 CO 0.12 0.21 0.36 -0.78 -1.23 0.00 0.00 174.94 173.62 3nal h ASP 370 N 7.21 0.34 -3.07 3.58 3.58 -1.12 -3.35 116.42 123.59 3nal h ASP 370 Ca -0.36 -0.86 0.05 0.00 0.42 0.00 0.00 57.03 56.29 3nal h ASP 370 Cb 1.16 -0.11 -0.25 0.00 1.72 0.00 0.00 39.33 41.86 3nal h ASP 370 CO 0.75 1.77 0.29 -0.75 -2.88 0.00 0.00 179.24 178.42 3nal s LYS 371 N -2.52 0.56 -0.02 0.28 2.20 -0.62 -4.85 119.74 114.77 3nal s LYS 371 Ca -0.23 0.82 0.05 0.00 -0.36 0.00 0.00 55.97 56.25 3nal s LYS 371 Cb 0.06 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3nal s LYS 371 CO 0.74 -0.09 -0.18 0.08 -0.36 0.00 0.00 175.35 175.54 3nal s VAL 372 N 0.91 1.42 -0.30 4.02 1.01 -1.26 -0.56 120.40 125.64 3nal s VAL 372 Ca -0.04 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3nal s VAL 372 Cb -0.05 -1.19 0.17 0.00 0.00 0.00 0.00 36.38 35.32 3nal s VAL 372 CO -0.11 0.40 0.89 -0.62 0.00 0.00 0.00 175.10 175.67 3nal s ASP 373 N -0.28 -0.77 1.81 3.32 2.15 -0.91 -5.01 116.67 116.98 3nal s ASP 373 Ca 0.04 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.70 3nal s ASP 373 Cb -0.08 1.73 0.00 0.00 -0.30 0.00 0.00 42.92 44.27 3nal s ASP 373 CO 0.00 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 3nal n GLY 374 N 5.31 3.54 0.75 2.66 0.00 -1.26 -0.08 105.19 116.11 3nal n GLY 374 Ca -0.07 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3nal n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nal n ASP 375 N 4.72 2.34 -4.83 1.61 8.00 -1.26 -4.89 116.55 122.25 3nal n ASP 375 Ca 0.00 -1.78 -0.33 0.00 0.71 0.00 0.00 54.79 53.39 3nal n ASP 375 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 3nal n ASP 375 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3nal s PHE 376 N -1.98 3.33 -0.14 1.24 0.08 0.89 -4.91 117.98 116.49 3nal s PHE 376 Ca 0.33 1.56 -0.29 0.00 0.12 0.00 0.00 56.93 58.65 3nal s PHE 376 Cb 0.20 -2.85 0.09 0.00 -0.57 0.00 0.00 43.02 39.90 3nal s PHE 376 CO 0.31 -0.25 0.79 0.00 -0.10 0.00 0.00 175.22 175.98 3nal s SER 378 N -0.72 -0.34 0.66 0.00 1.04 0.27 -4.98 113.70 109.63 3nal s SER 378 Ca -0.05 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.08 3nal s SER 378 Cb -0.02 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.79 3nal s SER 378 CO 0.05 -0.18 0.91 -0.76 0.98 0.00 0.00 173.24 174.24 3nal s LEU 379 N 1.39 3.06 -0.44 2.42 1.02 -1.26 -0.66 118.68 124.22 3nal s LEU 379 Ca -0.09 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 53.72 3nal s LEU 379 Cb -0.10 -2.03 0.30 0.00 0.02 0.00 0.00 46.19 44.39 3nal s LEU 379 CO -0.10 -1.63 0.69 -3.20 0.02 0.00 0.00 176.35 172.13 3nal n ASN 380 N -2.61 1.44 -4.72 2.29 5.15 -0.23 -4.53 115.26 112.05 3nal n ASN 380 Ca 0.14 -3.04 -0.33 0.00 -0.60 0.00 0.00 54.58 50.75 3nal n ASN 380 Cb 0.61 -0.62 0.11 0.00 -0.53 0.00 0.00 39.78 39.34 3nal n ASN 380 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3nal s GLU 381 N -2.16 1.95 0.29 1.20 2.02 -1.26 -3.44 118.70 117.30 3nal s GLU 381 Ca 0.40 1.64 0.06 0.00 0.02 0.00 0.00 54.97 57.09 3nal s GLU 381 Cb 0.26 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.64 3nal s GLU 381 CO -0.09 -1.95 0.22 1.19 0.02 0.00 0.00 175.26 174.64 3nal n PHE 382 N -3.09 -0.54 -3.85 1.61 3.72 0.51 -4.78 117.46 111.04 3nal n PHE 382 Ca 0.13 -2.31 -0.11 0.00 -0.05 0.00 0.00 57.45 55.11 3nal n PHE 382 Cb 0.51 0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 39.16 3nal n PHE 382 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3nal s SER 383 N -2.96 0.01 0.05 4.37 1.04 -0.57 -3.42 113.70 112.22 3nal s SER 383 Ca 0.31 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.48 3nal s SER 383 Cb 0.01 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3nal s SER 383 CO 0.22 -0.49 -0.08 -0.63 0.98 0.00 0.00 173.24 173.24 3nal s ILE 384 N -2.08 0.60 0.22 -1.02 1.09 0.51 -0.93 121.20 119.59 3nal s ILE 384 Ca -0.09 -1.20 0.10 0.00 -1.10 0.00 0.00 60.65 58.36 3nal s ILE 384 Cb -0.03 -0.77 -0.04 0.00 -1.06 0.00 0.00 42.46 40.55 3nal s ILE 384 CO -0.01 -0.43 -0.08 0.42 -0.10 0.00 0.00 174.94 174.73 3nal s THR 385 N -1.64 3.16 0.00 2.92 -4.23 -0.68 -4.68 115.64 110.49 3nal s THR 385 Ca -0.07 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3nal s THR 385 Cb -0.08 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3nal s THR 385 CO -0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3nal n GLY 386 N -0.35 2.34 0.10 3.99 0.00 -1.26 -4.03 105.19 105.97 3nal n GLY 386 Ca -0.09 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 44.86 3nal n GLY 386 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nal n SER 387 N 0.00 1.05 -4.93 1.61 3.41 -1.26 -4.81 113.62 108.69 3nal n SER 387 Ca 0.00 -1.02 -0.25 0.00 -0.26 0.00 0.00 58.87 57.33 3nal n SER 387 Cb 0.00 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 3nal n SER 387 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3nal s THR 388 N -2.54 4.60 -1.84 6.66 2.01 -1.26 -4.72 115.64 118.56 3nal s THR 388 Ca 0.09 -0.19 0.22 0.00 0.31 0.00 0.00 61.69 62.12 3nal s THR 388 Cb 0.14 -3.72 0.56 0.00 0.01 0.00 0.00 72.50 69.48 3nal s THR 388 CO 0.67 -0.60 1.71 -1.22 -0.69 0.00 0.00 174.62 174.49 3nal n TYR 389 N -2.11 0.00 -1.93 4.92 4.01 -1.26 -4.77 117.16 116.01 3nal n TYR 389 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3nal n TYR 389 Cb 0.56 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.49 3nal n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nal s ALA 390 N -2.16 3.71 -1.02 -0.72 0.00 -1.26 -4.81 121.76 115.49 3nal s ALA 390 Ca 0.30 1.41 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 3nal s ALA 390 Cb 0.15 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 3nal s ALA 390 CO 0.28 -0.81 2.38 -2.30 0.00 0.00 0.00 175.76 175.30 3nal n PRO 391 N 2.82 2.44 -3.58 0.00 -0.02 -1.26 -4.76 135.00 130.64 3nal n PRO 391 Ca 0.09 -1.58 -0.24 0.00 -2.02 0.00 0.00 63.50 59.75 3nal n PRO 391 Cb 0.39 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 3nal n PRO 391 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3nal s GLU 392 N 2.93 0.10 0.00 -0.52 2.02 -1.26 -4.83 118.70 117.13 3nal s GLU 392 Ca 0.48 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.44 3nal s GLU 392 Cb 0.13 -1.66 0.00 0.00 0.10 0.00 0.00 34.13 32.70 3nal s GLU 392 CO -0.04 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 174.97 3nal n GLY 393 N 5.29 -1.34 3.06 -1.39 0.00 -1.26 -4.39 105.19 105.16 3nal n GLY 393 Ca -0.07 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3nal n GLY 393 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3nal s GLU 394 N -1.58 0.53 0.01 1.61 -1.05 -1.26 -4.92 118.70 112.04 3nal s GLU 394 Ca 0.00 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 53.90 3nal s GLU 394 Cb 0.00 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 3nal s GLU 394 CO 0.00 -0.03 0.17 0.08 0.95 0.00 0.00 175.26 176.43 3nal s VAL 395 N -2.33 5.27 -0.07 1.83 1.01 -1.26 -1.69 120.40 123.16 3nal s VAL 395 Ca -0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3nal s VAL 395 Cb -0.04 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3nal s VAL 395 CO -0.03 0.28 0.18 -0.76 0.00 0.00 0.00 175.10 174.77 3nal s LEU 396 N -2.04 1.31 -0.25 3.92 1.43 -0.11 -1.61 118.68 121.33 3nal s LEU 396 Ca 0.28 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.69 3nal s LEU 396 Cb -0.13 0.62 -0.01 0.00 0.03 0.00 0.00 46.19 46.70 3nal s LEU 396 CO 0.20 -0.06 0.02 -0.75 0.23 0.00 0.00 176.35 175.99 3nal s LYS 397 N 0.10 3.39 -1.18 1.70 2.47 -0.40 -1.51 119.74 124.30 3nal s LYS 397 Ca -0.00 -0.64 -0.08 0.00 -1.56 0.00 0.00 55.97 53.69 3nal s LYS 397 Cb -0.01 -3.19 -0.02 0.00 -1.46 0.00 0.00 37.83 33.15 3nal s LYS 397 CO 0.00 -0.26 0.80 0.09 0.16 0.00 0.00 175.35 176.15 3nal n ASN 398 N 4.85 -3.82 0.00 1.43 3.02 -1.26 -1.75 115.26 117.73 3nal n ASN 398 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3nal n ASN 398 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3nal n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3nal n ASP 399 N -3.00 0.00 -4.62 6.41 8.00 -1.26 -4.91 116.55 117.17 3nal n ASP 399 Ca -0.18 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 3nal n ASP 399 Cb 0.64 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.13 3nal n ASP 399 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3nal s LYS 400 N -0.28 4.06 0.90 -1.24 1.02 -0.72 -4.92 119.74 118.57 3nal s LYS 400 Ca 0.00 0.49 -0.15 0.00 0.02 0.00 0.00 55.97 56.33 3nal s LYS 400 Cb 0.00 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 3nal s LYS 400 CO 0.00 -0.45 -0.04 -0.35 -0.92 0.00 0.00 175.35 173.59 3nal n PRO 401 N 5.75 -0.08 -3.67 -1.68 -0.04 -1.26 -1.27 135.00 132.75 3nal n PRO 401 Ca -0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 3nal n PRO 401 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 3nal n PRO 401 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3nal s ILE 402 N -2.15 0.07 -0.38 0.52 1.01 -0.64 -4.70 121.20 114.94 3nal s ILE 402 Ca 0.52 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 3nal s ILE 402 Cb -0.24 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3nal s ILE 402 CO 0.71 -0.32 0.21 -0.13 0.00 0.00 0.00 174.94 175.42 3nal s ARG 403 N -3.13 2.86 0.49 2.79 0.52 -1.26 -4.54 118.95 116.68 3nal s ARG 403 Ca -0.01 -1.06 0.28 0.00 -0.52 0.00 0.00 55.73 54.42 3nal s ARG 403 Cb 0.01 -3.75 1.35 0.00 0.52 0.00 0.00 34.95 33.07 3nal s ARG 403 CO -0.07 -0.69 1.83 0.77 0.02 0.00 0.00 175.30 177.16 3nal h SER 404 N 8.45 0.18 -0.84 0.23 0.02 -1.90 -2.39 113.55 117.30 3nal h SER 404 Ca -0.26 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 3nal h SER 404 Cb 1.11 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 3nal h SER 404 CO 0.67 0.04 0.44 1.23 -1.14 0.00 0.00 176.83 178.07 3nal h GLY 405 N 0.16 1.35 0.96 -3.77 0.00 -1.82 -1.23 103.07 98.72 3nal h GLY 405 Ca 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3nal h GLY 405 CO -0.11 -0.01 0.07 -1.06 0.00 0.00 0.00 176.54 175.44 3nal n GLN 406 N -4.85 0.00 -4.79 4.80 6.02 -0.90 -4.28 117.38 113.37 3nal n GLN 406 Ca 0.16 0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 57.02 3nal n GLN 406 Cb 0.40 -1.57 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 3nal n GLN 406 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3nal s PHE 407 N -2.10 1.90 0.05 1.08 0.08 -0.46 -5.00 117.98 113.51 3nal s PHE 407 Ca 0.00 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.34 3nal s PHE 407 Cb 0.00 -1.33 -0.24 0.00 -0.57 0.00 0.00 43.02 40.88 3nal s PHE 407 CO 0.00 -0.35 1.00 -0.44 -0.10 0.00 0.00 175.22 175.34 3nal h ASP 408 N 6.93 0.12 -0.28 1.36 3.32 -1.77 -2.93 116.42 123.17 3nal h ASP 408 Ca -0.27 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 56.68 3nal h ASP 408 Cb 1.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3nal h ASP 408 CO 0.47 1.14 0.19 1.23 -1.72 0.00 0.00 179.24 180.56 3nal h GLY 409 N 2.71 0.13 1.55 2.75 0.00 -1.90 0.03 103.07 108.33 3nal h GLY 409 Ca -0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3nal h GLY 409 CO 0.13 0.03 -0.92 1.41 0.00 0.00 0.00 176.54 177.19 3nal h LEU 410 N 0.10 0.00 -0.89 3.11 3.38 -1.84 -2.40 115.31 116.77 3nal h LEU 410 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3nal h LEU 410 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3nal h LEU 410 CO -0.01 0.54 0.40 -0.37 0.09 0.00 0.00 178.44 179.09 3nal h VAL 411 N 0.00 1.26 0.21 1.22 -1.51 -0.81 -1.81 116.25 114.81 3nal h VAL 411 Ca -0.07 -0.72 -0.28 0.00 -1.23 0.00 0.00 66.70 64.39 3nal h VAL 411 Cb 1.48 0.19 0.03 0.00 -2.13 0.00 0.00 31.29 30.86 3nal h VAL 411 CO 0.06 0.31 -1.24 -0.08 -1.23 0.00 0.00 177.57 175.39 3nal h GLU 412 N 1.19 0.46 -0.71 5.19 4.81 -1.46 -2.39 114.58 121.68 3nal h GLU 412 Ca 0.29 -0.78 0.12 0.00 -0.13 0.00 0.00 59.36 58.86 3nal h GLU 412 Cb 0.12 0.29 -0.09 0.00 0.63 0.00 0.00 28.75 29.70 3nal h GLU 412 CO -0.04 1.37 0.28 1.25 -0.73 0.00 0.00 179.01 181.15 3nal h LEU 413 N -0.04 0.28 -0.26 1.64 6.46 -1.32 0.16 115.31 122.23 3nal h LEU 413 Ca -0.22 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3nal h LEU 413 Cb 1.98 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.97 3nal h LEU 413 CO 0.23 0.13 0.08 0.00 -0.62 0.00 0.00 178.44 178.27 3nal h ALA 414 N 1.50 0.34 -0.49 1.25 0.00 -1.36 -1.45 119.26 119.04 3nal h ALA 414 Ca 0.37 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3nal h ALA 414 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3nal h ALA 414 CO -0.36 -0.03 0.29 1.79 0.00 0.00 0.00 179.25 180.93 3nal h THR 415 N 0.26 1.04 -0.60 0.00 1.35 -0.65 -0.31 112.91 114.00 3nal h THR 415 Ca 0.08 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 65.78 3nal h THR 415 Cb 0.23 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.03 3nal h THR 415 CO -0.00 0.10 0.37 0.40 -0.25 0.00 0.00 175.52 176.14 3nal h ILE 416 N 0.57 1.07 -0.01 6.82 2.04 -0.61 -0.22 117.51 127.16 3nal h ILE 416 Ca 0.20 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3nal h ILE 416 Cb 0.03 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3nal h ILE 416 CO -0.10 0.13 -0.06 0.00 0.00 0.00 0.00 178.15 178.13 3nal h ALA 418 N 1.93 0.69 0.05 0.00 0.00 -0.19 -3.41 119.26 118.33 3nal h ALA 418 Ca 0.00 -1.40 -0.23 0.00 0.00 0.00 0.00 54.91 53.28 3nal h ALA 418 Cb 0.12 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3nal h ALA 418 CO 0.01 1.52 -1.23 -0.07 0.00 0.00 0.00 179.25 179.48 3nal h LEU 419 N 0.01 0.17 -7.77 0.00 3.38 -0.97 -3.39 115.31 106.74 3nal h LEU 419 Ca -0.27 -0.74 -0.72 0.00 0.09 0.00 0.00 57.88 56.25 3nal h LEU 419 Cb 2.00 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.55 3nal h LEU 419 CO 0.09 1.51 1.70 0.00 0.09 0.00 0.00 178.44 181.83 3nal s ASN 421 N 3.37 -0.65 0.00 0.00 3.84 -1.26 -4.76 114.94 115.48 3nal s ASN 421 Ca 0.47 0.66 0.26 0.00 0.21 0.00 0.00 52.86 54.47 3nal s ASN 421 Cb -0.00 1.65 0.77 0.00 -0.55 0.00 0.00 41.25 43.12 3nal s ASN 421 CO 0.03 -0.12 1.58 0.47 -2.79 0.00 0.00 177.10 176.27 3nal n ASP 422 N 5.20 0.66 -5.02 -4.21 8.00 -1.26 -4.94 116.55 114.97 3nal n ASP 422 Ca -0.07 -0.49 -0.20 0.00 0.71 0.00 0.00 54.79 54.73 3nal n ASP 422 Cb 0.53 0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.78 3nal n ASP 422 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3nal s SER 423 N -2.73 5.07 0.16 -2.24 0.01 -1.26 -4.81 113.70 107.90 3nal s SER 423 Ca 0.19 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.47 3nal s SER 423 Cb 0.19 0.28 0.04 0.00 0.21 0.00 0.00 66.02 66.74 3nal s SER 423 CO 0.58 -1.30 0.53 -1.54 0.41 0.00 0.00 173.24 171.93 3nal n SER 424 N -2.18 -1.14 -4.62 2.44 3.41 -1.26 -4.83 113.62 105.44 3nal n SER 424 Ca 0.14 -1.69 -0.26 0.00 -0.26 0.00 0.00 58.87 56.80 3nal n SER 424 Cb 0.62 1.87 -0.09 0.00 -0.26 0.00 0.00 64.21 66.34 3nal n SER 424 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3nal s LEU 425 N 0.00 2.92 -0.28 1.04 1.43 -1.26 -0.69 118.68 121.84 3nal s LEU 425 Ca 0.11 -1.13 -0.24 0.00 -1.03 0.00 0.00 54.13 51.85 3nal s LEU 425 Cb -0.02 -1.19 0.09 0.00 0.03 0.00 0.00 46.19 45.10 3nal s LEU 425 CO 0.05 -0.31 0.82 -0.62 0.23 0.00 0.00 176.35 176.52 3nal s ASP 426 N -3.71 -0.66 -0.06 2.29 2.15 -1.08 -4.76 116.67 110.83 3nal s ASP 426 Ca 0.35 1.25 -0.02 0.00 0.43 0.00 0.00 52.55 54.57 3nal s ASP 426 Cb 0.03 1.27 -0.03 0.00 -0.30 0.00 0.00 42.92 43.89 3nal s ASP 426 CO 0.19 -0.21 0.02 0.12 -0.17 0.00 0.00 175.17 175.12 3nal s PHE 427 N 0.47 3.20 0.15 -5.34 5.36 -1.26 -0.26 117.98 120.31 3nal s PHE 427 Ca -0.00 0.21 0.10 0.00 -0.96 0.00 0.00 56.93 56.28 3nal s PHE 427 Cb -0.05 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 3nal s PHE 427 CO -0.04 0.50 -0.24 0.54 -1.46 0.00 0.00 175.22 174.53 3nal s ASN 428 N -1.11 3.13 0.02 6.13 6.03 -1.12 -4.91 114.94 123.11 3nal s ASN 428 Ca 0.16 -0.79 0.12 0.00 -1.03 0.00 0.00 52.86 51.32 3nal s ASN 428 Cb -0.11 -0.21 -0.19 0.00 -3.03 0.00 0.00 41.25 37.70 3nal s ASN 428 CO 0.05 0.11 0.85 -0.33 -2.03 0.00 0.00 177.10 175.76 3nal h GLU 429 N 3.64 0.00 -0.56 3.55 3.07 -1.96 -2.23 114.58 120.09 3nal h GLU 429 Ca -0.48 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.49 3nal h GLU 429 Cb 1.19 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.99 3nal h GLU 429 CO 0.43 0.56 -0.31 1.15 -1.40 0.00 0.00 179.01 179.44 3nal h THR 430 N 0.00 0.20 -0.03 1.13 2.02 -1.97 -3.11 112.91 111.16 3nal h THR 430 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3nal h THR 430 Cb 1.86 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3nal h THR 430 CO 0.08 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.26 3nal n LYS 431 N -5.43 0.57 -2.00 6.66 5.02 -1.26 -5.01 118.16 116.71 3nal n LYS 431 Ca 0.04 -0.97 -0.17 0.00 -2.02 0.00 0.00 58.31 55.19 3nal n LYS 431 Cb 0.35 -1.05 -0.04 0.00 -0.02 0.00 0.00 35.03 34.27 3nal n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3nal n GLY 432 N -0.02 0.47 3.67 0.72 0.00 -0.84 -4.97 105.19 104.22 3nal n GLY 432 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3nal n GLY 432 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nal s VAL 433 N -2.68 3.64 -0.24 1.61 1.01 -1.24 -4.93 120.40 117.57 3nal s VAL 433 Ca 0.00 -1.71 -0.18 0.00 0.00 0.00 0.00 61.98 60.09 3nal s VAL 433 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3nal s VAL 433 CO 0.00 -0.29 0.50 -0.31 0.00 0.00 0.00 175.10 175.00 3nal s TYR 434 N -2.12 3.30 -0.08 5.22 2.02 -1.26 -2.80 117.35 121.63 3nal s TYR 434 Ca 0.30 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.67 3nal s TYR 434 Cb -0.07 -2.69 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 3nal s TYR 434 CO 0.20 -0.21 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.68 3nal s GLU 435 N 2.04 2.86 0.13 -0.62 2.02 0.64 -4.70 118.70 121.07 3nal s GLU 435 Ca 0.22 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.32 3nal s GLU 435 Cb -0.15 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.37 3nal s GLU 435 CO 0.09 0.58 1.80 0.21 0.02 0.00 0.00 175.26 177.96 3nal s LYS 436 N -0.60 4.14 0.00 1.61 2.20 -1.26 -2.64 119.74 123.20 3nal s LYS 436 Ca 0.09 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 3nal s LYS 436 Cb -0.12 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 3nal s LYS 436 CO 0.02 -0.82 0.00 0.28 -0.36 0.00 0.00 175.35 174.47 3nal n VAL 437 N 4.65 0.00 0.00 4.02 0.31 0.13 -4.96 118.33 122.47 3nal n VAL 437 Ca 0.17 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 3nal n VAL 437 Cb 0.38 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3nal n VAL 437 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nal n GLY 438 N 1.86 1.01 3.85 2.92 0.00 -1.24 -4.87 105.19 108.71 3nal n GLY 438 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3nal n GLY 438 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nal s GLU 439 N 0.00 3.03 0.11 1.61 2.12 -1.26 -4.97 118.70 119.34 3nal s GLU 439 Ca 0.00 -0.97 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 3nal s GLU 439 Cb 0.00 -2.64 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 3nal s GLU 439 CO 0.00 0.42 1.61 0.00 -0.54 0.00 0.00 175.26 176.75 3nal h ALA 440 N 1.56 0.39 0.00 6.30 0.00 -1.95 0.49 119.26 126.05 3nal h ALA 440 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3nal h ALA 440 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3nal h ALA 440 CO 0.61 0.04 0.00 1.79 0.00 0.00 0.00 179.25 181.69 3nal h THR 441 N 0.32 0.00 0.07 0.00 1.35 -1.96 -2.65 112.91 110.03 3nal h THR 441 Ca 0.09 -0.60 -0.37 0.00 -0.55 0.00 0.00 66.41 64.99 3nal h THR 441 Cb 0.26 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 3nal h THR 441 CO -0.00 0.00 -2.16 -0.62 -0.25 0.00 0.00 175.52 172.49 3nal n GLU 442 N -2.71 0.71 0.29 4.72 1.02 -1.13 -3.65 120.64 119.88 3nal n GLU 442 Ca 0.03 0.21 0.19 0.00 -0.02 0.00 0.00 57.16 57.58 3nal n GLU 442 Cb 0.39 -1.64 0.96 0.00 -0.02 0.00 0.00 31.44 31.13 3nal n GLU 442 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nal h THR 443 N 0.04 0.00 0.07 2.62 1.03 -0.02 -0.07 112.91 116.58 3nal h THR 443 Ca -0.47 -0.14 -0.25 0.00 -0.01 0.00 0.00 66.41 65.54 3nal h THR 443 Cb 2.00 1.05 -0.00 0.00 -1.07 0.00 0.00 68.15 70.13 3nal h THR 443 CO 0.03 0.00 -1.10 0.00 -0.01 0.00 0.00 175.52 174.44 3nal h ALA 444 N 2.02 0.24 -0.38 0.00 0.00 -1.58 -3.04 119.26 116.53 3nal h ALA 444 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 54.91 53.94 3nal h ALA 444 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nal h ALA 444 CO 0.00 0.95 -0.35 -0.07 0.00 0.00 0.00 179.25 179.78 3nal h LEU 445 N 0.11 0.91 -0.99 0.00 3.38 -1.09 0.51 115.31 118.14 3nal h LEU 445 Ca -0.10 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3nal h LEU 445 Cb 1.79 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3nal h LEU 445 CO 0.18 1.17 0.10 0.71 0.09 0.00 0.00 178.44 180.69 3nal h THR 446 N 0.72 1.23 -0.35 0.22 1.35 -1.50 -1.64 112.91 112.94 3nal h THR 446 Ca 0.07 -0.86 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 3nal h THR 446 Cb 0.92 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3nal h THR 446 CO 0.08 0.32 0.14 0.74 -0.25 0.00 0.00 175.52 176.56 3nal h THR 447 N 0.80 1.18 -0.65 6.82 2.02 -1.30 -2.54 112.91 119.24 3nal h THR 447 Ca 0.17 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.88 3nal h THR 447 Cb 0.33 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 3nal h THR 447 CO 0.00 0.20 0.31 0.25 0.37 0.00 0.00 175.52 176.65 3nal h LEU 448 N 0.42 0.40 -0.60 2.58 5.85 -0.46 -1.93 115.31 121.56 3nal h LEU 448 Ca 0.12 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3nal h LEU 448 Cb 0.17 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3nal h LEU 448 CO -0.01 0.24 0.20 0.58 -0.34 0.00 0.00 178.44 179.10 3nal h VAL 449 N 0.55 0.73 -0.48 1.05 2.07 -0.92 -1.32 116.25 