#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n LEU 2 N 0.00 0.00 0.14 -0.89 7.94 -1.26 -4.22 117.00 118.72 3h0m n LEU 2 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3h0m n LEU 2 Cb 0.00 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.47 3h0m n LEU 2 CO 0.00 0.00 0.86 4.11 -1.11 0.00 0.00 177.39 181.25 3h0m h TRP 3 N 0.00 0.00 -0.00 1.96 5.08 -1.90 -1.41 115.95 119.67 3h0m h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3h0m h TRP 3 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3h0m h TRP 3 CO 0.00 0.00 -0.08 1.17 -1.28 0.00 0.00 178.44 178.25 3h0m n LYS 4 N -2.30 0.84 -3.74 0.12 4.81 -1.26 -4.90 118.16 111.72 3h0m n LYS 4 Ca 0.02 -0.27 -0.31 0.00 -0.87 0.00 0.00 58.31 56.88 3h0m n LYS 4 Cb 0.21 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.73 3h0m n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3h0m s LYS 5 N -2.35 3.55 0.89 1.64 1.02 -0.53 -4.84 119.74 119.11 3h0m s LYS 5 Ca 0.33 -0.23 -0.14 0.00 0.02 0.00 0.00 55.97 55.95 3h0m s LYS 5 Cb 0.20 -2.89 0.14 0.00 -0.52 0.00 0.00 37.83 34.76 3h0m s LYS 5 CO 0.44 0.49 1.24 -1.54 -0.92 0.00 0.00 175.35 175.06 3h0m s SER 6 N -2.60 3.80 0.49 2.83 1.04 -1.26 -4.79 113.70 113.21 3h0m s SER 6 Ca 0.39 0.56 0.28 0.00 0.48 0.00 0.00 55.95 57.66 3h0m s SER 6 Cb -0.12 -0.86 1.13 0.00 0.10 0.00 0.00 66.02 66.27 3h0m s SER 6 CO 0.26 -2.33 1.90 -0.07 0.98 0.00 0.00 173.24 173.99 3h0m h LEU 7 N -1.36 0.00 -0.06 2.42 3.38 -1.97 0.19 115.31 117.91 3h0m h LEU 7 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 3h0m h LEU 7 Cb 1.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 3h0m h LEU 7 CO 0.53 0.12 -0.35 0.28 0.09 0.00 0.00 178.44 179.11 3h0m h SER 8 N 0.00 0.41 -0.42 -0.43 0.02 -1.99 0.76 113.55 111.90 3h0m h SER 8 Ca -0.00 -0.67 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 3h0m h SER 8 Cb 0.63 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3h0m h SER 8 CO 0.02 1.01 0.18 -0.33 -1.14 0.00 0.00 176.83 176.57 3h0m h GLU 9 N -0.17 0.63 -0.52 3.45 5.08 -1.84 -2.45 114.58 118.75 3h0m h GLU 9 Ca -0.03 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3h0m h GLU 9 Cb 1.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3h0m h GLU 9 CO 0.07 0.57 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.54 3h0m h LEU 10 N 0.54 0.95 -0.07 1.33 4.07 -0.67 -2.89 115.31 118.57 3h0m h LEU 10 Ca 0.14 -0.33 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 3h0m h LEU 10 Cb 0.17 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 3h0m h LEU 10 CO -0.01 1.05 0.04 -0.09 -1.08 0.00 0.00 178.44 178.35 3h0m h ARG 11 N 0.83 0.09 -0.88 1.13 2.43 -0.77 -1.16 114.38 116.05 3h0m h ARG 11 Ca 0.14 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3h0m h ARG 11 Cb 0.60 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 3h0m h ARG 11 CO 0.04 0.15 0.57 1.49 -1.51 0.00 0.00 179.97 180.71 3h0m h GLU 12 N 0.01 1.05 -0.29 0.20 4.81 -1.46 0.16 114.58 119.06 3h0m h GLU 12 Ca 0.02 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3h0m h GLU 12 Cb 0.09 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3h0m h GLU 12 CO -0.00 0.70 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.88 3h0m h LEU 13 N 1.08 0.43 0.16 1.64 4.07 -1.35 -2.71 115.31 118.64 3h0m h LEU 13 Ca 0.36 -0.08 -0.30 0.00 0.08 0.00 0.00 57.88 57.93 3h0m h LEU 13 Cb 0.04 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.68 3h0m h LEU 13 CO -0.13 0.51 -1.42 -0.07 -1.08 0.00 0.00 178.44 176.26 3h0m h LEU 14 N 0.44 0.54 -0.88 1.67 3.38 -0.21 -1.11 115.31 119.14 3h0m h LEU 14 Ca 0.09 -0.63 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 3h0m h LEU 14 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h0m h LEU 14 CO 0.01 1.50 -0.30 0.50 0.09 0.00 0.00 178.44 180.25 3h0m h LYS 15 N 0.09 0.47 -0.63 1.13 3.64 -0.73 -2.72 116.57 117.83 3h0m h LYS 15 Ca -0.21 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3h0m h LYS 15 Cb 2.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 3h0m h LYS 15 CO 0.21 0.72 0.00 0.54 -2.27 0.00 0.00 179.45 178.66 3h0m n ARG 16 N -4.09 4.13 -0.54 1.90 1.74 -1.02 -4.95 116.66 113.82 3h0m n ARG 16 Ca -0.01 -2.83 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 3h0m n ARG 16 Cb 0.44 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 3h0m n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0m n GLY 17 N 0.85 0.35 0.37 -0.13 0.00 -1.03 -4.78 105.19 100.81 3h0m n GLY 17 Ca 0.25 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.46 3h0m n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 18 N 0.77 0.00 -4.47 1.61 5.08 -1.51 -3.41 114.58 112.65 3h0m h GLU 18 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3h0m h GLU 18 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3h0m h GLU 18 CO 0.00 0.00 -0.69 0.54 -1.00 0.00 0.00 179.01 177.86 3h0m s VAL 19 N -4.80 0.49 0.22 3.13 0.11 -0.75 -5.03 120.40 113.78 3h0m s VAL 19 Ca -0.05 -1.82 0.09 0.00 -2.93 0.00 0.00 61.98 57.27 3h0m s VAL 19 Cb 0.17 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 3h0m s VAL 19 CO 0.62 -0.89 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.55 3h0m s SER 20 N -2.89 4.57 0.30 3.54 1.04 -1.26 -4.42 113.70 114.58 3h0m s SER 20 Ca 0.08 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.03 3h0m s SER 20 Cb 0.05 -0.88 0.77 0.00 0.10 0.00 0.00 66.02 66.05 3h0m s SER 20 CO -0.06 0.05 1.73 -0.65 0.98 0.00 0.00 173.24 175.29 3h0m h PRO 21 N 2.36 0.55 -0.82 4.02 0.11 -1.89 -1.28 132.00 135.04 3h0m h PRO 21 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h0m h PRO 21 Cb 1.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3h0m h PRO 21 CO 0.58 0.36 0.50 -0.22 -0.21 0.00 0.00 178.00 179.02 3h0m h LYS 22 N 0.56 1.12 -0.23 1.05 3.64 -1.89 -1.77 116.57 119.04 3h0m h LYS 22 Ca 0.58 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.82 3h0m h LYS 22 Cb 1.04 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3h0m h LYS 22 CO -0.46 0.78 -0.02 0.93 -2.27 0.00 0.00 179.45 178.41 3h0m h GLU 23 N 1.13 0.42 -0.30 1.90 5.08 -1.65 -0.17 114.58 120.99 3h0m h GLU 23 Ca 0.30 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3h0m h GLU 23 Cb -0.05 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 3h0m h GLU 23 CO -0.06 0.62 -0.24 0.28 -1.00 0.00 0.00 179.01 178.62 3h0m h VAL 24 N 0.18 0.38 -0.50 3.13 2.07 -1.25 0.32 116.25 120.58 3h0m h VAL 24 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3h0m h VAL 24 Cb 0.45 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3h0m h VAL 24 CO 0.02 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.49 3h0m h VAL 25 N -0.22 1.05 -0.64 2.57 2.07 -1.20 -2.35 116.25 117.53 3h0m h VAL 25 Ca 0.16 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3h0m h VAL 25 Cb 0.46 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3h0m h VAL 25 CO -0.43 0.11 0.37 -0.33 0.02 0.00 0.00 177.57 177.31 3h0m h GLU 26 N 0.60 0.68 0.30 1.57 5.08 -0.06 0.14 114.58 122.89 3h0m h GLU 26 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3h0m h GLU 26 Cb 0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3h0m h GLU 26 CO -0.09 0.45 -0.40 1.03 -1.00 0.00 0.00 179.01 179.00 3h0m h SER 27 N 0.70 -1.11 -0.07 1.42 0.87 0.04 -0.62 113.55 114.77 3h0m h SER 27 Ca 0.28 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.88 3h0m h SER 27 Cb 0.12 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3h0m h SER 27 CO -0.15 -0.52 -0.14 -0.26 -0.53 0.00 0.00 176.83 175.22 3h0m h PHE 28 N -0.75 0.44 -0.47 2.24 0.04 -1.27 -2.18 116.94 114.99 3h0m h PHE 28 Ca -0.01 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 60.74 3h0m h PHE 28 Cb 0.70 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 3h0m h PHE 28 CO -0.27 0.54 0.21 -0.92 -0.60 0.00 0.00 178.31 177.28 3h0m h TYR 29 N 0.38 0.38 -0.15 -0.55 5.03 -0.41 0.34 116.97 121.98 3h0m h TYR 29 Ca 0.07 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 3h0m h TYR 29 Cb 0.48 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 3h0m h TYR 29 CO 0.01 0.16 0.06 -0.44 -1.32 0.00 0.00 178.16 176.64 3h0m h ASP 30 N 0.41 0.21 -0.83 -2.11 3.32 -0.53 0.12 116.42 117.03 3h0m h ASP 30 Ca 0.22 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.17 3h0m h ASP 30 Cb 0.17 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3h0m h ASP 30 CO -0.18 0.31 0.54 -0.09 -1.72 0.00 0.00 179.24 178.10 3h0m h ARG 31 N 0.10 0.90 -0.04 3.56 9.65 -1.21 0.45 114.38 127.78 3h0m h ARG 31 Ca 0.05 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3h0m h ARG 31 Cb 0.16 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3h0m h ARG 31 CO -0.00 0.59 -0.07 -0.92 2.80 0.00 0.00 179.97 182.37 3h0m h TYR 32 N 0.92 -0.16 -0.38 2.20 3.20 0.16 -2.12 116.97 120.79 3h0m h TYR 32 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3h0m h TYR 32 Cb 0.20 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3h0m h TYR 32 CO -0.00 -0.10 0.06 -0.91 -1.64 0.00 0.00 178.16 175.56 3h0m h ASN 33 N -0.10 0.54 -0.76 -2.11 4.21 0.19 0.27 115.58 117.82 3h0m h ASN 33 Ca 0.04 -0.09 0.03 0.00 1.21 0.00 0.00 56.30 57.49 3h0m h ASN 33 Cb 0.15 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 3h0m h ASN 33 CO -0.10 0.57 0.49 1.56 -1.29 0.00 0.00 177.43 178.66 3h0m h GLN 34 N 0.56 0.93 0.00 0.81 4.20 -0.08 -3.39 115.11 118.14 3h0m h GLN 34 Ca 0.13 -0.06 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 3h0m h GLN 34 Cb 0.27 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3h0m h GLN 34 CO 0.00 0.61 -1.88 2.41 -0.67 0.00 0.00 178.83 179.31 3h0m n THR 35 N -4.61 0.88 -0.20 -0.54 -1.04 -0.76 -4.70 114.28 103.31 3h0m n THR 35 Ca 0.08 -0.41 0.13 0.00 -2.04 0.00 0.00 64.05 61.81 3h0m n THR 35 Cb 0.08 -0.91 0.43 0.00 -1.82 0.00 0.00 70.33 68.11 3h0m n THR 35 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h0m h GLU 36 N 0.00 0.55 0.00 -2.82 4.57 -0.70 -0.39 114.58 115.79 3h0m h GLU 36 Ca -0.34 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 3h0m h GLU 36 Cb 1.63 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 3h0m h GLU 36 CO -0.03 0.36 -0.21 1.49 -1.18 0.00 0.00 179.01 179.45 3h0m h GLU 37 N 0.57 0.00 0.00 1.92 4.81 -1.84 0.11 114.58 120.15 3h0m h GLU 37 Ca 0.38 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 3h0m h GLU 37 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3h0m h GLU 37 CO -0.15 0.21 -0.44 0.87 -0.73 0.00 0.00 179.01 178.77 3h0m h LYS 38 N 0.00 0.00 0.16 1.92 1.57 -1.43 -3.43 116.57 115.36 3h0m h LYS 38 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3h0m h LYS 38 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3h0m h LYS 38 CO 0.03 0.89 -0.08 0.28 -0.57 0.00 0.00 179.45 180.00 3h0m h VAL 39 N -1.00 0.54 -4.35 0.50 2.07 -1.13 -3.42 116.25 109.45 3h0m h VAL 39 Ca -0.12 -1.11 -0.20 0.00 0.82 0.00 0.00 66.70 66.09 3h0m h VAL 39 Cb 1.01 0.95 0.11 0.00 -1.52 0.00 0.00 31.29 31.84 3h0m h VAL 39 CO -0.07 0.16 -0.50 0.29 0.02 0.00 0.00 177.57 177.47 3h0m n LYS 40 N -4.90 -3.84 0.05 1.57 5.02 0.38 -0.94 118.16 115.49 3h0m n LYS 40 Ca -0.06 0.54 -0.06 0.00 -2.02 0.00 0.00 58.31 56.72 3h0m n LYS 40 Cb 0.21 -4.59 0.13 0.00 -0.02 0.00 0.00 35.03 30.76 3h0m n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0m h ALA 41 N 0.49 0.88 -3.24 7.82 0.00 -1.87 -3.38 119.26 119.96 3h0m h ALA 41 Ca -0.38 -0.48 -0.65 0.00 0.00 0.00 0.00 54.91 53.40 3h0m h ALA 41 Cb 1.21 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3h0m h ALA 41 CO 0.31 0.67 -0.62 0.71 0.00 0.00 0.00 179.25 180.32 3h0m s TYR 42 N -4.02 3.14 -0.18 0.00 1.51 -1.26 0.48 117.35 117.02 3h0m s TYR 42 Ca -0.06 0.07 -0.14 0.00 -1.01 0.00 0.00 57.07 55.94 3h0m s TYR 42 Cb 0.12 -1.63 -0.21 0.00 -0.11 0.00 0.00 41.96 40.13 3h0m s TYR 42 CO 0.81 0.51 0.21 -0.89 -1.11 0.00 0.00 175.55 175.07 3h0m n ILE 43 N 0.77 1.64 -3.68 2.71 5.41 0.36 -4.67 119.36 121.90 3h0m n ILE 43 Ca -0.11 -0.35 -0.29 0.00 1.00 0.00 0.00 62.75 63.01 3h0m n ILE 43 Cb 0.52 -1.87 -0.16 0.00 -0.71 0.00 0.00 39.64 37.42 3h0m n ILE 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3h0m s THR 44 N -2.46 0.51 0.22 1.39 2.01 -0.68 -4.98 115.64 111.65 3h0m s THR 44 Ca -0.27 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.50 3h0m s THR 44 Cb 0.07 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 3h0m s THR 44 CO 0.66 -0.52 1.04 -2.16 -0.69 0.00 0.00 174.62 172.94 3h0m s PRO 45 N 1.83 4.70 -0.08 4.92 0.04 -1.26 0.72 135.00 145.86 3h0m s PRO 45 Ca 0.06 1.65 0.16 0.00 0.04 0.00 0.00 61.00 62.90 3h0m s PRO 45 Cb -0.17 -3.26 0.33 0.00 0.04 0.00 0.00 34.50 31.44 3h0m s PRO 45 CO -0.22 0.26 1.15 1.28 0.04 0.00 0.00 177.00 179.51 3h0m n LEU 46 N 1.83 1.55 -0.34 -3.56 4.77 0.43 -4.78 117.00 116.90 3h0m n LEU 46 Ca 0.00 -2.57 -0.03 0.00 -0.03 0.00 0.00 56.01 53.38 3h0m n LEU 46 Cb 0.46 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3h0m n LEU 46 CO 0.52 0.77 1.23 1.88 -1.33 0.00 0.00 177.39 180.46 3h0m h TYR 47 N 0.68 1.18 -0.27 -1.77 -1.99 -1.81 0.12 116.97 113.11 3h0m h TYR 47 Ca -0.09 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.71 3h0m h TYR 47 Cb 1.40 -0.39 -0.08 0.00 2.00 0.00 0.00 36.73 39.67 3h0m h TYR 47 CO 0.32 0.77 -0.36 0.78 -0.00 0.00 0.00 178.16 179.66 3h0m h GLY 48 N 1.24 -0.46 1.97 3.88 0.00 -1.91 0.28 103.07 108.08 3h0m h GLY 48 Ca 0.33 0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.99 3h0m h GLY 48 CO -0.07 -0.21 -0.60 1.70 0.00 0.00 0.00 176.54 177.36 3h0m h LYS 49 N -0.36 0.03 -0.47 4.80 3.64 -1.79 -2.87 116.57 119.55 3h0m h LYS 49 Ca 0.12 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 3h0m h LYS 49 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3h0m h LYS 49 CO -0.46 0.62 -0.22 0.00 -2.27 0.00 0.00 179.45 177.12 3h0m h ALA 50 N 1.37 0.72 -0.49 5.00 0.00 -0.30 -1.66 119.26 123.90 3h0m h ALA 50 Ca -0.01 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3h0m h ALA 50 Cb 1.07 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 3h0m h ALA 50 CO 0.08 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.79 3h0m h LEU 51 N 0.83 -0.51 -0.65 0.00 4.07 -0.23 0.91 115.31 119.72 3h0m h LEU 51 Ca 0.11 0.15 -0.09 0.00 0.08 0.00 0.00 57.88 58.13 3h0m h LEU 51 Cb 0.79 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 3h0m h LEU 51 CO 0.07 -0.18 0.01 0.11 -1.08 0.00 0.00 178.44 177.37 3h0m h LYS 52 N -0.02 1.06 0.00 1.13 1.57 -1.39 -2.96 116.57 115.96 3h0m h LYS 52 Ca 0.24 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3h0m h LYS 52 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3h0m h LYS 52 CO -0.52 1.03 -0.28 1.96 -0.57 0.00 0.00 179.45 181.07 3h0m h GLN 53 N 0.97 0.00 -0.41 3.15 4.20 -0.74 -2.80 115.11 119.49 3h0m h GLN 53 Ca 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3h0m h GLN 53 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3h0m h GLN 53 CO 0.03 0.28 -0.05 0.00 -0.67 0.00 0.00 178.83 178.42 3h0m h ALA 54 N 1.72 1.15 -0.81 3.87 0.00 -0.66 -3.09 119.26 121.44 3h0m h ALA 54 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3h0m h ALA 54 Cb 0.69 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3h0m h ALA 54 CO 0.04 0.54 0.53 0.93 0.00 0.00 0.00 179.25 181.29 3h0m h GLU 55 N 0.63 0.94 -0.01 0.00 5.08 -1.50 -1.85 114.58 117.88 3h0m h GLU 55 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3h0m h GLU 55 Cb 0.47 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3h0m h GLU 55 CO 0.02 0.62 -0.13 -1.13 -1.00 0.00 0.00 179.01 177.40 3h0m n SER 56 N -4.46 1.16 -4.66 1.42 3.41 -1.17 -4.83 113.62 104.49 3h0m n SER 56 Ca 0.11 -1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 57.16 3h0m n SER 56 Cb 0.14 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3h0m n SER 56 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h0m s LEU 57 N -2.27 4.08 0.00 1.04 0.20 -0.70 -4.89 118.68 116.15 3h0m s LEU 57 Ca 0.31 1.33 0.00 0.00 0.69 0.00 0.00 54.13 56.47 3h0m s LEU 57 Cb 0.20 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.42 3h0m s LEU 57 CO 0.43 -0.70 0.00 0.29 -0.29 0.00 0.00 176.35 176.08 3h0m n LYS 58 N 6.41 0.00 -2.02 1.98 5.02 -1.26 -4.95 118.16 123.33 3h0m n LYS 58 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 3h0m n LYS 58 Cb 0.46 -0.