117.92 3nal h VAL 449 Ca 0.32 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 3nal h VAL 449 Cb 0.32 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3nal h VAL 449 CO -0.26 0.07 0.10 -0.33 0.02 0.00 0.00 177.57 177.18 3nal h GLU 450 N 0.36 0.74 0.00 1.57 4.39 -1.00 -2.47 114.58 118.16 3nal h GLU 450 Ca 0.31 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3nal h GLU 450 Cb 0.41 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3nal h GLU 450 CO -0.33 0.68 0.00 1.63 -1.16 0.00 0.00 179.01 179.83 3nal n LYS 451 N -4.28 0.84 -0.67 2.33 5.02 -0.52 -3.47 118.16 117.41 3nal n LYS 451 Ca 0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3nal n LYS 451 Cb 0.22 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3nal n LYS 451 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3nal n MET 452 N -0.94 0.00 -0.37 1.97 0.00 -0.99 -4.47 117.12 112.31 3nal n MET 452 Ca 0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 57.70 56.77 3nal n MET 452 Cb 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 33.22 32.91 3nal n MET 452 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3nal n ASN 453 N 0.08 -0.61 -0.47 3.17 6.94 -0.97 -4.56 115.26 118.84 3nal n ASN 453 Ca 0.01 -0.39 0.39 0.00 -0.02 0.00 0.00 54.58 54.57 3nal n ASN 453 Cb 0.76 -0.19 0.60 0.00 -2.36 0.00 0.00 39.78 38.59 3nal n ASN 453 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3nal n VAL 454 N 1.57 0.00 1.06 3.53 0.31 -1.26 -0.11 118.33 123.44 3nal n VAL 454 Ca 0.06 1.24 0.11 0.00 -0.01 0.00 0.00 64.34 65.75 3nal n VAL 454 Cb 0.13 -2.12 0.09 0.00 -0.91 0.00 0.00 33.84 31.03 3nal n VAL 454 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3nal n PHE 455 N -3.44 0.00 -1.01 3.52 3.72 -1.26 -3.52 117.46 115.47 3nal n PHE 455 Ca 0.33 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.72 3nal n PHE 455 Cb 1.63 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 40.13 3nal n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3nal n ASN 456 N -0.39 -4.17 -4.63 4.37 3.02 0.84 -4.94 115.26 109.36 3nal n ASN 456 Ca 0.09 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.13 3nal n ASN 456 Cb 0.42 -1.69 -0.06 0.00 -0.61 0.00 0.00 39.78 37.84 3nal n ASN 456 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3nal n THR 457 N -2.61 0.09 -1.66 3.41 -2.24 -1.26 -4.87 114.28 105.13 3nal n THR 457 Ca -0.00 -0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 3nal n THR 457 Cb 0.20 -1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 3nal n THR 457 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3nal n GLU 458 N 3.40 1.90 0.00 -0.78 -0.58 -1.26 -4.90 120.64 118.41 3nal n GLU 458 Ca 0.20 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.61 3nal n GLU 458 Cb 0.20 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 3nal n GLU 458 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3nal n VAL 459 N 1.09 0.00 0.22 2.62 3.14 -1.26 -4.83 118.33 119.31 3nal n VAL 459 Ca 0.09 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.50 3nal n VAL 459 Cb 0.33 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.24 3nal n VAL 459 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3nal n ARG 460 N -0.07 0.03 -0.94 1.45 1.85 -1.26 0.40 116.66 118.12 3nal n ARG 460 Ca 0.00 0.35 -0.12 0.00 -1.00 0.00 0.00 57.85 57.08 3nal n ARG 460 Cb 0.00 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.12 3nal n ARG 460 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3nal n ASN 461 N -1.43 4.04 -4.06 2.89 5.03 -1.26 -4.89 115.26 115.58 3nal n ASN 461 Ca 0.02 -3.17 -0.11 0.00 0.87 0.00 0.00 54.58 52.19 3nal n ASN 461 Cb 0.06 -0.74 -0.11 0.00 -1.02 0.00 0.00 39.78 37.97 3nal n ASN 461 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3nal s LEU 462 N -2.61 2.30 0.00 3.41 1.43 0.16 -5.17 118.68 118.21 3nal s LEU 462 Ca 0.47 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3nal s LEU 462 Cb 0.38 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.54 3nal s LEU 462 CO 0.10 -0.29 0.00 -1.54 0.23 0.00 0.00 176.35 174.85 3nal n SER 463 N 1.21 -0.55 0.01 2.29 3.41 -1.26 -4.82 113.62 113.91 3nal n SER 463 Ca -0.21 -0.46 0.04 0.00 -0.26 0.00 0.00 58.87 57.99 3nal n SER 463 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 3nal n SER 463 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3nal n LYS 464 N -1.00 0.64 0.20 4.33 5.02 -1.26 -1.93 118.16 124.16 3nal n LYS 464 Ca 0.00 0.03 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 3nal n LYS 464 Cb 0.00 -1.67 0.52 0.00 -0.02 0.00 0.00 35.03 33.85 3nal n LYS 464 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3nal h VAL 465 N 0.00 0.00 0.00 -0.18 2.07 -1.94 -3.12 116.25 113.08 3nal h VAL 465 Ca -0.14 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3nal h VAL 465 Cb 1.37 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3nal h VAL 465 CO 0.02 0.00 -1.35 -1.84 0.02 0.00 0.00 177.57 174.42 3nal n GLU 466 N -2.74 0.86 0.30 1.57 0.28 -1.25 -4.42 120.64 115.23 3nal n GLU 466 Ca 0.02 -0.05 0.17 0.00 -0.16 0.00 0.00 57.16 57.14 3nal n GLU 466 Cb 0.33 -1.17 0.92 0.00 1.43 0.00 0.00 31.44 32.96 3nal n GLU 466 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3nal h ARG 467 N 0.00 0.00 0.00 3.44 9.65 -1.34 -3.20 114.38 122.93 3nal h ARG 467 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3nal h ARG 467 Cb 0.57 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3nal h ARG 467 CO 0.00 0.04 0.00 0.00 2.80 0.00 0.00 179.97 182.81 3nal n ALA 468 N -2.21 -0.13 -1.96 2.80 0.00 -1.18 -3.60 120.51 114.22 3nal n ALA 468 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 3nal n ALA 468 Cb 0.16 0.23 0.04 0.00 0.00 0.00 0.00 19.45 19.87 3nal n ALA 468 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3nal n ASN 469 N -1.85 6.62 0.01 0.00 3.02 -1.23 -4.83 115.26 117.00 3nal n ASN 469 Ca 0.00 -3.79 -0.01 0.00 -0.03 0.00 0.00 54.58 50.75 3nal n ASN 469 Cb 0.00 -0.83 -0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3nal n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nal h ALA 470 N 2.64 -0.13 0.00 5.41 0.00 -1.61 -2.98 119.26 122.58 3nal h ALA 470 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3nal h ALA 470 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3nal h ALA 470 CO 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.38 3nal h ASN 472 N 0.00 0.15 0.11 0.00 2.35 -1.90 -3.32 115.58 112.96 3nal h ASN 472 Ca 0.00 -0.85 -0.00 0.00 -0.55 0.00 0.00 56.30 54.90 3nal h ASN 472 Cb 0.19 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3nal h ASN 472 CO 0.00 1.30 -0.01 0.77 -1.65 0.00 0.00 177.43 177.84 3nal h SER 473 N -0.77 0.00 0.01 5.81 4.64 -1.34 -1.45 113.55 120.46 3nal h SER 473 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3nal h SER 473 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3nal h SER 473 CO -0.01 0.01 -0.01 -0.37 -0.87 0.00 0.00 176.83 175.58 3nal h VAL 474 N 0.00 1.25 0.00 0.95 -1.51 -1.64 -2.13 116.25 113.17 3nal h VAL 474 Ca -0.00 -0.81 -0.03 0.00 -1.23 0.00 0.00 66.70 64.63 3nal h VAL 474 Cb 0.07 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 3nal h VAL 474 CO 0.00 0.21 -0.17 0.40 -1.23 0.00 0.00 177.57 176.78 3nal h ILE 475 N -0.37 0.80 -0.01 7.19 2.04 -1.45 -2.04 117.51 123.68 3nal h ILE 475 Ca -0.00 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 3nal h ILE 475 Cb 0.35 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3nal h ILE 475 CO 0.00 0.16 -0.45 0.03 0.00 0.00 0.00 178.15 177.90 3nal h ARG 476 N 0.00 0.02 -0.28 2.37 3.08 -0.90 -2.72 114.38 115.94 3nal h ARG 476 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3nal h ARG 476 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3nal h ARG 476 CO 0.02 0.46 0.00 1.04 -1.07 0.00 0.00 179.97 180.42 3nal n GLN 477 N -4.00 2.15 0.04 0.04 6.02 -0.79 -3.87 117.38 116.96 3nal n GLN 477 Ca -0.02 -1.73 0.09 0.00 -0.01 0.00 0.00 57.00 55.34 3nal n GLN 477 Cb 0.47 -1.46 -0.09 0.00 1.02 0.00 0.00 30.24 30.19 3nal n GLN 477 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3nal n LEU 478 N 0.95 0.43 -4.23 1.08 0.00 -1.03 -4.81 117.00 109.39 3nal n LEU 478 Ca 0.18 0.17 -0.13 0.00 0.00 0.00 0.00 56.01 56.23 3nal n LEU 478 Cb 0.48 0.01 -0.10 0.00 0.00 0.00 0.00 43.42 43.81 3nal n LEU 478 CO 0.14 -0.04 -0.34 -0.04 0.00 0.00 0.00 177.39 177.11 3nal s MET 479 N -3.34 1.06 -0.30 1.96 -1.94 -1.21 -3.92 119.30 111.61 3nal s MET 479 Ca -0.05 -1.49 0.03 0.00 -1.71 0.00 0.00 55.69 52.47 3nal s MET 479 Cb 0.11 -0.27 0.08 0.00 2.01 0.00 0.00 34.83 36.77 3nal s MET 479 CO 0.85 -0.10 -0.01 0.21 -0.01 0.00 0.00 175.02 175.96 3nal s LYS 480 N -3.90 1.66 -0.45 2.03 2.20 0.14 -4.74 119.74 116.69 3nal s LYS 480 Ca 0.21 -1.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.03 3nal s LYS 480 Cb 0.06 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 3nal s LYS 480 CO 0.02 -0.79 2.07 0.21 -0.36 0.00 0.00 175.35 176.50 3nal s LYS 481 N 1.09 2.70 0.00 4.03 2.20 -1.26 -0.38 119.74 128.13 3nal s LYS 481 Ca 0.03 1.26 -0.24 0.00 -0.36 0.00 0.00 55.97 56.65 3nal s LYS 481 Cb -0.19 -4.40 -0.13 0.00 -1.51 0.00 0.00 37.83 31.59 3nal s LYS 481 CO -0.08 -2.60 1.01 0.93 -0.36 0.00 0.00 175.35 174.24 3nal h GLU 482 N 15.91 -0.83 -3.11 4.03 4.39 -1.08 -3.48 114.58 130.42 3nal h GLU 482 Ca -0.29 0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.47 3nal h GLU 482 Cb 1.21 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.95 3nal h GLU 482 CO 1.12 -0.55 0.15 -0.59 -1.16 0.00 0.00 179.01 177.98 3nal s PHE 483 N -4.38 -0.29 -0.07 4.33 -0.12 -0.93 -5.02 117.98 111.49 3nal s PHE 483 Ca -0.13 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 3nal s PHE 483 Cb 0.01 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 3nal s PHE 483 CO 0.39 -0.98 -0.18 0.95 -0.05 0.00 0.00 175.22 175.34 3nal s THR 484 N -3.84 1.57 -0.70 -4.49 -4.23 -1.26 -0.41 115.64 102.28 3nal s THR 484 Ca 0.07 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 59.62 3nal s THR 484 Cb -0.02 -1.37 0.09 0.00 1.34 0.00 0.00 72.50 72.54 3nal s THR 484 CO -0.04 0.45 0.92 -0.76 -0.54 0.00 0.00 174.62 174.65 3nal s LEU 485 N 0.32 4.85 0.89 4.79 1.43 0.33 -4.97 118.68 126.31 3nal s LEU 485 Ca -0.12 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.49 3nal s LEU 485 Cb -0.15 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.74 3nal s LEU 485 CO 0.05 -1.26 0.63 -1.84 0.23 0.00 0.00 176.35 174.16 3nal n GLU 486 N 7.02 -0.15 -1.94 1.70 0.00 -1.26 -2.00 120.64 124.01 3nal n GLU 486 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.79 3nal n GLU 486 Cb 0.45 -2.00 0.02 0.00 0.00 0.00 0.00 31.44 29.92 3nal n GLU 486 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3nal s PHE 487 N -2.31 2.51 -0.12 -1.84 5.36 -1.26 -4.72 117.98 115.61 3nal s PHE 487 Ca 0.62 1.41 -0.10 0.00 -0.96 0.00 0.00 56.93 57.90 3nal s PHE 487 Cb -0.25 -3.68 0.03 0.00 -0.34 0.00 0.00 43.02 38.79 3nal s PHE 487 CO 0.62 -2.44 0.31 -1.54 -1.46 0.00 0.00 175.22 170.72 3nal s SER 488 N -1.01 -0.33 0.39 6.13 1.04 -1.23 -5.01 113.70 113.67 3nal s SER 488 Ca 0.67 0.64 0.28 0.00 0.48 0.00 0.00 55.95 58.02 3nal s SER 488 Cb -0.37 0.62 1.29 0.00 0.10 0.00 0.00 66.02 67.66 3nal s SER 488 CO 0.45 -0.12 1.84 0.03 0.98 0.00 0.00 173.24 176.41 3nal h ARG 489 N 5.93 0.00 0.20 4.02 3.08 -1.96 0.68 114.38 126.33 3nal h ARG 489 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3nal h ARG 489 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3nal h ARG 489 CO 0.32 0.00 -0.10 0.38 -1.07 0.00 0.00 179.97 179.50 3nal h ASP 490 N 0.00 -0.23 0.33 7.04 2.03 -1.97 -3.25 116.42 120.36 3nal h ASP 490 Ca 0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 3nal h ASP 490 Cb 0.26 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3nal h ASP 490 CO 0.00 0.08 -0.54 -2.11 -1.03 0.00 0.00 179.24 175.65 3nal n ARG 491 N -5.08 0.24 -3.80 4.15 1.85 -1.12 -4.98 116.66 107.91 3nal n ARG 491 Ca -0.09 -0.16 -0.25 0.00 -1.00 0.00 0.00 57.85 56.36 3nal n ARG 491 Cb 0.22 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.16 3nal n ARG 491 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3nal n LYS 492 N -1.24 -4.87 -3.75 2.89 4.76 0.21 -4.77 118.16 111.40 3nal n LYS 492 Ca 0.07 0.58 -0.01 0.00 -2.87 0.00 0.00 58.31 56.08 3nal n LYS 492 Cb 0.34 -5.19 -0.00 0.00 -1.84 0.00 0.00 35.03 28.35 3nal n LYS 492 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3nal s SER 493 N -4.05 -0.08 0.07 4.39 1.04 -1.25 -1.37 113.70 112.45 3nal s SER 493 Ca 0.21 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.22 3nal s SER 493 Cb -0.10 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3nal s SER 493 CO 0.83 -0.63 0.18 0.00 0.98 0.00 0.00 173.24 174.60 3nal s MET 494 N -2.66 0.78 0.32 4.02 0.23 -0.80 -3.48 119.30 117.72 3nal s MET 494 Ca 0.16 -0.85 -0.03 0.00 -1.03 0.00 0.00 55.69 53.94 3nal s MET 494 Cb 0.01 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.62 3nal s MET 494 CO 0.00 -0.24 0.43 -1.54 -2.03 0.00 0.00 175.02 171.65 3nal s SER 495 N -2.58 0.76 -0.10 -1.18 1.04 -0.85 -1.67 113.70 109.12 3nal s SER 495 Ca 0.01 -1.42 -0.08 0.00 0.48 0.00 0.00 55.95 54.94 3nal s SER 495 Cb 0.03 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3nal s SER 495 CO -0.08 -1.22 0.26 0.68 0.98 0.00 0.00 173.24 173.86 3nal s VAL 496 N -3.31 -0.01 -0.43 5.02 -7.23 -0.97 -0.52 120.40 112.96 3nal s VAL 496 Ca 0.31 0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.36 3nal s VAL 496 Cb 0.00 -0.37 0.04 0.00 0.56 0.00 0.00 36.38 36.61 3nal s VAL 496 CO 0.18 0.01 0.33 -0.47 -0.31 0.00 0.00 175.10 174.84 3nal s TYR 497 N 0.36 3.24 0.25 2.82 5.04 0.45 -0.76 117.35 128.76 3nal s TYR 497 Ca -0.02 -0.74 0.08 0.00 -2.44 0.00 0.00 57.07 53.96 3nal s TYR 497 Cb -0.03 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.46 3nal s TYR 497 CO -0.01 -0.66 0.07 0.00 -1.34 0.00 0.00 175.55 173.60 3nal s SER 499 N -3.64 0.69 0.48 0.00 1.04 0.49 -1.83 113.70 110.92 3nal s SER 499 Ca 0.31 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.45 3nal s SER 499 Cb -0.07 -0.30 -0.11 0.00 0.10 0.00 0.00 66.02 65.64 3nal s SER 499 CO 0.22 -0.04 0.58 -2.65 0.98 0.00 0.00 173.24 172.33 3nal n PRO 500 N 3.85 0.63 -3.47 4.02 -0.02 -1.26 0.28 135.00 139.03 3nal n PRO 500 Ca -0.24 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3nal n PRO 500 Cb 0.52 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 3nal n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nal s ALA 501 N -1.55 3.67 0.07 3.55 0.00 -1.25 -4.63 121.76 121.62 3nal s ALA 501 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3nal s ALA 501 Cb -0.54 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3nal s ALA 501 CO 0.57 0.49 0.00 0.36 0.00 0.00 0.00 175.76 177.17 3nal n LYS 502 N 1.43 -0.58 0.05 0.00 2.85 -1.26 -4.48 118.16 116.18 3nal n LYS 502 Ca -0.11 0.38 0.08 0.00 -1.05 0.00 0.00 58.31 57.61 3nal n LYS 502 Cb 0.52 -0.70 -0.07 0.00 -0.65 0.00 0.00 35.03 34.13 3nal n LYS 502 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3nal n SER 503 N -4.07 0.61 -0.20 -5.58 3.41 -1.26 -3.76 113.62 102.76 3nal n SER 503 Ca 0.00 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 3nal n SER 503 Cb 0.13 0.77 0.19 0.00 -0.26 0.00 0.00 64.21 65.04 3nal n SER 503 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3nal n SER 504 N -2.63 -0.05 -0.03 4.04 2.88 -1.26 -2.92 113.62 113.65 3nal n SER 504 Ca -0.05 1.00 -0.08 0.00 -1.33 0.00 0.00 58.87 58.41 3nal n SER 504 Cb 0.65 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 3nal n SER 504 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3nal n ARG 505 N -4.72 0.19 -2.70 -1.46 1.74 -1.26 -4.99 116.66 103.46 3nal n ARG 505 Ca 0.15 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 3nal n ARG 505 Cb 0.48 -0.82 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 3nal n ARG 505 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nal n ALA 506 N -3.52 -0.55 -2.28 7.54 0.00 -1.15 -4.75 120.51 115.80 3nal n ALA 506 Ca -0.14 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 3nal n ALA 506 Cb 0.50 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3nal n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nal s ALA 507 N -1.88 2.57 0.00 0.00 0.00 -1.26 -4.14 121.76 117.05 3nal s ALA 507 Ca 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3nal s ALA 507 Cb -0.19 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.72 3nal s ALA 507 CO 0.41 -3.34 0.00 1.33 0.00 0.00 0.00 175.76 174.16 3nal n VAL 508 N 6.90 0.00 -1.31 0.00 0.24 -1.26 -4.79 118.33 118.10 3nal n VAL 508 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3nal n VAL 508 Cb 0.50 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3nal n VAL 508 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3nal n GLY 509 N -0.83 -0.27 2.06 7.63 0.00 -1.26 -4.88 105.19 107.64 3nal n GLY 509 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 3nal n GLY 509 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nal n ASN 510 N -3.77 -3.25 -4.51 1.61 3.02 -1.23 -4.92 115.26 102.21 3nal n ASN 510 Ca 0.00 0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 3nal n ASN 510 Cb 0.01 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 38.24 3nal n ASN 510 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3nal s LYS 511 N -0.79 1.84 -0.22 3.52 -0.14 -0.76 -4.26 119.74 118.94 3nal s LYS 511 Ca 0.07 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.49 3nal s LYS 511 Cb -0.01 -2.14 0.01 0.00 -1.68 0.00 0.00 37.83 34.02 3nal s LYS 511 CO 0.16 0.48 -0.10 1.41 -0.76 0.00 0.00 175.35 176.54 3nal s MET 512 N -2.22 3.03 -0.49 1.68 1.75 -0.88 -1.41 119.30 120.77 3nal s MET 512 Ca 0.19 -0.83 -0.16 0.00 -1.25 0.00 0.00 55.69 53.64 3nal s MET 512 Cb -0.10 -2.86 0.08 0.00 2.84 0.00 0.00 34.83 34.79 3nal s MET 512 CO 0.11 -0.28 0.44 -0.06 -0.65 0.00 0.00 175.02 174.58 3nal s PHE 513 N 1.36 3.23 -0.01 4.11 0.08 0.06 0.57 117.98 127.36 3nal s PHE 513 Ca 0.03 -0.97 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 3nal s PHE 513 Cb -0.15 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 3nal s PHE 513 CO -0.07 -0.87 0.07 0.14 -0.10 0.00 0.00 175.22 174.40 3nal s VAL 514 N 1.73 4.68 -0.04 -0.44 -7.23 0.27 -2.29 120.40 117.08 3nal s VAL 514 Ca 0.05 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3nal s VAL 514 Cb -0.25 -3.12 0.03 0.00 0.56 0.00 0.00 36.38 33.60 3nal s VAL 514 CO 0.06 0.38 0.07 -1.59 -0.31 0.00 0.00 175.10 173.71 3nal s LYS 515 N -1.64 0.01 0.03 4.82 -2.85 -0.67 -0.23 119.74 119.21 3nal s LYS 515 Ca 0.22 0.25 -0.05 0.00 -1.00 0.00 0.00 55.97 55.38 3nal s LYS 515 Cb -0.12 -0.22 0.02 0.00 -2.06 0.00 0.00 37.83 35.45 3nal s LYS 515 CO 0.12 -0.17 0.25 0.41 0.10 0.00 0.00 175.35 176.07 3nal n GLY 516 N 4.18 0.98 3.74 0.59 0.00 -0.87 -1.90 105.19 111.92 3nal n GLY 516 Ca -0.27 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3nal n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nal s ALA 517 N -1.24 3.71 0.18 4.61 0.00 -0.47 -1.13 121.76 127.42 3nal s ALA 517 Ca 0.06 1.45 -0.22 0.00 0.00 0.00 0.00 51.96 53.25 3nal s ALA 517 Cb -0.01 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.60 3nal s ALA 517 CO 0.01 -0.86 1.59 -1.35 0.00 0.00 0.00 175.76 175.15 3nal h PRO 518 N 5.21 -0.19 -0.35 0.00 0.11 -1.90 -2.24 132.00 132.64 3nal h PRO 518 Ca -0.46 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3nal h PRO 518 Cb 1.22 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3nal h PRO 518 CO 0.81 -0.13 -0.47 1.49 -0.21 0.00 0.00 178.00 179.49 3nal h GLU 519 N -0.20 -0.38 0.51 1.05 4.81 -1.97 0.38 114.58 118.78 3nal h GLU 519 Ca 0.21 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3nal h GLU 519 Cb 0.54 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3nal h GLU 519 CO -0.62 -0.25 -0.34 0.78 -0.73 0.00 0.00 179.01 177.85 3nal h GLY 520 N -0.39 -1.03 0.32 1.92 0.00 -1.86 -2.63 103.07 99.40 3nal h GLY 520 Ca 0.11 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.94 3nal h GLY 520 CO -0.55 -0.35 -0.06 -2.08 0.00 0.00 0.00 176.54 173.51 3nal h VAL 521 N -0.80 0.66 0.00 4.60 2.07 -1.16 -2.06 116.25 119.56 3nal h VAL 521 Ca -0.07 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3nal h VAL 521 Cb 0.65 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3nal h VAL 521 CO 0.05 0.01 -0.04 0.40 0.02 0.00 0.00 177.57 178.01 3nal h ILE 522 N 0.04 0.94 0.00 4.57 2.04 -0.28 -1.66 117.51 123.16 3nal h ILE 522 Ca 0.18 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 3nal h ILE 522 Cb 0.27 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3nal h ILE 522 CO -0.35 0.04 -0.45 0.44 0.00 0.00 0.00 178.15 177.83 3nal h ASP 523 N 0.00 0.00 -0.30 1.72 3.32 -0.98 -2.71 116.42 117.47 3nal h ASP 523 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nal h ASP 523 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3nal h ASP 523 CO 0.01 0.45 0.00 0.54 -1.72 0.00 0.00 179.24 178.52 3nal n ARG 524 N -3.94 2.23 -3.96 3.56 1.74 -0.63 -4.84 116.66 110.83 3nal n ARG 524 Ca -0.01 -1.31 -0.35 0.00 -0.77 0.00 0.00 57.85 55.41 3nal n ARG 524 Cb 0.48 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 3nal n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nal n ASN 526 N 3.66 0.96 -4.25 0.00 4.13 0.81 -4.84 115.26 115.73 3nal n ASN 526 Ca -0.16 -0.98 -0.15 0.00 1.68 0.00 0.00 54.58 54.96 3nal n ASN 526 Cb 0.52 0.63 -0.10 0.00 -1.54 0.00 0.00 39.78 39.29 3nal n ASN 526 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3nal s TYR 527 N -1.50 1.43 -0.07 3.10 2.02 -0.76 -0.56 117.35 121.02 3nal s TYR 527 Ca 0.07 -1.26 -0.03 0.00 -0.37 0.00 0.00 57.07 55.48 3nal s TYR 527 Cb 0.08 -0.79 0.04 0.00 -0.40 0.00 0.00 41.96 40.89 3nal s TYR 527 CO 0.29 -0.45 0.13 0.14 -1.57 0.00 0.00 175.55 174.08 3nal s VAL 528 N -3.87 -0.16 -0.43 0.71 -7.23 -0.19 -0.57 120.40 108.67 3nal s VAL 528 Ca 0.38 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.57 3nal s VAL 528 Cb 0.07 -0.23 0.03 0.00 0.56 0.00 0.00 36.38 36.80 3nal s VAL 528 CO 0.14 0.13 1.10 -0.60 -0.31 0.00 0.00 175.10 175.55 3nal s ARG 529 N 1.83 3.81 -0.86 4.82 3.52 0.20 -2.22 118.95 130.05 3nal s ARG 529 Ca -0.01 0.68 -0.14 0.00 -0.13 0.00 0.00 55.73 56.13 3nal s ARG 529 Cb -0.12 -3.86 0.22 0.00 -1.56 0.00 0.00 34.95 29.64 3nal s ARG 529 CO -0.05 -1.22 0.81 0.14 -0.81 0.00 0.00 175.30 174.17 3nal s VAL 530 N 4.14 5.64 0.00 7.11 -7.23 -0.25 -4.44 120.40 125.38 3nal s VAL 530 Ca 0.46 -2.