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.92 3h0m n LYS 58 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h0m s GLU 59 N -1.81 3.19 0.41 1.97 2.12 -1.26 -4.86 118.70 118.47 3h0m s GLU 59 Ca 0.00 1.24 0.22 0.00 0.36 0.00 0.00 54.97 56.79 3h0m s GLU 59 Cb 0.00 -4.23 0.72 0.00 0.26 0.00 0.00 34.13 30.89 3h0m s GLU 59 CO 0.00 -2.03 1.74 0.00 -0.54 0.00 0.00 175.26 174.43 3h0m h ARG 60 N 13.25 0.00 0.00 4.30 3.08 -1.95 -3.20 114.38 129.86 3h0m h ARG 60 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3h0m h ARG 60 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3h0m h ARG 60 CO 1.07 0.26 0.00 -1.91 -1.07 0.00 0.00 179.97 178.32 3h0m n GLU 61 N -3.33 0.58 -1.70 0.04 2.13 -1.26 -4.64 120.64 112.47 3h0m n GLU 61 Ca 0.01 0.02 -0.44 0.00 0.66 0.00 0.00 57.16 57.41 3h0m n GLU 61 Cb 0.49 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.67 3h0m n GLU 61 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h0m n LEU 62 N -1.18 3.72 -0.24 4.31 4.32 -1.21 -4.87 117.00 121.85 3h0m n LEU 62 Ca 0.16 1.05 0.30 0.00 -0.02 0.00 0.00 56.01 57.50 3h0m n LEU 62 Cb 0.17 -1.52 0.70 0.00 -1.62 0.00 0.00 43.42 41.16 3h0m n LEU 62 CO 0.19 0.04 1.28 -0.65 -1.22 0.00 0.00 177.39 177.02 3h0m h PRO 63 N 7.04 0.06 -0.24 3.23 0.11 -1.87 0.18 132.00 140.51 3h0m h PRO 63 Ca -0.45 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3h0m h PRO 63 Cb 1.22 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 3h0m h PRO 63 CO 0.94 0.04 -0.50 1.28 -0.21 0.00 0.00 178.00 179.54 3h0m n LEU 64 N -4.28 3.49 -0.19 2.35 4.77 0.46 -4.98 117.00 118.61 3h0m n LEU 64 Ca 0.21 -4.10 -0.05 0.00 -0.03 0.00 0.00 56.01 52.05 3h0m n LEU 64 Cb 1.03 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3h0m n LEU 64 CO 0.38 1.56 0.21 0.33 -1.33 0.00 0.00 177.39 178.54 3h0m n PHE 65 N -1.02 -0.20 -0.99 -1.77 7.35 0.63 -1.21 117.46 120.25 3h0m n PHE 65 Ca 0.27 0.56 0.09 0.00 -0.76 0.00 0.00 57.45 57.61 3h0m n PHE 65 Cb 0.80 -0.54 0.17 0.00 0.35 0.00 0.00 39.48 40.26 3h0m n PHE 65 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h0m n GLY 66 N -1.11 4.53 3.66 7.13 0.00 -1.26 -4.36 105.19 113.78 3h0m n GLY 66 Ca 0.01 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3h0m n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0m s ILE 67 N -2.75 4.81 0.50 -0.61 -1.09 -0.35 -4.77 121.20 116.95 3h0m s ILE 67 Ca 0.33 1.72 -0.22 0.00 -2.23 0.00 0.00 60.65 60.25 3h0m s ILE 67 Cb 0.28 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 3h0m s ILE 67 CO 0.05 -0.06 1.28 -2.84 -1.23 0.00 0.00 174.94 172.13 3h0m s PRO 68 N 2.66 3.44 -0.14 2.79 0.02 -1.26 -0.14 135.00 142.36 3h0m s PRO 68 Ca 0.39 2.05 -0.06 0.00 0.02 0.00 0.00 61.00 63.39 3h0m s PRO 68 Cb -0.16 -2.35 0.06 0.00 0.02 0.00 0.00 34.50 32.08 3h0m s PRO 68 CO 0.09 -0.89 0.32 -1.50 -0.33 0.00 0.00 177.00 174.69 3h0m s ILE 69 N -1.40 -0.24 0.51 2.83 1.10 -0.62 -4.41 121.20 118.97 3h0m s ILE 69 Ca 0.67 0.18 -0.11 0.00 -0.51 0.00 0.00 60.65 60.88 3h0m s ILE 69 Cb -0.35 -0.50 -0.06 0.00 0.15 0.00 0.00 42.46 41.70 3h0m s ILE 69 CO 0.43 0.07 0.91 0.00 -2.11 0.00 0.00 174.94 174.24 3h0m s ALA 70 N 1.84 3.21 -0.02 1.50 0.00 -1.11 -1.62 121.76 125.56 3h0m s ALA 70 Ca -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3h0m s ALA 70 Cb -0.11 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3h0m s ALA 70 CO -0.10 -0.34 0.04 0.08 0.00 0.00 0.00 175.76 175.43 3h0m s VAL 71 N -2.76 -0.04 0.40 0.00 1.01 -0.79 -1.77 120.40 116.45 3h0m s VAL 71 Ca 0.54 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.41 3h0m s VAL 71 Cb -0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 3h0m s VAL 71 CO 0.41 0.06 1.33 -0.75 0.00 0.00 0.00 175.10 176.15 3h0m s LYS 72 N 0.79 3.98 -0.12 2.72 2.20 -0.98 -0.16 119.74 128.17 3h0m s LYS 72 Ca -0.07 2.23 0.01 0.00 -0.36 0.00 0.00 55.97 57.78 3h0m s LYS 72 Cb -0.09 -2.79 0.15 0.00 -1.51 0.00 0.00 37.83 33.58 3h0m s LYS 72 CO -0.02 -0.50 1.38 -3.47 -0.36 0.00 0.00 175.35 172.38 3h0m n ASP 73 N 0.18 3.75 -0.09 1.43 -0.08 -1.01 -1.55 116.55 119.17 3h0m n ASP 73 Ca 0.03 -2.46 0.01 0.00 -1.51 0.00 0.00 54.79 50.86 3h0m n ASP 73 Cb 0.43 -0.69 0.02 0.00 2.34 0.00 0.00 41.12 43.22 3h0m n ASP 73 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3h0m n ASN 74 N 0.27 1.93 -4.52 1.67 0.23 -1.26 0.05 115.26 113.63 3h0m n ASN 74 Ca 0.15 -1.80 -0.34 0.00 -0.53 0.00 0.00 54.58 52.05 3h0m n ASN 74 Cb 0.73 -0.03 -0.12 0.00 -2.08 0.00 0.00 39.78 38.29 3h0m n ASN 74 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3h0m s ILE 75 N -0.82 4.18 -0.04 1.53 1.01 -0.60 -0.51 121.20 125.95 3h0m s ILE 75 Ca 0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3h0m s ILE 75 Cb 0.02 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3h0m s ILE 75 CO 0.02 0.46 1.16 -0.76 0.00 0.00 0.00 174.94 175.82 3h0m s LEU 76 N 0.62 4.29 -0.19 2.97 1.02 -0.46 -4.90 118.68 122.04 3h0m s LEU 76 Ca -0.00 1.80 -0.00 0.00 0.02 0.00 0.00 54.13 55.95 3h0m s LEU 76 Cb -0.14 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.52 3h0m s LEU 76 CO 0.02 -0.53 -0.15 -0.69 0.02 0.00 0.00 176.35 175.02 3h0m s VAL 77 N 1.93 2.47 0.23 -1.59 1.01 -1.26 -1.22 120.40 121.98 3h0m s VAL 77 Ca 0.55 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3h0m s VAL 77 Cb -0.24 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 3h0m s VAL 77 CO 0.23 0.50 1.31 -0.70 0.00 0.00 0.00 175.10 176.45 3h0m s GLU 78 N 1.32 4.38 0.00 2.72 2.12 -1.23 -2.37 118.70 125.64 3h0m s GLU 78 Ca 0.05 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.48 3h0m s GLU 78 Cb -0.13 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3h0m s GLU 78 CO -0.09 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3h0m n GLY 79 N 1.98 3.32 3.58 -1.50 0.00 0.00 -4.96 105.19 107.60 3h0m n GLY 79 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3h0m n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0m s GLU 80 N -0.65 2.09 0.28 1.61 0.41 -1.00 -4.79 118.70 116.65 3h0m s GLU 80 Ca 0.00 -1.33 -0.30 0.00 -0.41 0.00 0.00 54.97 52.93 3h0m s GLU 80 Cb 0.00 -2.14 -0.13 0.00 -1.78 0.00 0.00 34.13 30.08 3h0m s GLU 80 CO 0.00 0.41 1.44 1.63 -0.49 0.00 0.00 175.26 178.25 3h0m n LYS 81 N -0.19 2.26 -3.99 1.61 5.02 -1.26 -2.04 118.16 119.57 3h0m n LYS 81 Ca -0.10 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.68 3h0m n LYS 81 Cb 0.56 -2.48 -0.15 0.00 -0.02 0.00 0.00 35.03 32.94 3h0m n LYS 81 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h0m s THR 82 N -0.31 1.86 -0.11 -0.18 2.01 -0.70 -4.86 115.64 113.36 3h0m s THR 82 Ca 0.64 -1.56 0.21 0.00 0.31 0.00 0.00 61.69 61.29 3h0m s THR 82 Cb -0.58 -2.11 -0.23 0.00 0.01 0.00 0.00 72.50 69.59 3h0m s THR 82 CO 0.53 -0.17 0.57 0.35 -0.69 0.00 0.00 174.62 175.20 3h0m n THR 83 N 4.52 0.52 -2.15 -0.82 -2.24 -1.23 -4.62 114.28 108.26 3h0m n THR 83 Ca -0.10 -0.60 -0.08 0.00 -2.27 0.00 0.00 64.05 61.01 3h0m n THR 83 Cb 0.43 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 3h0m n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0m n ALA 85 N -1.78 -1.13 -2.41 0.00 0.00 -1.26 -1.15 120.51 112.78 3h0m n ALA 85 Ca -0.09 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 3h0m n ALA 85 Cb 0.49 -3.79 -0.13 0.00 0.00 0.00 0.00 19.45 16.02 3h0m n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0m s SER 86 N -2.95 3.53 0.37 0.00 0.15 0.16 -1.72 113.70 113.25 3h0m s SER 86 Ca 0.48 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.67 3h0m s SER 86 Cb -0.24 -0.46 0.71 0.00 -1.71 0.00 0.00 66.02 64.32 3h0m s SER 86 CO 0.59 0.25 1.97 0.11 1.20 0.00 0.00 173.24 177.37 3h0m h LYS 87 N 4.59 0.57 0.00 5.44 1.79 -1.84 -1.69 116.57 125.43 3h0m h LYS 87 Ca -0.47 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 3h0m h LYS 87 Cb 1.15 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3h0m h LYS 87 CO 0.45 0.47 0.00 1.51 -1.08 0.00 0.00 179.45 180.81 3h0m n ILE 88 N -4.38 0.94 -0.99 1.86 3.06 -0.81 -2.92 119.36 116.12 3h0m n ILE 88 Ca 0.03 0.26 0.02 0.00 -2.50 0.00 0.00 62.75 60.55 3h0m n ILE 88 Cb 0.14 -1.11 0.02 0.00 0.54 0.00 0.00 39.64 39.24 3h0m n ILE 88 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3h0m n LEU 89 N -1.87 0.88 -4.76 9.51 4.32 -1.03 -1.60 117.00 122.45 3h0m n LEU 89 Ca 0.03 -1.23 -0.40 0.00 -0.02 0.00 0.00 56.01 54.38 3h0m n LEU 89 Cb 0.19 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.88 3h0m n LEU 89 CO 0.16 0.30 0.85 -1.83 -1.22 0.00 0.00 177.39 175.64 3h0m s GLU 90 N -0.71 4.56 0.00 3.23 -1.05 -0.67 -2.43 118.70 121.63 3h0m s GLU 90 Ca 0.05 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 3h0m s GLU 90 Cb 0.05 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 3h0m s GLU 90 CO 0.00 0.09 0.00 0.09 0.95 0.00 0.00 175.26 176.39 3h0m n ASN 91 N 1.27 -0.63 -4.61 0.83 3.02 -1.26 -4.68 115.26 109.20 3h0m n ASN 91 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3h0m n ASN 91 Cb 0.44 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 3h0m n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3h0m s PHE 92 N -3.39 2.55 -0.17 3.10 5.36 -1.02 -4.89 117.98 119.52 3h0m s PHE 92 Ca 0.00 0.72 -0.21 0.00 -0.96 0.00 0.00 56.93 56.49 3h0m s PHE 92 Cb 0.00 -4.26 -0.03 0.00 -0.34 0.00 0.00 43.02 38.39 3h0m s PHE 92 CO 0.00 -1.76 0.61 0.08 -1.46 0.00 0.00 175.22 172.69 3h0m s VAL 93 N 5.01 5.06 -0.04 3.12 1.01 -1.26 -1.71 120.40 131.58 3h0m s VAL 93 Ca 0.57 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 3h0m s VAL 93 Cb -0.13 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3h0m s VAL 93 CO 0.31 0.17 1.46 0.00 0.00 0.00 0.00 175.10 177.03 3h0m s ALA 94 N 1.53 3.61 -1.47 5.51 0.00 -0.86 -4.87 121.76 125.21 3h0m s ALA 94 Ca 0.29 0.83 0.30 0.00 0.00 0.00 0.00 51.96 53.39 3h0m s ALA 94 Cb -0.16 -3.65 1.53 0.00 0.00 0.00 0.00 23.12 20.85 3h0m s ALA 94 CO 0.11 -1.10 2.06 -2.30 0.00 0.00 0.00 175.76 174.53 3h0m n PRO 95 N 6.09 0.47 -3.58 0.00 -0.02 -1.26 -0.82 135.00 135.88 3h0m n PRO 95 Ca 0.15 -0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3h0m n PRO 95 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3h0m n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h0m s TYR 96 N -2.54 -0.35 0.02 6.00 1.13 -1.26 -4.94 117.35 115.41 3h0m s TYR 96 Ca 0.30 0.06 -0.26 0.00 -1.41 0.00 0.00 57.07 55.76 3h0m s TYR 96 Cb 0.20 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 3h0m s TYR 96 CO 0.46 -0.88 0.79 -0.51 -2.51 0.00 0.00 175.55 172.90 3h0m s ASP 97 N -2.81 7.20 0.58 -0.18 1.01 -1.26 -3.57 116.67 117.64 3h0m s ASP 97 Ca 0.04 1.44 -0.19 0.00 0.71 0.00 0.00 52.55 54.55 3h0m s ASP 97 Cb -0.01 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 3h0m s ASP 97 CO -0.08 -0.05 0.93 0.00 0.21 0.00 0.00 175.17 176.17 3h0m n ALA 98 N 3.14 0.06 -0.21 5.23 0.00 -0.36 -4.80 120.51 123.58 3h0m n ALA 98 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.50 3h0m n ALA 98 Cb 0.50 -2.08 0.30 0.00 0.00 0.00 0.00 19.45 18.18 3h0m n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h0m h THR 99 N 0.60 1.08 -0.64 0.00 2.02 -1.35 -1.96 112.91 112.67 3h0m h THR 99 Ca -0.48 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3h0m h THR 99 Cb 1.36 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3h0m h THR 99 CO 0.51 0.16 0.24 -0.37 0.37 0.00 0.00 175.52 176.43 3h0m h VAL 100 N 0.87 1.24 -0.50 3.16 -1.51 -1.87 -1.69 116.25 115.95 3h0m h VAL 100 Ca 0.31 -0.77 -0.09 0.00 -1.23 0.00 0.00 66.70 64.92 3h0m h VAL 100 Cb 0.12 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 29.81 3h0m h VAL 100 CO -0.10 0.30 -0.05 0.40 -1.23 0.00 0.00 177.57 176.89 3h0m h ILE 101 N 0.90 1.26 -0.74 7.19 1.08 -1.73 0.12 117.51 125.60 3h0m h ILE 101 Ca 0.21 -1.13 0.04 0.00 -0.39 0.00 0.00 64.86 63.58 3h0m h ILE 101 Cb 0.23 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3h0m h ILE 101 CO -0.01 0.40 0.46 -0.08 -0.69 0.00 0.00 178.15 178.22 3h0m h GLU 102 N 0.80 0.85 0.00 2.37 4.81 -1.18 -0.39 114.58 121.85 3h0m h GLU 102 Ca 0.14 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 3h0m h GLU 102 Cb 0.56 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3h0m h GLU 102 CO 0.03 0.56 -0.89 0.00 -0.73 0.00 0.00 179.01 177.99 3h0m h ARG 103 N 0.88 0.22 -0.08 1.92 3.08 -0.51 -1.58 114.38 118.30 3h0m h ARG 103 Ca 0.30 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3h0m h ARG 103 Cb 0.06 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3h0m h ARG 103 CO -0.13 0.97 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.65 3h0m h LEU 104 N 0.12 0.16 -0.77 3.04 3.38 -0.67 -2.48 115.31 118.09 3h0m h LEU 104 Ca -0.05 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.65 3h0m h LEU 104 Cb 1.52 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 3h0m h LEU 104 CO 0.14 0.49 0.41 0.11 0.09 0.00 0.00 178.44 179.68 3h0m h LYS 105 N -0.17 0.66 0.00 1.13 1.57 -1.04 0.20 116.57 118.93 3h0m h LYS 105 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3h0m h LYS 105 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3h0m h LYS 105 CO 0.01 0.43 0.00 -0.22 -0.57 0.00 0.00 179.45 179.10 3h0m h LYS 106 N 0.68 0.00 -0.13 3.15 3.64 -1.26 -2.22 116.57 120.43 3h0m h LYS 106 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3h0m h LYS 106 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3h0m h LYS 106 CO -0.27 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.91 3h0m n ALA 107 N -1.97 2.51 -0.19 5.00 0.00 0.65 -4.93 120.51 121.58 3h0m n ALA 107 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3h0m n ALA 107 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3h0m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 108 N 1.25 0.91 3.58 0.00 0.00 -0.83 -0.40 105.19 109.69 3h0m n GLY 108 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h0m n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0m n ALA 109 N -1.06 -1.68 -3.88 4.61 0.00 -0.79 -4.20 120.51 113.51 3h0m n ALA 109 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 53.44 52.37 3h0m n ALA 109 Cb 0.00 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.20 3h0m n ALA 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h0m s LEU 110 N -6.27 1.94 -0.12 0.00 1.43 0.80 -4.62 118.68 111.83 3h0m s LEU 110 Ca 0.66 -0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3h0m s LEU 110 Cb -0.23 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3h0m s LEU 110 CO 0.61 -0.23 1.49 -0.63 0.23 0.00 0.00 176.35 177.82 3h0m s ILE 111 N 1.58 3.88 -1.31 -0.59 1.09 -1.26 -1.59 121.20 122.99 3h0m s ILE 111 Ca -0.02 1.05 0.18 0.00 -1.10 0.00 0.00 60.65 60.76 3h0m s ILE 111 Cb -0.17 -3.70 -0.08 0.00 -1.06 0.00 0.00 42.46 37.44 3h0m s ILE 111 CO -0.07 -0.12 0.85 0.55 -0.10 0.00 0.00 174.94 176.05 3h0m n VAL 112 N 5.53 0.00 0.00 2.92 3.14 -0.64 -4.57 118.33 124.71 3h0m n VAL 112 Ca 0.16 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3h0m n VAL 112 Cb 0.44 1.12 0.00 0.00 -1.06 0.00 0.00 33.84 34.34 3h0m n VAL 112 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h0m n GLY 113 N 1.32 1.70 3.36 7.55 0.00 -1.26 -0.43 105.19 117.43 3h0m n GLY 113 Ca 0.06 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 3h0m n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0m s LYS 114 N -2.00 3.43 0.10 1.61 -0.14 0.22 -1.89 119.74 121.07 3h0m s LYS 114 Ca 0.00 -0.63 -0.13 0.00 -1.36 0.00 0.00 55.97 53.85 3h0m s LYS 114 Cb 0.00 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 33.23 3h0m s LYS 114 CO 0.00 0.03 0.48 0.99 -0.76 0.00 0.00 175.35 176.09 3h0m s THR 115 N 0.88 4.96 0.75 2.17 2.01 0.77 0.14 115.64 127.30 3h0m s THR 115 Ca -0.02 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 3h0m s THR 115 Cb -0.15 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.70 3h0m s THR 115 CO 0.01 0.32 1.09 0.21 -0.69 0.00 0.00 174.62 175.55 3h0m s ASN 116 N -1.62 4.70 0.22 3.53 2.47 0.18 -2.41 114.94 122.01 3h0m s ASN 116 Ca 0.34 1.81 -0.22 0.00 0.42 0.00 0.00 52.86 55.21 3h0m s ASN 116 Cb -0.15 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3h0m s ASN 116 CO 0.18 -1.90 0.68 -1.48 -3.72 0.00 0.00 177.10 170.85 3h0m s LEU 117 N -5.75 -0.39 0.51 3.21 2.34 -1.26 -2.62 118.68 114.71 3h0m s LEU 117 Ca 0.61 -0.33 -0.22 0.00 0.06 0.00 0.00 54.13 54.24 3h0m s LEU 117 Cb -0.17 2.65 -0.06 0.00 -0.56 0.00 0.00 46.19 48.05 3h0m s LEU 117 CO 0.54 -1.17 1.29 -1.81 -1.06 0.00 0.00 176.35 174.14 3h0m s ASP 118 N -2.84 5.65 0.04 1.48 1.01 -1.13 -2.97 116.67 117.91 3h0m s ASP 118 Ca 0.07 2.60 -0.32 0.00 0.71 0.00 0.00 52.55 55.61 3h0m s ASP 118 Cb -0.04 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 3h0m s ASP 118 CO -0.02 -1.30 1.87 1.21 0.21 0.00 0.00 175.17 177.14 3h0m n GLU 119 N -0.77 2.59 -2.04 8.23 2.13 -0.82 -0.51 120.64 129.46 3h0m n GLU 119 Ca 0.09 0.95 -0.18 0.00 0.66 0.00 0.00 57.16 58.67 3h0m n GLU 119 Cb 0.46 -2.83 -0.04 0.00 0.27 0.00 0.00 31.44 29.30 3h0m n GLU 119 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3h0m n PHE 120 N 6.25 -0.71 -1.67 4.31 3.72 -0.30 -2.64 117.46 126.42 3h0m n PHE 120 Ca 0.20 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.51 3h0m n PHE 120 Cb 0.35 -3.41 -0.02 0.00 -0.94 0.00 0.00 39.48 35.47 3h0m n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h0m n ALA 121 N -0.75 -0.18 -3.69 4.37 0.00 0.33 -4.83 120.51 115.77 3h0m n ALA 121 Ca -0.20 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 3h0m n ALA 121 Cb 0.63 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 3h0m n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h0m s MET 122 N -3.50 2.16 0.00 0.00 -1.94 -1.08 -4.68 119.30 110.26 3h0m s MET 122 Ca 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 3h0m s MET 122 Cb 0.00 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.30 3h0m s MET 122 CO 0.00 -0.98 0.00 0.41 -0.01 0.00 0.00 175.02 174.44 3h0m n GLY 123 N 4.64 2.70 0.19 -0.03 0.00 -1.26 -4.51 105.19 106.92 3h0m n GLY 123 Ca -0.05 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.63 3h0m n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 124 N 0.00 2.07 0.00 1.61 7.64 -1.26 -2.35 113.62 121.33 3h0m n SER 124 Ca 0.00 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.78 3h0m n SER 124 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3h0m n SER 124 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h0m n SER 125 N -1.26 0.00 0.00 6.43 3.41 -1.23 -1.17 113.62 119.80 3h0m n SER 125 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3h0m n SER 125 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3h0m n SER 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0m n THR 126 N 0.00 0.00 0.20 6.66 -1.04 -1.14 -4.08 114.28 114.88 3h0m n THR 126 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 3h0m n THR 126 Cb 0.00 0.00 0.79 0.00 -1.82 0.00 0.00 70.33 69.30 3h0m n THR 126 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h0m h GLU 127 N 1.98 0.00 -0.19 -2.82 5.08 -1.89 -1.45 114.58 115.29 3h0m h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0m h GLU 127 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 127 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3h0m n TYR 128 N -3.39 0.25 -1.65 4.33 4.01 -1.26 -4.76 117.16 114.69 3h0m n TYR 128 Ca 0.03 -0.12 -0.49 0.00 -0.16 0.00 0.00 57.90 57.16 3h0m n TYR 128 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 3h0m n TYR 128 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h0m n SER 129 N 0.35 2.70 0.00 7.72 2.88 -0.55 -1.94 113.62 124.78 3h0m n SER 129 Ca 0.15 1.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 3h0m n SER 129 Cb 0.32 -1.34 0.46 0.00 -0.75 0.00 0.00 64.21 62.90 3h0m n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0m n ALA 130 N 3.73 1.97 -0.11 -1.46 0.00 -0.70 -3.87 120.51 120.08 3h0m n ALA 130 Ca 0.19 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 3h0m n ALA 130 Cb 0.25 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 3h0m n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h0m n PHE 131 N -1.38 0.00 -3.61 0.00 3.72 -1.26 -4.93 117.46 110.00 3h0m n PHE 131 Ca 0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.41 3h0m n PHE 131 Cb 0.19 -0.77 -0.05 0.00 -0.94 0.00 0.00 39.48 37.91 3h0m n PHE 131 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3h0m s PHE 132 N -2.51 -0.20 0.27 1.38 -0.71 -1.25 -5.16 117.98 109.80 3h0m s PHE 132 Ca -0.32 0.36 -0.29 0.00 -1.04 0.00 0.00 56.93 55.64 3h0m s PHE 132 Cb 0.11 0.47 -0.10 0.00 -1.21 0.00 0.00 43.02 42.29 3h0m s PHE 132 CO 0.41 -0.17 1.27 -1.25 -1.34 0.00 0.00 175.22 174.14 3h0m s PRO 133 N -0.95 4.42 0.30 1.99 0.04 -1.26 -4.68 135.00 134.87 3h0m s PRO 133 Ca 0.04 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 3h0m s PRO 133 Cb -0.01 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 3h0m s PRO 133 CO -0.04 -0.15 0.74 0.99 0.04 0.00 0.00 177.00 178.58 3h0m s THR 134 N -0.60 4.65 0.07 1.26 2.01 -1.26 -4.83 115.64 116.93 3h0m s THR 134 Ca 0.52 1.03 0.08 0.00 0.31 0.00 0.00 61.69 63.63 3h0m s THR 134 Cb -0.37 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3h0m s THR 134 CO 0.44 -0.11 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.52 3h0m s LYS 135 N -2.77 1.88 -0.22 4.92 1.02 -0.12 -4.41 119.74 120.04 3h0m s LYS 135 Ca 0.52 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 3h0m s LYS 135 Cb -0.12 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3h0m s LYS 135 CO 0.18 0.51 1.78 1.21 -0.92 0.00 0.00 175.35 178.11 3h0m s ASN 136 N -1.62 6.15 0.31 2.83 3.84 0.48 -4.72 114.94 122.21 3h0m s ASN 136 Ca 0.15 1.70 0.17 0.00 0.21 0.00 0.00 52.86 55.09 3h0m s ASN 136 Cb -0.10 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.00 3h0m s ASN 136 CO 0.06 -1.43 1.48 -0.81 -2.79 0.00 0.00 177.10 173.60 3h0m n PRO 137 N 7.97 0.11 0.01 0.43 -0.04 -1.26 -0.93 135.00 141.28 3h0m n PRO 137 Ca 0.21 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 3h0m n PRO 137 Cb 0.45 -2.00 0.02 0.00 -0.04 0.00 0.00 33.50 31.93 3h0m n PRO 137 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h0m n TRP 138 N -2.13 0.07 -3.15 0.54 7.02 -1.26 -4.10 117.44 114.42 3h0m n TRP 138 Ca -0.01 0.02 0.05 0.00 -1.02 0.00 0.00 57.50 56.54 3h0m n TRP 138 Cb 0.15 -0.20 -0.01 0.00 -2.42 0.00 0.00 31.31 28.84 3h0m n TRP 138 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h0m s ASP 139 N -3.29 -0.66 0.00 -0.99 -1.08 -0.11 -4.92 116.67 105.62 3h0m s ASP 139 Ca 0.07 0.21 0.13 0.00 -0.52 0.00 0.00 52.55 52.44 3h0m s ASP 139 Cb 0.16 1.47 0.75 0.00 -1.46 0.00 0.00 42.92 43.84 3h0m s ASP 139 CO 0.81 -0.12 1.27 0.18 0.52 0.00 0.00 175.17 177.82 3h0m n LEU 140 N 5.30 0.00 -0.04 -1.34 4.77 -0.80 0.72 117.00 125.62 3h0m n LEU 140 Ca 0.02 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.25 3h0m n LEU 140 Cb 0.55 -0.11 0.62 0.00 -2.33 0.00 0.00 43.42 42.15 3h0m n LEU 140 CO -0.12 -0.06 0.89 -0.62 -1.33 0.00 0.00 177.39 176.16 3h0m n GLU 141 N -1.11 0.35 -4.28 3.23 1.02 -1.26 -4.73 120.64 113.86 3h0m n GLU 141 Ca 0.09 -0.07 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 3h0m n GLU 141 Cb 0.07 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 3h0m n GLU 141 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3h0m s ARG 142 N -2.71 1.96 0.43 3.49 0.52 0.22 -3.28 118.95 119.59 3h0m s ARG 142 Ca 0.23 -1.19 -0.22 0.00 -0.52 0.00 0.00 55.73 54.03 3h0m s ARG 142 Cb 0.20 -2.17 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 3h0m s ARG 142 CO 0.51 0.47 0.99 0.14 0.02 0.00 0.00 175.30 177.43 3h0m s VAL 143 N -1.40 4.07 -2.29 3.52 -7.23 -0.54 -0.39 120.40 116.14 3h0m s VAL 143 Ca 0.22 1.37 0.24 0.00 -1.81 0.00 0.00 61.98 62.00 3h0m s VAL 143 Cb -0.10 -3.60 0.54 0.00 0.56 0.00 0.00 36.38 33.78 3h0m s VAL 143 CO 0.13 -0.20 1.69 -0.81 -0.31 0.00 0.00 175.10 175.60 3h0m n PRO 144 N -0.55 1.55 0.00 4.82 -0.04 -1.26 -4.46 135.00 135.06 3h0m n PRO 144 Ca 0.07 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 3h0m n PRO 144 Cb 0.52 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3h0m n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0m n GLY 145 N 1.09 -3.24 3.61 0.55 0.00 -1.26 -4.38 105.19 101.56 3h0m n GLY 145 Ca 0.18 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3h0m n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0m s GLY 146 N -0.85 -0.39 0.11 -0.02 0.00 -0.31 -2.88 107.32 102.99 3h0m s GLY 146 Ca 0.00 0.27 0.18 0.00 0.00 0.00 0.00 44.72 45.17 3h0m s GLY 146 CO 0.00 0.09 0.93 1.48 0.00 0.00 0.00 173.10 175.60 3h0m h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.57 -3.38 113.55 116.87 3h0m h SER 147 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3h0m h SER 147 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3h0m h SER 147 CO 0.31 0.44 0.11 -1.20 -0.87 0.00 0.00 176.83 175.62 3h0m n SER 148 N -2.87 1.78 0.01 4.97 7.64 -0.96 -2.84 113.62 121.34 3h0m n SER 148 Ca -0.06 -1.68 -0.15 0.00 1.01 0.00 0.00 58.87 57.99 3h0m n SER 148 Cb 0.76 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 63.44 3h0m n SER 148 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h0m h GLY 149 N 4.80 -0.99 2.00 0.23 0.00 -1.70 -2.62 103.07 104.80 3h0m h GLY 149 Ca 0.04 0.63 -0.05 0.00 0.00 0.00 0.00 47.33 47.95 3h0m h GLY 149 CO 0.23 -0.22 -0.22 -1.33 0.00 0.00 0.00 176.54 175.01 3h0m h GLY 150 N -0.59 0.00 2.00 4.60 0.00 -1.71 -0.91 103.07 106.46 3h0m h GLY 150 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 3h0m h GLY 150 CO -0.40 0.00 -0.86 1.76 0.00 0.00 0.00 176.54 177.04 3h0m h SER 151 N 0.00 0.00 0.21 0.19 0.02 -1.70 -1.84 113.55 110.43 3h0m h SER 151 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3h0m h SER 151 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3h0m h SER 151 CO 0.03 0.86 -0.10 0.00 -1.14 0.00 0.00 176.83 176.47 3h0m h ALA 152 N 1.14 -0.28 -0.62 3.77 0.00 -1.12 -3.16 119.26 118.99 3h0m h ALA 152 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.88 3h0m h ALA 152 Cb 1.54 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.33 3h0m h ALA 152 CO 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3h0m h ALA 153 N -0.77 0.61 0.00 0.00 0.00 -1.22 0.50 119.26 118.38 3h0m h ALA 153 Ca -0.03 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3h0m h ALA 153 Cb 0.39 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h0m h ALA 153 CO 0.05 -0.39 -0.39 0.66 0.00 0.00 0.00 179.25 179.18 3h0m h SER 154 N 0.12 0.00 0.75 0.00 4.64 -1.46 -0.35 113.55 117.25 3h0m h SER 154 Ca 0.32 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 3h0m h SER 154 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3h0m h SER 154 CO -0.53 0.39 -0.80 0.58 -0.87 0.00 0.00 176.83 175.59 3h0m h VAL 155 N 0.00 1.55 -0.03 0.95 2.07 -1.10 -1.49 116.25 118.21 3h0m h VAL 155 Ca -0.00 -2.69 -0.01 0.00 0.82 0.00 0.00 66.70 64.82 3h0m h VAL 155 Cb 0.69 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3h0m h VAL 155 CO 0.05 0.77 -0.01 0.00 0.02 0.00 0.00 177.57 178.40 3h0m h ALA 156 N 1.17 0.04 0.00 1.67 0.00 0.42 -2.97 119.26 119.59 3h0m h ALA 156 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h0m h ALA 156 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3h0m h ALA 156 CO 0.11 -0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.44 3h0m n VAL 157 N -4.85 0.57 -2.47 0.00 0.24 -0.28 -4.41 118.33 107.13 3h0m n VAL 157 Ca -0.08 0.02 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 3h0m n VAL 157 Cb 0.22 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 3h0m n VAL 157 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h0m n LEU 158 N -1.90 -1.95 0.20 1.34 4.77 -0.70 -4.89 117.00 113.88 3h0m n LEU 158 Ca 0.05 -0.08 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3h0m n LEU 158 Cb 0.31 -2.38 0.63 0.00 -2.33 0.00 0.00 43.42 39.65 3h0m n LEU 158 CO 0.24 -0.06 0.93 0.77 -1.33 0.00 0.00 177.39 177.93 3h0m h SER 159 N -0.33 0.00 -4.99 -1.43 4.64 -1.60 -3.43 113.55 106.40 3h0m h SER 159 Ca -0.39 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.81 3h0m h SER 159 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.17 3h0m h SER 159 CO 0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 176.07 3h0m s ALA 160 N -3.53 -0.64 0.16 5.18 0.00 -0.99 -4.69 121.76 117.24 3h0m s ALA 160 Ca 0.02 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.22 3h0m s ALA 160 Cb 0.09 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3h0m s ALA 160 CO 0.41 -0.26 1.41 -1.00 0.00 0.00 0.00 175.76 176.32 3h0m h PRO 161 N 3.92 0.00 -3.63 0.00 0.13 -1.83 -3.33 132.00 127.26 3h0m h PRO 161 Ca -0.30 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.72 3h0m h PRO 161 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3h0m h PRO 161 CO 0.41 0.84 -0.40 0.54 -0.23 0.00 0.00 178.00 179.16 3h0m s VAL 162 N -3.03 0.12 -0.00 1.56 0.11 -1.26 -4.30 120.40 113.59 3h0m s VAL 162 Ca 0.00 -0.97 -0.20 0.00 -2.93 0.00 0.00 61.98 57.89 3h0m s VAL 162 Cb 0.11 -0.99 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3h0m s VAL 162 CO 0.79 -0.54 0.43 -0.55 -3.33 0.00 0.00 175.10 171.91 3h0m s SER 163 N -2.23 -0.33 -0.14 3.54 0.15 -0.50 -2.76 113.70 111.43 3h0m s SER 163 Ca -0.03 0.21 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 3h0m s SER 163 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 3h0m s SER 163 CO -0.05 -0.55 0.04 -0.76 1.20 0.00 0.00 173.24 173.11 3h0m s LEU 164 N -1.50 3.73 0.00 3.45 1.02 -0.73 -0.62 118.68 124.03 3h0m s LEU 164 Ca -0.10 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.17 3h0m s LEU 164 Cb -0.03 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.27 3h0m s LEU 164 CO 0.04 0.26 0.04 0.61 0.02 0.00 0.00 176.35 177.32 3h0m n GLY 165 N 2.92 3.85 3.20 -3.19 0.00 -0.57 -2.32 105.19 109.08 3h0m n GLY 165 Ca -0.18 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 3h0m n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0m s SER 166 N -1.83 1.70 -0.23 1.61 1.04 -1.26 -1.19 113.70 113.54 3h0m s SER 166 Ca 0.06 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3h0m s SER 166 Cb 0.00 -0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.16 3h0m s SER 166 CO 0.04 -0.18 0.01 -0.62 0.98 0.00 0.00 173.24 173.48 3h0m s ASP 167 N -2.28 3.42 -0.20 7.02 -1.08 0.76 -3.41 116.67 120.89 3h0m s ASP 167 Ca 0.05 -1.08 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 3h0m s ASP 167 Cb -0.05 -0.85 -0.20 0.00 -1.46 0.00 0.00 42.92 40.36 3h0m s ASP 167 CO 0.02 -0.30 -0.04 0.41 0.52 0.00 0.00 175.17 175.78 3h0m n THR 168 N 4.88 1.29 -2.37 1.71 -1.04 -1.26 -1.91 114.28 115.57 3h0m n THR 168 Ca -0.09 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.05 61.23 3h0m n THR 168 Cb 0.45 -0.83 0.01 0.00 -1.82 0.00 0.00 70.33 68.14 3h0m n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h0m n GLY 169 N 2.07 1.13 0.00 3.41 0.00 -1.26 -4.67 105.19 105.87 3h0m n GLY 169 Ca -0.34 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3h0m n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0m n GLY 170 N -0.31 1.66 0.00 -0.02 0.00 -1.26 -3.77 105.19 101.49 3h0m n GLY 170 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3h0m n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 171 N 0.00 0.00 -0.12 1.61 7.64 -1.26 -0.91 113.62 120.58 3h0m n SER 171 Ca 0.00 0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.67 3h0m n SER 171 Cb 0.00 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 62.79 3h0m n SER 171 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3h0m n ILE 172 N -1.33 1.52 -0.06 0.44 5.41 -1.22 -2.27 119.36 121.85 3h0m n ILE 172 Ca 0.11 -0.22 -0.09 0.00 1.00 0.00 0.00 62.75 63.55 3h0m n ILE 172 Cb 0.23 -2.02 -0.02 0.00 -0.71 0.00 0.00 39.64 37.12 3h0m n ILE 172 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h0m h ARG 173 N -1.00 0.25 -0.44 0.38 3.08 -1.74 -1.11 114.38 113.80 3h0m h ARG 173 Ca -0.50 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.45 3h0m h ARG 173 Cb 1.