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3nal s VAL 530 Cb -0.09 -4.49 0.00 0.00 0.56 0.00 0.00 36.38 32.36 3nal s VAL 530 CO 0.26 -1.05 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3nal n GLY 531 N 3.86 2.03 0.00 2.32 0.00 -1.26 -2.19 105.19 109.96 3nal n GLY 531 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3nal n GLY 531 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3nal n THR 532 N 0.00 0.00 -2.97 2.61 -1.04 -1.26 -3.00 114.28 108.63 3nal n THR 532 Ca 0.00 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.77 3nal n THR 532 Cb 0.00 0.56 0.04 0.00 -1.82 0.00 0.00 70.33 69.11 3nal n THR 532 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3nal s THR 533 N -0.26 2.51 0.05 12.58 -4.23 -0.93 -5.12 115.64 120.24 3nal s THR 533 Ca 0.00 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 3nal s THR 533 Cb 0.00 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 3nal s THR 533 CO 0.00 0.00 -0.13 -0.60 -0.54 0.00 0.00 174.62 173.35 3nal s ARG 534 N -4.59 0.80 0.02 3.99 3.52 -1.26 -1.09 118.95 120.35 3nal s ARG 534 Ca 0.59 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 55.35 3nal s ARG 534 Cb -0.08 -0.78 -0.01 0.00 -1.56 0.00 0.00 34.95 32.53 3nal s ARG 534 CO 0.37 0.18 0.07 0.08 -0.81 0.00 0.00 175.30 175.19 3nal s VAL 535 N -1.04 0.11 0.01 7.11 1.01 -0.94 -4.95 120.40 121.71 3nal s VAL 535 Ca -0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3nal s VAL 535 Cb -0.09 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 3nal s VAL 535 CO 0.01 -0.51 1.39 -2.16 0.00 0.00 0.00 175.10 173.83 3nal s PRO 536 N -1.91 4.29 0.12 2.72 0.04 -1.26 -1.02 135.00 137.97 3nal s PRO 536 Ca -0.11 1.97 -0.35 0.00 0.04 0.00 0.00 61.00 62.54 3nal s PRO 536 Cb -0.06 -3.54 -0.16 0.00 0.04 0.00 0.00 34.50 30.78 3nal s PRO 536 CO -0.02 -0.56 1.40 -0.12 0.04 0.00 0.00 177.00 177.75 3nal n MET 537 N 5.23 1.47 -4.15 4.56 0.00 0.28 -4.84 117.12 119.66 3nal n MET 537 Ca 0.13 0.53 -0.16 0.00 -0.00 0.00 0.00 57.70 58.19 3nal n MET 537 Cb 0.44 -2.20 -0.12 0.00 0.00 0.00 0.00 33.22 31.34 3nal n MET 537 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3nal s THR 538 N 0.54 0.98 0.14 1.12 -4.23 -1.26 -4.88 115.64 108.04 3nal s THR 538 Ca 0.81 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.72 3nal s THR 538 Cb -0.86 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 3nal s THR 538 CO 0.45 -0.33 1.30 0.61 -0.54 0.00 0.00 174.62 176.10 3nal n GLY 539 N 1.14 -2.16 0.23 3.99 0.00 -1.26 -1.18 105.19 105.95 3nal n GLY 539 Ca -0.20 1.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 3nal n GLY 539 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nal h PRO 540 N 0.00 -0.19 -0.85 1.61 0.13 -1.94 -0.21 132.00 130.55 3nal h PRO 540 Ca 0.14 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.49 3nal h PRO 540 Cb 0.35 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 3nal h PRO 540 CO -0.79 -0.13 0.57 0.28 -0.23 0.00 0.00 178.00 177.70 3nal h VAL 541 N -0.20 0.67 -0.17 1.56 2.07 -1.67 -1.13 116.25 117.37 3nal h VAL 541 Ca 0.04 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3nal h VAL 541 Cb 0.31 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3nal h VAL 541 CO -0.31 0.05 0.06 0.50 0.02 0.00 0.00 177.57 177.89 3nal h LYS 542 N 0.28 0.26 -0.20 1.57 3.64 0.44 -2.41 116.57 120.15 3nal h LYS 542 Ca 0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3nal h LYS 542 Cb 1.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3nal h LYS 542 CO -0.12 0.36 0.13 0.93 -2.27 0.00 0.00 179.45 178.49 3nal h GLU 543 N 0.10 0.26 -0.36 1.90 4.39 -0.24 -0.89 114.58 119.74 3nal h GLU 543 Ca 0.06 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.84 3nal h GLU 543 Cb 0.21 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3nal h GLU 543 CO -0.00 0.17 0.26 -0.22 -1.16 0.00 0.00 179.01 178.06 3nal h LYS 544 N 0.27 0.03 0.01 2.33 1.63 -1.40 -0.54 116.57 118.91 3nal h LYS 544 Ca 0.07 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3nal h LYS 544 Cb -0.03 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3nal h LYS 544 CO -0.02 0.02 -0.01 0.82 -3.45 0.00 0.00 179.45 176.81 3nal h ILE 545 N 0.03 1.51 -0.98 2.00 2.04 -0.75 -3.16 117.51 118.20 3nal h ILE 545 Ca 0.17 -1.92 0.02 0.00 1.00 0.00 0.00 64.86 64.13 3nal h ILE 545 Cb 0.65 2.75 -0.05 0.00 -0.74 0.00 0.00 36.82 39.43 3nal h ILE 545 CO -0.01 0.47 0.65 -0.07 0.00 0.00 0.00 178.15 179.19 3nal h LEU 546 N -0.89 1.11 0.28 1.44 3.38 -0.88 -2.76 115.31 116.99 3nal h LEU 546 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3nal h LEU 546 Cb 0.79 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3nal h LEU 546 CO 0.00 0.79 -0.34 0.77 0.09 0.00 0.00 178.44 179.75 3nal h SER 547 N 1.30 -0.94 -0.71 -0.43 4.64 -1.20 0.01 113.55 116.22 3nal h SER 547 Ca 0.37 0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.90 3nal h SER 547 Cb -0.10 0.33 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 3nal h SER 547 CO -0.09 -0.46 0.47 0.58 -0.87 0.00 0.00 176.83 176.45 3nal h VAL 548 N -0.67 0.85 -0.35 0.95 2.07 -1.48 0.14 116.25 117.76 3nal h VAL 548 Ca -0.01 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 3nal h VAL 548 Cb 0.63 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3nal h VAL 548 CO -0.10 0.08 -0.08 0.40 0.02 0.00 0.00 177.57 177.89 3nal h ILE 549 N 0.45 1.28 -0.34 4.57 1.08 -1.10 -1.84 117.51 121.62 3nal h ILE 549 Ca 0.34 -1.14 -0.08 0.00 -0.39 0.00 0.00 64.86 63.58 3nal h ILE 549 Cb 0.69 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 3nal h ILE 549 CO -0.11 0.37 -0.13 0.50 -0.69 0.00 0.00 178.15 178.09 3nal h LYS 550 N 0.46 0.60 0.00 2.37 3.64 0.11 -0.49 116.57 123.26 3nal h LYS 550 Ca 0.09 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3nal h LYS 550 Cb 0.59 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3nal h LYS 550 CO 0.03 0.72 -0.45 0.93 -2.27 0.00 0.00 179.45 178.41 3nal h GLU 551 N 0.55 0.00 0.00 1.90 5.08 -0.81 0.14 114.58 121.44 3nal h GLU 551 Ca 0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 3nal h GLU 551 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3nal h GLU 551 CO 0.03 0.45 -1.11 -1.49 -1.00 0.00 0.00 179.01 175.90 3nal h TRP 552 N 0.00 0.00 0.00 4.33 4.06 -0.94 -0.86 115.95 122.54 3nal h TRP 552 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3nal h TRP 552 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 3nal h TRP 552 CO 0.00 0.79 -1.51 0.41 -3.56 0.00 0.00 178.44 174.57 3nal n GLY 553 N 1.37 -1.00 0.06 1.49 0.00 -0.23 0.45 105.19 107.34 3nal n GLY 553 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 3nal n GLY 553 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3nal n THR 554 N -1.89 0.71 -0.51 2.61 -1.04 0.48 -4.22 114.28 110.42 3nal n THR 554 Ca -0.00 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.44 3nal n THR 554 Cb 0.45 -0.93 0.23 0.00 -1.82 0.00 0.00 70.33 68.26 3nal n THR 554 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3nal n GLY 555 N 2.88 -2.55 0.00 3.41 0.00 -0.33 -4.68 105.19 103.92 3nal n GLY 555 Ca -0.22 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3nal n GLY 555 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3nal n ARG 556 N -3.81 0.00 0.09 1.61 0.63 -1.26 -0.87 116.66 113.04 3nal n ARG 556 Ca 0.03 0.12 -0.17 0.00 -0.92 0.00 0.00 57.85 56.91 3nal n ARG 556 Cb 0.57 -1.55 -0.14 0.00 0.45 0.00 0.00 32.46 31.78 3nal n ARG 556 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3nal h ASP 557 N 0.00 0.46 -6.31 6.15 3.32 -1.83 -3.48 116.42 114.73 3nal h ASP 557 Ca 0.00 -0.56 -0.46 0.00 0.02 0.00 0.00 57.03 56.03 3nal h ASP 557 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3nal h ASP 557 CO 0.00 1.45 -0.85 0.35 -1.72 0.00 0.00 179.24 178.47 3nal n THR 558 N -3.51 -3.53 -3.55 0.35 -2.24 -0.05 -4.95 114.28 96.80 3nal n THR 558 Ca -0.14 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 60.82 3nal n THR 558 Cb 1.04 -3.12 -0.06 0.00 -2.10 0.00 0.00 70.33 66.10 3nal n THR 558 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3nal s LEU 559 N -6.87 4.46 -0.21 3.22 1.43 0.17 -4.78 118.68 116.11 3nal s LEU 559 Ca 0.08 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 3nal s LEU 559 Cb -0.04 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 3nal s LEU 559 CO 0.85 0.33 0.74 -0.60 0.23 0.00 0.00 176.35 177.90 3nal s ARG 560 N -1.11 4.22 -0.03 1.70 3.52 0.42 -3.72 118.95 123.96 3nal s ARG 560 Ca 0.23 0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 56.60 3nal s ARG 560 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3nal s ARG 560 CO 0.12 -0.35 0.19 0.00 -0.81 0.00 0.00 175.30 174.45 3nal s LEU 562 N -1.76 2.45 0.21 0.00 1.43 -0.18 -4.44 118.68 116.39 3nal s LEU 562 Ca 0.25 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 3nal s LEU 562 Cb -0.13 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 3nal s LEU 562 CO 0.16 -0.13 1.01 0.00 0.23 0.00 0.00 176.35 177.62 3nal s ALA 563 N 1.33 3.34 -0.12 4.21 0.00 -0.28 -1.80 121.76 128.44 3nal s ALA 563 Ca -0.02 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3nal s ALA 563 Cb -0.16 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 3nal s ALA 563 CO -0.08 -0.01 -0.20 -0.51 0.00 0.00 0.00 175.76 174.96 3nal s LEU 564 N -0.79 2.32 0.24 0.00 1.43 0.13 -2.05 118.68 119.95 3nal s LEU 564 Ca 0.45 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3nal s LEU 564 Cb -0.27 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3nal s LEU 564 CO 0.34 0.15 0.25 0.00 0.23 0.00 0.00 176.35 177.32 3nal s ALA 565 N 0.41 0.95 0.02 4.21 0.00 0.68 -1.56 121.76 126.47 3nal s ALA 565 Ca -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3nal s ALA 565 Cb -0.17 1.32 -0.02 0.00 0.00 0.00 0.00 23.12 24.25 3nal s ALA 565 CO 0.07 -0.67 -0.03 0.95 0.00 0.00 0.00 175.76 176.08 3nal s THR 566 N -3.94 0.10 -0.40 0.00 -4.23 -0.97 -0.57 115.64 105.63 3nal s THR 566 Ca 0.35 -0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3nal s THR 566 Cb 0.04 -0.24 0.06 0.00 1.34 0.00 0.00 72.50 73.70 3nal s THR 566 CO 0.14 -0.45 0.23 -0.60 -0.54 0.00 0.00 174.62 173.41 3nal s ARG 567 N -1.31 2.70 0.08 3.99 3.52 0.19 -1.12 118.95 127.01 3nal s ARG 567 Ca -0.14 -1.29 -0.27 0.00 -0.13 0.00 0.00 55.73 53.89 3nal s ARG 567 Cb -0.09 -3.75 -0.16 0.00 -1.56 0.00 0.00 34.95 29.39 3nal s ARG 567 CO -0.01 -0.84 1.69 -0.44 -0.81 0.00 0.00 175.30 174.89 3nal h ASP 568 N 8.41 -0.33 -3.69 -2.12 3.32 -1.85 -2.33 116.42 117.83 3nal h ASP 568 Ca -0.24 0.01 -0.69 0.00 0.02 0.00 0.00 57.03 56.14 3nal h ASP 568 Cb 1.09 0.09 -0.37 0.00 0.22 0.00 0.00 39.33 40.37 3nal h ASP 568 CO 0.72 -0.23 -0.29 0.42 -1.72 0.00 0.00 179.24 178.13 3nal s THR 569 N -6.13 3.83 1.00 0.35 -4.23 -1.26 -4.66 115.64 104.53 3nal s THR 569 Ca -0.15 -3.56 -0.12 0.00 -1.18 0.00 0.00 61.69 56.68 3nal s THR 569 Cb 0.05 -3.44 0.19 0.00 1.34 0.00 0.00 72.50 70.64 3nal s THR 569 CO 0.64 -0.98 1.08 -2.16 -0.54 0.00 0.00 174.62 172.67 3nal s PRO 570 N -0.83 0.42 0.98 3.99 0.04 -1.25 -4.98 135.00 133.37 3nal s PRO 570 Ca 0.23 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 3nal s PRO 570 Cb -0.13 -1.73 0.18 0.00 0.04 0.00 0.00 34.50 32.87 3nal s PRO 570 CO -0.09 -2.77 1.08 -1.25 0.04 0.00 0.00 177.00 174.01 3nal s PRO 571 N -4.88 0.54 0.28 0.56 0.04 -1.26 -4.92 135.00 125.35 3nal s PRO 571 Ca 0.65 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 3nal s PRO 571 Cb -0.19 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 3nal s PRO 571 CO 0.58 -2.77 1.35 0.15 0.04 0.00 0.00 177.00 176.36 3nal s LYS 572 N -4.75 4.33 0.26 4.56 1.02 -1.26 -4.91 119.74 118.98 3nal s LYS 572 Ca 0.66 2.22 -0.06 0.00 0.02 0.00 0.00 55.97 58.81 3nal s LYS 572 Cb -0.21 -3.11 0.48 0.00 -0.52 0.00 0.00 37.83 34.48 3nal s LYS 572 CO 0.59 -0.28 1.62 -0.09 -0.92 0.00 0.00 175.35 176.27 3nal h ARG 573 N 4.32 0.08 -0.01 1.68 2.43 -1.97 -0.06 114.38 120.84 3nal h ARG 573 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3nal h ARG 573 Cb 1.22 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3nal h ARG 573 CO 0.72 0.05 0.01 1.05 -1.51 0.00 0.00 179.97 180.29 3nal h GLU 574 N 0.08 0.00 -0.04 0.20 9.09 -2.03 -2.25 114.58 119.63 3nal h GLU 574 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3nal h GLU 574 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3nal h GLU 574 CO -0.72 0.00 0.00 0.39 0.05 0.00 0.00 179.01 178.73 3nal n GLU 575 N -4.28 1.12 -4.57 1.06 -0.58 -0.04 -4.82 120.64 108.54 3nal n GLU 575 Ca -0.03 -0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.20 3nal n GLU 575 Cb 0.10 -1.20 -0.12 0.00 -0.57 0.00 0.00 31.44 29.66 3nal n GLU 575 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3nal s MET 576 N -1.95 3.15 -0.72 3.49 -1.94 -0.85 -4.97 119.30 115.52 3nal s MET 576 Ca 0.18 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.48 3nal s MET 576 Cb 0.09 -2.71 0.19 0.00 2.01 0.00 0.00 34.83 34.41 3nal s MET 576 CO 0.14 0.46 0.64 0.08 -0.01 0.00 0.00 175.02 176.33 3nal s VAL 577 N -0.26 5.18 -0.60 -6.03 1.01 -1.26 -4.94 120.40 113.50 3nal s VAL 577 Ca 0.04 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.73 3nal s VAL 577 Cb -0.13 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3nal s VAL 577 CO 0.03 -0.96 0.37 0.18 0.00 0.00 0.00 175.10 174.71 3nal n LEU 578 N 4.24 0.94 -1.28 3.92 4.77 -1.26 -3.77 117.00 124.55 3nal n LEU 578 Ca 0.06 -0.47 0.03 0.00 -0.03 0.00 0.00 56.01 55.60 3nal n LEU 578 Cb 0.44 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3nal n LEU 578 CO 0.38 0.18 0.11 -0.90 -1.33 0.00 0.00 177.39 175.83 3nal n ASP 579 N 0.44 0.87 -3.36 -1.43 5.68 -1.26 -4.95 116.55 112.54 3nal n ASP 579 Ca 0.00 -2.08 -0.20 0.00 -0.50 0.00 0.00 54.79 52.01 3nal n ASP 579 Cb 0.18 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 39.79 3nal n ASP 579 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 3nal s ASP 580 N -1.89 1.45 0.00 -1.12 -4.77 -1.25 -4.60 116.67 104.50 3nal s ASP 580 Ca 0.28 -1.88 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 3nal s ASP 580 Cb 0.32 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 3nal s ASP 580 CO -0.14 -0.25 0.32 -1.54 0.70 0.00 0.00 175.17 174.26 3nal n SER 581 N 3.98 0.00 0.12 2.11 3.41 -1.26 -0.32 113.62 121.66 3nal n SER 581 Ca 0.14 0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.78 3nal n SER 581 Cb 0.44 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3nal n SER 581 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3nal h SER 582 N 0.00 0.00 0.16 4.04 4.64 -1.96 -3.23 113.55 117.21 3nal h SER 582 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3nal h SER 582 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3nal h SER 582 CO 0.00 0.69 -0.50 0.54 -0.87 0.00 0.00 176.83 176.68 3nal n ARG 583 N -3.45 0.65 -0.33 4.77 1.74 0.56 -4.41 116.66 116.19 3nal n ARG 583 Ca 0.00 -0.47 -0.02 0.00 -0.77 0.00 0.00 57.85 56.60 3nal n ARG 583 Cb 0.75 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.83 3nal n ARG 583 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3nal h PHE 584 N 1.14 1.18 -0.24 -1.55 -1.00 -1.68 -1.95 116.94 112.86 3nal h PHE 584 Ca 0.00 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 3nal h PHE 584 Cb 0.58 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3nal h PHE 584 CO 0.00 0.76 -0.07 1.98 -1.61 0.00 0.00 178.31 179.37 3nal h MET 585 N 1.26 0.37 -0.62 1.51 4.05 -1.79 -1.63 114.93 118.09 3nal h MET 585 Ca 0.34 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.62 3nal h MET 585 Cb -0.11 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.61 3nal h MET 585 CO -0.07 0.46 0.16 1.49 0.23 0.00 0.00 176.91 179.18 3nal h GLU 586 N 0.35 0.98 -0.03 0.39 4.81 -1.64 -2.83 114.58 116.61 3nal h GLU 586 Ca 0.07 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3nal h GLU 586 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3nal h GLU 586 CO 0.02 0.89 -0.46 1.88 -0.73 0.00 0.00 179.01 180.61 3nal h TYR 587 N 0.90 0.07 -1.16 0.92 0.05 -1.05 -3.23 116.97 113.47 3nal h TYR 587 Ca 0.20 -0.02 -0.53 0.00 0.05 0.00 0.00 58.73 58.43 3nal h TYR 587 Cb 0.34 -0.02 -0.19 0.00 1.01 0.00 0.00 36.73 37.87 3nal h TYR 587 CO 0.02 0.51 0.47 0.39 -1.05 0.00 0.00 178.16 178.50 3nal n GLU 588 N -3.99 2.43 -4.67 4.88 1.02 -0.66 -4.82 120.64 114.82 3nal n GLU 588 Ca -0.02 -2.47 -0.30 0.00 -0.02 0.00 0.00 57.16 54.35 3nal n GLU 588 Cb 0.49 -2.15 -0.08 0.00 -0.02 0.00 0.00 31.44 29.68 3nal n GLU 588 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3nal s THR 589 N -2.59 0.91 -1.30 2.62 -4.23 -1.22 -4.78 115.64 105.05 3nal s THR 589 Ca 0.58 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 3nal s THR 589 Cb 0.39 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 3nal s THR 589 CO -0.24 0.00 0.59 -0.67 -0.54 0.00 0.00 174.62 173.76 3nal n ASP 590 N -1.31 -2.04 -4.97 3.99 2.03 -1.02 -4.91 116.55 108.33 3nal n ASP 590 Ca -0.14 -0.98 -0.21 0.00 0.52 0.00 0.00 54.79 53.98 3nal n ASP 590 Cb 0.66 -3.33 0.04 0.00 -0.72 0.00 0.00 41.12 37.77 3nal n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3nal s LEU 591 N -6.76 3.28 -0.12 -2.67 1.43 0.01 -4.65 118.68 109.19 3nal s LEU 591 Ca 0.15 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3nal s LEU 591 Cb -0.05 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3nal s LEU 591 CO 0.87 -1.15 -0.14 0.42 0.23 0.00 0.00 176.35 176.58 3nal s THR 592 N -2.76 1.49 0.14 5.49 -4.23 -0.27 -0.13 115.64 115.37 3nal s THR 592 Ca 0.57 -0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 60.17 3nal s THR 592 Cb -0.10 -1.38 -0.09 0.00 1.34 0.00 0.00 72.50 72.27 3nal s THR 592 CO 0.38 0.44 1.47 0.12 -0.54 0.00 0.00 174.62 176.49 3nal s PHE 593 N 1.25 3.16 -0.03 3.99 5.36 0.27 -2.30 117.98 129.68 3nal s PHE 593 Ca -0.01 0.82 0.07 0.00 -0.96 0.00 0.00 56.93 56.85 3nal s PHE 593 Cb -0.14 -3.79 -0.10 0.00 -0.34 0.00 0.00 43.02 38.65 3nal s PHE 593 CO -0.06 -2.83 0.12 1.55 -1.46 0.00 0.00 175.22 172.54 3nal n VAL 594 N 3.87 0.13 0.00 3.12 3.14 -0.60 -0.63 118.33 127.35 3nal n VAL 594 Ca 0.12 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 3nal n VAL 594 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 3nal n VAL 594 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3nal n GLY 595 N 2.25 2.23 3.26 7.55 0.00 -1.02 -4.42 105.19 115.04 3nal n GLY 595 Ca -0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 3nal n GLY 595 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3nal s VAL 596 N -2.00 1.34 -0.06 1.61 -7.23 -0.70 0.18 120.40 113.54 3nal s VAL 596 Ca 0.00 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3nal s VAL 596 Cb 0.00 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.19 3nal s VAL 596 CO 0.00 -0.60 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.42 3nal s VAL 597 N -2.82 0.85 -0.23 1.32 1.01 -0.75 -2.24 120.40 117.55 3nal s VAL 597 Ca 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3nal s VAL 597 Cb -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3nal s VAL 597 CO 0.03 0.29 -0.06 -0.83 0.00 0.00 0.00 175.10 174.53 3nal s GLY 598 N 0.82 1.59 0.41 4.51 0.00 0.04 -1.01 107.32 113.68 3nal s GLY 598 Ca -0.12 -1.27 0.08 0.00 0.00 0.00 0.00 44.72 43.40 3nal s GLY 598 CO 0.02 0.44 0.31 -3.16 0.00 0.00 0.00 173.10 170.71 3nal s MET 599 N 1.41 2.43 -0.02 2.90 0.23 -0.44 -1.31 119.30 124.50 3nal s MET 599 Ca 0.04 -1.64 0.01 0.00 -1.03 0.00 0.00 55.69 53.07 3nal s MET 599 Cb -0.15 -2.24 0.01 0.00 -1.53 0.00 0.00 34.83 30.92 3nal s MET 599 CO -0.05 -0.16 -0.05 -1.17 -2.03 0.00 0.00 175.02 171.56 3nal s LEU 600 N -4.05 1.66 -0.46 0.18 2.96 -0.32 -0.43 118.68 118.22 3nal s LEU 600 Ca 0.46 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3nal s LEU 600 Cb -0.01 -0.37 0.11 0.00 0.50 0.00 0.00 46.19 46.43 3nal s LEU 600 CO 0.26 0.01 0.33 -0.62 -1.32 0.00 0.00 176.35 175.01 3nal s ASP 601 N 0.38 5.67 0.19 3.68 2.15 -1.26 -3.26 116.67 124.22 3nal s ASP 601 Ca -0.05 -1.85 -0.31 0.00 0.43 0.00 0.00 52.55 50.77 3nal s ASP 601 Cb -0.08 -2.00 -0.10 0.00 -0.30 0.00 0.00 42.92 40.43 3nal s ASP 601 CO -0.00 -0.66 1.55 -2.16 -0.17 0.00 0.00 175.17 173.73 3nal s PRO 602 N 1.36 4.22 0.77 4.34 0.05 -1.26 -4.77 135.00 139.71 3nal s PRO 602 Ca 0.05 2.36 -0.12 0.00 0.05 0.00 0.00 61.00 63.34 3nal s PRO 602 Cb -0.26 -3.14 0.06 0.00 0.05 0.00 0.00 34.50 31.21 3nal s PRO 602 CO -0.00 -0.58 1.13 -2.14 0.05 0.00 0.00 177.00 175.46 3nal s PRO 603 N 0.81 2.09 0.45 0.56 0.02 -1.26 0.08 135.00 137.75 3nal s PRO 603 Ca 0.68 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.98 3nal s PRO 603 Cb -0.44 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.15 3nal s PRO 603 CO 0.34 -1.80 0.88 1.03 -0.33 0.00 0.00 177.00 177.11 3nal s ARG 604 N -4.46 3.88 0.06 5.54 0.52 -0.83 -4.67 118.95 119.00 3nal s ARG 604 Ca 0.66 0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 56.40 3nal s ARG 604 Cb -0.21 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.91 3nal s ARG 604 CO 0.51 -0.14 1.32 0.87 0.02 0.00 0.00 175.30 177.89 3nal h LYS 605 N 1.17 -0.39 0.00 3.54 1.57 -1.93 -2.54 116.57 117.99 3nal h LYS 605 Ca -0.47 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3nal h LYS 605 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3nal h LYS 605 CO 0.63 -0.26 0.01 0.39 -0.57 0.00 0.00 179.45 179.65 3nal n GLU 606 N -4.23 0.11 -0.16 3.15 4.71 -1.26 -3.22 120.64 119.74 3nal n GLU 606 Ca -0.04 0.60 -0.11 0.00 -0.01 0.00 0.00 57.16 57.60 3nal n GLU 606 Cb 0.23 -1.86 -0.01 0.00 -1.01 0.00 0.00 31.44 28.80 3nal n GLU 606 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3nal h VAL 607 N 0.00 1.27 -0.13 2.62 2.07 -1.80 -2.45 116.25 117.83 3nal h VAL 607 Ca 0.00 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3nal h VAL 607 Cb 0.02 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3nal h VAL 607 CO 0.00 0.40 -0.17 0.24 0.02 0.00 0.00 177.57 178.06 3nal h MET 608 N 0.69 -0.20 -0.48 1.57 2.86 -1.68 0.23 114.93 117.92 3nal h MET 608 Ca 0.12 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3nal h MET 608 Cb 0.59 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3nal h MET 608 CO 0.04 -0.13 0.09 0.78 1.06 0.00 0.00 176.91 178.74 3nal h GLY 609 N -0.21 0.85 0.83 8.32 0.00 -1.77 -2.86 103.07 108.23 3nal h GLY 609 Ca 0.10 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.94 3nal h GLY 609 CO -0.25 0.52 0.60 1.76 0.00 0.00 0.00 176.54 179.16 3nal h SER 610 N 0.66 0.93 -0.68 0.19 0.02 -0.99 0.11 113.55 113.79 3nal h SER 610 Ca 0.15 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3nal h SER 610 Cb 0.37 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3nal h SER 610 CO 0.01 0.59 0.23 0.40 -1.14 0.00 0.00 176.83 176.92 3nal h ILE 611 N 1.05 1.25 -0.23 3.27 1.08 -0.74 -2.79 117.51 120.40 3nal h ILE 611 Ca 0.40 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3nal h ILE 611 Cb 0.20 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 3nal h ILE 611 CO -0.15 0.34 0.13 -0.61 -0.69 0.00 0.00 178.15 177.17 3nal h GLN 612 N 1.03 0.31 -0.81 2.37 5.75 -0.68 -2.64 115.11 120.45 3nal h GLN 612 Ca 0.23 -0.03 0.17 0.00 -0.15 0.00 0.00 58.65 58.87 3nal h GLN 612 Cb 0.27 -0.06 -0.11 0.00 1.07 0.00 0.00 27.48 28.65 3nal h GLN 612 CO -0.01 0.27 0.32 -0.07 -2.65 0.00 0.00 178.83 176.69 3nal h LEU 613 N 0.27 0.27 -1.61 -2.39 3.38 -0.93 0.42 115.31 114.72 3nal h LEU 613 Ca 0.08 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3nal h LEU 613 Cb 0.04 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3nal h LEU 613 CO -0.01 0.05 0.09 0.00 0.09 0.00 0.00 178.44 178.66 3nal h ARG 615 N 0.35 0.02 0.00 0.00 3.08 -0.80 0.40 114.38 117.43 3nal h ARG 615 Ca 0.09 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3nal h ARG 615 Cb 0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3nal h ARG 615 CO -0.01 0.26 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.45 3nal h ASP 616 N -0.22 0.00 -0.05 7.04 3.32 -0.78 -2.42 116.42 123.31 3nal h ASP 616 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nal h ASP 616 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3nal h ASP 616 CO 0.00 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3nal n ALA 617 N -2.45 2.56 -1.18 3.45 0.00 0.52 -3.86 120.51 119.56 3nal n ALA 617 Ca -0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 3nal n ALA 617 Cb 0.32 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3nal n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nal n GLY 618 N 1.17 0.81 3.65 0.00 0.00 -0.18 -3.32 105.19 107.33 3nal n GLY 618 Ca 0.18 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 3nal n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nal s ILE 619 N -2.07 5.20 0.10 -0.61 1.01 0.12 -4.66 121.20 120.30 3nal s ILE 619 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 3nal s ILE 619 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3nal s ILE 619 CO 0.00 0.23 0.86 -0.60 0.00 0.00 0.00 174.94 175.43 3nal s ARG 620 N 1.49 4.61 -0.24 2.79 3.52 0.21 -4.25 118.95 127.08 3nal s ARG 620 Ca 0.17 1.26 -0.04 0.00 -0.13 0.00 0.00 55.73 57.00 3nal s ARG 620 Cb -0.15 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 3nal s ARG 620 CO 0.08 0.30 -0.02 0.08 -0.81 0.00 0.00 175.30 174.93 3nal s VAL 621 N -0.22 3.38 -0.23 7.11 1.01 -1.26 -0.12 120.40 130.07 3nal s VAL 621 Ca 0.42 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3nal s VAL 621 Cb -0.22 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3nal s VAL 621 CO 0.27 0.30 0.01 -0.63 0.00 0.00 0.00 175.10 175.04 3nal s ILE 622 N 1.45 3.82 -0.01 2.22 1.01 0.17 -4.80 121.20 125.06 3nal s ILE 622 Ca 0.04 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 3nal s ILE 622 Cb -0.15 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 3nal s ILE 622 CO -0.02 0.39 0.66 -0.32 0.00 0.00 0.00 174.94 175.65 3nal s MET 623 N 1.44 4.39 -0.25 2.79 -2.45 -0.81 0.10 119.30 124.51 3nal s MET 623 Ca 0.05 0.84 0.01 0.00 -1.25 0.00 0.00 55.69 55.34 3nal s MET 623 Cb -0.15 -3.37 0.04 0.00 1.25 0.00 0.00 34.83 32.61 3nal s MET 623 CO 0.00 0.27 -0.10 0.42 1.05 0.00 0.00 175.02 176.67 3nal s ILE 624 N 0.08 2.43 0.24 10.11 1.01 0.16 -0.73 121.20 134.50 3nal s ILE 624 Ca 0.34 -1.36 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3nal s ILE 624 Cb -0.19 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3nal s ILE 624 CO 0.19 0.10 0.03 0.28 0.00 0.00 0.00 174.94 175.53 3nal s THR 625 N 1.20 0.87 -0.16 2.92 -1.32 -0.12 -1.41 115.64 117.62 3nal s THR 625 Ca -0.04 -2.01 -0.00 0.00 -1.21 0.00 0.00 61.69 58.42 3nal s THR 625 Cb -0.18 -2.41 -0.23 0.00 -1.51 0.00 0.00 72.50 68.17 3nal s THR 625 CO -0.06 -0.25 0.20 0.61 -2.21 0.00 0.00 174.62 172.92 3nal n GLY 626 N -0.42 -0.58 3.37 6.08 0.00 -1.26 -0.88 105.19 111.50 3nal n GLY 626 Ca -0.04 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 3nal n GLY 626 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3nal n ASP 627 N -3.31 -1.84 -4.07 1.61 8.00 -1.26 -3.75 116.55 111.93 3nal n ASP 627 Ca -0.35 0.97 -0.29 0.00 0.71 0.00 0.00 54.79 55.83 3nal n ASP 627 Cb 1.04 -0.95 0.20 0.00 -0.02 0.00 0.00 41.12 41.39 3nal n ASP 627 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3nal n ASN 628 N 2.04 -2.61 0.00 -2.24 0.23 -1.26 -4.01 115.26 107.41 3nal n ASN 628 Ca 0.14 -0.29 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 3nal n ASN 628 Cb 0.33 -0.98 0.00 0.00 -2.08 0.00 0.00 39.78 37.05 3nal n ASN 628 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3nal n LYS 629 N -3.09 0.00 0.00 -3.83 4.81 -1.26 -1.86 118.16 112.93 3nal n LYS 629 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3nal n LYS 629 Cb 0.56 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.37 3nal n LYS 629 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3nal n GLY 630 N 0.00 0.00 0.22 3.14 0.00 -1.26 0.34 105.19 107.63 3nal n GLY 630 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3nal n GLY 630 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3nal h THR 631 N 0.00 1.30 -0.27 2.61 2.02 -1.73 -3.04 112.91 113.79 3nal h THR 631 Ca 0.00 -1.95 0.06 0.00 0.77 0.00 0.00 66.41 65.28 3nal h THR 631 Cb 0.00 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 3nal h THR 631 CO 0.00 0.61 -0.08 0.00 0.37 0.00 0.00 175.52 176.42 3nal h ALA 632 N 0.69 0.16 -0.32 6.16 0.00 0.66 -1.03 119.26 125.57 3nal h ALA 632 Ca -0.03 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3nal h ALA 632 Cb 1.32 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3nal h ALA 632 CO 0.14 -0.48 -0.08 0.82 0.00 0.00 0.00 179.25 179.65 3nal h ILE 633 N -0.02 0.68 -0.57 0.00 2.04 -1.53 -1.25 117.51 116.86 3nal h ILE 633 Ca 0.13 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.11 3nal h ILE 633 Cb 0.23 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 36.87 3nal h ILE 633 CO -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.67 3nal h ALA 634 N 1.32 0.30 -0.58 1.87 0.00 -1.25 0.26 119.26 121.18 3nal h ALA 634 Ca 0.16 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3nal h ALA 634 Cb 0.24 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3nal h ALA 634 CO -0.33 -0.48 0.38 0.82 0.00 0.00 0.00 179.25 179.64 3nal h ILE 635 N -0.04 1.06 -0.35 0.00 1.08 -0.13 -0.62 117.51 118.50 3nal h ILE 635 Ca 0.27 -0.22 -0.13 0.00 -0.39 0.00 0.00 64.86 64.38 3nal h ILE 635 Cb 0.46 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3nal h ILE 635 CO -0.61 0.12 -0.32 0.00 -0.69 0.00 0.00 178.15 176.65 3nal h ARG 637 N 0.64 0.38 -0.45 0.00 3.08 -0.71 1.17 114.38 118.50 3nal h ARG 637 Ca 0.07 -0.21 0.12 0.00 0.07 0.00 0.00 59.98 60.03 3nal h ARG 637 Cb 0.85 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3nal h ARG 637 CO 0.07 0.77 0.32 -0.09 -1.07 0.00 0.00 179.97 179.97 3nal h ARG 638 N 0.01 0.06 -0.01 0.04 2.43 -1.01 -1.44 114.38 114.47 3nal h ARG 638 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3nal h ARG 638 Cb 0.71 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3nal h ARG 638 CO 0.04 0.04 -0.63 0.44 -1.51 0.00 0.00 179.97 178.35 3nal n ILE 639 N -4.42 0.00 -0.02 1.20 -5.35 -0.90 -4.99 119.36 104.87 3nal n ILE 639 Ca 0.07 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3nal n ILE 639 Cb 0.48 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3nal n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3nal n GLY 640 N 1.41 0.95 0.25 3.28 0.00 -0.07 -4.66 105.19 106.35 3nal n GLY 640 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3nal n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3nal h ILE 641 N 0.00 1.28 -2.95 -0.61 1.08 0.11 -3.44 117.51 112.96 3nal h ILE 641 Ca 0.00 -1.69 -0.63 0.00 -0.39 0.00 0.00 64.86 62.15 3nal h ILE 641 Cb 0.00 1.57 -0.17 0.00 -3.07 0.00 0.00 36.82 35.15 3nal h ILE 641 CO 0.00 0.55 -0.80 -0.36 -0.69 0.00 0.00 178.15 176.85 3nal s PHE 642 N -4.19 2.23 0.18 1.37 0.08 -0.98 -4.95 117.98 111.72 3nal s PHE 642 Ca -0.10 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.37 3nal s PHE 642 Cb 0.10 -1.07 -0.08 0.00 -0.57 0.00 0.00 43.02 41.41 3nal s PHE 642 CO 0.89 0.53 0.71 0.20 -0.10 0.00 0.00 175.22 177.45 3nal s GLY 643 N -2.89 2.70 0.39 4.36 0.00 -1.26 -4.05 107.32 106.57 3nal s GLY 643 Ca 0.23 0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.38 3nal s GLY 643 CO 0.11 0.59 1.55 1.18 0.00 0.00 0.00 173.10 176.53 3nal n GLU 644 N 1.09 -0.05 -0.02 2.90 1.02 -1.26 0.06 120.64 124.39 3nal n GLU 644 Ca -0.04 1.31 0.03 0.00 -0.02 0.00 0.00 57.16 58.43 3nal n GLU 644 Cb 0.50 -2.44 0.03 0.00 -0.02 0.00 0.00 31.44 29.52 3nal n GLU 644 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3nal n ASN 645 N -5.01 1.64 -4.77 1.62 3.02 -1.26 -5.03 115.26 105.47 3nal n ASN 645 Ca 0.38 -1.38 -0.40 0.00 -0.03 0.00 0.00 54.58 53.15 3nal n ASN 645 Cb 1.38 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 40.52 3nal n ASN 645 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3nal s GLU 646 N -0.55 4.07 0.50 3.52 2.12 0.11 -4.97 118.70 123.51 3nal s GLU 646 Ca 0.07 2.33 -0.21 0.00 0.36 0.00 0.00 54.97 57.52 3nal s GLU 646 Cb 0.05 -2.89 -0.07 0.00 0.26 0.00 0.00 34.13 31.48 3nal s GLU 646 CO 0.07 -0.47 1.14 -2.00 -0.54 0.00 0.00 175.26 173.46 3nal s GLU 647 N -2.11 3.56 0.00 4.30 2.56 -1.26 -4.71 118.70 121.04 3nal s GLU 647 Ca 0.54 1.68 0.00 0.00 0.00 0.00 0.00 54.97 57.19 3nal s GLU 647 Cb -0.42 -2.20 0.00 0.00 2.00 0.00 0.00 34.13 33.52 3nal s GLU 647 CO 0.55 -0.69 0.02 0.28 -0.56 0.00 0.00 175.26 174.86 3nal n VAL 648 N -0.90 0.00 -0.22 3.70 0.31 -1.26 -4.90 118.33 115.06 3nal n VAL 648 Ca 0.09 -0.04 -0.02 0.00 -0.01 0.00 0.00 64.34 64.37 3nal n VAL 648 Cb 0.50 1.54 0.01 0.00 -0.91 0.00 0.00 33.84 34.97 3nal n VAL 648 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nal n ALA 649 N -0.03 -0.13 0.98 3.52 0.00 -1.26 -0.09 120.51 123.50 3nal n ALA 649 Ca 0.00 0.53 0.12 0.00 0.00 0.00 0.00 53.44 54.09 3nal n ALA 649 Cb 0.13 -0.21 0.24 0.00 0.00 0.00 0.00 19.45 19.62 3nal n ALA 649 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3nal n ASP 650 N -4.78 2.66 -1.04 0.00 8.00 -1.26 -4.23 116.55 115.89 3nal n ASP 650 Ca 0.05 -1.87 0.10 0.00 0.71 0.00 0.00 54.79 53.78 3nal n ASP 650 Cb 0.20 -0.06 0.21 0.00 -0.02 0.00 0.00 41.12 41.45 3nal n ASP 650 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3nal n ARG 651 N 1.04 2.42 -3.86 -1.24 1.74 0.88 -4.42 116.66 113.22 3nal n ARG 651 Ca 0.16 -2.22 -0.17 0.00 -0.77 0.00 0.00 57.85 54.86 3nal n ARG 651 Cb 0.52 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.34 3nal n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nal s ALA 652 N -1.26 0.28 0.07 7.54 0.00 -1.13 -0.35 121.76 126.91 3nal s ALA 652 Ca 0.36 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.53 3nal s ALA 652 Cb 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3nal s ALA 652 CO 0.28 -0.15 -0.10 0.71 0.00 0.00 0.00 175.76 176.50 3nal s TYR 653 N 1.21 0.93 0.11 0.00 2.02 -0.34 -4.97 117.35 116.31 3nal s TYR 653 Ca -0.07 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 3nal s TYR 653 Cb -0.13 -0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3nal s TYR 653 CO -0.02 -0.04 0.14 -0.08 -1.57 0.00 0.00 175.55 173.98 3nal s THR 654 N -2.02 4.75 0.36 -0.71 -1.32 -1.26 -1.20 115.64 114.24 3nal s THR 654 Ca -0.00 -0.78 0.14 0.00 -1.21 0.00 0.00 61.69 59.83 3nal s THR 654 Cb -0.06 -3.35 0.35 0.00 -1.51 0.00 0.00 72.50 67.94 3nal s THR 654 CO -0.00 0.04 1.75 1.23 -2.21 0.00 0.00 174.62 175.43 3nal h GLY 655 N 2.89 1.59 0.60 6.08 0.00 -0.90 -1.42 103.07 111.91 3nal h GLY 655 Ca -0.47 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 3nal h GLY 655 CO 0.67 -0.20 -0.29 -0.09 0.00 0.00 0.00 176.54 176.64 3nal h ARG 656 N 0.49 -0.78 -0.84 4.80 9.65 -1.86 -2.49 114.38 123.36 3nal h ARG 656 Ca 0.63 0.05 0.16 0.00 -1.10 0.00 0.00 59.98 59.72 3nal h ARG 656 Cb 1.37 0.18 -0.16 0.00 -1.39 0.00 0.00 29.97 29.97 3nal h ARG 656 CO -0.39 -0.52 -0.24 0.93 2.80 0.00 0.00 179.97 182.55 3nal h GLU 657 N -1.00 -0.02 -0.27 0.20 5.08 -1.76 0.77 114.58 117.59 3nal h GLU 657 Ca -0.08 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3nal h GLU 657 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3nal h GLU 657 CO 0.14 -0.01 0.07 0.35 -1.00 0.00 0.00 179.01 178.56 3nal h PHE 658 N -0.02 0.13 -0.37 4.33 3.57 -1.33 -1.88 116.94 121.37 3nal h PHE 658 Ca 0.38 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 3nal h PHE 658 Cb 0.61 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3nal h PHE 658 CO -0.68 0.05 0.03 -0.44 -2.23 0.00 0.00 178.31 175.04 3nal h ASP 659 N 0.19 0.52 0.26 0.41 3.32 -0.50 -1.45 116.42 119.16 3nal h ASP 659 Ca 0.12 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3nal h ASP 659 Cb 0.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3nal h ASP 659 CO -0.14 0.57 0.00 0.47 -1.72 0.00 0.00 179.24 178.42 3nal n ASP 660 N -4.29 0.29 -4.93 6.45 8.00 0.06 -4.72 116.55 117.41 3nal n ASP 660 Ca 0.02 0.61 -0.25 0.00 0.71 0.00 0.00 54.79 55.87 3nal n ASP 660 Cb 0.23 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3nal n ASP 660 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3nal s LEU 661 N -3.72 3.80 0.24 0.64 1.43 -0.55 -5.08 118.68 115.45 3nal s LEU 661 Ca 0.02 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 3nal s LEU 661 Cb 0.06 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 3nal s LEU 661 CO 0.19 -0.47 0.58 -2.84 0.23 0.00 0.00 176.35 174.05 3nal s PRO 662 N -4.53 3.84 0.32 1.29 0.02 -1.26 -4.79 135.00 129.90 3nal s PRO 662 Ca 0.44 0.35 0.21 0.00 0.02 0.00 0.00 61.00 62.02 3nal s PRO 662 Cb -0.10 -2.62 1.12 0.00 0.02 0.00 0.00 34.50 32.93 3nal s PRO 662 CO 0.40 0.29 1.24 1.28 -0.33 0.00 0.00 177.00 179.88 3nal n LEU 663 N -0.15 0.22 0.06 -5.54 4.77 -1.26 -0.75 117.00 114.36 3nal n LEU 663 Ca 0.01 1.21 -0.05 0.00 -0.03 0.00 0.00 56.01 57.15 3nal n LEU 663 Cb 0.52 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3nal n LEU 663 CO 0.44 -1.34 0.51 0.00 -1.33 0.00 0.00 177.39 175.67 3nal h ALA 664 N 1.43 -0.79 0.00 -1.18 0.00 -2.00 -2.34 119.26 114.38 3nal h ALA 664 Ca 0.68 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 3nal h ALA 664 Cb 2.00 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 20.27 3nal h ALA 664 CO -0.50 -0.81 -0.12 0.93 0.00 0.00 0.00 179.25 178.76 3nal h GLU 665 N -0.27 0.00 -0.57 0.00 3.07 -1.32 -2.80 114.58 112.70 3nal h GLU 665 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 3nal h GLU 665 Cb 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3nal h GLU 665 CO -0.05 0.12 0.36 1.96 -1.40 0.00 0.00 179.01 180.00 3nal h GLN 666 N 0.00 0.71 -0.24 2.33 4.20 -0.92 0.44 115.11 121.64 3nal h GLN 666 Ca -0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3nal h GLN 666 Cb 0.84 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3nal h GLN 666 CO 0.02 0.47 -0.32 -0.09 -0.67 0.00 0.00 178.83 178.24 3nal h ARG 667 N 0.73 0.49 -0.32 1.46 2.43 -1.26 -3.03 114.38 114.88 3nal h ARG 667 Ca 0.22 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3nal h ARG 667 Cb -0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3nal h ARG 667 CO -0.07 0.75 -0.31 1.49 -1.51 0.00 0.00 179.97 180.32 3nal h GLU 668 N 0.42 0.77 -0.81 0.20 4.57 -1.10 -3.13 114.58 115.50 3nal h GLU 668 Ca 0.05 -0.40 0.09 0.00 -1.18 0.00 0.00 59.36 57.92 3nal h GLU 668 Cb 0.77 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.30 3nal h GLU 668 CO 0.06 1.03 0.46 0.00 -1.18 0.00 0.00 179.01 179.38 3nal h ALA 669 N 0.73 1.15 0.00 2.92 0.00 -0.05 -2.42 119.26 121.59 3nal h ALA 669 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3nal h ALA 669 Cb 0.89 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3nal h ALA 669 CO 0.08 0.08 -0.07 0.00 0.00 0.00 0.00 179.25 179.34 3nal h ARG 671 N 0.00 0.00 0.00 0.00 0.11 -1.50 -3.35 114.38 109.63 3nal h ARG 671 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3nal h ARG 671 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3nal h ARG 671 CO 0.01 0.00 -1.02 2.89 0.10 0.00 0.00 179.97 181.95 3nal n ARG 672 N -2.63 0.62 -1.39 0.08 1.85 -1.00 -5.05 116.66 109.13 3nal n ARG 672 Ca 0.04 -0.02 -0.33 0.00 -1.00 0.00 0.00 57.85 56.55 3nal n ARG 672 Cb 0.48 -1.02 0.09 0.00 -1.05 0.00 0.00 32.46 30.96 3nal n ARG 672 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nal s ALA 673 N -2.08 2.17 0.00 2.89 0.00 0.89 -4.62 121.76 121.02 3nal s ALA 673 Ca -0.01 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3nal s ALA 673 Cb 0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3nal s ALA 673 CO 0.10 -1.78 0.00 0.00 0.00 0.00 0.00 175.76 174.08 3nal s PHE 676 N 2.45 2.99 0.07 0.00 0.40 0.09 -1.20 117.98 122.79 3nal s PHE 676 Ca 0.06 -1.22 0.05 0.00 -0.60 0.00 0.00 56.93 55.23 3nal s PHE 676 Cb -0.14 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3nal s PHE 676 CO -0.12 -0.64 -0.06 0.00 0.70 0.00 0.00 175.22 175.10 3nal s ALA 677 N 1.41 3.07 -1.31 5.36 0.00 -0.34 -0.94 121.76 129.00 3nal s ALA 677 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3nal s ALA 677 Cb -0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 3nal s ALA 677 CO -0.04 0.65 0.65 0.54 0.00 0.00 0.00 175.76 177.57 3nal n ARG 678 N 0.88 -4.47 0.00 0.00 5.12 -0.06 -1.18 116.66 116.94 3nal n ARG 678 Ca -0.13 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 3nal n ARG 678 Cb 0.52 -5.04 0.00 0.00 -1.16 0.00 0.00 32.46 26.78 3nal n ARG 678 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3nal n VAL 679 N -4.27 0.00 -3.59 1.55 0.31 -1.25 -2.63 118.33 108.44 3nal n VAL 679 Ca -0.29 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 63.94 3nal n VAL 679 Cb 0.68 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 3nal n VAL 679 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3nal s GLU 680 N -0.55 0.55 0.35 5.55 -6.30 -1.26 -4.89 118.70 112.16 3nal s GLU 680 Ca 0.00 0.24 0.15 0.00 -2.50 0.00 0.00 54.97 52.86 3nal s GLU 680 Cb 0.00 0.26 1.13 0.00 0.00 0.00 0.00 34.13 35.53 3nal s GLU 680 CO 0.00 -0.15 1.61 -1.35 0.02 0.00 0.00 175.26 175.39 3nal h PRO 681 N 2.93 0.13 -0.93 4.30 0.11 -2.00 0.38 132.00 136.92 3nal h PRO 681 Ca -0.21 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.93 3nal h PRO 681 Cb 1.17 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3nal h PRO 681 CO 0.26 0.09 0.60 0.66 -0.21 0.00 0.00 178.00 179.40 3nal h SER 682 N 0.14 1.00 -0.06 -2.05 4.64 -1.97 -3.05 113.55 112.20 3nal h SER 682 Ca 0.75 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 62.07 3nal h SER 682 Cb 1.83 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3nal h SER 682 CO -0.72 0.68 0.03 0.45 -0.87 0.00 0.00 176.83 176.41 3nal h HIS 683 N 1.17 0.10 -0.95 4.77 3.86 -0.65 -2.47 115.15 120.97 3nal h HIS 683 Ca 0.37 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.78 3nal h HIS 683 Cb 0.02 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.34 3nal h HIS 683 CO -0.01 0.20 0.53 0.87 0.86 0.00 0.00 177.93 180.38 3nal h LYS 684 N -0.04 0.60 -0.25 2.45 1.57 -1.41 0.90 116.57 120.39 3nal h LYS 684 Ca 0.02 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3nal h LYS 684 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3nal h LYS 684 CO -0.00 0.39 -0.62 0.77 -0.57 0.00 0.00 179.45 179.42 3nal h SER 685 N 0.61 0.97 -0.38 0.86 0.02 -1.54 -2.37 113.55 111.72 3nal h SER 685 Ca 0.57 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3nal h SER 685 Cb 0.98 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3nal h SER 685 CO -0.44 1.36 0.13 0.11 -1.14 0.00 0.00 176.83 176.85 3nal h LYS 686 N 0.63 0.58 -0.10 3.45 1.57 -0.45 -2.31 116.57 119.93 3nal h LYS 686 Ca -0.01 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3nal h LYS 686 Cb 1.