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3h0m h ARG 173 CO -0.30 0.16 -0.09 -0.56 -1.07 0.00 0.00 179.97 178.12 3h0m h GLN 174 N 0.26 0.83 -0.86 0.04 -0.00 -1.33 -0.23 115.11 113.82 3h0m h GLN 174 Ca 0.09 -0.31 0.05 0.00 -0.00 0.00 0.00 58.65 58.48 3h0m h GLN 174 Cb 0.02 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.39 3h0m h GLN 174 CO -0.06 0.94 0.55 -1.35 -0.00 0.00 0.00 178.83 178.91 3h0m h PRO 175 N 0.67 1.00 -0.78 0.06 0.11 -1.73 -1.03 132.00 130.30 3h0m h PRO 175 Ca 0.11 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.17 3h0m h PRO 175 Cb 0.62 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 3h0m h PRO 175 CO 0.04 0.66 0.51 0.00 -0.21 0.00 0.00 178.00 179.00 3h0m h ALA 176 N 1.38 0.99 0.76 -0.75 0.00 -0.59 0.05 119.26 121.09 3h0m h ALA 176 Ca 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3h0m h ALA 176 Cb 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3h0m h ALA 176 CO -0.15 0.42 -0.36 1.03 0.00 0.00 0.00 179.25 180.19 3h0m h SER 177 N 1.06 -0.86 -0.39 0.00 0.87 -0.51 -0.31 113.55 113.40 3h0m h SER 177 Ca 0.28 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 3h0m h SER 177 Cb -0.10 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3h0m h SER 177 CO -0.06 -0.54 0.27 -0.26 -0.53 0.00 0.00 176.83 175.70 3h0m h PHE 178 N -1.14 0.25 -0.47 2.24 -1.00 -1.06 -2.43 116.94 113.33 3h0m h PHE 178 Ca -0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3h0m h PHE 178 Cb 0.80 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.28 3h0m h PHE 178 CO -0.01 0.13 0.00 0.00 -1.61 0.00 0.00 178.31 176.83 3h0m n GLY 180 N 1.35 -0.09 3.09 0.00 0.00 -0.58 -4.74 105.19 104.23 3h0m n GLY 180 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3h0m n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0m s VAL 181 N -3.24 0.39 0.12 1.61 1.01 -0.23 -4.89 120.40 115.17 3h0m s VAL 181 Ca 0.17 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 3h0m s VAL 181 Cb -0.08 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 3h0m s VAL 181 CO 0.50 -0.81 1.05 -0.63 0.00 0.00 0.00 175.10 175.21 3h0m s ILE 182 N -3.14 4.23 -0.07 2.22 1.01 0.38 -4.27 121.20 121.55 3h0m s ILE 182 Ca 0.03 1.81 -0.03 0.00 0.00 0.00 0.00 60.65 62.46 3h0m s ILE 182 Cb 0.02 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.38 3h0m s ILE 182 CO -0.06 0.26 0.17 -0.83 0.00 0.00 0.00 174.94 174.48 3h0m s GLY 183 N 0.20 -0.05 -0.06 6.18 0.00 -0.70 -1.21 107.32 111.68 3h0m s GLY 183 Ca 0.50 0.74 0.06 0.00 0.00 0.00 0.00 44.72 46.02 3h0m s GLY 183 CO 0.32 1.08 -0.25 -1.50 0.00 0.00 0.00 173.10 172.75 3h0m s ILE 184 N 1.25 2.03 -0.26 0.90 2.07 -0.43 -0.94 121.20 125.82 3h0m s ILE 184 Ca -0.09 -1.05 -0.04 0.00 -1.41 0.00 0.00 60.65 58.06 3h0m s ILE 184 Cb -0.11 -1.72 0.02 0.00 0.13 0.00 0.00 42.46 40.77 3h0m s ILE 184 CO -0.07 0.56 -0.00 -0.75 -1.91 0.00 0.00 174.94 172.78 3h0m s LYS 185 N -0.12 3.00 1.14 3.50 2.20 -0.85 -1.78 119.74 126.82 3h0m s LYS 185 Ca -0.05 -0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 54.48 3h0m s LYS 185 Cb -0.14 -3.15 0.28 0.00 -1.51 0.00 0.00 37.83 33.31 3h0m s LYS 185 CO 0.04 -0.40 1.07 -0.35 -0.36 0.00 0.00 175.35 175.35 3h0m n PRO 186 N 4.76 -2.80 -1.72 4.03 -0.04 -1.26 -1.67 135.00 136.31 3h0m n PRO 186 Ca -0.16 -1.70 -0.41 0.00 -0.04 0.00 0.00 63.50 61.19 3h0m n PRO 186 Cb 0.48 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3h0m n PRO 186 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3h0m n THR 187 N -4.61 2.34 -1.68 0.52 -1.04 -1.26 -4.28 114.28 104.27 3h0m n THR 187 Ca 0.15 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.21 3h0m n THR 187 Cb 0.56 -1.67 -0.04 0.00 -1.82 0.00 0.00 70.33 67.36 3h0m n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h0m n TYR 188 N 0.05 2.48 0.00 -1.42 9.36 -0.75 -0.74 117.16 126.15 3h0m n TYR 188 Ca 0.05 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3h0m n TYR 188 Cb 0.39 -2.73 0.00 0.00 -0.63 0.00 0.00 39.34 36.37 3h0m n TYR 188 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h0m n GLY 189 N 4.33 0.64 0.11 2.98 0.00 -1.26 -4.91 105.19 107.08 3h0m n GLY 189 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 3h0m n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0m h ARG 190 N 2.64 0.00 -5.26 1.61 2.43 -1.27 -1.01 114.38 113.52 3h0m h ARG 190 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 3h0m h ARG 190 Cb 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.23 3h0m h ARG 190 CO 0.00 0.75 -0.84 0.08 -1.51 0.00 0.00 179.97 178.45 3h0m s VAL 191 N -3.16 1.45 0.60 0.20 1.01 -1.26 -0.75 120.40 118.49 3h0m s VAL 191 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3h0m s VAL 191 Cb 0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3h0m s VAL 191 CO 0.78 0.42 1.32 -0.55 0.00 0.00 0.00 175.10 177.07 3h0m s SER 192 N 0.10 4.96 -0.13 3.32 0.15 -1.26 -4.72 113.70 116.12 3h0m s SER 192 Ca -0.05 2.67 0.15 0.00 0.70 0.00 0.00 55.95 59.42 3h0m s SER 192 Cb -0.12 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.06 3h0m s SER 192 CO 0.03 -1.77 1.41 0.54 1.20 0.00 0.00 173.24 174.65 3h0m n ARG 193 N -1.47 3.10 -2.29 5.44 1.74 -1.26 -4.73 116.66 117.18 3h0m n ARG 193 Ca 0.13 -2.65 -0.43 0.00 -0.77 0.00 0.00 57.85 54.13 3h0m n ARG 193 Cb 0.47 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3h0m n ARG 193 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3h0m s TYR 194 N -2.24 2.33 0.00 -1.55 5.04 -1.26 -2.24 117.35 117.43 3h0m s TYR 194 Ca 0.38 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 3h0m s TYR 194 Cb 0.28 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 38.37 3h0m s TYR 194 CO 0.12 -2.15 0.00 0.41 -1.34 0.00 0.00 175.55 172.60 3h0m n GLY 195 N 5.02 0.77 3.54 8.97 0.00 -1.26 -0.85 105.19 121.38 3h0m n GLY 195 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3h0m n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h0m s LEU 196 N 0.00 4.44 -0.17 0.99 2.96 -0.95 -1.35 118.68 124.60 3h0m s LEU 196 Ca 0.00 -0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 3h0m s LEU 196 Cb 0.00 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 3h0m s LEU 196 CO 0.00 -0.23 2.17 0.52 -1.32 0.00 0.00 176.35 177.49 3h0m n VAL 197 N 5.12 0.43 -2.07 1.68 0.31 0.33 -4.85 118.33 119.28 3h0m n VAL 197 Ca -0.12 -0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 3h0m n VAL 197 Cb 0.50 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.93 3h0m n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h0m s ALA 198 N 7.43 3.62 0.00 3.52 0.00 -1.26 -4.95 121.76 130.12 3h0m s ALA 198 Ca 0.99 1.25 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3h0m s ALA 198 Cb -0.38 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3h0m s ALA 198 CO 0.37 -0.68 0.00 0.34 0.00 0.00 0.00 175.76 175.79 3h0m n PHE 199 N 2.84 0.00 -3.93 0.00 7.35 -1.26 -4.77 117.46 117.68 3h0m n PHE 199 Ca 0.08 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.47 3h0m n PHE 199 Cb 0.41 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.09 3h0m n PHE 199 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h0m s ALA 200 N -3.20 2.37 0.38 3.13 0.00 -1.26 -2.60 121.76 120.57 3h0m s ALA 200 Ca 0.00 -2.08 0.11 0.00 0.00 0.00 0.00 51.96 49.99 3h0m s ALA 200 Cb 0.00 -1.77 0.90 0.00 0.00 0.00 0.00 23.12 22.24 3h0m s ALA 200 CO 0.00 -1.58 1.88 0.77 0.00 0.00 0.00 175.76 176.83 3h0m h SER 201 N 7.80 0.57 0.41 0.00 0.02 -1.93 0.14 113.55 120.57 3h0m h SER 201 Ca -0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3h0m h SER 201 Cb 1.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3h0m h SER 201 CO 0.49 0.28 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.87 3h0m n SER 202 N -4.54 0.22 0.00 3.07 3.41 -1.26 -4.10 113.62 110.42 3h0m n SER 202 Ca 0.17 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3h0m n SER 202 Cb 0.50 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3h0m n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h0m n LEU 203 N -1.10 1.08 -4.72 1.04 4.77 -0.33 -4.97 117.00 112.78 3h0m n LEU 203 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3h0m n LEU 203 Cb 0.24 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h0m n LEU 203 CO 0.23 0.18 1.00 0.47 -1.33 0.00 0.00 177.39 177.94 3h0m n ASP 204 N -2.10 3.09 -3.70 -1.43 8.00 0.34 -4.51 116.55 116.23 3h0m n ASP 204 Ca 0.00 1.20 -0.12 0.00 0.71 0.00 0.00 54.79 56.58 3h0m n ASP 204 Cb 0.46 -1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 39.95 3h0m n ASP 204 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h0m s GLN 205 N -1.60 0.47 0.50 -1.24 2.00 -0.80 -4.87 119.66 114.12 3h0m s GLN 205 Ca 0.57 0.73 -0.22 0.00 -2.00 0.00 0.00 55.36 54.45 3h0m s GLN 205 Cb -0.55 0.12 -0.07 0.00 0.80 0.00 0.00 33.01 33.31 3h0m s GLN 205 CO 0.60 -0.11 1.18 0.42 -0.50 0.00 0.00 175.29 176.87 3h0m s ILE 206 N 0.85 2.99 0.00 -2.34 1.01 -1.26 -0.17 121.20 122.27 3h0m s ILE 206 Ca -0.05 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3h0m s ILE 206 Cb -0.06 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3h0m s ILE 206 CO -0.07 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.43 3h0m n GLY 207 N 0.41 3.18 3.03 6.18 0.00 -0.33 -4.48 105.19 113.17 3h0m n GLY 207 Ca 0.09 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 3h0m n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0m s VAL 208 N -2.42 0.81 -0.01 1.61 1.01 -0.73 -1.51 120.40 119.17 3h0m s VAL 208 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3h0m s VAL 208 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3h0m s VAL 208 CO 0.00 0.24 -0.02 -0.36 0.00 0.00 0.00 175.10 174.96 3h0m s PHE 209 N -0.06 3.01 0.38 5.22 0.08 0.21 -1.32 117.98 125.50 3h0m s PHE 209 Ca 0.01 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.95 3h0m s PHE 209 Cb -0.06 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 3h0m s PHE 209 CO -0.00 0.43 0.80 0.41 -0.10 0.00 0.00 175.22 176.76 3h0m n GLY 210 N 1.51 0.96 0.01 4.36 0.00 -0.35 -1.41 105.19 110.27 3h0m n GLY 210 Ca -0.15 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.64 3h0m n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0m n ARG 211 N -0.54 0.82 -5.24 1.61 1.74 -1.26 -0.47 116.66 113.32 3h0m n ARG 211 Ca -0.08 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.64 3h0m n ARG 211 Cb 0.59 -1.14 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 3h0m n ARG 211 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h0m s ARG 212 N -2.34 2.14 0.47 5.56 0.52 -1.26 -4.45 118.95 119.60 3h0m s ARG 212 Ca -0.02 -0.91 0.14 0.00 -0.52 0.00 0.00 55.73 54.41 3h0m s ARG 212 Cb 0.03 -2.08 1.12 0.00 0.52 0.00 0.00 34.95 34.54 3h0m s ARG 212 CO 0.23 0.56 2.09 1.15 0.02 0.00 0.00 175.30 179.36 3h0m h THR 213 N 4.46 1.00 -0.29 0.02 2.02 -1.93 -1.22 112.91 116.97 3h0m h THR 213 Ca -0.44 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 3h0m h THR 213 Cb 1.12 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3h0m h THR 213 CO 0.47 0.04 -0.36 -0.33 0.37 0.00 0.00 175.52 175.71 3h0m h GLU 214 N 0.23 0.66 -0.02 6.66 5.08 -1.95 -0.51 114.58 124.72 3h0m h GLU 214 Ca 0.10 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3h0m h GLU 214 Cb 0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3h0m h GLU 214 CO -0.02 0.92 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.37 3h0m h ASP 215 N 0.55 -0.28 -0.42 1.42 5.19 -1.65 -1.74 116.42 119.48 3h0m h ASP 215 Ca 0.05 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3h0m h ASP 215 Cb 0.88 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 3h0m h ASP 215 CO 0.08 -0.14 0.16 0.58 -3.12 0.00 0.00 179.24 176.80 3h0m h VAL 216 N -0.16 1.20 -0.27 -1.35 2.07 -1.39 -2.30 116.25 114.06 3h0m h VAL 216 Ca 0.05 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3h0m h VAL 216 Cb 0.22 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3h0m h VAL 216 CO -0.12 0.23 0.04 0.00 0.02 0.00 0.00 177.57 177.74 3h0m h ALA 217 N 1.01 1.56 0.04 1.67 0.00 -0.93 -2.24 119.26 120.37 3h0m h ALA 217 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3h0m h ALA 217 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3h0m h ALA 217 CO -0.01 0.33 -0.46 1.25 0.00 0.00 0.00 179.25 180.35 3h0m h LEU 218 N 0.39 0.33 -0.82 0.00 5.85 -1.03 -2.13 115.31 117.90 3h0m h LEU 218 Ca 0.09 -0.86 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 3h0m h LEU 218 Cb 0.20 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3h0m h LEU 218 CO 0.00 1.16 0.50 0.58 -0.34 0.00 0.00 178.44 180.34 3h0m h VAL 219 N -0.45 1.23 -0.49 1.05 2.07 -1.35 -1.65 116.25 116.66 3h0m h VAL 219 Ca -0.07 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3h0m h VAL 219 Cb 1.27 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3h0m h VAL 219 CO 0.09 0.23 0.25 0.25 0.02 0.00 0.00 177.57 178.41 3h0m h LEU 220 N 1.12 0.62 -0.92 2.57 5.85 -1.47 -2.16 115.31 120.92 3h0m h LEU 220 Ca 0.29 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3h0m h LEU 220 Cb -0.06 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3h0m h LEU 220 CO -0.06 0.56 0.59 -0.08 -0.34 0.00 0.00 178.44 179.11 3h0m h GLU 221 N 0.64 1.09 -0.17 1.25 4.81 -0.82 -1.67 114.58 119.71 3h0m h GLU 221 Ca 0.17 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3h0m h GLU 221 Cb 0.09 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3h0m h GLU 221 CO -0.02 0.72 -0.02 0.28 -0.73 0.00 0.00 179.01 179.24 3h0m h VAL 222 N 1.12 1.27 0.00 0.32 2.07 -0.94 -3.19 116.25 116.90 3h0m h VAL 222 Ca 0.38 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3h0m h VAL 222 Cb 0.08 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3h0m h VAL 222 CO -0.14 0.28 -0.08 2.30 0.02 0.00 0.00 177.57 179.94 3h0m n ILE 223 N -4.70 0.34 -2.11 4.57 -5.35 -0.84 -4.84 119.36 106.43 3h0m n ILE 223 Ca -0.05 -0.17 -0.27 0.00 -0.27 0.00 0.00 62.75 61.99 3h0m n ILE 223 Cb 0.24 -0.47 0.08 0.00 -1.74 0.00 0.00 39.64 37.75 3h0m n ILE 223 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3h0m s SER 224 N -3.91 4.67 0.00 7.28 0.01 -0.64 -4.53 113.70 116.59 3h0m s SER 224 Ca 0.11 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.92 3h0m s SER 224 Cb 0.15 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.25 3h0m s SER 224 CO 0.59 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 173.13 3h0m n GLY 225 N -3.06 2.46 3.64 3.44 0.00 0.07 -4.98 105.19 106.76 3h0m n GLY 225 Ca 0.08 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.68 3h0m n GLY 225 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3h0m n TRP 226 N 0.78 1.83 -4.21 1.61 -0.00 -1.24 -4.43 117.44 111.77 3h0m n TRP 226 Ca 0.00 0.54 -0.25 0.00 -0.00 0.00 0.00 57.50 57.79 3h0m n TRP 226 Cb 0.00 -2.38 -0.17 0.00 -0.00 0.00 0.00 31.31 28.76 3h0m n TRP 226 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3h0m s ASP 227 N 0.05 1.94 0.52 5.87 2.15 -1.26 -5.02 116.67 120.92 3h0m s ASP 227 Ca 0.67 -0.29 0.34 0.00 0.43 0.00 0.00 52.55 53.70 3h0m s ASP 227 Cb -0.70 -0.82 1.54 0.00 -0.30 0.00 0.00 42.92 42.65 3h0m s ASP 227 CO 0.53 -0.05 2.01 1.05 -0.17 0.00 0.00 175.17 178.54 3h0m h GLU 228 N 7.60 0.00 -0.01 4.34 4.11 -1.97 -1.66 114.58 126.99 3h0m h GLU 228 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3h0m h GLU 228 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3h0m h GLU 228 CO 0.44 0.00 -0.02 1.63 0.07 0.00 0.00 179.01 181.13 3h0m n LYS 229 N -2.90 1.16 -3.83 1.06 5.02 -1.26 -4.69 118.16 112.72 3h0m n LYS 229 Ca -0.00 -0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 55.63 3h0m n LYS 229 Cb 0.22 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 3h0m n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h0m s ASP 230 N -2.10 2.90 0.45 4.39 2.15 -0.63 -4.81 116.67 119.03 3h0m s ASP 230 Ca 0.41 -0.75 0.24 0.00 0.43 0.00 0.00 52.55 52.88 3h0m s ASP 230 Cb 0.21 -0.79 1.05 0.00 -0.30 0.00 0.00 42.92 43.09 3h0m s ASP 230 CO 0.38 -0.24 1.90 0.28 -0.17 0.00 0.00 175.17 177.32 3h0m h SER 231 N 8.16 0.00 0.32 -0.34 0.02 -1.84 -2.92 113.55 116.95 3h0m h SER 231 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3h0m h SER 231 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3h0m h SER 231 CO 0.37 0.22 -0.48 0.35 -1.14 0.00 0.00 176.83 176.15 3h0m n THR 232 N -3.54 0.00 -2.50 -2.27 -2.24 -1.26 -4.88 114.28 97.59 3h0m n THR 232 Ca -0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3h0m n THR 232 Cb 0.38 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 3h0m n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h0m s SER 233 N -2.81 7.27 0.21 3.42 1.04 -1.10 -4.46 113.70 117.27 3h0m s SER 233 Ca 0.15 2.16 -0.25 0.00 0.48 0.00 0.00 55.95 58.49 3h0m s SER 233 Cb 0.18 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.60 3h0m s SER 233 CO 0.66 -0.19 0.81 0.00 0.98 0.00 0.00 173.24 175.50 3h0m s ALA 234 N -0.59 3.39 -1.41 5.32 0.00 -0.38 -4.78 121.76 123.31 3h0m s ALA 234 Ca 0.48 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3h0m s ALA 234 Cb -0.30 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3h0m s ALA 234 CO 0.37 0.27 2.27 1.63 0.00 0.00 0.00 175.76 180.30 3h0m n LYS 235 N 1.24 3.56 -4.58 0.00 5.02 -1.26 -3.73 118.16 118.41 3h0m n LYS 235 Ca -0.03 -2.99 -0.24 0.00 -2.02 0.00 0.00 58.31 53.03 3h0m n LYS 235 Cb 0.49 -2.97 -0.16 0.00 -0.02 0.00 0.00 35.03 32.37 3h0m n LYS 235 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h0m s VAL 236 N 1.32 1.10 0.47 -0.18 1.01 -1.26 -5.07 120.40 117.79 3h0m s VAL 236 Ca 0.50 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3h0m s VAL 236 Cb 0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 3h0m s VAL 236 CO -0.05 0.34 1.34 -2.16 0.00 0.00 0.00 175.10 174.57 3h0m s PRO 237 N 0.44 3.58 -0.16 2.72 0.04 -1.26 -4.56 135.00 135.79 3h0m s PRO 237 Ca -0.10 2.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 3h0m s PRO 237 Cb -0.13 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 3h0m s PRO 237 CO 0.03 -0.83 1.01 0.08 0.04 0.00 0.00 177.00 177.33 3h0m s VAL 238 N -1.29 4.74 0.56 -0.36 1.01 -1.26 -5.03 120.40 118.77 3h0m s VAL 238 Ca 0.64 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 64.44 3h0m s VAL 238 Cb -0.39 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 3h0m s VAL 238 CO 0.49 -0.07 1.19 -2.84 0.00 0.00 0.00 175.10 173.87 3h0m s PRO 239 N 2.52 3.20 -1.23 2.72 0.02 -1.26 -4.89 135.00 136.08 3h0m s PRO 239 Ca 0.46 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 63.07 3h0m s PRO 239 Cb -0.17 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3h0m s PRO 239 CO 0.13 -1.01 1.89 0.39 -0.33 0.00 0.00 177.00 178.07 3h0m n GLU 240 N -1.32 2.47 -0.00 5.54 1.02 -1.26 -4.78 120.64 122.31 3h0m n GLU 240 Ca 0.12 -2.77 -0.00 0.00 -0.02 0.00 0.00 57.16 54.49 3h0m n GLU 240 Cb 0.49 -3.47 0.30 0.00 -0.02 0.00 0.00 31.44 28.74 3h0m n GLU 240 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3h0m h TRP 241 N 8.00 0.55 -0.30 -0.32 6.55 -1.90 -2.37 115.95 126.16 3h0m h TRP 241 Ca 0.40 -0.05 -0.01 0.00 0.95 0.00 0.00 58.89 60.17 3h0m h TRP 241 Cb 0.83 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.96 3h0m h TRP 241 CO 1.35 0.53 0.13 0.66 -1.05 0.00 0.00 178.44 180.06 3h0m h SER 242 N 0.51 0.37 0.22 -3.49 4.64 -1.86 -0.59 113.55 113.34 3h0m h SER 242 Ca 0.11 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3h0m h SER 242 Cb 0.32 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3h0m h SER 242 CO 0.01 0.33 -0.20 -0.62 -0.87 0.00 0.00 176.83 175.48 3h0m n GLU 243 N -4.43 0.92 -0.04 4.77 -0.58 -0.93 -4.39 120.64 115.97 3h0m n GLU 243 Ca 0.01 -0.51 -0.03 0.00 -0.42 0.00 0.00 57.16 56.21 3h0m n GLU 243 Cb 0.12 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.41 3h0m n GLU 243 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h0m n GLU 244 N -0.59 1.80 -0.14 3.49 4.07 -0.33 -4.56 120.64 124.38 3h0m n GLU 244 Ca 0.13 -0.03 0.06 0.00 -0.06 0.00 0.00 57.16 57.27 3h0m n GLU 244 Cb 0.34 -1.28 0.37 0.00 -0.06 0.00 0.00 31.44 30.81 3h0m n GLU 244 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3h0m h VAL 245 N 0.00 1.04 0.00 6.31 -1.51 -1.50 -2.66 116.25 117.93 3h0m h VAL 245 Ca -0.23 -0.24 -0.06 0.00 -1.23 0.00 0.00 66.70 64.94 3h0m h VAL 245 Cb 1.40 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 3h0m h VAL 245 CO 0.01 0.13 -0.31 0.11 -1.23 0.00 0.00 177.57 176.28 3h0m h LYS 246 N 0.71 0.00 -7.31 5.19 1.57 -1.83 -3.40 116.57 111.50 3h0m h LYS 246 Ca 0.27 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.56 3h0m h LYS 246 Cb 0.19 0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.65 3h0m h LYS 246 CO -0.08 0.31 0.24 0.15 -0.57 0.00 0.00 179.45 179.49 3h0m s LYS 247 N -3.41 1.24 -0.07 3.15 1.02 -1.01 -5.07 119.74 115.60 3h0m s LYS 247 Ca 0.02 0.99 -0.00 0.00 0.02 0.00 0.00 55.97 57.00 3h0m s LYS 247 Cb 0.09 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 3h0m s LYS 247 CO 0.68 -2.30 -0.04 -2.00 -0.92 0.00 0.00 175.35 170.77 3h0m s GLU 248 N -4.85 0.93 -0.18 1.68 2.12 -1.26 -4.92 118.70 112.21 3h0m s GLU 248 Ca 0.64 -0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.84 3h0m s GLU 248 Cb -0.19 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.10 3h0m s GLU 248 CO 0.58 -0.20 0.02 0.08 -0.54 0.00 0.00 175.26 175.20 3h0m s VAL 249 N 1.46 4.35 0.31 3.70 1.01 -1.26 -5.09 120.40 124.89 3h0m s VAL 249 Ca -0.02 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 3h0m s VAL 249 Cb -0.13 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3h0m s VAL 249 CO -0.03 0.46 0.99 -0.54 0.00 0.00 0.00 175.10 175.97 3h0m s LYS 250 N 0.55 4.57 -0.83 2.72 1.02 -1.26 -4.25 119.74 122.27 3h0m s LYS 250 Ca 0.01 1.48 -0.02 0.00 0.02 0.00 0.00 55.97 57.46 3h0m s LYS 250 Cb -0.13 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 3h0m s LYS 250 CO 0.02 0.23 0.31 0.41 -0.92 0.00 0.00 175.35 175.40 3h0m n GLY 251 N 0.83 0.04 3.78 -3.33 0.00 -1.26 -5.01 105.19 100.23 3h0m n GLY 251 Ca 0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3h0m n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 252 N -3.73 3.14 0.00 0.99 1.43 -1.26 -4.88 118.68 114.37 3h0m s LEU 252 Ca 0.15 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3h0m s LEU 252 Cb -0.07 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3h0m s LEU 252 CO 0.19 -1.85 -0.16 -0.54 0.23 0.00 0.00 176.35 174.23 3h0m s LYS 253 N -4.72 1.21 -0.10 1.70 1.02 -1.26 -2.37 119.74 115.22 3h0m s LYS 253 Ca 0.62 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.04 3h0m s LYS 253 Cb -0.17 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 3h0m s LYS 253 CO 0.52 0.32 -0.23 0.42 -0.92 0.00 0.00 175.35 175.46 3h0m s ILE 254 N -0.47 1.98 -0.15 2.17 1.01 -0.17 -1.31 121.20 124.27 3h0m s ILE 254 Ca 0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3h0m s ILE 254 Cb -0.06 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3h0m s ILE 254 CO -0.00 0.54 0.18 -0.83 0.00 0.00 0.00 174.94 174.83 3h0m s GLY 255 N 0.41 2.15 -0.40 6.18 0.00 -0.53 -0.68 107.32 114.45 3h0m s GLY 255 Ca -0.18 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 3h0m s GLY 255 CO 0.08 -0.01 0.19 1.08 0.00 0.00 0.00 173.10 174.43 3h0m s LEU 256 N -0.27 5.11 -0.18 0.66 1.43 0.40 -1.68 118.68 124.17 3h0m s LEU 256 Ca 0.13 -1.91 -0.36 0.00 -1.03 0.00 0.00 54.13 50.96 3h0m s LEU 256 Cb -0.12 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.14 3h0m s LEU 256 CO 0.02 -0.52 1.87 -2.65 0.23 0.00 0.00 176.35 175.31 3h0m n PRO 257 N 4.63 1.75 -0.01 1.29 -0.02 -1.26 -1.87 135.00 139.50 3h0m n PRO 257 Ca -0.04 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.23 3h0m n PRO 257 Cb 0.42 -2.46 0.61 0.00 -0.02 0.00 0.00 33.50 32.04 3h0m n PRO 257 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3h0m h LYS 258 N 8.90 0.17 0.00 -0.52 1.57 -0.93 -1.10 116.57 124.65 3h0m h LYS 258 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3h0m h LYS 258 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3h0m h LYS 258 CO 0.96 0.11 0.00 0.93 -0.57 0.00 0.00 179.45 180.88 3h0m h GLU 259 N 0.17 0.00 0.00 3.15 3.07 -1.88 -2.74 114.58 116.34 3h0m h GLU 259 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3h0m h GLU 259 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3h0m h GLU 259 CO -0.04 0.00 0.00 0.74 -1.40 0.00 0.00 179.01 178.31 3h0m h PHE 260 N 0.00 0.00 -0.04 4.33 0.04 -1.57 -3.12 116.94 116.59 3h0m h PHE 260 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h0m h PHE 260 Cb 0.76 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 3h0m h PHE 260 CO 0.00 0.00 -0.02 0.74 -0.60 0.00 0.00 178.31 178.43 3h0m h PHE 261 N 0.00 0.05 -0.00 -0.55 0.04 -1.57 -1.91 116.94 113.00 3h0m h PHE 261 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h0m h PHE 261 Cb 0.75 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.89 3h0m h PHE 261 CO 0.00 0.08 -0.02 0.39 -0.60 0.00 0.00 178.31 178.16 3h0m n GLU 262 N -4.48 0.79 -2.86 1.51 -0.58 -1.18 -4.80 120.64 109.03 3h0m n GLU 262 Ca -0.02 -0.08 -0.41 0.00 -0.42 0.00 0.00 57.16 56.22 3h0m n GLU 262 Cb 0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 3h0m n GLU 262 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3h0m s TYR 263 N -2.27 3.52 -0.19 -0.32 1.51 -0.72 -4.99 117.35 113.89 3h0m s TYR 263 Ca 0.38 1.39 -0.28 0.00 -1.01 0.00 0.00 57.07 57.55 3h0m s TYR 263 Cb 0.21 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3h0m s TYR 263 CO 0.42 -0.11 2.20 -1.21 -1.11 0.00 0.00 175.55 175.74 3h0m s GLU 264 N 1.55 3.23 0.01 -0.62 2.02 -1.26 -4.99 118.70 118.63 3h0m s GLU 264 Ca 0.42 2.10 0.02 0.00 0.02 0.00 0.00 54.97 57.53 3h0m s GLU 264 Cb -0.18 -4.36 -0.04 0.00 0.10 0.00 0.00 34.13 29.66 3h0m s GLU 264 CO 0.18 -1.99 -0.03 -0.51 0.02 0.00 0.00 175.26 172.92 3h0m s LEU 265 N 7.94 3.36 0.23 1.80 1.43 -1.26 -4.83 118.68 127.35 3h0m s LEU 265 Ca 1.00 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 3h0m s LEU 265 Cb -0.34 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 3h0m s LEU 265 CO 0.36 0.28 1.41 -1.10 0.23 0.00 0.00 176.35 177.52 3h0m s GLN 266 N -1.53 4.30 0.32 1.70 -0.21 0.04 -4.87 119.66 119.41 3h0m s GLN 266 Ca 0.19 2.24 0.10 0.00 0.02 0.00 0.00 55.36 57.90 3h0m s GLN 266 Cb -0.11 -3.13 0.91 0.00 1.00 0.00 0.00 33.01 31.68 3h0m s GLN 266 CO 0.09 -0.38 1.70 -1.35 -2.12 0.00 0.00 175.29 173.24 3h0m h PRO 267 N 5.17 0.45 -0.73 2.91 0.11 -1.99 0.14 132.00 138.07 3h0m h PRO 267 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3h0m h PRO 267 Cb 1.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3h0m h PRO 267 CO 0.78 0.30 0.48 1.96 -0.21 0.00 0.00 178.00 181.31 3h0m h GLN 268 N 0.47 0.97 -0.11 1.05 7.50 -1.97 -0.38 115.11 122.63 3h0m h GLN 268 Ca 0.65 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.72 3h0m h GLN 268 Cb 1.33 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 28.64 3h0m h GLN 268 CO -0.53 0.64 -0.04 0.28 -1.50 0.00 0.00 178.83 177.69 3h0m h VAL 269 N 0.99 1.30 -0.17 -0.54 2.07 -1.13 -1.27 116.25 117.50 3h0m h VAL 269 Ca 0.27 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3h0m h VAL 269 Cb -0.11 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3h0m h VAL 269 CO -0.06 0.29 -0.27 0.50 0.02 0.00 0.00 177.57 178.05 3h0m h LYS 270 N -0.11 -0.31 -0.23 1.57 3.64 -0.98 0.15 116.57 120.30 3h0m h LYS 270 Ca 0.03 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3h0m h LYS 270 Cb 0.47 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3h0m h LYS 270 CO 0.01 -0.21 -0.06 0.93 -2.27 0.00 0.00 179.45 177.85 3h0m h GLU 271 N -0.32 -0.01 -0.83 1.90 5.08 -1.07 0.65 114.58 119.98 3h0m h GLU 271 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3h0m h GLU 271 Cb 0.49 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3h0m h GLU 271 CO -0.35 -0.01 0.53 0.00 -1.00 0.00 0.00 179.01 178.17 3h0m h ALA 272 N 1.21 1.11 -0.05 3.43 0.00 -0.88 -2.06 119.26 122.02 3h0m h ALA 272 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3h0m h ALA 272 Cb 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h0m h ALA 272 CO -0.24 0.32 -0.08 0.35 0.00 0.00 0.00 179.25 179.60 3h0m h PHE 273 N 1.00 0.18 -0.88 0.00 3.57 -0.32 -1.82 116.94 118.67 3h0m h PHE 273 Ca 0.34 -0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.95 3h0m h PHE 273 Cb 0.06 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 3h0m h PHE 273 CO -0.03 0.66 0.46 0.93 -2.23 0.00 0.00 178.31 178.09 3h0m h GLU 274 N -0.35 0.58 -0.45 1.11 5.08 -0.81 -0.94 114.58 118.79 3h0m h GLU 274 Ca 0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3h0m h GLU 274 Cb 0.64 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3h0m h GLU 274 CO 0.02 0.39 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.20 3h0m h ASN 275 N 0.60 0.99 -0.52 1.42 -0.73 -1.35 -0.92 115.58 115.08 3h0m h ASN 275 Ca 0.50 -0.41 0.05 0.00 1.87 0.00 0.00 56.30 58.31 3h0m h ASN 275 Cb 0.77 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 39.04 3h0m h ASN 275 CO -0.40 1.19 0.26 0.15 -0.37 0.00 0.00 177.43 178.25 3h0m h PHE 276 N 0.80 0.47 -0.12 0.67 3.57 -0.42 -1.07 116.94 120.83 3h0m h PHE 276 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3h0m h PHE 276 Cb 0.82 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 3h0m h PHE 276 CO 0.06 0.22 -0.10 0.82 -2.23 0.00 0.00 178.31 177.08 3h0m h ILE 277 N 0.49 1.34 -0.59 1.41 1.08 -1.06 -1.60 117.51 118.58 3h0m h ILE 277 Ca 0.23 -1.21 0.09 0.00 -0.39 0.00 0.00 64.86 63.59 3h0m h ILE 277 Cb 0.16 1.87 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 3h0m h ILE 277 CO -0.17 0.35 0.21 0.11 -0.69 0.00 0.00 178.15 177.95 3h0m h LYS 278 N -0.09 0.37 -0.16 2.37 1.57 -1.07 0.49 116.57 120.05 3h0m h LYS 278 Ca 0.02 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3h0m h LYS 278 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3h0m h LYS 278 CO 0.03 0.25 -0.41 1.49 -0.57 0.00 0.00 179.45 180.23 3h0m h GLU 279 N 0.38 0.36 -0.32 3.15 4.57 -1.16 -0.38 114.58 121.18 3h0m h GLU 279 Ca 0.30 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 3h0m h GLU 279 Cb 0.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3h0m h GLU 279 CO -0.31 0.71 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.94 3h0m h LEU 280 N 0.30 0.75 -0.43 1.64 3.38 -0.55 -2.82 115.31 117.57 3h0m h LEU 280 Ca 0.03 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.64 3h0m h LEU 280 Cb 0.85 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3h0m h LEU 280 CO 0.07 1.02 -0.04 -0.08 0.09 0.00 0.00 178.44 179.50 3h0m h GLU 281 N 0.48 0.06 -0.68 1.13 4.81 0.44 -1.80 114.58 119.02 3h0m h GLU 281 Ca 0.06 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 3h0m h GLU 281 Cb 0.77 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3h0m h GLU 281 CO 0.06 0.04 0.46 0.87 -0.73 0.00 0.00 179.01 179.71 3h0m h LYS 282 N 0.06 0.35 -0.00 1.92 1.57 -0.98 0.02 116.57 119.51 3h0m h LYS 282 Ca 0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h0m h LYS 282 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3h0m h LYS 282 CO -0.39 0.23 -0.05 0.39 -0.57 0.00 0.00 179.45 179.06 3h0m n GLU 283 N -4.46 0.61 0.00 3.15 -0.58 -0.70 -4.90 120.64 113.75 3h0m n GLU 283 Ca 0.12 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3h0m n GLU 283 Cb 0.49 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3h0m n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h0m n GLY 284 N 1.26 1.22 3.72 0.62 0.00 -0.01 -5.08 105.19 106.92 3h0m n GLY 284 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3h0m n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 285 N -2.00 3.60 0.04 1.61 0.40 -1.08 -4.64 117.98 115.92 3h0m s PHE 285 Ca 0.00 1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 57.61 3h0m s PHE 285 Cb 0.00 -3.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 3h0m s PHE 285 CO 0.00 -0.55 0.93 -2.00 0.70 0.00 0.00 175.22 174.30 3h0m s GLU 286 N 0.32 4.60 -0.23 0.44 2.12 -1.00 -4.33 118.70 120.62 3h0m s GLU 286 Ca 0.52 1.36 -0.04 0.00 0.36 0.00 0.00 54.97 57.17 3h0m s GLU 286 Cb -0.27 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.70 3h0m s GLU 286 CO 0.31 0.10 -0.03 0.42 -0.54 0.00 0.00 175.26 175.52 3h0m s ILE 287 N 0.48 3.41 0.01 -3.70 -1.09 -1.26 -1.00 121.20 118.05 3h0m s ILE 287 Ca 0.48 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 3h0m s ILE 287 Cb -0.22 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 3h0m s ILE 287 CO 0.28 0.36 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.65 3h0m s LYS 288 N 1.47 1.17 0.09 2.79 1.02 0.15 -4.98 119.74 121.45 3h0m s LYS 288 Ca 0.05 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 3h0m s LYS 288 Cb -0.15 -1.