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3nal h LYS 686 CO 0.13 0.58 -0.01 0.82 -0.57 0.00 0.00 179.45 180.41 3nal h ILE 687 N 0.46 1.08 -0.06 1.86 2.04 0.75 -2.25 117.51 121.39 3nal h ILE 687 Ca 0.12 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3nal h ILE 687 Cb 0.24 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3nal h ILE 687 CO -0.01 0.10 -0.10 0.58 0.00 0.00 0.00 178.15 178.72 3nal h VAL 688 N 0.15 1.41 -0.46 1.67 2.07 -1.07 -2.16 116.25 117.86 3nal h VAL 688 Ca 0.04 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3nal h VAL 688 Cb 0.12 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.01 3nal h VAL 688 CO 0.00 0.38 -0.09 -0.33 0.02 0.00 0.00 177.57 177.56 3nal h GLU 689 N -0.33 0.02 0.09 1.57 5.08 -1.03 0.60 114.58 120.59 3nal h GLU 689 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nal h GLU 689 Cb 0.67 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3nal h GLU 689 CO 0.02 0.01 -0.06 1.88 -1.00 0.00 0.00 179.01 179.87 3nal h TYR 690 N 0.02 -0.14 -0.61 4.33 0.05 -1.43 0.25 116.97 119.44 3nal h TYR 690 Ca 0.22 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.18 3nal h TYR 690 Cb 0.34 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3nal h TYR 690 CO -0.38 -0.09 0.44 -0.07 -1.05 0.00 0.00 178.16 177.02 3nal h LEU 691 N -0.14 0.00 -0.12 3.88 3.38 -0.64 0.20 115.31 121.86 3nal h LEU 691 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3nal h LEU 691 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3nal h LEU 691 CO 0.01 0.00 -0.79 1.56 0.09 0.00 0.00 178.44 179.31 3nal h GLN 692 N 0.00 0.00 0.00 1.13 4.20 0.18 -2.59 115.11 118.03 3nal h GLN 692 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3nal h GLN 692 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3nal h GLN 692 CO -0.00 0.79 0.00 -1.13 -0.67 0.00 0.00 178.83 177.81 3nal n SER 693 N -3.36 0.00 -0.35 1.46 3.41 0.70 -0.44 113.62 115.04 3nal n SER 693 Ca 0.00 -0.39 0.08 0.00 -0.26 0.00 0.00 58.87 58.30 3nal n SER 693 Cb 0.83 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.88 3nal n SER 693 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3nal n TYR 694 N -1.06 0.00 -4.37 7.33 4.01 -1.16 -4.97 117.16 116.94 3nal n TYR 694 Ca 0.11 -1.20 -0.38 0.00 -0.16 0.00 0.00 57.90 56.27 3nal n TYR 694 Cb 0.07 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 38.85 3nal n TYR 694 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3nal n ASP 695 N -1.23 -1.87 -4.78 7.72 8.00 0.42 -4.91 116.55 119.90 3nal n ASP 695 Ca 0.17 -1.16 -0.36 0.00 0.71 0.00 0.00 54.79 54.15 3nal n ASP 695 Cb 0.67 -2.08 -0.07 0.00 -0.02 0.00 0.00 41.12 39.62 3nal n ASP 695 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3nal s GLU 696 N -7.12 3.96 -0.67 -1.24 2.02 -0.99 -5.03 118.70 109.64 3nal s GLU 696 Ca 0.65 -0.05 -0.25 0.00 0.02 0.00 0.00 54.97 55.34 3nal s GLU 696 Cb -0.37 -3.34 0.05 0.00 0.10 0.00 0.00 34.13 30.58 3nal s GLU 696 CO 0.98 0.46 1.08 0.42 0.02 0.00 0.00 175.26 178.22 3nal s ILE 697 N -0.15 4.12 -0.01 -1.63 -1.09 -1.26 -4.45 121.20 116.73 3nal s ILE 697 Ca 0.14 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 3nal s ILE 697 Cb -0.12 -4.74 -0.04 0.00 -1.58 0.00 0.00 42.46 35.98 3nal s ILE 697 CO 0.03 -1.53 0.04 0.28 -1.23 0.00 0.00 174.94 172.52 3nal s THR 698 N 4.64 4.44 -0.05 2.92 -1.32 -1.26 0.14 115.64 125.15 3nal s THR 698 Ca 0.29 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.32 3nal s THR 698 Cb -0.13 -3.00 -0.03 0.00 -1.51 0.00 0.00 72.50 67.84 3nal s THR 698 CO 0.14 0.38 -0.13 0.00 -2.21 0.00 0.00 174.62 172.81 3nal s ALA 699 N -1.12 2.74 -0.02 11.08 0.00 -0.33 -0.98 121.76 133.14 3nal s ALA 699 Ca 0.20 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3nal s ALA 699 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3nal s ALA 699 CO 0.11 0.56 -0.12 1.41 0.00 0.00 0.00 175.76 177.73 3nal s MET 700 N -0.80 1.05 0.24 0.00 0.00 -0.52 -0.94 119.30 118.33 3nal s MET 700 Ca 0.12 -0.42 0.01 0.00 0.00 0.00 0.00 55.69 55.40 3nal s MET 700 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 34.83 33.69 3nal s MET 700 CO 0.01 0.22 0.41 0.95 0.00 0.00 0.00 175.02 176.61 3nal s THR 701 N -0.14 5.21 -0.00 10.11 -4.23 -0.96 0.03 115.64 125.66 3nal s THR 701 Ca 0.02 -0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 59.69 3nal s THR 701 Cb -0.06 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 70.09 3nal s THR 701 CO -0.00 -0.28 1.27 -0.83 -0.54 0.00 0.00 174.62 174.24 3nal s GLY 702 N -3.53 -0.20 0.00 3.99 0.00 -0.87 -4.80 107.32 101.91 3nal s GLY 702 Ca 0.37 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.32 3nal s GLY 702 CO 0.30 3.57 0.00 2.09 0.00 0.00 0.00 173.10 179.07 3nal n ASP 703 N -0.89 0.00 -4.99 1.64 5.75 -1.26 -3.04 116.55 113.76 3nal n ASP 703 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.59 3nal n ASP 703 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 3nal n ASP 703 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3nal s GLY 704 N 0.00 1.84 0.60 6.12 0.00 -1.26 -1.29 107.32 113.33 3nal s GLY 704 Ca 0.00 -1.62 0.38 0.00 0.00 0.00 0.00 44.72 43.48 3nal s GLY 704 CO 0.00 -1.47 2.16 -0.24 0.00 0.00 0.00 173.10 173.55 3nal h VAL 705 N 0.78 0.06 0.00 1.40 3.04 -1.73 -0.51 116.25 119.28 3nal h VAL 705 Ca -0.42 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3nal h VAL 705 Cb 1.27 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 3nal h VAL 705 CO 0.49 0.01 0.00 -0.55 -1.01 0.00 0.00 177.57 176.51 3nal h ASN 706 N 0.00 0.00 0.64 3.17 7.08 -1.78 -3.03 115.58 121.66 3nal h ASN 706 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3nal h ASN 706 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.51 3nal h ASN 706 CO 0.00 0.00 -1.26 0.47 -2.08 0.00 0.00 177.43 174.56 3nal n ASP 707 N -2.35 0.59 -0.31 6.14 8.00 -0.21 -4.40 116.55 124.01 3nal n ASP 707 Ca 0.04 0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.77 3nal n ASP 707 Cb 0.35 0.90 0.24 0.00 -0.02 0.00 0.00 41.12 42.59 3nal n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nal h ALA 708 N 2.10 1.35 -0.44 2.24 0.00 -1.46 0.19 119.26 123.23 3nal h ALA 708 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3nal h ALA 708 Cb 0.95 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3nal h ALA 708 CO 0.00 -0.05 0.16 -1.35 0.00 0.00 0.00 179.25 178.01 3nal h PRO 709 N 0.68 0.32 -0.20 0.00 0.11 -1.77 -1.03 132.00 130.10 3nal h PRO 709 Ca 0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.48 3nal h PRO 709 Cb 0.66 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3nal h PRO 709 CO -0.35 0.21 -0.21 0.00 -0.21 0.00 0.00 178.00 177.43 3nal h ALA 710 N 1.29 0.30 -0.80 -0.75 0.00 -1.61 -2.48 119.26 115.20 3nal h ALA 710 Ca 0.21 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.92 3nal h ALA 710 Cb 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3nal h ALA 710 CO -0.21 0.24 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 3nal h LEU 711 N 0.17 0.40 0.00 0.00 3.38 -0.41 0.16 115.31 119.02 3nal h LEU 711 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3nal h LEU 711 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3nal h LEU 711 CO 0.05 0.19 -0.40 1.17 0.09 0.00 0.00 178.44 179.55 3nal n LYS 712 N -4.49 0.25 -0.00 1.13 4.81 -0.41 -3.61 118.16 115.84 3nal n LYS 712 Ca 0.16 0.12 -0.02 0.00 -0.87 0.00 0.00 58.31 57.70 3nal n LYS 712 Cb 0.58 -1.71 -0.11 0.00 0.02 0.00 0.00 35.03 33.81 3nal n LYS 712 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3nal n LYS 713 N -2.10 0.64 -0.89 1.64 4.81 0.43 -4.89 118.16 117.79 3nal n LYS 713 Ca 0.04 0.14 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 3nal n LYS 713 Cb 0.43 -1.72 0.22 0.00 0.02 0.00 0.00 35.03 33.97 3nal n LYS 713 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3nal s ALA 714 N -2.86 0.24 0.16 3.14 0.00 -0.32 -4.92 121.76 117.19 3nal s ALA 714 Ca -0.05 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3nal s ALA 714 Cb 0.09 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3nal s ALA 714 CO 0.83 -3.41 1.37 0.93 0.00 0.00 0.00 175.76 175.47 3nal h GLU 715 N -2.34 0.11 -3.34 0.00 3.07 -1.39 -3.42 114.58 107.28 3nal h GLU 715 Ca -0.57 -0.13 -0.44 0.00 -0.50 0.00 0.00 59.36 57.72 3nal h GLU 715 Cb 1.33 0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 28.89 3nal h GLU 715 CO 0.52 0.93 -0.75 0.42 -1.40 0.00 0.00 179.01 178.73 3nal s ILE 716 N -3.09 0.10 -0.17 3.13 1.09 -1.00 -4.95 121.20 116.31 3nal s ILE 716 Ca -0.02 0.00 -0.18 0.00 -1.10 0.00 0.00 60.65 59.36 3nal s ILE 716 Cb 0.10 -0.52 -0.04 0.00 -1.06 0.00 0.00 42.46 40.95 3nal s ILE 716 CO 0.82 -0.02 0.50 -0.83 -0.10 0.00 0.00 174.94 175.30 3nal s GLY 717 N 2.07 2.19 -0.26 6.18 0.00 -1.24 -1.43 107.32 114.83 3nal s GLY 717 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.38 3nal s GLY 717 CO -0.06 0.96 -0.01 -0.42 0.00 0.00 0.00 173.10 173.57 3nal s ILE 718 N 1.25 3.35 0.05 0.90 1.01 0.10 -1.12 121.20 126.75 3nal s ILE 718 Ca 0.25 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3nal s ILE 718 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3nal s ILE 718 CO 0.10 0.19 0.13 0.00 0.00 0.00 0.00 174.94 175.36 3nal s ALA 719 N 1.41 3.75 0.09 9.38 0.00 -0.35 -2.04 121.76 134.01 3nal s ALA 719 Ca 0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 3nal s ALA 719 Cb -0.16 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 3nal s ALA 719 CO -0.02 0.77 0.96 -1.64 0.00 0.00 0.00 175.76 175.83 3nal s MET 720 N -2.29 4.67 0.33 0.00 -1.94 -1.17 -0.41 119.30 118.49 3nal s MET 720 Ca 0.30 1.43 0.06 0.00 -1.71 0.00 0.00 55.69 55.77 3nal s MET 720 Cb -0.12 -3.39 0.71 0.00 2.01 0.00 0.00 34.83 34.04 3nal s MET 720 CO 0.23 0.18 1.88 0.78 -0.01 0.00 0.00 175.02 178.07 3nal h GLY 721 N 5.76 1.30 1.13 -0.03 0.00 -1.39 0.36 103.07 110.21 3nal h GLY 721 Ca -0.43 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3nal h GLY 721 CO 0.72 0.15 -0.01 -1.14 0.00 0.00 0.00 176.54 176.25 3nal n SER 722 N -4.56 0.13 -4.06 0.19 3.41 -1.26 -4.90 113.62 102.57 3nal n SER 722 Ca 0.17 -0.65 -0.30 0.00 -0.26 0.00 0.00 58.87 57.83 3nal n SER 722 Cb 0.38 -0.12 0.20 0.00 -0.26 0.00 0.00 64.21 64.42 3nal n SER 722 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3nal s GLY 723 N -2.28 1.74 0.97 5.00 0.00 0.13 -5.04 107.32 107.84 3nal s GLY 723 Ca 0.38 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 3nal s GLY 723 CO 0.42 -0.36 1.08 -0.51 0.00 0.00 0.00 173.10 173.73 3nal s THR 724 N -3.71 2.36 -0.15 0.90 -4.23 -0.41 -4.91 115.64 105.50 3nal s THR 724 Ca 0.73 0.12 0.16 0.00 -1.18 0.00 0.00 61.69 61.53 3nal s THR 724 Cb -0.05 -2.42 0.10 0.00 1.34 0.00 0.00 72.50 71.47 3nal s THR 724 CO 0.54 -0.15 1.49 0.00 -0.54 0.00 0.00 174.62 175.95 3nal h ALA 725 N -1.90 0.73 -0.21 3.99 0.00 -1.96 -2.83 119.26 117.09 3nal h ALA 725 Ca -0.52 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 3nal h ALA 725 Cb 1.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3nal h ALA 725 CO 0.51 0.55 -0.07 0.28 0.00 0.00 0.00 179.25 180.52 3nal h VAL 726 N 0.00 1.30 -0.42 0.00 2.07 -1.91 0.77 116.25 118.06 3nal h VAL 726 Ca -0.00 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.46 3nal h VAL 726 Cb 1.30 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3nal h VAL 726 CO 0.06 0.33 0.16 0.00 0.02 0.00 0.00 177.57 178.14 3nal h ALA 727 N 0.72 0.50 -0.08 1.67 0.00 -1.78 -2.48 119.26 117.82 3nal h ALA 727 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3nal h ALA 727 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3nal h ALA 727 CO 0.03 -0.22 0.05 0.87 0.00 0.00 0.00 179.25 179.98 3nal h LYS 728 N 0.34 0.10 0.00 0.00 1.57 -1.23 -2.29 116.57 115.06 3nal h LYS 728 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3nal h LYS 728 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3nal h LYS 728 CO -0.18 0.08 0.00 0.25 -0.57 0.00 0.00 179.45 179.03 3nal n THR 729 N -5.03 1.19 0.67 -0.16 -2.24 0.24 -1.84 114.28 107.11 3nal n THR 729 Ca -0.06 0.30 0.08 0.00 -2.27 0.00 0.00 64.05 62.10 3nal n THR 729 Cb 0.03 -1.13 0.06 0.00 -2.10 0.00 0.00 70.33 67.19 3nal n THR 729 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nal n ALA 730 N -1.45 2.56 -2.75 6.98 0.00 -0.89 -4.15 120.51 120.82 3nal n ALA 730 Ca 0.03 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 3nal n ALA 730 Cb 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 3nal n ALA 730 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3nal s SER 731 N -1.41 5.17 0.23 0.00 1.04 -0.77 -3.86 113.70 114.11 3nal s SER 731 Ca 0.18 -0.35 0.22 0.00 0.48 0.00 0.00 55.95 56.48 3nal s SER 731 Cb 0.13 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 65.07 3nal s SER 731 CO 0.23 0.01 1.10 -0.33 0.98 0.00 0.00 173.24 175.23 3nal h GLU 732 N 1.91 0.00 -3.62 4.02 3.07 -1.39 -3.46 114.58 115.11 3nal h GLU 732 Ca -0.47 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.22 3nal h GLU 732 Cb 1.23 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.91 3nal h GLU 732 CO 0.61 0.01 -0.58 1.41 -1.40 0.00 0.00 179.01 179.05 3nal s MET 733 N -3.34 0.32 -0.06 2.33 -2.45 -0.94 -1.53 119.30 113.63 3nal s MET 733 Ca 0.00 -0.27 0.06 0.00 -1.25 0.00 0.00 55.69 54.22 3nal s MET 733 Cb 0.09 0.13 -0.01 0.00 1.25 0.00 0.00 34.83 36.29 3nal s MET 733 CO 0.78 -0.07 -0.24 0.08 1.05 0.00 0.00 175.02 176.62 3nal s VAL 734 N -0.94 1.99 -0.70 10.11 1.01 0.22 -1.21 120.40 130.89 3nal s VAL 734 Ca -0.10 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 3nal s VAL 734 Cb -0.06 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.73 3nal s VAL 734 CO 0.00 0.55 0.90 -0.76 0.00 0.00 0.00 175.10 175.80 3nal s LEU 735 N -0.08 4.96 0.38 3.92 1.43 0.45 -1.51 118.68 128.23 3nal s LEU 735 Ca -0.06 -1.43 0.16 0.00 -1.03 0.00 0.00 54.13 51.77 3nal s LEU 735 Cb -0.14 -2.37 1.04 0.00 0.03 0.00 0.00 46.19 44.75 3nal s LEU 735 CO 0.04 -1.22 1.76 0.00 0.23 0.00 0.00 176.35 177.16 3nal h ALA 736 N 9.22 2.11 -0.43 4.21 0.00 -1.82 0.12 119.26 132.67 3nal h ALA 736 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3nal h ALA 736 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3nal h ALA 736 CO 1.12 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 3nal n ASP 737 N -4.69 3.72 -0.46 0.00 5.75 -1.26 -4.58 116.55 115.02 3nal n ASP 737 Ca 0.26 -2.37 -0.05 0.00 -0.01 0.00 0.00 54.79 52.62 3nal n ASP 737 Cb 0.84 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 3nal n ASP 737 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3nal n ASP 738 N 0.50 -3.98 -4.71 -1.12 8.00 0.28 -4.91 116.55 110.61 3nal n ASP 738 Ca 0.19 0.12 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 3nal n ASP 738 Cb 0.68 -2.85 -0.05 0.00 -0.02 0.00 0.00 41.12 38.88 3nal n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3nal s ASN 739 N -1.64 6.98 0.23 -2.24 3.84 -1.26 -3.89 114.94 116.96 3nal s ASN 739 Ca 0.00 1.18 -0.07 0.00 0.21 0.00 0.00 52.86 54.18 3nal s ASN 739 Cb 0.00 -2.41 0.30 0.00 -0.55 0.00 0.00 41.25 38.59 3nal s ASN 739 CO 0.00 -0.14 1.85 0.15 -2.79 0.00 0.00 177.10 176.17 3nal h PHE 740 N 6.82 0.93 -0.54 0.43 3.57 -1.80 -0.63 116.94 125.72 3nal h PHE 740 Ca -0.40 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.24 3nal h PHE 740 Cb 1.19 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 3nal h PHE 740 CO 0.65 0.48 0.37 0.66 -2.23 0.00 0.00 178.31 178.24 3nal h SER 741 N 0.92 0.22 -0.83 0.41 4.64 -1.87 0.23 113.55 117.28 3nal h SER 741 Ca 0.35 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.76 3nal h SER 741 Cb 0.15 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3nal h SER 741 CO -0.17 0.13 0.54 0.74 -0.87 0.00 0.00 176.83 177.20 3nal h THR 742 N 0.24 1.01 0.97 2.95 2.02 -1.45 -0.37 112.91 118.28 3nal h THR 742 Ca 0.25 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3nal h THR 742 Cb 0.67 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3nal h THR 742 CO -0.05 0.16 -0.46 0.40 0.37 0.00 0.00 175.52 175.93 3nal h ILE 743 N 0.86 0.02 -0.73 3.11 2.04 -0.57 -1.65 117.51 120.60 3nal h ILE 743 Ca 0.37 -0.03 0.14 0.00 1.00 0.00 0.00 64.86 66.33 3nal h ILE 743 Cb 0.31 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.32 3nal h ILE 743 CO -0.14 0.00 0.28 0.58 0.00 0.00 0.00 178.15 178.87 3nal h VAL 744 N -1.33 0.66 -0.75 1.67 2.07 -1.28 0.46 116.25 117.75 3nal h VAL 744 Ca -0.13 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.35 3nal h VAL 744 Cb 1.00 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3nal h VAL 744 CO 0.22 0.08 0.50 0.00 0.02 0.00 0.00 177.57 178.38 3nal h ALA 745 N 1.53 1.85 -0.14 1.67 0.00 -0.94 -1.18 119.26 122.06 3nal h ALA 745 Ca 0.40 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.09 3nal h ALA 745 Cb 0.59 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nal h ALA 745 CO -0.40 -0.02 -0.73 0.00 0.00 0.00 0.00 179.25 178.10 3nal h ALA 746 N 1.62 0.28 -0.69 0.00 0.00 0.84 -2.80 119.26 118.51 3nal h ALA 746 Ca 0.35 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3nal h ALA 746 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3nal h ALA 746 CO -0.13 0.62 0.34 0.28 0.00 0.00 0.00 179.25 180.36 3nal h VAL 747 N 0.45 1.22 0.53 0.00 2.07 -0.42 -1.15 116.25 118.94 3nal h VAL 747 Ca -0.05 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3nal h VAL 747 Cb 1.36 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3nal h VAL 747 CO 0.15 0.26 -0.25 -0.08 0.02 0.00 0.00 177.57 177.66 3nal h GLU 748 N 0.97 -0.68 -0.80 1.57 4.81 -1.19 -1.88 114.58 117.38 3nal h GLU 748 Ca 0.24 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.69 3nal h GLU 748 Cb 0.09 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 3nal h GLU 748 CO -0.03 -0.43 0.27 0.93 -0.73 0.00 0.00 179.01 179.02 3nal h GLU 749 N -0.77 0.34 -0.33 1.92 4.39 -1.31 0.39 114.58 119.21 3nal h GLU 749 Ca -0.07 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.68 3nal h GLU 749 Cb 0.57 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.08 3nal h GLU 749 CO 0.12 0.23 -0.11 0.78 -1.16 0.00 0.00 179.01 178.86 3nal h GLY 750 N 0.35 0.19 1.15 -3.84 0.00 -0.78 0.30 103.07 100.44 3nal h GLY 750 Ca 0.46 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.95 3nal h GLY 750 CO -0.50 -0.15 0.55 3.21 0.00 0.00 0.00 176.54 179.66 3nal h ARG 751 N -0.04 1.07 0.60 4.80 3.08 -0.18 -1.18 114.38 122.52 3nal h ARG 751 Ca 0.16 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3nal h ARG 751 Cb 0.29 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.11 3nal h ARG 751 CO -0.37 0.71 -0.29 0.00 -1.07 0.00 0.00 179.97 178.96 3nal h ALA 752 N 1.49 -1.13 -0.70 0.04 0.00 0.16 -2.51 119.26 116.61 3nal h ALA 752 Ca 0.31 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3nal h ALA 752 Cb -0.09 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 3nal h ALA 752 CO -0.07 -1.07 -0.54 0.82 0.00 0.00 0.00 179.25 178.39 3nal h ILE 753 N -0.86 0.02 -1.00 0.00 1.08 -0.27 0.20 117.51 116.68 3nal h ILE 753 Ca -0.08 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.56 3nal h ILE 753 Cb 0.62 0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.29 3nal h ILE 753 CO 0.14 0.00 0.62 0.22 -0.69 0.00 0.00 178.15 178.43 3nal h TYR 754 N -0.19 1.07 -0.30 1.37 3.20 -1.22 -0.39 116.97 120.51 3nal h TYR 754 Ca 0.14 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3nal h TYR 754 Cb 0.52 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3nal h TYR 754 CO -0.85 0.29 0.13 -0.91 -1.64 0.00 0.00 178.16 175.18 3nal h ASN 755 N 0.81 0.18 0.18 -2.11 4.21 -0.49 0.99 115.58 119.35 3nal h ASN 755 Ca 0.55 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 58.08 3nal h ASN 755 Cb 0.81 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 3nal h ASN 755 CO -0.34 0.14 -0.09 0.78 -1.29 0.00 0.00 177.43 176.63 3nal h ASN 756 N 0.28 -0.20 -0.88 5.81 2.35 -1.21 -2.87 115.58 118.86 3nal h ASN 756 Ca 0.13 -0.30 0.23 0.00 -0.55 0.00 0.00 56.30 55.81 3nal h ASN 756 Cb 0.07 0.05 -0.14 0.00 0.05 0.00 0.00 38.32 38.35 3nal h ASN 756 CO -0.11 0.24 0.26 -0.03 -1.65 0.00 0.00 177.43 176.14 3nal h MET 757 N -0.69 0.22 0.00 0.81 4.05 -0.91 0.86 114.93 119.26 3nal h MET 757 Ca -0.02 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 3nal h MET 757 Cb 0.49 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3nal h MET 757 CO 0.04 0.15 -0.11 -0.22 0.23 0.00 0.00 176.91 176.99 3nal h LYS 758 N 0.23 0.00 0.13 0.39 3.64 0.11 -2.25 116.57 118.81 3nal h LYS 758 Ca 0.56 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.93 3nal h LYS 758 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3nal h LYS 758 CO -0.64 0.11 -0.06 1.96 -2.27 0.00 0.00 179.45 178.55 3nal h GLN 759 N 0.00 -0.16 -0.27 1.90 1.08 0.93 -2.93 115.11 115.65 3nal h GLN 759 Ca -0.00 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.29 3nal h GLN 759 Cb 0.21 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3nal h GLN 759 CO 0.01 -0.11 0.38 0.27 -0.95 0.00 0.00 178.83 178.43 3nal h PHE 760 N -0.73 0.00 -0.10 2.96 -5.15 -1.32 0.16 116.94 112.77 3nal h PHE 760 Ca -0.02 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.70 3nal h PHE 760 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.30 3nal h PHE 760 CO 0.01 0.00 -0.15 0.82 -2.00 0.00 0.00 178.31 176.99 3nal h ILE 761 N 0.00 1.38 -0.92 0.88 2.04 -1.48 -1.65 117.51 117.76 3nal h ILE 761 Ca 0.13 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3nal h ILE 761 Cb 0.88 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 3nal h ILE 761 CO -0.00 0.40 0.59 0.03 0.00 0.00 0.00 178.15 179.17 3nal h ARG 762 N -0.15 1.11 0.82 2.37 3.08 -0.56 0.17 114.38 121.21 3nal h ARG 762 Ca 0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3nal h ARG 762 Cb 0.71 