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.94 3h0m s LYS 288 CO -0.03 0.31 1.09 -1.21 -0.92 0.00 0.00 175.35 174.60 3h0m s GLU 289 N -0.71 4.54 0.33 1.68 2.02 -1.26 -0.45 118.70 124.85 3h0m s GLU 289 Ca 0.05 1.65 0.09 0.00 0.02 0.00 0.00 54.97 56.78 3h0m s GLU 289 Cb -0.07 -3.35 -0.06 0.00 0.10 0.00 0.00 34.13 30.75 3h0m s GLU 289 CO 0.00 -0.05 -0.10 0.14 0.02 0.00 0.00 175.26 175.28 3h0m s VAL 290 N 0.48 2.17 -0.08 2.63 -7.23 -0.78 -4.80 120.40 112.79 3h0m s VAL 290 Ca 0.53 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3h0m s VAL 290 Cb -0.27 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 3h0m s VAL 290 CO 0.31 -0.23 -0.04 -0.44 -0.31 0.00 0.00 175.10 174.39 3h0m s SER 291 N -3.58 4.87 -0.48 4.85 0.01 -1.26 -0.17 113.70 117.95 3h0m s SER 291 Ca 0.32 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.66 3h0m s SER 291 Cb 0.02 -1.31 0.17 0.00 0.21 0.00 0.00 66.02 65.11 3h0m s SER 291 CO 0.16 0.36 0.39 0.18 0.41 0.00 0.00 173.24 174.73 3h0m n LEU 292 N 2.26 0.35 0.27 2.44 4.77 -1.26 -4.67 117.00 121.16 3h0m n LEU 292 Ca -0.18 -4.58 0.15 0.00 -0.03 0.00 0.00 56.01 51.37 3h0m n LEU 292 Cb 0.53 0.25 0.82 0.00 -2.33 0.00 0.00 43.42 42.70 3h0m n LEU 292 CO 0.28 1.85 1.02 1.55 -1.33 0.00 0.00 177.39 180.76 3h0m h PRO 293 N 5.49 0.00 0.00 3.23 0.13 -1.96 -2.54 132.00 136.34 3h0m h PRO 293 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3h0m h PRO 293 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3h0m h PRO 293 CO 0.46 0.00 -1.27 0.72 -0.23 0.00 0.00 178.00 177.67 3h0m n HIS 294 N -2.66 0.00 -0.37 1.56 8.25 -1.26 -4.67 115.22 116.07 3h0m n HIS 294 Ca -0.02 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.73 3h0m n HIS 294 Cb 0.18 -0.20 0.56 0.00 1.12 0.00 0.00 29.99 31.66 3h0m n HIS 294 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3h0m h VAL 295 N 0.00 0.32 -0.03 1.59 -1.51 -1.81 0.18 116.25 114.99 3h0m h VAL 295 Ca 0.00 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.39 3h0m h VAL 295 Cb 0.56 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.76 3h0m h VAL 295 CO 0.00 0.05 0.06 0.07 -1.23 0.00 0.00 177.57 176.52 3h0m h LYS 296 N 0.25 0.00 -0.00 5.19 2.10 -1.83 0.31 116.57 122.60 3h0m h LYS 296 Ca 0.71 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.36 3h0m h LYS 296 Cb 1.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 3h0m h LYS 296 CO -0.40 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 177.68 3h0m n TYR 297 N -3.37 0.00 -0.21 0.07 4.01 0.64 -4.28 117.16 114.02 3h0m n TYR 297 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3h0m n TYR 297 Cb 0.14 -0.27 0.12 0.00 -0.31 0.00 0.00 39.34 39.03 3h0m n TYR 297 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h0m h SER 298 N 0.09 0.08 0.22 7.72 0.02 -0.51 -2.20 113.55 118.97 3h0m h SER 298 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3h0m h SER 298 Cb 0.30 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3h0m h SER 298 CO 0.00 0.04 -0.10 0.40 -1.14 0.00 0.00 176.83 176.03 3h0m h ILE 299 N 0.31 0.82 -0.39 3.27 1.08 -1.80 0.84 117.51 121.65 3h0m h ILE 299 Ca 0.33 -0.20 -0.08 0.00 -0.39 0.00 0.00 64.86 64.52 3h0m h ILE 299 Cb 0.49 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3h0m h ILE 299 CO -0.39 0.05 -0.10 -0.65 -0.69 0.00 0.00 178.15 176.36 3h0m h PRO 300 N -0.39 0.68 -0.28 2.37 0.11 -1.83 -0.25 132.00 132.42 3h0m h PRO 300 Ca -0.03 -0.21 0.02 0.00 0.11 0.00 0.00 66.00 65.89 3h0m h PRO 300 Cb 0.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3h0m h PRO 300 CO 0.05 0.77 0.14 1.15 -0.21 0.00 0.00 178.00 179.90 3h0m h THR 301 N 0.62 1.00 -0.61 -1.15 2.02 -1.28 -2.83 112.91 110.68 3h0m h THR 301 Ca 0.11 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 3h0m h THR 301 Cb 0.54 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3h0m h THR 301 CO 0.03 0.05 0.02 0.22 0.37 0.00 0.00 175.52 176.22 3h0m h TYR 302 N 0.30 1.15 -0.19 3.16 3.20 -0.20 -1.71 116.97 122.67 3h0m h TYR 302 Ca 0.11 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3h0m h TYR 302 Cb 0.03 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3h0m h TYR 302 CO -0.09 1.00 0.00 0.66 -1.64 0.00 0.00 178.16 178.09 3h0m n TYR 303 N -4.18 0.51 -0.03 -3.82 4.01 -0.16 -1.19 117.16 112.30 3h0m n TYR 303 Ca 0.03 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.50 3h0m n TYR 303 Cb 0.34 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3h0m n TYR 303 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3h0m n ILE 304 N 0.18 1.03 0.26 -0.72 5.41 -0.99 -4.67 119.36 119.86 3h0m n ILE 304 Ca 0.08 0.09 -0.16 0.00 1.00 0.00 0.00 62.75 63.76 3h0m n ILE 304 Cb 0.41 -1.80 -0.08 0.00 -0.71 0.00 0.00 39.64 37.46 3h0m n ILE 304 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h0m h ILE 305 N -0.42 0.22 0.17 1.39 2.04 -1.18 -2.52 117.51 117.21 3h0m h ILE 305 Ca -0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3h0m h ILE 305 Cb 0.80 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3h0m h ILE 305 CO -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 177.68 3h0m h ALA 306 N -0.43 -0.71 -0.60 1.87 0.00 -1.41 -1.39 119.26 116.58 3h0m h ALA 306 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.91 3h0m h ALA 306 Cb 0.71 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3h0m h ALA 306 CO -0.04 -0.96 0.41 -1.35 0.00 0.00 0.00 179.25 177.31 3h0m h PRO 307 N -0.66 0.32 0.68 0.00 0.11 -1.76 0.26 132.00 130.96 3h0m h PRO 307 Ca 0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3h0m h PRO 307 Cb 0.66 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.71 3h0m h PRO 307 CO -0.19 0.21 -0.33 0.77 -0.21 0.00 0.00 178.00 178.25 3h0m h SER 308 N 0.33 -0.77 -0.56 -2.05 0.02 -0.88 -1.21 113.55 108.42 3h0m h SER 308 Ca 0.28 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 3h0m h SER 308 Cb 0.67 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 3h0m h SER 308 CO -0.07 -0.46 0.37 -0.33 -1.14 0.00 0.00 176.83 175.20 3h0m h GLU 309 N -1.10 0.52 -0.73 3.45 5.08 -1.12 -1.57 114.58 119.10 3h0m h GLU 309 Ca -0.09 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3h0m h GLU 309 Cb 0.70 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3h0m h GLU 309 CO 0.15 0.34 0.20 0.00 -1.00 0.00 0.00 179.01 178.70 3h0m h ALA 310 N 1.69 0.96 -0.04 3.43 0.00 -0.68 0.77 119.26 125.40 3h0m h ALA 310 Ca 0.24 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3h0m h ALA 310 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h0m h ALA 310 CO -0.07 0.67 -0.27 0.66 0.00 0.00 0.00 179.25 180.25 3h0m h SER 311 N 1.10 0.06 0.00 0.00 4.64 -0.19 -1.69 113.55 117.47 3h0m h SER 311 Ca 0.23 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3h0m h SER 311 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3h0m h SER 311 CO -0.00 0.33 -0.00 -1.28 -0.87 0.00 0.00 176.83 175.01 3h0m h SER 312 N 0.06 -0.00 0.53 4.97 0.87 -1.19 -3.13 113.55 115.65 3h0m h SER 312 Ca 0.01 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 3h0m h SER 312 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3h0m h SER 312 CO 0.04 0.72 0.00 0.78 -0.53 0.00 0.00 176.83 177.84 3h0m h ASN 313 N -0.74 0.00 -0.49 6.23 2.35 -0.70 -2.44 115.58 119.79 3h0m h ASN 313 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h0m h ASN 313 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3h0m h ASN 313 CO 0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 3h0m n LEU 314 N -2.48 3.32 0.26 1.61 4.32 -0.65 -4.38 117.00 119.00 3h0m n LEU 314 Ca 0.00 -1.94 0.13 0.00 -0.02 0.00 0.00 56.01 54.19 3h0m n LEU 314 Cb 0.18 -0.33 0.71 0.00 -1.62 0.00 0.00 43.42 42.37 3h0m n LEU 314 CO 0.19 0.82 0.96 0.00 -1.22 0.00 0.00 177.39 178.14 3h0m h ALA 315 N 3.04 1.20 0.00 -1.18 0.00 -1.38 -3.13 119.26 117.81 3h0m h ALA 315 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h0m h ALA 315 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h0m h ALA 315 CO 0.00 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.29 3h0m n ARG 316 N -3.53 0.18 -2.90 0.00 1.85 -1.26 -4.59 116.66 106.41 3h0m n ARG 316 Ca -0.01 0.18 -0.43 0.00 -1.00 0.00 0.00 57.85 56.58 3h0m n ARG 316 Cb 0.26 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 3h0m n ARG 316 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3h0m s TYR 317 N -3.09 2.74 0.00 2.89 2.02 -1.18 -4.69 117.35 116.03 3h0m s TYR 317 Ca 0.11 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3h0m s TYR 317 Cb 0.14 -4.20 0.00 0.00 -0.40 0.00 0.00 41.96 37.50 3h0m s TYR 317 CO 0.55 -1.55 0.00 -0.40 -1.57 0.00 0.00 175.55 172.58 3h0m n ASP 318 N 7.46 0.00 0.00 2.29 5.68 -1.26 -4.80 116.55 125.91 3h0m n ASP 318 Ca -0.04 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 3h0m n ASP 318 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3h0m n ASP 318 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0m n GLY 319 N 0.00 0.59 0.08 6.12 0.00 -1.25 -4.59 105.19 106.14 3h0m n GLY 319 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3h0m n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h0m n VAL 320 N -2.80 1.46 0.01 1.61 0.31 -1.26 -4.76 118.33 112.91 3h0m n VAL 320 Ca 0.00 0.15 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 3h0m n VAL 320 Cb 0.00 -2.34 -0.13 0.00 -0.91 0.00 0.00 33.84 30.47 3h0m n VAL 320 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h0m n ARG 321 N -4.53 0.65 -3.77 5.55 1.74 -1.26 -5.04 116.66 110.00 3h0m n ARG 321 Ca -0.13 -0.10 -0.03 0.00 -0.77 0.00 0.00 57.85 56.82 3h0m n ARG 321 Cb 0.41 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3h0m n ARG 321 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3h0m s TYR 322 N -3.42 -0.07 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.00 3h0m s TYR 322 Ca -0.06 -0.24 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 3h0m s TYR 322 Cb 0.12 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.63 3h0m s TYR 322 CO 0.88 -0.80 0.00 0.41 -2.51 0.00 0.00 175.55 173.53 3h0m n GLY 323 N -0.52 -0.09 3.77 5.49 0.00 -1.26 -4.29 105.19 108.28 3h0m n GLY 323 Ca -0.06 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 3h0m n GLY 323 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h0m s TYR 324 N 0.00 2.83 -0.02 1.61 5.04 -0.63 -4.89 117.35 121.29 3h0m s TYR 324 Ca 0.00 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3h0m s TYR 324 Cb 0.00 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.67 3h0m s TYR 324 CO 0.00 -2.08 0.02 0.50 -1.34 0.00 0.00 175.55 172.65 3h0m s ARG 325 N -2.23 0.08 0.64 4.97 3.52 -1.26 -3.94 118.95 120.72 3h0m s ARG 325 Ca 0.57 0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 56.13 3h0m s ARG 325 Cb -0.38 -0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 3h0m s ARG 325 CO 0.49 -0.15 0.83 0.00 -0.81 0.00 0.00 175.30 175.66 3h0m n ALA 326 N 4.12 -0.34 0.11 6.12 0.00 -1.26 -4.94 120.51 124.32 3h0m n ALA 326 Ca -0.27 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 3h0m n ALA 326 Cb 0.50 -2.03 -0.15 0.00 0.00 0.00 0.00 19.45 17.78 3h0m n ALA 326 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h0m h LYS 327 N 0.17 0.37 -5.12 0.00 1.57 -1.98 -3.45 116.57 108.13 3h0m h LYS 327 Ca -0.47 -0.64 -0.65 0.00 -1.87 0.00 0.00 60.65 57.02 3h0m h LYS 327 Cb 1.36 0.24 -0.25 0.00 0.08 0.00 0.00 32.23 33.66 3h0m h LYS 327 CO 0.48 1.29 -0.70 -1.21 -0.57 0.00 0.00 179.45 178.74 3h0m s GLU 328 N -2.62 3.49 -0.25 3.15 2.02 -1.26 -5.09 118.70 118.14 3h0m s GLU 328 Ca -0.07 -0.59 -0.26 0.00 0.02 0.00 0.00 54.97 54.07 3h0m s GLU 328 Cb 0.06 -2.96 0.09 0.00 0.10 0.00 0.00 34.13 31.41 3h0m s GLU 328 CO 0.90 -0.02 0.81 1.52 0.02 0.00 0.00 175.26 178.50 3h0m s TYR 329 N 1.03 -0.67 -0.33 1.61 1.13 -1.26 -4.86 117.35 114.00 3h0m s TYR 329 Ca 0.01 1.58 0.22 0.00 -1.41 0.00 0.00 57.07 57.47 3h0m s TYR 329 Cb -0.15 0.32 -0.15 0.00 -1.10 0.00 0.00 41.96 40.88 3h0m s TYR 329 CO 0.00 -0.36 0.79 1.63 -2.51 0.00 0.00 175.55 175.10 3h0m n LYS 330 N 2.29 0.48 -3.94 -3.49 5.02 -1.26 -4.93 118.16 112.33 3h0m n LYS 330 Ca -0.14 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.01 3h0m n LYS 330 Cb 0.56 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 3h0m n LYS 330 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3h0m s ASP 331 N -4.38 -0.16 0.44 4.39 1.47 -1.26 -5.04 116.67 112.14 3h0m s ASP 331 Ca -0.02 -0.80 0.12 0.00 1.18 0.00 0.00 52.55 53.03 3h0m s ASP 331 Cb 0.13 0.64 1.01 0.00 -0.34 0.00 0.00 42.92 44.36 3h0m s ASP 331 CO 0.85 -1.21 2.04 -0.29 0.68 0.00 0.00 175.17 177.24 3h0m h ILE 332 N 2.16 0.99 0.10 2.11 6.09 -1.98 0.11 117.51 127.09 3h0m h ILE 332 Ca -0.24 -0.14 -0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3h0m h ILE 332 Cb 1.25 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.10 3h0m h ILE 332 CO 0.31 0.07 -0.05 0.15 -3.07 0.00 0.00 178.15 175.57 3h0m h PHE 333 N 0.40 -0.13 -0.89 2.19 3.57 -1.99 -0.45 116.94 119.64 3h0m h PHE 333 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3h0m h PHE 333 Cb 0.24 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3h0m h PHE 333 CO -0.00 0.02 0.48 0.93 -2.23 0.00 0.00 178.31 177.50 3h0m h GLU 334 N -0.24 1.25 -0.33 1.11 5.08 -1.84 -0.02 114.58 119.58 3h0m h GLU 334 Ca -0.01 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3h0m h GLU 334 Cb 0.20 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3h0m h GLU 334 CO 0.02 0.92 -0.01 1.98 -1.00 0.00 0.00 179.01 180.93 3h0m h MET 335 N 1.25 0.08 0.84 2.33 4.05 -0.63 0.19 114.93 123.05 3h0m h MET 335 Ca 0.31 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.69 3h0m h MET 335 Cb 0.04 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3h0m h MET 335 CO -0.05 0.05 -0.47 1.88 0.23 0.00 0.00 176.91 178.56 3h0m h TYR 336 N 0.08 -1.23 0.00 1.39 0.05 -0.58 -1.63 116.97 115.06 3h0m h TYR 336 Ca 0.16 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 3h0m h TYR 336 Cb 0.22 0.42 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 3h0m h TYR 336 CO -0.24 -0.72 -0.36 0.00 -1.05 0.00 0.00 178.16 175.78 3h0m h ALA 337 N -1.12 1.32 0.11 3.88 0.00 -0.80 -2.38 119.26 120.28 3h0m h ALA 337 Ca -0.11 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 3h0m h ALA 337 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h0m h ALA 337 CO 0.15 0.46 -1.16 0.00 0.00 0.00 0.00 179.25 178.69 3h0m h ARG 338 N 0.00 0.24 -0.88 0.00 3.08 -0.99 -2.21 114.38 113.62 3h0m h ARG 338 Ca -0.00 -0.41 0.19 0.00 0.07 0.00 0.00 59.98 59.82 3h0m h ARG 338 Cb 0.68 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.77 3h0m h ARG 338 CO 0.05 1.20 0.42 1.15 -1.07 0.00 0.00 179.97 181.72 3h0m h THR 339 N -0.39 0.60 0.07 2.04 2.02 -1.21 -1.04 112.91 115.01 3h0m h THR 339 Ca -0.24 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 3h0m h THR 339 Cb 1.67 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3h0m h THR 339 CO 0.07 0.09 -0.53 0.03 0.37 0.00 0.00 175.52 175.56 3h0m h ARG 340 N 0.51 0.23 -0.49 6.66 3.08 -1.49 0.34 114.38 123.23 3h0m h ARG 340 Ca 0.52 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3h0m h ARG 340 Cb 0.87 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3h0m h ARG 340 CO -0.45 1.13 0.30 0.22 -1.07 0.00 0.00 179.97 180.10 3h0m h ASP 341 N -0.49 0.57 0.87 7.04 3.58 -1.26 -1.34 116.42 125.39 3h0m h ASP 341 Ca -0.09 -0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 3h0m h ASP 341 Cb 1.37 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 3h0m h ASP 341 CO 0.10 0.43 -1.22 -0.33 -2.88 0.00 0.00 179.24 175.35 3h0m h GLU 342 N 0.67 0.00 0.00 0.28 5.08 -1.18 -3.37 114.58 116.06 3h0m h GLU 342 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 3h0m h GLU 342 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3h0m h GLU 342 CO -0.04 0.65 -1.45 0.41 -1.00 0.00 0.00 179.01 177.59 3h0m n GLY 343 N 1.40 -1.21 3.77 -3.84 0.00 0.11 -4.87 105.19 100.56 3h0m n GLY 343 Ca -0.07 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3h0m n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 344 N -3.00 3.61 1.15 1.61 0.08 -0.52 -1.92 117.98 118.99 3h0m s PHE 344 Ca -0.03 0.93 -0.17 0.00 0.12 0.00 0.00 56.93 57.77 3h0m s PHE 344 Cb 0.09 -2.42 0.26 0.00 -0.57 0.00 0.00 43.02 40.38 3h0m s PHE 344 CO 0.82 0.39 1.10 0.20 -0.10 0.00 0.00 175.22 177.62 3h0m s GLY 345 N -0.16 1.57 0.14 4.36 0.00 -1.26 -4.81 107.32 107.16 3h0m s GLY 345 Ca 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3h0m s GLY 345 CO 0.11 0.05 1.32 -0.56 0.00 0.00 0.00 173.10 174.02 3h0m h PRO 346 N -2.43 0.23 -0.35 2.90 0.14 -1.97 -0.61 132.00 129.91 3h0m h PRO 346 Ca -0.48 -0.28 -0.08 0.00 0.14 0.00 0.00 66.00 65.29 3h0m h PRO 346 Cb 1.31 0.09 -0.01 0.00 0.14 0.00 0.00 31.00 32.53 3h0m h PRO 346 CO 0.41 1.03 -0.11 1.49 0.14 0.00 0.00 178.00 180.96 3h0m h GLU 347 N 0.12 0.70 -0.27 0.86 4.57 -1.94 -1.07 114.58 117.54 3h0m h GLU 347 Ca -0.06 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3h0m h GLU 347 Cb 1.61 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.15 