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3nal h ARG 762 CO 0.03 0.74 -0.43 -0.92 -1.07 0.00 0.00 179.97 178.32 3nal h TYR 763 N 1.14 -1.12 -0.33 3.04 3.20 -0.99 0.24 116.97 122.15 3nal h TYR 763 Ca 0.37 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3nal h TYR 763 Cb 0.02 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3nal h TYR 763 CO -0.01 -0.67 0.18 -0.07 -1.64 0.00 0.00 178.16 175.94 3nal h LEU 764 N -1.14 0.41 -0.42 2.82 3.38 -1.11 -2.04 115.31 117.22 3nal h LEU 764 Ca -0.11 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3nal h LEU 764 Cb 0.89 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3nal h LEU 764 CO 0.16 0.39 0.20 0.40 0.09 0.00 0.00 178.44 179.68 3nal h ILE 765 N 0.41 0.96 -0.29 1.22 1.08 -0.60 -1.98 117.51 118.30 3nal h ILE 765 Ca 0.12 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 3nal h ILE 765 Cb 0.07 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.30 3nal h ILE 765 CO -0.02 0.07 0.06 0.77 -0.69 0.00 0.00 178.15 178.35 3nal h SER 766 N 0.40 0.02 -0.85 1.72 4.64 -0.18 -0.99 113.55 118.30 3nal h SER 766 Ca 0.18 0.05 0.11 0.00 -0.47 0.00 0.00 61.79 61.66 3nal h SER 766 Cb 0.10 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3nal h SER 766 CO -0.13 0.04 0.48 0.77 -0.87 0.00 0.00 176.83 177.12 3nal h SER 767 N 0.17 0.67 -0.92 4.97 4.64 -1.02 0.22 113.55 122.27 3nal h SER 767 Ca 0.14 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3nal h SER 767 Cb 0.14 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.12 3nal h SER 767 CO -0.18 0.36 0.59 0.78 -0.87 0.00 0.00 176.83 177.51 3nal h ASN 768 N 0.77 1.08 -0.32 4.97 4.21 -0.46 -0.15 115.58 125.69 3nal h ASN 768 Ca 0.43 -0.05 0.06 0.00 1.21 0.00 0.00 56.30 57.95 3nal h ASN 768 Cb 0.46 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.33 3nal h ASN 768 CO -0.28 0.80 -0.03 0.58 -1.29 0.00 0.00 177.43 177.21 3nal h VAL 769 N 1.26 0.73 -0.39 2.81 2.07 0.28 -0.70 116.25 122.31 3nal h VAL 769 Ca 0.33 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.78 3nal h VAL 769 Cb -0.10 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3nal h VAL 769 CO -0.07 0.01 0.03 1.23 0.02 0.00 0.00 177.57 178.79 3nal h GLY 770 N 0.05 0.72 0.36 2.17 0.00 -0.66 -1.75 103.07 103.95 3nal h GLY 770 Ca 0.15 -0.51 0.14 0.00 0.00 0.00 0.00 47.33 47.12 3nal h GLY 770 CO -0.29 0.47 0.62 0.83 0.00 0.00 0.00 176.54 178.17 3nal h GLU 771 N 0.50 0.88 -0.40 4.80 5.08 -0.61 0.14 114.58 124.97 3nal h GLU 771 Ca 0.11 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3nal h GLU 771 Cb 0.42 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3nal h GLU 771 CO 0.01 0.58 -0.17 0.28 -1.00 0.00 0.00 179.01 178.72 3nal h VAL 772 N 0.91 1.28 -1.00 3.13 2.07 -0.77 -2.54 116.25 119.33 3nal h VAL 772 Ca 0.52 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3nal h VAL 772 Cb 0.62 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3nal h VAL 772 CO -0.30 0.44 0.65 0.58 0.02 0.00 0.00 177.57 178.95 3nal h VAL 773 N 0.64 1.15 0.60 2.57 2.07 -0.14 0.48 116.25 123.61 3nal h VAL 773 Ca 0.09 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3nal h VAL 773 Cb 0.72 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3nal h VAL 773 CO 0.05 0.23 -0.49 0.00 0.02 0.00 0.00 177.57 177.38 3nal h ILE 775 N -1.06 0.77 -0.00 0.00 1.08 -0.96 0.87 117.51 118.21 3nal h ILE 775 Ca -0.08 -0.08 -0.14 0.00 -0.39 0.00 0.00 64.86 64.18 3nal h ILE 775 Cb 0.90 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 3nal h ILE 775 CO -0.01 0.04 -0.64 0.15 -0.69 0.00 0.00 178.15 177.00 3nal h PHE 776 N 0.24 0.00 0.05 1.37 3.57 -0.19 -2.95 116.94 119.04 3nal h PHE 776 Ca 0.32 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3nal h PHE 776 Cb 0.93 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3nal h PHE 776 CO -0.00 0.64 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.63 3nal h LEU 777 N 0.00 -0.06 -1.33 0.59 3.38 0.50 -1.25 115.31 117.14 3nal h LEU 777 Ca -0.01 -0.34 0.47 0.00 0.09 0.00 0.00 57.88 58.09 3nal h LEU 777 Cb 1.14 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 3nal h LEU 777 CO 0.08 0.59 0.83 0.00 0.09 0.00 0.00 178.44 180.03 3nal h THR 778 N -0.99 0.01 0.00 0.22 1.03 -1.12 0.19 112.91 112.25 3nal h THR 778 Ca -0.01 -0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.24 3nal h THR 778 Cb 0.40 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.45 3nal h THR 778 CO 0.01 0.00 -1.89 0.00 -0.01 0.00 0.00 175.52 173.63 3nal n ALA 779 N -2.48 2.17 1.27 0.00 0.00 -1.11 -1.73 120.51 118.63 3nal n ALA 779 Ca 0.40 -0.75 0.14 0.00 0.00 0.00 0.00 53.44 53.22 3nal n ALA 779 Cb 1.52 -0.66 0.69 0.00 0.00 0.00 0.00 19.45 21.00 3nal n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nal n ALA 780 N -2.44 2.37 -0.06 0.00 0.00 0.53 -3.12 120.51 117.79 3nal n ALA 780 Ca -0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 3nal n ALA 780 Cb 0.82 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 3nal n ALA 780 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3nal n LEU 781 N -1.31 0.69 0.00 0.00 4.77 -0.43 -4.91 117.00 115.80 3nal n LEU 781 Ca 0.12 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3nal n LEU 781 Cb 0.23 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3nal n LEU 781 CO 0.22 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3nal n GLY 782 N 2.44 0.81 3.96 -0.72 0.00 -1.12 -4.84 105.19 105.72 3nal n GLY 782 Ca -0.20 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 3nal n GLY 782 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3nal s LEU 783 N 0.00 2.91 0.29 0.99 0.05 -0.70 -4.52 118.68 117.70 3nal s LEU 783 Ca 0.00 0.03 -0.29 0.00 0.05 0.00 0.00 54.13 53.92 3nal s LEU 783 Cb 0.00 -2.46 -0.10 0.00 -2.05 0.00 0.00 46.19 41.58 3nal s LEU 783 CO 0.00 -1.88 1.30 -2.84 -0.55 0.00 0.00 176.35 172.39 3nal s PRO 784 N -5.27 4.38 -0.32 1.48 0.02 -1.26 -4.69 135.00 129.33 3nal s PRO 784 Ca 0.65 2.15 -0.40 0.00 0.02 0.00 0.00 61.00 63.42 3nal s PRO 784 Cb -0.07 -3.11 -0.16 0.00 0.02 0.00 0.00 34.50 31.18 3nal s PRO 784 CO 0.45 -0.19 1.83 0.39 -0.33 0.00 0.00 177.00 179.15 3nal n GLU 785 N 1.38 0.99 0.04 5.54 1.02 -1.26 -4.80 120.64 123.55 3nal n GLU 785 Ca 0.02 0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.42 3nal n GLU 785 Cb 0.42 -2.08 -0.13 0.00 -0.02 0.00 0.00 31.44 29.63 3nal n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nal h ALA 786 N 7.93 0.45 -3.92 0.62 0.00 -1.94 -3.46 119.26 118.94 3nal h ALA 786 Ca -0.41 -1.09 -0.46 0.00 0.00 0.00 0.00 54.91 52.95 3nal h ALA 786 Cb 1.33 0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.89 3nal h ALA 786 CO 0.98 1.32 -0.80 -0.51 0.00 0.00 0.00 179.25 180.24 3nal s LEU 787 N -6.59 1.87 -0.07 0.00 1.43 -1.26 -4.46 118.68 109.61 3nal s LEU 787 Ca -0.02 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3nal s LEU 787 Cb 0.09 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 3nal s LEU 787 CO 0.83 0.11 0.09 -0.63 0.23 0.00 0.00 176.35 176.98 3nal s ILE 788 N 0.04 4.99 0.33 -0.59 -1.09 -1.26 -5.00 121.20 118.62 3nal s ILE 788 Ca -0.01 -0.12 0.12 0.00 -2.23 0.00 0.00 60.65 58.41 3nal s ILE 788 Cb -0.08 -3.21 0.32 0.00 -1.58 0.00 0.00 42.46 37.91 3nal s ILE 788 CO 0.01 0.51 1.69 -0.65 -1.23 0.00 0.00 174.94 175.26 3nal h PRO 789 N 4.65 0.42 -0.44 2.79 0.11 -1.93 0.19 132.00 137.79 3nal h PRO 789 Ca -0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 3nal h PRO 789 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3nal h PRO 789 CO 0.60 0.28 0.27 0.28 -0.21 0.00 0.00 178.00 179.22 3nal h VAL 790 N 0.43 1.13 -0.01 3.15 2.07 -1.95 0.83 116.25 121.91 3nal h VAL 790 Ca 0.69 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.93 3nal h VAL 790 Cb 1.46 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3nal h VAL 790 CO -0.55 0.13 0.00 1.56 0.02 0.00 0.00 177.57 178.73 3nal h GLN 791 N 0.58 0.01 -0.48 1.57 4.20 -1.04 -2.08 115.11 117.88 3nal h GLN 791 Ca 0.16 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.96 3nal h GLN 791 Cb -0.03 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.67 3nal h GLN 791 CO -0.03 0.27 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.26 3nal h LEU 792 N -0.24 -0.35 -0.04 1.46 3.38 -0.82 0.03 115.31 118.73 3nal h LEU 792 Ca 0.00 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3nal h LEU 792 Cb 0.26 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3nal h LEU 792 CO 0.00 -0.12 -0.16 -0.07 0.09 0.00 0.00 178.44 178.17 3nal h LEU 793 N 0.04 -0.48 -0.95 1.67 3.38 -0.70 0.25 115.31 118.53 3nal h LEU 793 Ca 0.24 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.43 3nal h LEU 793 Cb 0.36 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 3nal h LEU 793 CO -0.46 -0.22 0.56 -0.25 0.09 0.00 0.00 178.44 178.17 3nal h TRP 794 N -0.25 1.00 -0.10 1.13 2.91 -0.56 0.26 115.95 120.35 3nal h TRP 794 Ca 0.06 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.02 3nal h TRP 794 Cb 0.33 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3nal h TRP 794 CO -0.23 0.31 -0.32 0.28 -1.03 0.00 0.00 178.44 177.45 3nal h VAL 795 N 0.82 1.39 0.00 2.65 2.07 -0.20 0.33 116.25 123.31 3nal h VAL 795 Ca 0.50 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3nal h VAL 795 Cb 0.64 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3nal h VAL 795 CO -0.32 0.48 -0.08 0.78 0.02 0.00 0.00 177.57 178.45 3nal h ASN 796 N -0.05 0.00 0.00 0.57 2.35 0.06 0.35 115.58 118.86 3nal h ASN 796 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3nal h ASN 796 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3nal h ASN 796 CO 0.07 0.08 -0.43 0.18 -1.65 0.00 0.00 177.43 175.69 3nal n LEU 797 N -3.23 1.00 0.00 1.61 4.77 0.88 -2.21 117.00 119.83 3nal n LEU 797 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3nal n LEU 797 Cb 0.34 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3nal n LEU 797 CO 0.29 -0.42 0.00 0.52 -1.33 0.00 0.00 177.39 176.45 3nal n VAL 798 N -3.53 0.00 -0.25 4.08 0.31 0.11 -2.90 118.33 116.16 3nal n VAL 798 Ca -0.06 0.26 0.20 0.00 -0.01 0.00 0.00 64.34 64.73 3nal n VAL 798 Cb 0.22 -0.81 0.52 0.00 -0.91 0.00 0.00 33.84 32.86 3nal n VAL 798 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3nal h THR 799 N 0.00 0.66 0.00 2.52 1.35 -1.56 -1.62 112.91 114.26 3nal h THR 799 Ca 0.00 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.60 3nal h THR 799 Cb 0.00 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3nal h THR 799 CO 0.00 0.07 -1.37 0.47 -0.25 0.00 0.00 175.52 174.44 3nal n ASP 800 N -4.51 0.80 0.20 5.36 9.92 0.11 -4.25 116.55 124.18 3nal n ASP 800 Ca 0.20 0.34 -0.15 0.00 -0.53 0.00 0.00 54.79 54.65 3nal n ASP 800 Cb 0.72 0.33 -0.08 0.00 -0.64 0.00 0.00 41.12 41.45 3nal n ASP 800 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3nal h GLY 801 N 3.80 -0.49 -0.43 0.44 0.00 -1.17 -1.89 103.07 103.34 3nal h GLY 801 Ca -0.13 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.49 3nal h GLY 801 CO 0.03 -0.18 -0.34 1.41 0.00 0.00 0.00 176.54 177.47 3nal h LEU 802 N -0.61 -1.17 -1.14 3.11 3.38 -1.66 0.32 115.31 117.54 3nal h LEU 802 Ca -0.05 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3nal h LEU 802 Cb 0.45 0.58 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3nal h LEU 802 CO 0.08 -0.30 -0.05 -0.65 0.09 0.00 0.00 178.44 177.60 3nal h PRO 803 N -0.16 0.54 -0.19 1.13 0.11 -1.73 -1.46 132.00 130.23 3nal h PRO 803 Ca 0.23 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 3nal h PRO 803 Cb 0.55 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3nal h PRO 803 CO -0.68 0.60 0.05 0.00 -0.21 0.00 0.00 178.00 177.76 3nal h ALA 804 N 1.44 0.25 -0.69 -0.75 0.00 0.03 -0.79 119.26 118.75 3nal h ALA 804 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3nal h ALA 804 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3nal h ALA 804 CO 0.02 -0.10 0.26 1.79 0.00 0.00 0.00 179.25 181.22 3nal h THR 805 N 0.12 1.24 -0.40 0.00 1.35 -0.28 -2.10 112.91 112.85 3nal h THR 805 Ca 0.06 -0.78 0.06 0.00 -0.55 0.00 0.00 66.41 65.19 3nal h THR 805 Cb 0.27 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 67.07 3nal h THR 805 CO 0.00 0.31 0.11 0.00 -0.25 0.00 0.00 175.52 175.69 3nal h ALA 806 N 1.27 0.45 0.00 6.62 0.00 -0.94 0.31 119.26 126.98 3nal h ALA 806 Ca 0.23 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3nal h ALA 806 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3nal h ALA 806 CO -0.02 -0.29 0.26 -0.07 0.00 0.00 0.00 179.25 179.13 3nal h LEU 807 N 0.25 0.00 -1.25 0.00 3.38 -0.44 0.48 115.31 117.73 3nal h LEU 807 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3nal h LEU 807 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3nal h LEU 807 CO -0.23 0.00 -0.16 1.23 0.09 0.00 0.00 178.44 179.37 3nal h GLY 808 N 0.00 0.00 -3.49 0.83 0.00 -0.22 -3.03 103.07 97.16 3nal h GLY 808 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3nal h GLY 808 CO 0.00 0.00 0.31 0.69 0.00 0.00 0.00 176.54 177.54 3nal n PHE 809 N -3.34 2.39 -1.96 5.60 3.72 0.17 -4.83 117.46 119.21 3nal n PHE 809 Ca 0.00 -1.36 -0.40 0.00 -0.05 0.00 0.00 57.45 55.64 3nal n PHE 809 Cb 0.39 -0.71 -0.01 0.00 -0.94 0.00 0.00 39.48 38.21 3nal n PHE 809 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3nal s ASN 810 N -1.28 6.43 0.22 4.37 -0.87 -1.15 -4.91 114.94 117.76 3nal s ASN 810 Ca 0.54 2.83 -0.32 0.00 -1.57 0.00 0.00 52.86 54.34 3nal s ASN 810 Cb 0.44 -2.65 -0.14 0.00 -0.02 0.00 0.00 41.25 38.88 3nal s ASN 810 CO 0.12 -0.79 1.45 -0.81 -2.57 0.00 0.00 177.10 174.50 3nal n PRO 811 N 0.43 2.06 -2.61 -0.60 -0.04 -1.26 -4.93 135.00 128.04 3nal n PRO 811 Ca 0.02 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 3nal n PRO 811 Cb 0.41 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 3nal n PRO 811 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3nal s PRO 812 N -0.11 4.67 0.54 0.54 0.02 -1.26 -5.00 135.00 134.41 3nal s PRO 812 Ca 0.71 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 63.14 3nal s PRO 812 Cb -0.66 -3.29 -0.07 0.00 0.02 0.00 0.00 34.50 30.50 3nal s PRO 812 CO 0.47 0.21 0.95 -0.25 -0.33 0.00 0.00 177.00 178.05 3nal n ASP 813 N 2.16 0.85 0.18 2.53 8.00 -1.26 -4.87 116.55 124.13 3nal n ASP 813 Ca 0.01 0.88 0.12 0.00 0.71 0.00 0.00 54.79 56.52 3nal n ASP 813 Cb 0.47 -1.37 0.25 0.00 -0.02 0.00 0.00 41.12 40.45 3nal n ASP 813 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3nal h LEU 814 N 0.85 0.00 -3.15 0.64 3.38 -2.05 -3.22 115.31 111.75 3nal h LEU 814 Ca -0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3nal h LEU 814 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3nal h LEU 814 CO 0.53 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.16 3nal n ASP 815 N -2.80 4.97 -0.16 -0.43 5.75 -1.26 -4.64 116.55 117.99 3nal n ASP 815 Ca 0.04 -2.68 -0.03 0.00 -0.01 0.00 0.00 54.79 52.12 3nal n ASP 815 Cb 0.50 -0.63 0.04 0.00 -1.03 0.00 0.00 41.12 40.00 3nal n ASP 815 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3nal h ILE 816 N 3.69 0.54 -0.37 2.12 2.04 -1.94 -1.63 117.51 121.96 3nal h ILE 816 Ca 0.00 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 3nal h ILE 816 Cb 1.66 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 3nal h ILE 816 CO 0.36 0.01 0.19 0.23 0.00 0.00 0.00 178.15 178.94 3nal n MET 817 N -5.32 1.92 0.00 2.37 2.81 -1.26 -3.63 117.12 114.01 3nal n MET 817 Ca 0.05 -1.32 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 3nal n MET 817 Cb 0.26 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 3nal n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3nal n ASP 818 N -0.05 0.12 -4.89 7.83 8.00 -0.62 -2.90 116.55 124.04 3nal n ASP 818 Ca 0.21 -0.49 -0.26 0.00 0.71 0.00 0.00 54.79 54.96 3nal n ASP 818 Cb 0.89 0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 42.66 3nal n ASP 818 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3nal s ARG 819 N -0.70 3.25 1.23 -1.24 0.52 -1.21 -4.75 118.95 116.06 3nal s ARG 819 Ca 0.00 -0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 54.33 3nal s ARG 819 Cb 0.00 -2.86 0.30 0.00 0.52 0.00 0.00 34.95 32.91 3nal s ARG 819 CO 0.00 0.51 1.07 -1.25 0.02 0.00 0.00 175.30 175.65 3nal s PRO 820 N -3.17 -1.48 0.24 3.54 0.04 -1.26 -4.49 135.00 128.43 3nal s PRO 820 Ca 0.33 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 3nal s PRO 820 Cb -0.11 -1.56 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 3nal s PRO 820 CO 0.27 -3.90 1.29 -2.14 0.04 0.00 0.00 177.00 172.56 3nal s PRO 821 N -5.30 4.41 0.34 0.56 0.02 -1.21 -4.94 135.00 128.88 3nal s PRO 821 Ca 0.70 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.51 3nal s PRO 821 Cb -0.11 -3.16 -0.11 0.00 0.02 0.00 0.00 34.50 31.14 3nal s PRO 821 CO 0.57 -0.19 1.54 0.50 -0.33 0.00 0.00 177.00 179.09 3nal s ARG 822 N -0.69 4.11 0.03 5.54 3.52 -1.26 -4.94 118.95 125.26 3nal s ARG 822 Ca 0.53 2.58 -0.30 0.00 -0.13 0.00 0.00 55.73 58.41 3nal s ARG 822 Cb -0.37 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 3nal s ARG 822 CO 0.42 -0.58 1.18 0.45 -0.81 0.00 0.00 175.30 175.95 3nal s SER 823 N 0.14 7.10 0.43 -2.12 0.15 -1.26 -4.86 113.70 113.28 3nal s SER 823 Ca 0.57 1.93 0.09 0.00 0.70 0.00 0.00 55.95 59.25 3nal s SER 823 Cb -0.47 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.20 3nal s SER 823 CO 0.57 -0.47 2.05 -0.65 1.20 0.00 0.00 173.24 175.93 3nal h PRO 824 N 6.97 0.36 0.00 5.44 0.11 -1.95 -2.05 132.00 140.88 3nal h PRO 824 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3nal h PRO 824 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3nal h PRO 824 CO 0.82 0.28 0.00 1.63 -0.21 0.00 0.00 178.00 180.53 3nal n LYS 825 N -4.45 0.94 -2.26 1.05 5.02 -1.26 -4.84 118.16 112.36 3nal n LYS 825 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3nal n LYS 825 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3nal n LYS 825 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3nal s GLU 826 N -2.00 4.28 0.39 1.97 2.12 -0.77 -4.98 118.70 119.71 3nal s GLU 826 Ca 0.44 1.91 -0.26 0.00 0.36 0.00 0.00 54.97 57.43 3nal s GLU 826 Cb 0.20 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 3nal s GLU 826 CO 0.34 -0.58 1.16 -2.14 -0.54 0.00 0.00 175.26 173.50 3nal s PRO 827 N 2.54 4.12 0.30 4.30 0.02 -1.26 -4.96 135.00 140.06 3nal s PRO 827 Ca 0.63 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.52 3nal s PRO 827 Cb -0.30 -2.73 0.47 0.00 0.02 0.00 0.00 34.50 31.97 3nal s PRO 827 CO 0.25 -0.26 1.75 -0.07 -0.33 0.00 0.00 177.00 178.34 3nal h LEU 828 N 2.75 0.42 -7.26 -5.54 3.38 -1.98 -3.42 115.31 103.66 3nal h LEU 828 Ca -0.49 -0.14 -0.29 0.00 0.09 0.00 0.00 57.88 57.06 3nal h LEU 828 Cb 1.23 -0.12 -0.35 0.00 0.09 0.00 0.00 40.66 41.51 3nal h LEU 828 CO 0.63 0.67 -0.63 -0.63 0.09 0.00 0.00 178.44 178.57 3nal s ILE 829 N -4.51 -0.26 0.21 1.22 1.01 -1.26 -5.00 121.20 112.61 3nal s ILE 829 Ca -0.06 0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.71 3nal s ILE 829 Cb 0.14 -0.30 0.07 0.00 0.01 0.00 0.00 42.46 42.38 3nal s ILE 829 CO 0.78 0.14 0.96 -0.94 0.00 0.00 0.00 174.94 175.88 3nal s SER 830 N 2.23 -0.07 1.67 3.58 1.04 -1.26 -4.84 113.70 116.04 3nal s SER 830 Ca 0.02 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3nal s SER 830 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3nal s SER 830 CO -0.06 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3nal n GLY 831 N -0.58 3.42 0.09 7.32 0.00 -1.26 -2.99 105.19 111.18 3nal n GLY 831 Ca -0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3nal n GLY 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3nal h TRP 832 N 0.00 0.18 -0.78 1.61 2.91 -2.00 -2.72 115.95 115.15 3nal h TRP 832 Ca 0.00 -0.02 0.23 0.00 1.13 0.00 0.00 58.89 60.23 3nal h TRP 832 Cb 0.00 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 3nal h TRP 832 CO 0.00 0.34 0.57 1.25 -1.03 0.00 0.00 178.44 179.58 3nal h LEU 833 N -0.04 0.00 0.70 0.65 5.85 -1.96 -0.28 115.31 120.22 3nal h LEU 833 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3nal h LEU 833 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.29 3nal h LEU 833 CO 0.00 0.00 -0.33 0.15 -0.34 0.00 0.00 178.44 177.92 3nal h PHE 834 N 0.00 -0.87 -0.98 1.25 3.57 -1.38 -2.67 116.94 115.86 3nal h PHE 834 Ca 0.37 -0.02 0.28 0.00 3.53 0.00 0.00 57.97 62.13 3nal h PHE 834 Cb 1.52 0.29 -0.14 0.00 2.79 0.00 0.00 35.95 40.41 3nal h PHE 834 CO 0.00 -0.54 0.53 0.35 -2.23 0.00 0.00 178.31 176.42 3nal h PHE 835 N -1.14 0.87 0.49 0.41 3.57 -1.00 0.40 116.94 120.53 3nal h PHE 835 Ca -0.10 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3nal h PHE 835 Cb 0.72 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3nal h PHE 835 CO 0.02 -0.09 -0.30 0.00 -2.23 0.00 0.00 178.31 175.71 3nal h ARG 836 N 0.41 -0.72 -0.13 1.11 3.08 -1.12 0.42 114.38 117.42 3nal h ARG 836 Ca 0.67 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.72 3nal h ARG 836 Cb 1.41 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.61 3nal h ARG 836 CO -0.56 -0.48 -0.15 1.88 -1.07 0.00 0.00 179.97 179.59 3nal h TYR 837 N -0.75 0.21 0.46 3.04 0.05 -0.88 0.86 116.97 119.97 3nal h TYR 837 Ca -0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3nal h TYR 837 Cb 0.61 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 3nal h TYR 837 CO -0.09 0.35 -0.46 1.98 -1.05 0.00 0.00 178.16 178.89 3nal h MET 838 N 0.19 -0.89 0.59 4.88 4.05 0.39 0.35 114.93 124.51 3nal h MET 838 Ca 0.04 0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 3nal h MET 838 Cb 0.39 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 3nal h MET 838 CO 0.02 -0.59 -0.29 0.00 0.23 0.00 0.00 176.91 176.28 3nal h ALA 839 N -0.99 -0.81 -0.73 0.39 0.00 0.72 -1.02 119.26 116.82 3nal h ALA 839 Ca -0.06 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.84 3nal h ALA 839 Cb 0.80 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 3nal h ALA 839 CO -0.06 -0.96 0.15 0.82 0.00 0.00 0.00 179.25 179.20 3nal h ILE 840 N -0.81 0.48 -0.20 0.00 1.08 0.75 0.26 117.51 119.07 3nal h ILE 840 Ca -0.08 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3nal h ILE 840 Cb 0.62 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 3nal h ILE 840 CO 0.13 0.04 0.00 1.23 -0.69 0.00 0.00 178.15 178.86 3nal h GLY 841 N 0.23 0.19 0.58 5.37 0.00 -0.06 0.10 103.07 109.49 3nal h GLY 841 Ca 0.41 0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.94 3nal h GLY 841 CO -0.54 -0.03 0.52 -1.33 0.00 0.00 0.00 176.54 175.16 3nal h GLY 842 N 0.07 0.50 0.41 4.60 0.00 0.74 -1.34 103.07 108.05 3nal h GLY 842 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3nal h GLY 842 CO -0.15 0.02 -0.09 -1.82 0.00 0.00 0.00 176.54 174.50 3nal h TYR 843 N 0.27 -0.22 -0.08 5.60 3.20 0.17 -2.92 116.97 122.98 3nal h TYR 843 Ca 0.38 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 3nal h TYR 843 Cb 1.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3nal h TYR 843 CO -0.00 0.20 -0.13 -0.39 -1.64 0.00 0.00 178.16 176.21 3nal h VAL 844 N -0.83 1.14 -0.24 1.81 -1.51 -0.93 0.59 116.25 116.28 3nal h VAL 844 Ca -0.02 -0.63 -0.05 0.00 -1.23 0.00 0.00 66.70 64.77 3nal h VAL 844 Cb 0.52 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3nal h VAL 844 CO 0.04 0.19 -0.07 1.23 -1.23 0.00 0.00 177.57 177.73 3nal h GLY 845 N 0.59 0.41 0.05 5.19 0.00 -1.30 -1.38 103.07 106.62 3nal h GLY 845 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3nal h GLY 845 CO 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 176.54 176.78 3nal h ALA 846 N 1.57 -0.03 -0.75 3.60 0.00 -1.08 -3.09 119.26 119.47 3nal h ALA 846 Ca 0.08 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.87 3nal h ALA 846 Cb 0.36 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 3nal h ALA 846 CO 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.25 3nal h ALA 847 N -0.39 0.81 -0.03 0.00 0.00 -0.84 0.40 119.26 119.20 3nal h ALA 847 Ca -0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3nal h ALA 847 Cb 0.58 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3nal h ALA 847 CO 0.00 -0.42 -0.01 1.79 0.00 0.00 0.00 179.25 180.61 3nal h THR 848 N 0.12 1.32 -0.10 0.00 1.35 -1.40 0.23 112.91 114.43 3nal h THR 848 Ca 0.42 -0.98 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 3nal h THR 848 Cb 0.74 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3nal h THR 848 CO -0.65 0.26 0.03 0.58 -0.25 0.00 0.00 175.52 175.49 3nal h VAL 849 N -0.34 1.17 -0.75 6.82 2.07 -1.37 -2.58 116.25 121.26 3nal h VAL 849 Ca 0.01 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3nal h VAL 849 Cb 0.43 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3nal h VAL 849 CO 0.00 0.15 0.43 1.23 0.02 0.00 0.00 177.57 179.40 3nal h GLY 850 N -0.01 1.11 0.19 2.17 0.00 -0.27 -0.96 103.07 105.29 3nal h GLY 850 Ca 0.03 -0.48 0.08 0.00 0.00 0.00 0.00 47.33 46.96 3nal h GLY 850 CO -0.00 0.47 -0.12 0.00 0.00 0.00 0.00 176.54 176.88 3nal h ALA 851 N 1.23 0.21 -0.11 3.60 0.00 -0.35 0.31 119.26 124.14 3nal h ALA 851 Ca 0.27 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 3nal h ALA 851 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3nal h ALA 851 CO -0.05 -0.48 -0.55 0.00 0.00 0.00 0.00 179.25 178.17 3nal h ALA 852 N 1.31 0.86 0.00 0.00 0.00 -1.25 -2.71 119.26 117.47 3nal h ALA 852 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3nal h ALA 852 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3nal h ALA 852 CO -0.41 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3nal h ALA 853 N 1.17 1.00 0.04 0.00 0.00 -0.41 -2.83 119.26 118.23 3nal h ALA 853 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3nal h ALA 853 Cb 1.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3nal h ALA 853 CO 0.09 0.00 -0.63 2.35 0.00 0.00 0.00 179.25 181.06 3nal h TRP 854 N 0.00 0.55 0.00 0.00 7.01 -0.09 0.20 115.95 123.62 3nal h TRP 854 Ca 0.00 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 60.67 3nal h TRP 854 Cb 0.60 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 3nal h TRP 854 CO 0.00 1.18 0.00 2.35 -2.79 0.00 0.00 178.44 179.18 3nal h TRP 855 N -0.23 0.00 0.00 2.65 7.01 -1.39 -2.62 115.95 121.38 3nal h TRP 855 Ca -0.09 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3nal h TRP 855 Cb 1.38 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.44 3nal h TRP 855 CO 0.17 0.00 -0.09 0.74 -2.79 0.00 0.00 178.44 176.47 3nal h PHE 856 N 0.00 0.00 -3.68 2.65 0.04 -1.34 -3.39 116.94 111.22 3nal h PHE 856 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 3nal h PHE 856 Cb 0.31 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.31 3nal h PHE 856 CO 0.00 0.00 -0.30 -1.64 -0.60 0.00 0.00 178.31 175.77 3nal s MET 857 N -1.34 4.04 0.00 1.51 -1.94 0.70 -2.55 119.30 119.72 3nal s MET 857 Ca -0.02 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 3nal s MET 857 Cb 0.00 -3.62 0.00 0.00 2.01 0.00 0.00 34.83 33.22 3nal s MET 857 CO 0.04 -0.18 0.00 0.66 -0.01 0.00 0.00 175.02 175.53 3nal n TYR 858 N 5.00 0.00 -3.44 -0.03 4.01 -1.21 -4.19 117.16 117.29 3nal n TYR 858 Ca -0.10 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.28 3nal n TYR 858 Cb 0.51 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 3nal n TYR 858 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3nal s ALA 859 N -2.00 3.64 -0.73 -0.72 0.00 -1.01 -4.89 121.76 116.06 3nal s ALA 859 Ca 0.00 -0.21 0.24 0.00 0.00 0.00 0.00 51.96 51.98 3nal s ALA 859 Cb 0.00 -2.43 0.28 0.00 0.00 0.00 0.00 23.12 20.97 3nal s ALA 859 CO 0.00 0.49 1.24 0.39 0.00 0.00 0.00 175.76 177.88 3nal n GLU 860 N 1.02 0.21 -0.11 0.00 1.02 -1.26 -4.20 120.64 117.32 3nal n GLU 860 Ca -0.08 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 3nal n GLU 860 Cb 0.52 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 3nal n GLU 860 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3nal n ASP 861 N -1.89 0.83 -4.67 1.62 8.00 -1.26 -4.99 116.55 114.19 3nal n ASP 861 Ca 0.03 -0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 3nal n ASP 861 Cb 0.41 0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 41.95 3nal n ASP 861 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3nal s GLY 862 N -5.74 1.74 -0.50 0.44 0.00 -1.26 -5.04 107.32 96.96 3nal s GLY 862 Ca -0.18 -1.35 -0.27 0.00 0.00 0.00 0.00 44.72 42.93 3nal s GLY 862 CO 0.72 -1.36 2.04 2.56 0.00 0.00 0.00 173.10 177.06 3nal s PRO 863 N -2.91 2.62 -0.59 2.90 0.04 -1.26 -4.43 135.00 131.37 3nal s PRO 863 Ca 0.27 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.13 3nal s PRO 863 Cb -0.09 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.03 3nal s PRO 863 CO 0.19 -2.71 1.54 0.20 0.04 0.00 0.00 177.00 176.26 3nal s GLY 864 N 9.04 0.69 0.00 0.56 0.00 -1.06 -4.72 107.32 111.83 3nal s GLY 864 Ca 0.81 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3nal s GLY 864 CO 0.26 2.98 0.14 -0.62 0.00 0.00 0.00 173.10 175.85 3nal n VAL 865 N 6.91 0.00 0.00 1.40 0.31 -1.21 -4.70 118.33 121.04 3nal n VAL 865 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3nal n VAL 865 Cb 0.50 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3nal n VAL 865 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3nal n THR 866 N 0.33 0.00 -1.09 2.52 5.66 -1.26 -1.37 114.28 119.07 3nal n THR 866 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3nal n THR 866 Cb 0.06 0.00 0.28 0.00 -1.55 0.00 0.00 70.33 69.12 3nal n THR 866 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3nal n TYR 867 N 14.00 1.66 -3.12 1.09 9.36 -1.26 -4.62 117.16 134.26 3nal n TYR 867 Ca 0.00 -1.13 -0.41 0.00 3.32 0.00 0.00 57.90 59.68 3nal n TYR 867 Cb 0.00 -0.51 -0.07 0.00 -0.63 0.00 0.00 39.34 38.13 3nal n TYR 867 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3nal s HIS 868 N -2.97 3.21 -0.10 2.98 3.76 -0.47 -4.86 115.29 116.84 3nal s HIS 868 Ca 0.49 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.94 3nal s HIS 868 Cb 0.40 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 3nal s HIS 868 CO 0.10 -0.48 0.22 0.00 -0.85 0.00 0.00 174.74 173.72 3nal n GLN 869 N 5.87 0.00 0.00 1.40 0.00 -1.26 -4.63 117.38 118.76 3nal n GLN 869 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 57.00 57.13 3nal n GLN 869 Cb 0.49 -0.10 0.80 0.00 0.00 0.00 0.00 30.24 31.43 3nal n GLN 869 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3nal n LEU 870 N 0.57 0.00 -0.10 2.61 7.94 -1.26 -3.34 117.00 123.41 3nal n LEU 870 Ca 0.07 0.16 -0.13 0.00 -1.11 0.00 0.00 56.01 55.00 3nal n LEU 870 Cb 0.01 -0.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.76 3nal n LEU 870 CO 0.11 -0.01 0.57 0.71 -1.11 0.00 0.00 177.39 177.66 3nal h THR 871 N 0.00 1.30 0.00 1.96 1.35 -1.82 -2.91 112.91 112.79 3nal h THR 871 Ca 0.00 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3nal h THR 871 Cb 0.16 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3nal h THR 871 CO 0.00 0.47 0.00 1.41 -0.25 0.00 0.00 175.52 177.15 3nal n HIS 872 N -4.24 0.00 0.31 4.73 8.25 -1.21 -3.54 115.22 119.52 3nal n HIS 872 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.49 3nal n HIS 872 Cb 0.48 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.92 3nal n HIS 872 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3nal h PHE 873 N 0.20 0.00 0.00 4.41 -5.15 -1.77 0.48 116.94 115.10 3nal h PHE 873 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3nal h PHE 873 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 3nal h PHE 873 CO 0.00 0.00 -0.04 0.52 -2.00 0.00 0.00 178.31 176.79 3nal h MET 874 N 0.00 0.00 -3.34 6.09 2.86 -1.88 -3.35 114.93 115.32 3nal h MET 874 Ca 0.02 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.02 3nal h MET 874 Cb 1.53 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.78 3nal h MET 874 CO -0.00 0.04 -0.60 -0.65 1.06 0.00 0.00 176.91 176.75 3nal s GLN 875 N -4.17 2.10 0.01 1.72 -0.21 0.17 -4.85 119.66 114.42 3nal s GLN 875 Ca -0.03 -2.76 0.00 0.00 0.02 0.00 0.00 55.36 52.59 3nal s GLN 875 Cb 0.13 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.78 3nal s GLN 875 CO 0.51 -1.14 0.00 0.00 -2.12 0.00 0.00 175.29 172.54 3nal h THR 877 N 0.00 1.19 -0.33 0.00 2.02 -1.91 0.23 112.91 114.11 3nal h THR 877 Ca 0.00 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 3nal h THR 877 Cb 0.65 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3nal h THR 877 CO 0.00 0.21 -0.32 -0.33 0.37 0.00 0.00 175.52 175.45 3nal h GLU 878 N 0.58 0.71 -0.85 6.66 4.39 -1.93 -3.26 114.58 120.87 3nal h GLU 878 Ca 0.15 -0.33 -0.60 0.00 0.34 0.00 0.00 59.36 58.93 3nal h GLU 878 Cb 0.14 -0.01 -0.38 0.00 -0.10 0.00 0.00 28.75 28.40 3nal h GLU 878 CO -0.02 0.94 -0.23 -3.47 -1.16 0.00 0.00 179.01 175.07 3nal n ASP 879 N -4.07 5.90 0.00 1.42 -0.08 -1.10 -4.79 116.55 113.83 3nal n ASP 879 Ca -0.01 -3.76 0.01 0.00 -1.51 0.00 0.00 54.79 49.52 3nal n ASP 879 Cb 0.48 -0.57 0.05 0.00 2.34 0.00 0.00 41.12 43.43 3nal n ASP 879 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3nal n HIS 880 N -0.78 0.00 0.17 -0.67 1.44 0.77 -1.48 115.22 114.67 3nal n HIS 880 Ca 0.50 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.23 3nal n HIS 880 Cb 0.86 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.96 3nal n HIS 880 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3nal n PRO 881 N -0.76 3.83 -3.62 -1.40 -0.02 -1.26 -4.29 135.00 127.47 3nal n PRO 881 Ca 0.01 -0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 60.89 3nal n PRO 881 Cb 0.01 -0.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.63 3nal n PRO 881 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3nal s HIS 882 N -1.01 3.89 0.00 6.00 5.04 -0.55 -4.61 115.29 124.05 3nal s HIS 882 Ca 0.02 -2.99 0.00 0.00 -1.54 0.00 0.00 55.06 50.55 3nal s HIS 882 Cb 0.03 -3.28 0.00 0.00 0.04 0.00 0.00 32.58 29.37 3nal s HIS 882 CO 0.11 -0.76 0.00 1.19 -2.34 0.00 0.00 174.74 172.95 3nal n PHE 883 N 2.42 0.00 -3.81 3.88 3.72 -1.26 -5.02 117.46 117.39 3nal n PHE 883 Ca 0.21 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.32 3nal n PHE 883 Cb 0.37 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.79 3nal n PHE 883 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3nal s GLU 884 N -0.48 2.02 -0.69 -1.08 8.01 -1.26 -4.93 118.70 120.30 3nal s GLU 884 Ca 0.00 -2.89 -0.02 0.00 0.01 0.00 0.00 54.97 52.07 3nal s GLU 884 Cb 0.00 -2.99 0.44 0.00 -4.31 0.00 0.00 34.13 27.27 3nal s GLU 884 CO 0.00 -1.26 2.02 0.41 0.01 0.00 0.00 175.26 176.45 3nal n GLY 885 N 2.47 5.84 1.02 -1.39 0.00 -1.26 -4.27 105.19 107.60 3nal n GLY 885 Ca 0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 3nal n GLY 885 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3nal n LEU 886 N -0.87 0.00 0.00 0.99 -0.00 -1.26 -5.17 117.00 110.69 3nal n LEU 886 Ca 0.62 -0.77 -0.10 0.00 -0.00 0.00 0.00 56.01 55.75 3nal n LEU 886 Cb 0.61 0.93 0.10 0.00 -0.00 0.00 0.00 43.42 45.06 3nal n LEU 886 CO 0.76 -0.22 0.11 -0.67 -0.00 0.00 0.00 177.39 177.37 3nal n ASP 887 N -1.52 -2.39 0.00 1.45 -0.08 -1.26 -4.98 116.55 107.77 3nal n ASP 887 Ca -0.01 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 3nal n ASP 887 Cb 0.17 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.23 3nal n ASP 887 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3nal n GLU 889 N -0.02 0.53 0.33 0.00 2.13 -1.26 -3.87 120.64 118.48 3nal n GLU 889 Ca 0.00 -0.32 0.20 0.00 0.66 0.00 0.00 57.16 57.71 3nal n GLU 889 Cb 0.17 -1.49 1.09 0.00 0.27 0.00 0.00 31.44 31.48 3nal n GLU 889 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3nal h ILE 890 N 0.78 0.00 0.00 6.31 1.08 -1.99 0.10 117.51 123.79 3nal h ILE 890 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3nal h ILE 890 Cb 0.51 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 3nal h ILE 890 CO 0.00 0.00 0.00 -0.26 -0.69 0.00 0.00 178.15 177.20 3nal h PHE 891 N 0.00 0.00 -0.46 1.37 0.04 -1.96 -2.89 116.94 113.04 3nal h PHE 891 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3nal h PHE 891 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3nal h PHE 891 CO 0.00 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.10 3nal n GLU 892 N -2.91 3.52 -1.78 1.51 1.02 0.35 -4.92 120.64 117.43 3nal n GLU 892 Ca 0.03 -2.78 -0.38 0.00 -0.02 0.00 0.00 57.16 54.01 3nal n GLU 892 Cb 0.40 -1.83 0.04 0.00 -0.02 0.00 0.00 31.44 30.03 3nal n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nal s ALA 893 N -2.15 2.84 0.15 0.62 0.00 -1.09 -4.94 121.76 117.19 3nal s ALA 893 Ca 0.44 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.77 3nal s ALA 893 Cb 0.31 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3nal s ALA 893 CO 0.17 -1.36 1.35 -1.35 0.00 0.00 0.00 175.76 174.57 3nal h PRO 894 N 1.51 0.17 -0.29 0.00 0.11 -1.92 -3.36 132.00 128.22 3nal h PRO 894 Ca -0.51 -0.20 0.05 0.00 0.11 0.00 0.00 66.00 65.45 3nal h PRO 894 Cb 1.30 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.42 3nal h PRO 894 CO 0.57 0.97 0.01 0.93 -0.21 0.00 0.00 178.00 180.27 3nal h GLU 895 N 0.08 0.09 -0.19 1.05 3.07 -1.86 -0.20 114.58 116.63 3nal h GLU 895 Ca -0.05 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 3nal h GLU 895 Cb 1.57 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 3nal h GLU 895 CO 0.14 0.06 0.03 -1.00 -1.40 0.00 0.00 179.01 176.84 3nal h PRO 896 N 0.10 0.26 0.07 2.33 0.13 -1.87 0.15 132.00 133.16 3nal h PRO 896 Ca 0.14 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 3nal h PRO 896 Cb 0.18 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.28 3nal h PRO 896 CO -0.22 0.27 -0.86 0.52 -0.23 0.00 0.00 178.00 177.47 3nal h MET 897 N 0.26 0.46 0.00 0.86 2.86 -1.60 -2.46 114.93 115.31 3nal h MET 897 Ca 0.06 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3nal h MET 897 Cb 0.14 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3nal h MET 897 CO -0.00 1.23 0.00 1.79 1.06 0.00 0.00 176.91 180.99 3nal h THR 898 N -0.04 0.00 0.41 2.22 1.35 -0.81 0.40 112.91 116.44 3nal h THR 898 Ca -0.13 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 3nal h THR 898 Cb 1.59 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3nal h THR 898 CO 0.17 0.00 -0.20 0.24 -0.25 0.00 0.00 175.52 175.48 3nal h MET 899 N 0.00 -0.53 -0.14 4.72 2.86 -0.86 -1.28 114.93 119.71 3nal h MET 899 Ca 0.00 0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3nal h MET 899 Cb 0.35 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3nal h MET 899 CO 0.00 -0.24 -0.19 0.00 1.06 0.00 0.00 176.91 177.54 3nal h ALA 900 N -0.80 1.42 -0.29 6.32 0.00 -0.95 -2.12 119.26 122.84 3nal h ALA 900 Ca -0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 3nal h ALA 900 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3nal h ALA 900 CO 0.09 0.40 -0.51 1.25 0.00 0.00 0.00 179.25 180.48 3nal h LEU 901 N 0.22 0.91 -0.96 0.00 6.46 -0.25 -2.15 115.31 119.54 3nal h LEU 901 Ca 0.04 -0.47 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 3nal h LEU 901 Cb 0.46 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3nal h LEU 901 CO 0.03 1.25 -0.20 0.28 -0.62 0.00 0.00 178.44 179.18 3nal h SER 902 N 0.65 0.00 0.08 1.25 0.02 -0.90 0.01 113.55 114.66 3nal h SER 902 Ca 0.02 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 3nal h SER 902 Cb 1.10 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.65 3nal h SER 902 CO 0.11 0.20 -0.90 1.62 -1.14 0.00 0.00 176.83 176.72 3nal h VAL 903 N 0.00 1.32 0.47 2.27 3.04 -1.22 -2.05 116.25 120.08 3nal h VAL 903 Ca -0.00 -2.20 -0.02 0.00 -1.01 0.00 0.00 66.70 63.46 3nal h VAL 903 Cb 0.80 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 3nal h VAL 903 CO 0.03 0.68 -0.23 0.25 -1.01 0.00 0.00 177.57 177.29 3nal h LEU 904 N 0.38 -0.53 -0.95 3.16 5.85 -1.04 0.40 115.31 122.58 3nal h LEU 904 Ca -0.08 0.02 0.24 0.00 0.84 0.00 0.00 57.88 58.89 3nal h LEU 904 Cb 1.53 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 42.52 3nal h LEU 904 CO 0.17 -0.36 -0.06 0.58 -0.34 0.00 0.00 178.44 178.44 3nal h VAL 905 N -0.68 0.06 -0.04 1.05 2.07 -1.06 0.35 116.25 118.00 3nal h VAL 905 Ca -0.06 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 3nal h VAL 905 Cb 0.48 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3nal h VAL 905 CO 0.11 0.00 -0.87 0.71 0.02 0.00 0.00 177.57 177.54 3nal h THR 906 N 0.02 1.36 -0.18 2.57 1.35 -1.24 -2.31 112.91 114.48 3nal h THR 906 Ca 0.54 -2.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 3nal h THR 906 Cb 1.01 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 3nal h THR 906 CO -0.91 0.69 0.02 0.40 -0.25 0.00 0.00 175.52 175.46 3nal h ILE 907 N 0.31 1.10 -0.30 6.82 2.04 0.31 -1.33 117.51 126.46 3nal h ILE 907 Ca -0.07 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.31 3nal h ILE 907 Cb 1.49 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3nal h ILE 907 CO 0.16 0.13 -0.21 -0.33 0.00 0.00 0.00 178.15 177.89 3nal h GLU 908 N 0.25 0.68 -0.26 2.37 4.39 -0.33 0.15 114.58 121.82 3nal h GLU 908 Ca 0.06 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 3nal h GLU 908 Cb 0.