3h0m h GLU 347 CO 0.15 0.87 0.14 0.28 -1.18 0.00 0.00 179.01 179.27 3h0m h VAL 348 N 0.49 1.01 -0.96 0.32 2.07 -1.85 -2.09 116.25 115.25 3h0m h VAL 348 Ca 0.09 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3h0m h VAL 348 Cb 0.62 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3h0m h VAL 348 CO 0.04 0.06 0.63 0.11 0.02 0.00 0.00 177.57 178.43 3h0m h LYS 349 N 0.30 1.22 -0.83 1.57 1.57 -0.87 -1.50 116.57 118.03 3h0m h LYS 349 Ca 0.11 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3h0m h LYS 349 Cb 0.01 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.00 3h0m h LYS 349 CO -0.06 0.81 0.54 0.00 -0.57 0.00 0.00 179.45 180.17 3h0m h ARG 350 N 1.25 1.05 0.00 3.15 3.08 -0.69 -1.52 114.38 120.70 3h0m h ARG 350 Ca 0.37 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.19 3h0m h ARG 350 Cb -0.07 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 3h0m h ARG 350 CO -0.10 0.69 -0.78 0.00 -1.07 0.00 0.00 179.97 178.72 3h0m h ARG 351 N 1.08 0.00 -0.12 0.04 3.08 -1.00 -2.16 114.38 115.30 3h0m h ARG 351 Ca 0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 3h0m h ARG 351 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3h0m h ARG 351 CO -0.09 0.78 0.06 0.82 -1.07 0.00 0.00 179.97 180.46 3h0m h ILE 352 N 0.00 1.12 0.12 2.04 2.04 -1.04 0.17 117.51 121.97 3h0m h ILE 352 Ca -0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3h0m h ILE 352 Cb 1.59 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3h0m h ILE 352 CO 0.10 0.11 -0.06 0.24 0.00 0.00 0.00 178.15 178.55 3h0m h MET 353 N 0.06 -0.15 -0.46 2.37 2.86 -1.27 -1.86 114.93 116.47 3h0m h MET 353 Ca 0.04 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3h0m h MET 353 Cb 0.13 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 3h0m h MET 353 CO -0.00 -0.05 0.13 1.25 1.06 0.00 0.00 176.91 179.30 3h0m h LEU 354 N -0.21 0.09 0.21 1.22 5.85 -1.36 -2.36 115.31 118.75 3h0m h LEU 354 Ca -0.02 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3h0m h LEU 354 Cb 0.17 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3h0m h LEU 354 CO 0.03 0.08 -0.26 1.23 -0.34 0.00 0.00 178.44 179.17 3h0m h GLY 355 N 0.28 -0.56 2.00 3.75 0.00 -0.43 -1.11 103.07 107.00 3h0m h GLY 355 Ca 0.23 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3h0m h GLY 355 CO -0.26 -0.23 0.00 -0.91 0.00 0.00 0.00 176.54 175.14 3h0m h THR 356 N -0.53 0.00 0.04 4.70 1.35 -1.14 0.94 112.91 118.26 3h0m h THR 356 Ca 0.01 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3h0m h THR 356 Cb 0.51 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3h0m h THR 356 CO -0.09 0.00 -0.02 0.15 -0.25 0.00 0.00 175.52 175.31 3h0m h PHE 357 N 0.00 -0.05 0.00 4.73 3.04 -1.10 -3.02 116.94 120.55 3h0m h PHE 357 Ca 0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3h0m h PHE 357 Cb 0.35 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 3h0m h PHE 357 CO 0.00 0.58 -0.01 0.00 -2.02 0.00 0.00 178.31 176.86 3h0m h ALA 358 N 0.13 1.03 0.00 2.41 0.00 0.44 -0.87 119.26 122.39 3h0m h ALA 358 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 358 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3h0m h ALA 358 CO 0.01 0.01 -1.30 1.28 0.00 0.00 0.00 179.25 179.25 3h0m n LEU 359 N -3.13 0.60 -4.76 0.00 4.77 -0.58 -3.58 117.00 110.31 3h0m n LEU 359 Ca -0.02 -0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.23 3h0m n LEU 359 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3h0m n LEU 359 CO 0.23 0.15 1.12 -1.54 -1.33 0.00 0.00 177.39 176.02 3h0m n SER 360 N -1.74 3.69 -4.78 -1.43 3.41 -0.33 -4.57 113.62 107.87 3h0m n SER 360 Ca 0.01 1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 59.43 3h0m n SER 360 Cb 0.39 -1.60 -0.01 0.00 -0.26 0.00 0.00 64.21 62.73 3h0m n SER 360 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0m s ALA 361 N -1.00 3.55 0.00 7.33 0.00 -1.26 -0.71 121.76 129.67 3h0m s ALA 361 Ca 0.55 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3h0m s ALA 361 Cb -0.49 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.05 3h0m s ALA 361 CO 0.62 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3h0m n GLY 362 N 0.54 2.98 0.00 0.00 0.00 -1.26 -4.74 105.19 102.71 3h0m n GLY 362 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h0m n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h0m n TYR 363 N -0.01 0.00 -0.26 1.61 4.01 -0.50 -4.78 117.16 117.23 3h0m n TYR 363 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 3h0m n TYR 363 Cb 0.00 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.18 3h0m n TYR 363 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3h0m h TYR 364 N 0.00 0.70 -0.53 -0.72 5.03 -0.97 -0.44 116.97 120.04 3h0m h TYR 364 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3h0m h TYR 364 Cb 0.00 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 3h0m h TYR 364 CO 0.00 0.26 0.19 -0.44 -1.32 0.00 0.00 178.16 176.84 3h0m h ASP 365 N 0.65 0.75 1.64 -2.11 3.32 -1.86 -0.02 116.42 118.79 3h0m h ASP 365 Ca 0.37 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3h0m h ASP 365 Cb 0.39 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3h0m h ASP 365 CO -0.27 0.74 -0.36 0.00 -1.72 0.00 0.00 179.24 177.62 3h0m h ALA 366 N 1.04 0.79 -3.00 3.45 0.00 -1.81 -2.45 119.26 117.28 3h0m h ALA 366 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h0m h ALA 366 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h0m h ALA 366 CO -0.01 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3h0m n TYR 367 N -3.15 0.00 0.03 0.00 4.02 -0.20 -4.53 117.16 113.33 3h0m n TYR 367 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.81 3h0m n TYR 367 Cb 0.66 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.93 3h0m n TYR 367 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3h0m h TYR 368 N 0.00 -0.21 -0.14 -0.72 3.20 -1.48 0.41 116.97 118.03 3h0m h TYR 368 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3h0m h TYR 368 Cb 0.00 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3h0m h TYR 368 CO 0.00 -0.13 0.05 1.25 -1.64 0.00 0.00 178.16 177.69 3h0m h LEU 369 N -0.13 0.20 -0.52 2.82 5.85 -1.21 -1.10 115.31 121.22 3h0m h LEU 369 Ca 0.05 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.70 3h0m h LEU 369 Cb 0.19 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 3h0m h LEU 369 CO -0.12 0.32 -0.18 0.50 -0.34 0.00 0.00 178.44 178.62 3h0m h LYS 370 N 0.06 -0.06 -0.49 1.25 1.63 -1.26 -1.87 116.57 115.84 3h0m h LYS 370 Ca 0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3h0m h LYS 370 Cb 0.19 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 3h0m h LYS 370 CO -0.00 -0.04 0.27 0.00 -3.45 0.00 0.00 179.45 176.23 3h0m h ALA 371 N 1.38 1.55 0.00 5.00 0.00 -0.59 -0.34 119.26 126.26 3h0m h ALA 371 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h0m h ALA 371 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h0m h ALA 371 CO -0.57 0.38 -0.19 1.96 0.00 0.00 0.00 179.25 180.84 3h0m h GLN 372 N 0.68 0.00 0.04 0.00 1.08 -0.44 0.43 115.11 116.89 3h0m h GLN 372 Ca 0.18 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3h0m h GLN 372 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3h0m h GLN 372 CO -0.03 0.19 -0.02 0.87 -0.95 0.00 0.00 178.83 178.89 3h0m h LYS 373 N 0.00 -0.05 -0.88 1.46 1.57 -0.53 -3.16 116.57 114.99 3h0m h LYS 373 Ca -0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 3h0m h LYS 373 Cb 0.83 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 3h0m h LYS 373 CO 0.02 0.50 0.62 0.28 -0.57 0.00 0.00 179.45 180.31 3h0m h VAL 374 N -0.96 0.58 -0.18 0.50 2.07 -1.02 0.12 116.25 117.35 3h0m h VAL 374 Ca -0.01 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3h0m h VAL 374 Cb 0.57 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3h0m h VAL 374 CO 0.01 0.01 -0.20 -0.09 0.02 0.00 0.00 177.57 177.32 3h0m h ARG 375 N 0.06 0.32 0.00 1.57 2.43 -0.95 -1.32 114.38 116.49 3h0m h ARG 375 Ca 0.42 -0.10 -0.24 0.00 -0.81 0.00 0.00 59.98 59.26 3h0m h ARG 375 Cb 1.59 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3h0m h ARG 375 CO -0.03 0.51 -0.98 -0.09 -1.51 0.00 0.00 179.97 177.87 3h0m h ARG 376 N 0.29 0.50 -0.56 0.20 2.43 -0.75 -1.77 114.38 114.73 3h0m h ARG 376 Ca 0.05 -0.55 0.07 0.00 -0.81 0.00 0.00 59.98 58.75 3h0m h ARG 376 Cb 0.53 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3h0m h ARG 376 CO 0.04 1.18 0.24 -0.07 -1.51 0.00 0.00 179.97 179.85 3h0m h LEU 377 N 0.28 0.29 -0.41 3.80 3.38 -1.02 -0.59 115.31 121.04 3h0m h LEU 377 Ca -0.10 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3h0m h LEU 377 Cb 1.62 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3h0m h LEU 377 CO 0.18 0.19 -0.16 0.40 0.09 0.00 0.00 178.44 179.14 3h0m h ILE 378 N 0.45 1.28 -0.79 1.22 2.04 -1.21 -1.48 117.51 119.02 3h0m h ILE 378 Ca 0.27 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3h0m h ILE 378 Cb 0.27 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3h0m h ILE 378 CO -0.24 0.43 0.50 0.74 0.00 0.00 0.00 178.15 179.59 3h0m h THR 379 N 0.65 1.12 -0.43 -0.27 2.02 -1.15 -2.92 112.91 111.93 3h0m h THR 379 Ca 0.10 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3h0m h THR 379 Cb 0.71 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3h0m h THR 379 CO 0.05 0.18 -0.02 0.78 0.37 0.00 0.00 175.52 176.88 3h0m h ASN 380 N 0.98 0.77 -0.86 4.18 2.35 -0.62 -1.48 115.58 120.90 3h0m h ASN 380 Ca 0.32 -0.32 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 3h0m h ASN 380 Cb 0.02 -0.21 -0.16 0.00 0.05 0.00 0.00 38.32 38.02 3h0m h ASN 380 CO -0.11 0.91 -0.28 0.44 -1.65 0.00 0.00 177.43 176.73 3h0m h ASP 381 N 0.62 -1.02 -0.09 5.81 3.32 -1.14 -0.68 116.42 123.23 3h0m h ASP 381 Ca 0.12 0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3h0m h ASP 381 Cb 0.52 0.60 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3h0m h ASP 381 CO 0.03 -0.29 0.01 -0.26 -1.72 0.00 0.00 179.24 177.00 3h0m h PHE 382 N -0.03 0.17 -0.72 4.55 0.04 -1.13 -0.87 116.94 118.95 3h0m h PHE 382 Ca 0.37 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 61.21 3h0m h PHE 382 Cb 0.62 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.68 3h0m h PHE 382 CO -0.73 0.39 0.48 -0.07 -0.60 0.00 0.00 178.31 177.78 3h0m h LEU 383 N -0.10 0.58 -0.01 1.54 3.38 -0.79 0.19 115.31 120.10 3h0m h LEU 383 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h0m h LEU 383 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h0m h LEU 383 CO 0.00 0.35 -0.09 0.50 0.09 0.00 0.00 178.44 179.29 3h0m h LYS 384 N 0.64 0.08 -0.76 1.13 3.64 -0.88 -3.13 116.57 117.29 3h0m h LYS 384 Ca 0.33 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 3h0m h LYS 384 Cb 0.43 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 3h0m h LYS 384 CO -0.11 0.79 0.50 0.00 -2.27 0.00 0.00 179.45 178.36 3h0m h ALA 385 N 0.30 2.06 0.00 5.00 0.00 -0.67 -0.00 119.26 125.95 3h0m h ALA 385 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 385 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3h0m h ALA 385 CO 0.02 -0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.20 3h0m n PHE 386 N -4.49 0.00 0.09 0.00 3.72 0.61 -2.16 117.46 115.23 3h0m n PHE 386 Ca 0.14 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 3h0m n PHE 386 Cb 0.50 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.87 3h0m n PHE 386 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3h0m h GLU 387 N 0.00 0.03 0.00 -1.08 5.08 -0.98 -3.34 114.58 114.29 3h0m h GLU 387 Ca 0.00 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 3h0m h GLU 387 Cb 0.12 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3h0m h GLU 387 CO 0.00 0.87 -2.12 0.39 -1.00 0.00 0.00 179.01 177.15 3h0m n GLU 388 N -3.55 0.67 -4.20 2.33 1.02 -0.92 -5.04 120.64 110.96 3h0m n GLU 388 Ca -0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 3h0m n GLU 388 Cb 0.81 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 3h0m n GLU 388 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h0m s VAL 389 N -2.83 0.86 -0.18 2.62 1.01 -0.96 -4.97 120.40 115.96 3h0m s VAL 389 Ca -0.08 -1.96 0.17 0.00 0.00 0.00 0.00 61.98 60.11 3h0m s VAL 389 Cb 0.09 -1.72 -0.24 0.00 0.00 0.00 0.00 36.38 34.50 3h0m s VAL 389 CO 0.85 -0.82 0.09 0.47 0.00 0.00 0.00 175.10 175.69 3h0m n ASP 390 N -0.07 0.28 -3.98 3.32 8.00 -0.42 -4.43 116.55 119.25 3h0m n ASP 390 Ca -0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 3h0m n ASP 390 Cb 0.61 1.04 -0.09 0.00 -0.02 0.00 0.00 41.12 42.66 3h0m n ASP 390 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3h0m s VAL 391 N -2.53 0.18 -0.09 2.53 -7.23 -0.97 -4.37 120.40 107.92 3h0m s VAL 391 Ca -0.09 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3h0m s VAL 391 Cb 0.06 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 3h0m s VAL 391 CO 0.79 -0.81 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.91 3h0m s ILE 392 N -3.90 1.92 0.10 -0.62 1.01 -0.59 -1.45 121.20 117.68 3h0m s ILE 392 Ca 0.07 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3h0m s ILE 392 Cb 0.06 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3h0m s ILE 392 CO -0.10 0.53 -0.26 0.00 0.00 0.00 0.00 174.94 175.11 3h0m s ALA 393 N 0.28 2.36 0.27 9.38 0.00 -0.67 -0.35 121.76 133.02 3h0m s ALA 393 Ca -0.15 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 3h0m s ALA 393 Cb -0.17 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.57 3h0m s ALA 393 CO 0.07 0.54 0.83 -1.54 0.00 0.00 0.00 175.76 175.66 3h0m s SER 394 N -1.78 -0.14 0.65 0.00 1.04 -0.78 -4.54 113.70 108.15 3h0m s SER 394 Ca 0.13 -0.71 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 3h0m s SER 394 Cb -0.10 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3h0m s SER 394 CO 0.05 -1.29 1.21 -2.65 0.98 0.00 0.00 173.24 171.53 3h0m n PRO 395 N -0.51 0.98 0.10 4.02 -0.02 -1.26 0.09 135.00 138.40 3h0m n PRO 395 Ca -0.05 0.39 -0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3h0m n PRO 395 Cb 0.60 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3h0m n PRO 395 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3h0m h THR 396 N 0.38 1.56 -3.69 3.45 2.02 -1.60 -3.41 112.91 111.62 3h0m h THR 396 Ca -0.50 -2.69 -0.20 0.00 0.77 0.00 0.00 66.41 63.78 3h0m h THR 396 Cb 1.34 2.46 -0.26 0.00 -1.74 0.00 0.00 68.15 69.96 3h0m h THR 396 CO 0.52 0.77 -0.66 -0.89 0.37 0.00 0.00 175.52 175.63 3h0m s THR 397 N -3.21 0.03 0.16 3.16 2.01 -1.26 -4.47 115.64 112.07 3h0m s THR 397 Ca -0.01 -0.25 0.32 0.00 0.31 0.00 0.00 61.69 62.07 3h0m s THR 397 Cb 0.11 -0.14 0.36 0.00 0.01 0.00 0.00 72.50 72.85 3h0m s THR 397 CO 0.80 -0.14 1.99 1.55 -0.69 0.00 0.00 174.62 178.13 3h0m h PRO 398 N 5.64 0.00 -4.98 4.92 0.13 -1.88 -3.46 132.00 132.37 3h0m h PRO 398 Ca -0.26 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.50 3h0m h PRO 398 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3h0m h PRO 398 CO 0.46 0.05 -0.63 0.95 -0.23 0.00 0.00 178.00 178.59 3h0m s THR 399 N -3.73 0.80 0.59 1.56 -4.23 -1.26 -0.78 115.64 108.59 3h0m s THR 399 Ca 0.00 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 3h0m s THR 399 Cb 0.10 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 3h0m s THR 399 CO 0.55 -0.15 1.09 -0.76 -0.54 0.00 0.00 174.62 174.81 3h0m s LEU 400 N -3.32 3.57 -0.32 4.79 1.43 -1.26 -4.95 118.68 118.62 3h0m s LEU 400 Ca 0.33 1.97 -0.37 0.00 -1.03 0.00 0.00 54.13 55.02 3h0m s LEU 400 Cb 0.07 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.57 3h0m s LEU 400 CO 0.11 -1.26 1.22 -2.65 0.23 0.00 0.00 176.35 174.00 3h0m n PRO 401 N -1.83 0.00 -2.74 1.29 -0.02 -1.26 -4.94 135.00 125.50 3h0m n PRO 401 Ca 0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 3h0m n PRO 401 Cb 0.52 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.84 3h0m n PRO 401 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3h0m s PHE 402 N 1.89 1.70 0.29 6.00 -0.12 -1.26 -4.84 117.98 121.64 3h0m s PHE 402 Ca 0.84 -0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 57.22 3h0m s PHE 402 Cb -1.19 -2.71 -0.07 0.00 -0.63 0.00 0.00 43.02 38.41 3h0m s PHE 402 CO 0.63 -1.42 0.64 0.15 -0.05 0.00 0.00 175.22 175.17 3h0m s LYS 403 N -4.93 3.83 0.35 1.99 1.02 -1.26 -1.47 119.74 119.27 3h0m s LYS 403 Ca 0.64 0.38 -0.26 0.00 0.02 0.00 0.00 55.97 56.75 3h0m