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3nal h GLU 908 CO 0.00 0.93 0.01 0.52 -1.16 0.00 0.00 179.01 179.31 3nal h MET 909 N 0.44 0.39 -0.43 2.33 2.86 -0.83 0.18 114.93 119.86 3nal h MET 909 Ca 0.06 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3nal h MET 909 Cb 0.76 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3nal h MET 909 CO 0.06 0.41 -0.30 0.00 1.06 0.00 0.00 176.91 178.13 3nal h ASN 911 N 0.81 0.38 0.32 0.00 -1.24 -0.13 -1.81 115.58 113.91 3nal h ASN 911 Ca 0.09 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.92 3nal h ASN 911 Cb 0.89 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.83 3nal h ASN 911 CO 0.08 0.79 0.00 0.00 -1.29 0.00 0.00 177.43 177.01 3nal n ALA 912 N -2.48 1.36 -0.10 1.57 0.00 0.54 -1.11 120.51 120.30 3nal n ALA 912 Ca -0.02 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3nal n ALA 912 Cb 0.52 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 3nal n ALA 912 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3nal n LEU 913 N -1.80 0.42 0.01 0.00 4.77 -0.75 -4.02 117.00 115.63 3nal n LEU 913 Ca 0.01 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.11 3nal n LEU 913 Cb 0.11 0.30 0.42 0.00 -2.33 0.00 0.00 43.42 41.92 3nal n LEU 913 CO 0.10 0.54 0.81 0.59 -1.33 0.00 0.00 177.39 178.11 3nal n ASN 914 N -2.84 0.05 -0.98 -1.43 5.03 -0.27 -2.79 115.26 112.05 3nal n ASN 914 Ca -0.33 0.51 0.11 0.00 0.87 0.00 0.00 54.58 55.74 3nal n ASN 914 Cb 1.13 -0.52 0.26 0.00 -1.02 0.00 0.00 39.78 39.62 3nal n ASN 914 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3nal n SER 915 N -1.55 2.92 0.24 6.41 7.64 -0.52 -4.13 113.62 124.63 3nal n SER 915 Ca 0.05 -1.92 0.12 0.00 1.01 0.00 0.00 58.87 58.13 3nal n SER 915 Cb 0.23 -0.20 0.58 0.00 -1.01 0.00 0.00 64.21 63.82 3nal n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3nal h LEU 916 N 3.82 0.00 -7.49 -3.43 3.38 -1.70 -3.44 115.31 106.46 3nal h LEU 916 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3nal h LEU 916 Cb 0.84 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.36 3nal h LEU 916 CO 0.00 0.17 -0.37 -0.55 0.09 0.00 0.00 178.44 177.79 3nal s SER 917 N -6.12 -0.24 0.05 -0.43 0.15 -1.26 -5.00 113.70 100.86 3nal s SER 917 Ca -0.01 0.39 -0.21 0.00 0.70 0.00 0.00 55.95 56.82 3nal s SER 917 Cb 0.11 0.49 -0.12 0.00 -1.71 0.00 0.00 66.02 64.78 3nal s SER 917 CO 0.61 -0.21 1.46 -0.08 1.20 0.00 0.00 173.24 176.22 3nal h GLU 918 N 5.13 0.30 0.00 5.44 4.81 -1.84 -3.39 114.58 125.02 3nal h GLU 918 Ca -0.27 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3nal h GLU 918 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3nal h GLU 918 CO 0.35 0.56 -0.98 0.09 -0.73 0.00 0.00 179.01 178.30 3nal n ASN 919 N -4.70 4.26 -4.72 1.04 3.02 -1.26 -4.96 115.26 107.93 3nal n ASN 919 Ca -0.05 -0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 3nal n ASN 919 Cb 0.25 1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.45 3nal n ASN 919 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3nal s GLN 920 N -2.02 4.41 0.89 3.52 -1.52 -1.26 -4.78 119.66 118.91 3nal s GLN 920 Ca -0.00 1.89 -0.11 0.00 -1.95 0.00 0.00 55.36 55.19 3nal s GLN 920 Cb 0.01 -3.29 0.13 0.00 -0.22 0.00 0.00 33.01 29.64 3nal s GLN 920 CO 0.06 -0.26 1.11 0.45 -0.25 0.00 0.00 175.29 176.39 3nal s SER 921 N 0.81 3.30 0.43 5.90 0.15 -1.26 -4.67 113.70 118.36 3nal s SER 921 Ca 0.59 1.86 0.29 0.00 0.70 0.00 0.00 55.95 59.39 3nal s SER 921 Cb -0.33 -2.45 1.11 0.00 -1.71 0.00 0.00 66.02 62.65 3nal s SER 921 CO 0.32 -2.81 1.85 -0.07 1.20 0.00 0.00 173.24 173.73 3nal h LEU 922 N -1.66 0.00 -0.05 3.45 3.38 -1.94 -0.01 115.31 118.47 3nal h LEU 922 Ca -0.46 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 3nal h LEU 922 Cb 1.27 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.03 3nal h LEU 922 CO 0.48 0.00 -0.98 0.24 0.09 0.00 0.00 178.44 178.27 3nal h MET 923 N 0.00 0.70 -0.01 1.13 2.86 -1.99 -2.80 114.93 114.82 3nal h MET 923 Ca 0.00 -0.71 -0.12 0.00 -2.06 0.00 0.00 59.70 56.81 3nal h MET 923 Cb 0.53 0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.39 3nal h MET 923 CO 0.00 1.30 -0.47 -0.09 1.06 0.00 0.00 176.91 178.70 3nal h ARG 924 N 0.42 0.33 -3.84 1.72 2.43 -1.85 -3.39 114.38 110.20 3nal h ARG 924 Ca -0.11 -0.35 -0.65 0.00 -0.81 0.00 0.00 59.98 58.06 3nal h ARG 924 Cb 1.62 0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 30.87 3nal h ARG 924 CO 0.19 1.04 -0.63 1.41 -1.51 0.00 0.00 179.97 180.47 3nal s MET 925 N -3.21 1.89 0.50 0.20 1.75 -0.04 -5.02 119.30 115.36 3nal s MET 925 Ca -0.14 -2.36 -0.21 0.00 -1.25 0.00 0.00 55.69 51.73 3nal s MET 925 Cb 0.03 -3.34 -0.07 0.00 2.84 0.00 0.00 34.83 34.29 3nal s MET 925 CO 0.79 -1.06 1.14 -1.25 -0.65 0.00 0.00 175.02 173.99 3nal s PRO 926 N 0.14 3.59 0.37 4.11 0.05 -1.06 -4.35 135.00 137.85 3nal s PRO 926 Ca 0.15 1.66 0.15 0.00 0.05 0.00 0.00 61.00 63.02 3nal s PRO 926 Cb -0.23 -2.20 1.03 0.00 0.05 0.00 0.00 34.50 33.15 3nal s PRO 926 CO -0.03 -0.67 1.75 -1.00 0.05 0.00 0.00 177.00 177.10 3nal h PRO 927 N 1.64 0.44 0.00 0.56 0.13 -1.93 0.56 132.00 133.40 3nal h PRO 927 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3nal h PRO 927 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3nal h PRO 927 CO 0.59 0.29 0.00 -2.67 -0.23 0.00 0.00 178.00 175.98 3nal n TRP 928 N -4.73 0.00 0.06 1.56 2.14 -1.26 -2.18 117.44 113.03 3nal n TRP 928 Ca 0.26 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.88 3nal n TRP 928 Cb 0.85 -0.25 0.46 0.00 -0.81 0.00 0.00 31.31 31.56 3nal n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3nal h VAL 929 N 0.00 1.09 -3.44 -1.67 2.07 -1.24 -3.31 116.25 109.74 3nal h VAL 929 Ca 0.00 -0.23 -0.64 0.00 0.82 0.00 0.00 66.70 66.65 3nal h VAL 929 Cb 0.04 0.68 -0.41 0.00 -1.52 0.00 0.00 31.29 30.08 3nal h VAL 929 CO 0.00 0.10 -0.67 0.21 0.02 0.00 0.00 177.57 177.23 3nal s ASN 930 N -6.78 4.40 0.19 0.57 3.84 -0.92 -4.81 114.94 111.43 3nal s ASN 930 Ca -0.07 -2.66 -0.12 0.00 0.21 0.00 0.00 52.86 50.22 3nal s ASN 930 Cb 0.17 -1.56 0.22 0.00 -0.55 0.00 0.00 41.25 39.53 3nal s ASN 930 CO 0.72 -0.29 1.73 0.40 -2.79 0.00 0.00 177.10 176.87 3nal h ILE 931 N 5.87 0.74 -0.70 -5.21 2.04 -1.79 -2.20 117.51 116.26 3nal h ILE 931 Ca -0.06 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 65.84 3nal h ILE 931 Cb 0.94 0.41 -0.12 0.00 -0.74 0.00 0.00 36.82 37.32 3nal h ILE 931 CO 0.61 0.06 0.01 -0.50 0.00 0.00 0.00 178.15 178.33 3nal h TRP 932 N 0.30 -0.03 -0.12 1.37 4.06 -1.93 -0.85 115.95 118.75 3nal h TRP 932 Ca 0.27 0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.31 3nal h TRP 932 Cb 0.35 0.12 -0.06 0.00 -1.00 0.00 0.00 29.16 28.56 3nal h TRP 932 CO -0.20 -0.20 -0.41 1.25 -3.56 0.00 0.00 178.44 175.32 3nal h LEU 933 N 0.12 -1.28 0.11 -4.49 5.85 -1.67 0.26 115.31 114.20 3nal h LEU 933 Ca 0.37 0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.27 3nal h LEU 933 Cb 0.64 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3nal h LEU 933 CO -0.60 -0.42 -0.13 -0.07 -0.34 0.00 0.00 178.44 176.88 3nal h LEU 934 N -0.49 -0.35 -0.82 2.25 3.38 -1.32 -1.89 115.31 116.07 3nal h LEU 934 Ca 0.07 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3nal h LEU 934 Cb 0.62 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 3nal h LEU 934 CO -0.39 -0.20 0.43 1.23 0.09 0.00 0.00 178.44 179.61 3nal h GLY 935 N -0.27 1.30 1.05 0.83 0.00 -0.75 -0.74 103.07 104.49 3nal h GLY 935 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3nal h GLY 935 CO -0.05 0.03 0.33 1.48 0.00 0.00 0.00 176.54 178.33 3nal h SER 936 N 0.67 1.11 -0.20 0.19 4.64 -0.16 -2.29 113.55 117.52 3nal h SER 936 Ca 0.43 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.63 3nal h SER 936 Cb 0.52 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3nal h SER 936 CO -0.31 0.98 0.14 0.40 -0.87 0.00 0.00 176.83 177.16 3nal h ILE 937 N 1.18 0.92 -0.05 0.95 2.04 -0.33 0.38 117.51 122.60 3nal h ILE 937 Ca 0.27 -0.01 -0.21 0.00 1.00 0.00 0.00 64.86 65.91 3nal h ILE 937 Cb 0.21 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3nal h ILE 937 CO -0.02 0.01 -0.80 0.00 0.00 0.00 0.00 178.15 177.34 3nal h LEU 939 N 0.25 0.29 0.10 0.00 5.85 -0.91 -0.45 115.31 120.44 3nal h LEU 939 Ca -0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3nal h LEU 939 Cb 1.46 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3nal h LEU 939 CO 0.16 0.35 -0.05 0.28 -0.34 0.00 0.00 178.44 178.84 3nal h SER 940 N 0.31 -0.12 0.10 1.25 0.02 -0.88 -0.69 113.55 113.54 3nal h SER 940 Ca 0.07 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3nal h SER 940 Cb 0.22 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3nal h SER 940 CO 0.01 0.37 -0.12 0.24 -1.14 0.00 0.00 176.83 176.19 3nal h MET 941 N -0.65 -0.24 -0.68 3.45 2.86 -1.04 0.87 114.93 119.50 3nal h MET 941 Ca -0.01 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3nal h MET 941 Cb 0.51 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 3nal h MET 941 CO 0.02 -0.16 0.41 0.66 1.06 0.00 0.00 176.91 178.90 3nal h SER 942 N -0.25 0.82 -0.36 1.22 4.64 -1.16 -0.36 113.55 118.09 3nal h SER 942 Ca 0.01 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3nal h SER 942 Cb 0.25 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3nal h SER 942 CO -0.05 0.63 0.25 -0.07 -0.87 0.00 0.00 176.83 176.73 3nal h LEU 943 N 0.93 0.20 -0.27 5.97 3.38 -0.67 0.22 115.31 125.06 3nal h LEU 943 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3nal h LEU 943 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3nal h LEU 943 CO -0.05 0.13 0.15 -0.74 0.09 0.00 0.00 178.44 178.03 3nal h HIS 944 N 0.23 0.37 -0.29 1.13 2.76 0.86 -2.33 115.15 117.88 3nal h HIS 944 Ca 0.16 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 3nal h HIS 944 Cb 0.35 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3nal h HIS 944 CO -0.00 0.30 -0.22 0.74 -1.30 0.00 0.00 177.93 177.45 3nal h PHE 945 N 0.33 0.60 -0.86 5.26 0.04 -0.27 -2.39 116.94 119.66 3nal h PHE 945 Ca 0.10 -0.12 0.17 0.00 2.80 0.00 0.00 57.97 60.91 3nal h PHE 945 Cb 0.05 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 37.95 3nal h PHE 945 CO -0.04 0.72 0.41 1.25 -0.60 0.00 0.00 178.31 180.06 3nal h LEU 946 N 0.48 0.44 -0.51 1.54 5.85 -0.11 0.43 115.31 123.43 3nal h LEU 946 Ca 0.07 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3nal h LEU 946 Cb 0.65 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3nal h LEU 946 CO 0.05 0.14 0.00 2.30 -0.34 0.00 0.00 178.44 180.59 3nal n ILE 947 N -4.94 0.02 -0.07 4.05 -5.35 -0.92 -2.43 119.36 109.72 3nal n ILE 947 Ca 0.18 -0.14 -0.04 0.00 -0.27 0.00 0.00 62.75 62.48 3nal n ILE 947 Cb 0.50 0.02 -0.15 0.00 -1.74 0.00 0.00 39.64 38.27 3nal n ILE 947 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3nal n LEU 948 N -0.36 0.00 -0.02 7.28 4.77 0.14 -2.46 117.00 126.34 3nal n LEU 948 Ca 0.20 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 3nal n LEU 948 Cb 0.23 0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3nal n LEU 948 CO 0.16 0.34 -0.22 -1.22 -1.33 0.00 0.00 177.39 175.12 3nal n TYR 949 N -2.56 0.00 -1.57 -1.77 4.01 -0.29 -3.78 117.16 111.20 3nal n TYR 949 Ca -0.23 0.00 -0.61 0.00 -0.16 0.00 0.00 57.90 56.90 3nal n TYR 949 Cb 0.95 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.74 3nal n TYR 949 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3nal n VAL 950 N -3.22 0.01 0.00 -0.72 0.31 -1.02 -4.83 118.33 108.86 3nal n VAL 950 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3nal n VAL 950 Cb 0.17 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3nal n VAL 950 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3nal n ASP 951 N 2.25 0.00 -0.14 4.52 8.00 -1.26 -3.21 116.55 126.71 3nal n ASP 951 Ca 0.23 0.62 -0.04 0.00 0.71 0.00 0.00 54.79 56.31 3nal n ASP 951 Cb 0.05 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3nal n ASP 951 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3nal n PRO 952 N -1.49 -0.14 -0.05 -0.24 -0.02 -1.26 -3.38 135.00 128.42 3nal n PRO 952 Ca 0.00 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 3nal n PRO 952 Cb 0.00 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 3nal n PRO 952 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3nal n LEU 953 N -3.70 -0.12 -0.19 2.45 4.77 -1.20 -2.08 117.00 116.92 3nal n LEU 953 Ca 0.01 0.77 -0.02 0.00 -0.03 0.00 0.00 56.01 56.73 3nal n LEU 953 Cb 0.09 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3nal n LEU 953 CO -0.05 -0.45 1.02 -0.65 -1.33 0.00 0.00 177.39 175.93 3nal h PRO 954 N 0.00 0.48 -0.76 3.23 0.11 -1.49 0.53 132.00 134.10 3nal h PRO 954 Ca 0.02 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.21 3nal h PRO 954 Cb 0.05 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 30.97 3nal h PRO 954 CO -0.11 0.32 0.37 1.98 -0.21 0.00 0.00 178.00 180.35 3nal h MET 955 N 0.50 0.58 0.00 1.05 1.85 -1.46 0.10 114.93 117.54 3nal h MET 955 Ca 0.27 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 3nal h MET 955 Cb 0.23 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.13 3nal h MET 955 CO -0.21 0.38 -0.83 0.44 -0.40 0.00 0.00 176.91 176.29 3nal n ILE 956 N -4.88 0.36 1.02 1.77 -5.35 -0.70 -3.66 119.36 107.92 3nal n ILE 956 Ca 0.13 -0.33 0.12 0.00 -0.27 0.00 0.00 62.75 62.41 3nal n ILE 956 Cb 0.34 -0.09 0.28 0.00 -1.74 0.00 0.00 39.64 38.43 3nal n ILE 956 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3nal n PHE 957 N -2.20 0.15 -3.62 4.28 3.01 0.18 -4.94 117.46 114.32 3nal n PHE 957 Ca 0.02 -0.07 -0.23 0.00 1.01 0.00 0.00 57.45 58.17 3nal n PHE 957 Cb 0.46 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.01 3nal n PHE 957 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3nal n LYS 958 N 0.90 -7.27 -4.55 -1.08 4.76 0.16 -4.86 118.16 106.22 3nal n LYS 958 Ca 0.17 0.79 -0.22 0.00 -2.87 0.00 0.00 58.31 56.18 3nal n LYS 958 Cb 0.49 -5.80 -0.14 0.00 -1.84 0.00 0.00 35.03 27.74 3nal n LYS 958 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3nal s LEU 959 N -7.10 2.09 -0.04 -0.35 1.43 -0.10 -4.54 118.68 110.07 3nal s LEU 959 Ca 0.46 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3nal s LEU 959 Cb -0.21 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.32 3nal s LEU 959 CO 0.75 0.13 -0.01 -0.54 0.23 0.00 0.00 176.35 176.91 3nal s LYS 960 N -0.70 0.48 0.27 1.70 1.02 -1.26 -4.33 119.74 116.91 3nal s LYS 960 Ca 0.04 0.06 -0.20 0.00 0.02 0.00 0.00 55.97 55.89 3nal s LYS 960 Cb -0.07 -0.68 -0.14 0.00 -0.52 0.00 0.00 37.83 36.43 3nal s LYS 960 CO 0.00 -0.17 0.21 0.00 -0.92 0.00 0.00 175.35 174.48 3nal n ALA 961 N 4.40 -2.68 -2.49 5.17 0.00 -1.25 -4.68 120.51 118.98 3nal n ALA 961 Ca -0.20 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3nal n ALA 961 Cb 0.50 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 3nal n ALA 961 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3nal s LEU 962 N 3.23 2.73 1.31 0.00 0.05 -1.26 -5.01 118.68 119.72 3nal s LEU 962 Ca 0.51 -0.42 -0.18 0.00 0.05 0.00 0.00 54.13 54.09 3nal s LEU 962 Cb -0.63 -1.59 0.33 0.00 -2.05 0.00 0.00 46.19 42.25 3nal s LEU 962 CO 0.51 0.23 0.98 1.51 -0.55 0.00 0.00 176.35 179.03 3nal s ASP 963 N -1.66 -0.14 0.00 1.48 1.47 -1.26 -4.76 116.67 111.80 3nal s ASP 963 Ca 0.16 1.11 0.15 0.00 1.18 0.00 0.00 52.55 55.15 3nal s ASP 963 Cb -0.11 -1.66 0.66 0.00 -0.34 0.00 0.00 42.92 41.48 3nal s ASP 963 CO 0.07 -4.84 1.45 0.18 0.68 0.00 0.00 175.17 172.72 3nal n LEU 964 N -5.30 0.00 -0.07 2.11 4.77 -1.26 -2.33 117.00 114.92 3nal n LEU 964 Ca 0.08 0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 56.44 3nal n LEU 964 Cb 0.58 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 3nal n LEU 964 CO 0.50 -0.22 -0.97 1.07 -1.33 0.00 0.00 177.39 176.43 3nal n THR 965 N -1.43 1.16 -0.01 -5.08 5.66 -1.26 -3.72 114.28 109.60 3nal n THR 965 Ca 0.05 -0.78 -0.17 0.00 -3.05 0.00 0.00 64.05 60.09 3nal n THR 965 Cb 0.16 -0.45 -0.09 0.00 -1.55 0.00 0.00 70.33 68.39 3nal n THR 965 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 3nal h GLN 966 N 0.00 0.55 -0.88 1.09 4.20 -1.86 -3.03 115.11 115.17 3nal h GLN 966 Ca -0.41 -0.51 0.17 0.00 0.06 0.00 0.00 58.65 57.97 3nal h GLN 966 Cb 1.97 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 29.77 3nal h GLN 966 CO 0.03 1.13 0.45 -1.49 -0.67 0.00 0.00 178.83 178.28 3nal h TRP 967 N 0.15 0.78 -0.06 2.96 4.06 -1.63 1.12 115.95 123.33 3nal h TRP 967 Ca -0.06 0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 3nal h TRP 967 Cb 1.31 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 3nal h TRP 967 CO 0.12 0.13 -0.22 -0.07 -3.56 0.00 0.00 178.44 174.84 3nal h LEU 968 N 0.58 0.09 -0.69 -4.49 3.38 -1.63 -0.37 115.31 112.17 3nal h LEU 968 Ca 0.51 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.42 3nal h LEU 968 Cb 0.80 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3nal h LEU 968 CO -0.41 0.31 0.27 -0.03 0.09 0.00 0.00 178.44 178.67 3nal h MET 969 N 0.08 1.04 0.41 1.13 4.05 0.14 -1.32 114.93 120.45 3nal h MET 969 Ca 0.01 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 3nal h MET 969 Cb 0.43 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3nal h MET 969 CO 0.03 0.86 -0.49 0.28 0.23 0.00 0.00 176.91 177.83 3nal h VAL 970 N 0.99 0.05 -0.98 -5.77 2.07 0.30 -1.89 116.25 111.03 3nal h VAL 970 Ca 0.23 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.94 3nal h VAL 970 Cb 0.22 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 3nal h VAL 970 CO -0.02 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.11 3nal h LEU 971 N -0.92 0.70 -0.99 2.57 3.38 -1.07 0.15 115.31 119.13 3nal h LEU 971 Ca -0.04 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3nal h LEU 971 Cb 0.82 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3nal h LEU 971 CO -0.11 0.27 -0.43 0.11 0.09 0.00 0.00 178.44 178.37 3nal h LYS 972 N 0.69 0.15 0.02 1.13 1.57 -0.81 -1.72 116.57 117.60 3nal h LYS 972 Ca 0.54 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 59.19 3nal h LYS 972 Cb 0.94 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3nal h LYS 972 CO -0.31 0.56 -0.27 0.82 -0.57 0.00 0.00 179.45 179.68 3nal h ILE 973 N 0.13 1.66 0.33 1.86 2.04 -0.13 -3.39 117.51 119.99 3nal h ILE 973 Ca 0.01 -2.36 -0.02 0.00 1.00 0.00 0.00 64.86 63.49 3nal h ILE 973 Cb 0.82 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 3nal h ILE 973 CO 0.06 0.60 -0.16 0.77 0.00 0.00 0.00 178.15 179.43 3nal h SER 974 N -0.89 -0.37 -0.95 1.72 4.64 -0.85 -3.36 113.55 113.47 3nal h SER 974 Ca -0.06 0.01 0.37 0.00 -0.47 0.00 0.00 61.79 61.64 3nal h SER 974 Cb 1.14 0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 3nal h SER 974 CO 0.00 0.06 0.56 0.18 -0.87 0.00 0.00 176.83 176.76 3nal n LEU 975 N -4.97 0.25 -0.10 5.97 4.77 -0.65 -0.38 117.00 121.90 3nal n LEU 975 Ca -0.05 1.32 0.20 0.00 -0.03 0.00 0.00 56.01 57.44 3nal n LEU 975 Cb 0.17 -0.64 0.62 0.00 -2.33 0.00 0.00 43.42 41.24 3nal n LEU 975 CO 0.13 -1.46 1.21 -0.65 -1.33 0.00 0.00 177.39 175.29 3nal h PRO 976 N 0.00 0.16 -0.82 3.23 0.11 -1.76 -2.47 132.00 130.45 3nal h PRO 976 Ca 0.72 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 67.02 3nal h PRO 976 Cb 2.07 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.99 3nal h PRO 976 CO -0.56 0.11 0.01 0.28 -0.21 0.00 0.00 178.00 177.63 3nal h VAL 977 N 0.17 0.26 -0.81 3.15 2.07 -0.95 0.82 116.25 120.95 3nal h VAL 977 Ca 0.34 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 68.02 3nal h VAL 977 Cb 1.08 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3nal h VAL 977 CO -0.06 0.02 0.55 0.40 0.02 0.00 0.00 177.57 178.50 3nal h ILE 978 N 0.09 0.69 0.03 4.57 2.04 -1.65 -1.31 117.51 121.97 3nal h ILE 978 Ca 0.46 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 66.13 3nal h ILE 978 Cb 0.85 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3nal h ILE 978 CO -0.74 0.05 -0.38 1.23 0.00 0.00 0.00 178.15 178.31 3nal h GLY 979 N 0.28 0.23 0.15 5.37 0.00 0.46 -2.15 103.07 107.41 3nal h GLY 979 Ca 0.41 -0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.43 3nal h GLY 979 CO -0.11 0.41 0.42 -2.00 0.00 0.00 0.00 176.54 175.26 3nal h LEU 980 N -0.51 0.48 -0.00 3.11 5.85 -0.22 -1.27 115.31 122.76 3nal h LEU 980 Ca -0.06 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3nal h LEU 980 Cb 1.20 0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.27 3nal h LEU 980 CO 0.07 0.18 -0.64 -0.78 -0.34 0.00 0.00 178.44 176.93 3nal h ASP 981 N 0.58 0.57 -1.00 1.25 3.58 -1.37 -2.77 116.42 117.25 3nal h ASP 981 Ca 0.48 -0.76 0.23 0.00 0.42 0.00 0.00 57.03 57.40 3nal h ASP 981 Cb 0.72 -0.17 -0.10 0.00 1.72 0.00 0.00 39.33 41.50 3nal h ASP 981 CO -0.39 1.25 0.63 -0.33 -2.88 0.00 0.00 179.24 177.52 3nal h GLU 982 N -0.06 0.52 -0.06 0.28 4.39 -0.65 0.38 114.58 119.39 3nal h GLU 982 Ca -0.08 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3nal h GLU 982 Cb 1.35 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3nal h GLU 982 CO 0.13 0.34 -0.02 0.82 -1.16 0.00 0.00 179.01 179.13 3nal h ILE 983 N 0.54 1.30 -0.08 3.13 2.04 -1.23 -1.37 117.51 121.83 3nal h ILE 983 Ca 0.58 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3nal h ILE 983 Cb 1.22 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3nal h ILE 983 CO -0.33 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 177.92 3nal h LEU 984 N -0.24 0.11 -0.18 1.44 3.38 -0.67 -0.71 115.31 118.43 3nal h LEU 984 Ca 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3nal h LEU 984 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3nal h LEU 984 CO 0.01 0.21 -0.42 0.11 0.09 0.00 0.00 178.44 178.44 3nal h LYS 985 N 0.12 0.61 -0.64 1.13 1.57 -0.25 -2.52 116.57 116.58 3nal h LYS 985 Ca 0.03 -0.41 0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3nal h LYS 985 Cb 0.23 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 3nal h LYS 985 CO 0.01 1.03 0.33 0.35 -0.57 0.00 0.00 179.45 180.60 3nal h PHE 986 N 0.28 0.59 -0.91 -1.35 3.57 -0.29 0.22 116.94 119.04 3nal h PHE 986 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3nal h PHE 986 Cb 1.03 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 3nal h PHE 986 CO 0.09 0.26 0.60 0.82 -2.23 0.00 0.00 178.31 177.85 3nal h ILE 987 N 0.60 1.23 0.28 1.41 1.08 -1.08 -0.31 117.51 120.71 3nal h ILE 987 Ca 0.30 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3nal h ILE 987 Cb 0.24 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 3nal h ILE 987 CO -0.21 0.22 -0.13 0.00 -0.69 0.00 0.00 178.15 177.34 3nal h ALA 988 N 1.44 -0.37 -0.39 1.87 0.00 -0.70 -2.87 119.26 118.23 3nal h ALA 988 Ca 0.34 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3nal h ALA 988 Cb -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3nal h ALA 988 CO -0.08 -0.55 0.22 0.00 0.00 0.00 0.00 179.25 178.85 3nal h ARG 989 N -0.70 0.44 0.00 0.00 3.08 -0.89 -3.37 114.38 112.94 3nal h ARG 989 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3nal h ARG 989 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3nal h ARG 989 CO 0.06 0.29 0.00 0.09 -1.07 0.00 0.00 179.97 179.35 3nal n ASN 990 N -4.88 0.00 -3.48 7.04 4.13 -0.14 -4.70 115.26 113.24 3nal n ASN 990 Ca 0.01 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.88 3nal n ASN 990 Cb 0.07 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.23 3nal n ASN 990 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3nal n TYR 991 N 0.00 0.83 0.00 3.10 4.01 -1.09 -4.64 117.16 119.37 3nal n TYR 991 Ca 0.00 -1.12 0.00 0.00 -0.16 0.00 0.00 57.90 56.62 3nal n TYR 991 Cb 0.00 -1.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.85 3nal n TYR 991 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3nal n LEU 992 N 7.70 0.00 -3.01 7.72 7.94 -1.22 -4.68 117.00 131.45 3nal n LEU 992 Ca 0.44 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.27 3nal n LEU 992 Cb 0.36 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.30 3nal n LEU 992 CO 1.04 0.00 1.40 -0.62 -1.11 0.00 0.00 177.39 178.10 3nal n GLU 993 N -0.07 0.67 0.00 1.96 -0.58 -1.26 -4.80 120.64 116.55 3nal n GLU 993 Ca 0.00 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 3nal n GLU 993 Cb 0.00 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 3nal n GLU 993 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06