s LYS 403 Cb -0.06 -2.54 -0.12 0.00 -0.52 0.00 0.00 37.83 34.58 3h0m s LYS 403 CO 0.42 0.20 0.97 1.19 -0.92 0.00 0.00 175.35 177.20 3h0m n PHE 404 N -0.49 1.07 -0.39 3.18 3.72 -1.21 -1.86 117.46 121.48 3h0m n PHE 404 Ca 0.01 0.63 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 3h0m n PHE 404 Cb 0.53 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 3h0m n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h0m n GLY 405 N 1.25 1.73 0.15 1.37 0.00 -1.26 -4.86 105.19 103.57 3h0m n GLY 405 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3h0m n GLY 405 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h0m h GLU 406 N 1.96 0.00 0.00 1.61 4.81 -1.77 -3.30 114.58 117.89 3h0m h GLU 406 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3h0m h GLU 406 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 3h0m h GLU 406 CO 0.00 0.52 -0.65 0.54 -0.73 0.00 0.00 179.01 178.69 3h0m n ARG 407 N -3.40 0.94 -0.01 1.92 1.74 -1.26 -4.64 116.66 111.95 3h0m n ARG 407 Ca 0.01 -2.69 0.09 0.00 -0.77 0.00 0.00 57.85 54.49 3h0m n ARG 407 Cb 0.66 -0.99 -0.13 0.00 -1.02 0.00 0.00 32.46 30.98 3h0m n ARG 407 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h0m n LEU 408 N -0.52 0.25 0.00 0.55 4.77 -1.24 -3.85 117.00 116.96 3h0m n LEU 408 Ca 0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3h0m n LEU 408 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3h0m n LEU 408 CO -0.03 0.06 0.45 1.21 -1.33 0.00 0.00 177.39 177.75 3h0m n GLU 409 N -1.94 0.00 -3.58 3.23 2.13 -1.26 -4.52 120.64 114.70 3h0m n GLU 409 Ca -0.01 0.41 -0.38 0.00 0.66 0.00 0.00 57.16 57.84 3h0m n GLU 409 Cb 0.43 -1.41 -0.10 0.00 0.27 0.00 0.00 31.44 30.63 3h0m n GLU 409 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3h0m s ASN 410 N -2.01 6.12 0.51 4.31 2.47 -1.26 -4.98 114.94 120.10 3h0m s ASN 410 Ca 0.00 0.11 0.27 0.00 0.42 0.00 0.00 52.86 53.66 3h0m s ASN 410 Cb 0.00 -2.13 1.38 0.00 -1.45 0.00 0.00 41.25 39.05 3h0m s ASN 410 CO 0.00 -0.02 1.92 -0.65 -3.72 0.00 0.00 177.10 174.63 3h0m h PRO 411 N 7.92 0.08 -0.80 0.43 0.11 -1.83 -1.03 132.00 136.88 3h0m h PRO 411 Ca -0.36 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3h0m h PRO 411 Cb 1.18 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3h0m h PRO 411 CO 0.62 0.05 0.53 0.82 -0.21 0.00 0.00 178.00 179.81 3h0m h ILE 412 N 0.08 1.20 0.00 4.15 2.04 -1.93 -1.49 117.51 121.56 3h0m h ILE 412 Ca 0.38 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3h0m h ILE 412 Cb 1.39 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3h0m h ILE 412 CO -0.04 0.20 -0.13 -0.33 0.00 0.00 0.00 178.15 177.85 3h0m h GLU 413 N 1.08 0.00 -0.41 2.37 5.08 -1.47 -0.51 114.58 120.72 3h0m h GLU 413 Ca 0.29 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 3h0m h GLU 413 Cb -0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3h0m h GLU 413 CO -0.06 0.13 -0.26 1.98 -1.00 0.00 0.00 179.01 179.80 3h0m h MET 414 N 0.00 0.90 -0.79 2.33 4.05 -1.36 -3.26 114.93 116.80 3h0m h MET 414 Ca -0.00 -0.42 -0.05 0.00 -0.28 0.00 0.00 59.70 58.95 3h0m h MET 414 Cb 0.27 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 3h0m h MET 414 CO 0.02 1.07 0.31 1.88 0.23 0.00 0.00 176.91 180.41 3h0m h TYR 415 N 0.72 1.22 0.00 1.39 0.05 -0.97 -2.63 116.97 116.75 3h0m h TYR 415 Ca 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3h0m h TYR 415 Cb 0.84 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3h0m h TYR 415 CO 0.06 0.93 0.04 1.28 -1.05 0.00 0.00 178.16 179.42 3h0m n LEU 416 N -4.27 0.10 0.29 3.88 4.77 -0.79 -0.90 117.00 120.08 3h0m n LEU 416 Ca 0.07 0.52 0.18 0.00 -0.03 0.00 0.00 56.01 56.74 3h0m n LEU 416 Cb 0.20 -0.53 0.79 0.00 -2.33 0.00 0.00 43.42 41.55 3h0m n LEU 416 CO 0.41 -0.55 1.02 0.28 -1.33 0.00 0.00 177.39 177.22 3h0m h SER 417 N 0.00 0.00 0.02 -1.43 0.02 -1.60 -3.27 113.55 107.29 3h0m h SER 417 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h0m h SER 417 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h0m h SER 417 CO 0.00 0.02 -0.36 0.47 -1.14 0.00 0.00 176.83 175.82 3h0m n ASP 418 N -3.14 2.01 -0.06 3.07 8.00 -0.07 -4.58 116.55 121.77 3h0m n ASP 418 Ca -0.00 -1.50 0.25 0.00 0.71 0.00 0.00 54.79 54.25 3h0m n ASP 418 Cb 0.26 0.35 0.71 0.00 -0.02 0.00 0.00 41.12 42.42 3h0m n ASP 418 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3h0m h ILE 419 N 2.58 0.41 -0.02 0.53 3.07 -1.72 0.35 117.51 122.71 3h0m h ILE 419 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3h0m h ILE 419 Cb 0.75 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.84 3h0m h ILE 419 CO 0.00 0.00 -0.13 0.18 -1.05 0.00 0.00 178.15 177.15 3h0m n LEU 420 N -3.91 2.16 -0.07 0.16 4.77 -1.26 -4.59 117.00 114.26 3h0m n LEU 420 Ca 0.14 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 3h0m n LEU 420 Cb 0.87 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 3h0m n LEU 420 CO 0.32 0.39 -0.96 0.35 -1.33 0.00 0.00 177.39 176.16 3h0m n THR 421 N 0.57 0.88 0.04 -5.08 -2.24 0.11 -4.65 114.28 103.91 3h0m n THR 421 Ca 0.09 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 3h0m n THR 421 Cb 0.41 -0.85 0.17 0.00 -2.10 0.00 0.00 70.33 67.96 3h0m n THR 421 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3h0m h VAL 422 N 0.00 1.30 -0.96 2.28 -1.51 -1.39 -3.07 116.25 112.90 3h0m h VAL 422 Ca -0.34 -1.49 0.20 0.00 -1.23 0.00 0.00 66.70 63.84 3h0m h VAL 422 Cb 1.66 1.56 -0.08 0.00 -2.13 0.00 0.00 31.29 32.30 3h0m h VAL 422 CO -0.02 0.46 0.61 -0.65 -1.23 0.00 0.00 177.57 176.75 3h0m h PRO 423 N 0.35 0.55 -0.19 5.19 0.11 -1.84 -1.87 132.00 134.30 3h0m h PRO 423 Ca 0.04 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3h0m h PRO 423 Cb 0.82 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3h0m h PRO 423 CO 0.07 0.36 -0.29 0.00 -0.21 0.00 0.00 178.00 177.93 3h0m h ALA 424 N 1.62 1.15 -0.20 -0.75 0.00 -1.85 -2.22 119.26 117.01 3h0m h ALA 424 Ca 0.52 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3h0m h ALA 424 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h0m h ALA 424 CO -0.27 0.54 -0.32 -0.91 0.00 0.00 0.00 179.25 178.29 3h0m h ASN 425 N 0.32 0.62 -0.47 0.00 4.21 -1.51 0.23 115.58 118.99 3h0m h ASN 425 Ca 0.05 -0.53 0.08 0.00 1.21 0.00 0.00 56.30 57.10 3h0m h ASN 425 Cb 0.68 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.64 3h0m h ASN 425 CO 0.05 1.03 0.09 -0.07 -1.29 0.00 0.00 177.43 177.25 3h0m h LEU 426 N 0.23 -0.00 -0.37 1.61 3.38 -1.27 -1.67 115.31 117.22 3h0m h LEU 426 Ca 0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3h0m h LEU 426 Cb 0.91 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3h0m h LEU 426 CO 0.07 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 178.59 3h0m n ALA 427 N -2.51 2.69 -1.48 1.53 0.00 -0.85 -4.87 120.51 115.03 3h0m n ALA 427 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3h0m n ALA 427 Cb 0.23 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 3h0m n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 428 N 1.17 0.95 3.89 0.00 0.00 -0.63 -4.97 105.19 105.59 3h0m n GLY 428 Ca 0.19 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3h0m n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 429 N -2.51 4.09 0.49 0.99 1.43 0.72 -1.80 118.68 122.08 3h0m s LEU 429 Ca 0.00 0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 53.76 3h0m s LEU 429 Cb 0.00 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 3h0m s LEU 429 CO 0.00 -0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.38 3h0m s PRO 430 N -3.20 3.65 -0.17 1.29 0.04 -1.26 -4.60 135.00 130.75 3h0m s PRO 430 Ca 0.47 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 3h0m s PRO 430 Cb -0.11 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.28 3h0m s PRO 430 CO 0.25 -0.60 0.44 0.00 0.04 0.00 0.00 177.00 177.13 3h0m s ALA 431 N -1.73 -1.09 0.05 8.56 0.00 -0.67 -1.14 121.76 125.73 3h0m s ALA 431 Ca 0.67 1.37 0.09 0.00 0.00 0.00 0.00 51.96 54.09 3h0m s ALA 431 Cb -0.24 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3h0m s ALA 431 CO 0.28 -0.23 -0.24 -1.50 0.00 0.00 0.00 175.76 174.07 3h0m s ILE 432 N 0.67 2.35 -0.21 0.00 2.07 -0.58 -2.01 121.20 123.50 3h0m s ILE 432 Ca -0.04 -1.34 -0.03 0.00 -1.41 0.00 0.00 60.65 57.84 3h0m s ILE 432 Cb -0.05 -1.94 -0.00 0.00 0.13 0.00 0.00 42.46 40.59 3h0m s ILE 432 CO -0.05 0.35 -0.08 -0.55 -1.91 0.00 0.00 174.94 172.71 3h0m s SER 433 N -1.33 4.08 0.11 4.50 0.15 -0.11 -1.65 113.70 119.44 3h0m s SER 433 Ca 0.13 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.45 3h0m s SER 433 Cb -0.10 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 3h0m s SER 433 CO 0.03 -0.00 -0.25 0.27 1.20 0.00 0.00 173.24 174.49 3h0m s ILE 434 N 1.37 2.10 -0.03 6.45 -4.36 -0.07 -1.72 121.20 124.94 3h0m s ILE 434 Ca 0.05 -1.65 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 3h0m s ILE 434 Cb -0.14 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 3h0m s ILE 434 CO -0.04 0.09 1.12 -2.84 0.24 0.00 0.00 174.94 173.51 3h0m s PRO 435 N -1.89 4.42 -0.02 0.37 0.02 -1.26 0.33 135.00 136.97 3h0m s PRO 435 Ca 0.12 1.59 0.07 0.00 0.02 0.00 0.00 61.00 62.80 3h0m s PRO 435 Cb -0.10 -3.49 -0.11 0.00 0.02 0.00 0.00 34.50 30.83 3h0m s PRO 435 CO 0.05 -0.30 0.14 0.44 -0.33 0.00 0.00 177.00 177.00 3h0m n ILE 436 N 4.30 0.07 -3.79 2.83 -5.35 0.68 -4.86 119.36 113.23 3h0m n ILE 436 Ca 0.09 -0.18 -0.04 0.00 -0.27 0.00 0.00 62.75 62.35 3h0m n ILE 436 Cb 0.48 0.16 -0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3h0m n ILE 436 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h0m s ALA 437 N -2.45 -1.59 -0.12 -1.28 0.00 -1.21 -4.89 121.76 110.22 3h0m s ALA 437 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3h0m s ALA 437 Cb 0.04 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3h0m s ALA 437 CO 0.30 -1.05 -0.14 -1.58 0.00 0.00 0.00 175.76 173.29 3h0m s TRP 438 N -2.93 1.96 -0.15 0.00 0.52 -1.26 -1.66 118.94 115.42 3h0m s TRP 438 Ca 0.15 -0.97 -0.01 0.00 0.02 0.00 0.00 56.10 55.30 3h0m s TRP 438 Cb -0.02 -1.44 0.04 0.00 -1.15 0.00 0.00 33.47 30.90 3h0m s TRP 438 CO 0.04 -0.52 -0.04 0.15 0.02 0.00 0.00 176.95 176.60 3h0m s LYS 439 N 1.15 1.24 -1.60 4.98 -0.14 0.11 -4.68 119.74 120.79 3h0m s LYS 439 Ca -0.03 -0.39 -0.02 0.00 -1.36 0.00 0.00 55.97 54.17 3h0m s LYS 439 Cb -0.14 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.18 3h0m s LYS 439 CO -0.04 -0.42 0.22 -0.25 -0.76 0.00 0.00 175.35 174.10 3h0m n ASP 440 N 4.94 -5.74 0.00 2.83 8.00 -1.26 -2.54 116.55 122.78 3h0m n ASP 440 Ca -0.11 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.27 3h0m n ASP 440 Cb 0.48 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 3h0m n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 441 N -1.20 0.88 3.42 0.44 0.00 -1.26 -5.05 105.19 102.42 3h0m n GLY 441 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3h0m n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 442 N 0.00 2.53 0.65 0.99 1.43 -1.05 -4.90 118.68 118.33 3h0m s LEU 442 Ca 0.00 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 3h0m s LEU 442 Cb 0.00 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 3h0m s LEU 442 CO 0.00 0.33 1.19 -2.84 0.23 0.00 0.00 176.35 175.26 3h0m s PRO 443 N -0.62 2.64 -0.05 1.29 0.02 -1.26 -0.71 135.00 136.30 3h0m s PRO 443 Ca 0.09 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.86 3h0m s PRO 443 Cb -0.11 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3h0m s PRO 443 CO 0.00 -1.45 -0.07 0.08 -0.33 0.00 0.00 177.00 175.24 3h0m s VAL 444 N -1.86 0.76 -0.13 3.83 1.01 -0.66 -4.64 120.40 118.71 3h0m s VAL 444 Ca 0.75 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 3h0m s VAL 444 Cb -0.28 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3h0m s VAL 444 CO 0.39 0.27 0.18 -0.83 0.00 0.00 0.00 175.10 175.11 3h0m s GLY 445 N 0.82 2.17 -0.15 4.51 0.00 -1.26 -0.23 107.32 113.18 3h0m s GLY 445 Ca -0.12 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 3h0m s GLY 445 CO 0.01 -0.14 0.12 -0.32 0.00 0.00 0.00 173.10 172.77 3h0m s GLY 446 N -0.60 2.07 -0.12 0.20 0.00 0.15 -1.63 107.32 107.40 3h0m s GLY 446 Ca 0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 3h0m s GLY 446 CO 0.04 -0.21 -0.00 1.62 0.00 0.00 0.00 173.10 174.55 3h0m s GLN 447 N -0.48 3.29 -0.14 2.90 0.74 0.11 -0.89 119.66 125.19 3h0m s GLN 447 Ca 0.12 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.11 3h0m s GLN 447 Cb -0.12 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.13 3h0m s GLN 447 CO 0.02 0.53 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.59 3h0m s LEU 448 N -0.39 1.91 -0.19 3.68 1.43 -0.66 -1.86 118.68 122.60 3h0m s LEU 448 Ca 0.07 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 3h0m s LEU 448 Cb -0.12 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 3h0m s LEU 448 CO 0.02 0.02 0.20 -0.63 0.23 0.00 0.00 176.35 176.19 3h0m s ILE 449 N 1.06 5.37 0.41 -0.59 1.01 0.53 -1.52 121.20 127.46 3h0m s ILE 449 Ca -0.03 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.03 3h0m s ILE 449 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3h0m s ILE 449 CO -0.05 0.41 0.35 -0.83 0.00 0.00 0.00 174.94 174.82 3h0m s GLY 450 N 0.44 2.16 0.72 6.18 0.00 -0.29 -1.54 107.32 115.00 3h0m s GLY 450 Ca 0.11 -1.92 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 3h0m s GLY 450 CO 0.01 -1.73 1.09 0.54 0.00 0.00 0.00 173.10 173.01 3h0m s LYS 451 N -4.09 2.54 0.09 2.90 1.02 -1.26 -4.14 119.74 116.79 3h0m s LYS 451 Ca 0.47 1.22 -0.35 0.00 0.02 0.00 0.00 55.97 57.33 3h0m s LYS 451 Cb -0.02 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 35.21 3h0m s LYS 451 CO 0.27 -1.43 1.53 0.72 -0.92 0.00 0.00 175.35 175.53 3h0m n HIS 452 N -3.07 2.02 -0.96 3.18 8.25 -1.26 -1.00 115.22 122.37 3h0m n HIS 452 Ca 0.09 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 3h0m n HIS 452 Cb 0.53 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.16 3h0m n HIS 452 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3h0m n TRP 453 N 3.50 0.00 -2.10 4.41 7.02 -1.26 -4.93 117.44 124.08 3h0m n TRP 453 Ca 0.18 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.28 3h0m n TRP 453 Cb 0.25 -0.20 0.03 0.00 -2.42 0.00 0.00 31.31 28.97 3h0m n TRP 453 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3h0m n ASP 454 N -0.04 7.18 0.19 -0.99 2.03 -0.17 -4.61 116.55 120.14 3h0m n ASP 454 Ca 0.00 -3.80 0.04 0.00 0.52 0.00 0.00 54.79 51.55 3h0m n ASP 454 Cb 0.02 -1.02 0.37 0.00 -0.72 0.00 0.00 41.12 39.77 3h0m n ASP 454 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3h0m h GLU 455 N 3.13 0.00 -0.31 -0.67 3.07 -1.92 -3.18 114.58 114.70 3h0m h GLU 455 Ca 0.53 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.45 3h0m h GLU 455 Cb 0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 3h0m h GLU 455 CO 1.33 0.38 -0.39 1.15 -1.40 0.00 0.00 179.01 180.08 3h0m h THR 456 N 0.00 0.16 -0.26 1.13 2.02 -1.98 0.31 112.91 114.29 3h0m h THR 456 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3h0m h THR 456 Cb 0.78 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3h0m h THR 456 CO 0.05 0.00 0.11 0.74 0.37 0.00 0.00 175.52 176.79 3h0m h THR 457 N -0.36 1.16 -0.92 3.16 2.02 -1.94 0.29 112.91 116.33 3h0m h THR 457 Ca 0.13 -0.49 0.17 0.00 0.77 0.00 0.00 66.41 66.99 3h0m h THR 457 Cb 0.58 1.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.89 3h0m h THR 457 CO -0.50 0.17 0.51 -0.07 0.37 0.00 0.00 175.52 175.99 3h0m h LEU 458 N 0.28 0.63 -0.18 2.58 4.07 -1.54 -1.22 115.31 119.93 3h0m h LEU 458 Ca 0.09 0.10 -0.22 0.00 0.08 0.00 0.00 57.88 57.93 3h0m h LEU 458 Cb 0.16 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.90 3h0m h LEU 458 CO -0.01 0.23 -0.76 -0.07 -1.08 0.00 0.00 178.44 176.75 3h0m h LEU 459 N 0.67 0.94 0.12 1.67 3.38 0.31 -2.59 115.31 119.81 3h0m h LEU 459 Ca 0.52 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3h0m h LEU 459 Cb 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3h0m h LEU 459 CO -0.38 1.41 -0.06 1.56 0.09 0.00 0.00 178.44 181.05 3h0m h GLN 460 N 0.54 -0.16 -0.19 1.13 4.20 0.33 -0.21 115.11 120.75 3h0m h GLN 460 Ca -0.05 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3h0m h GLN 460 Cb 1.39 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3h0m h GLN 460 CO 0.16 -0.10 0.05 0.82 -0.67 0.00 0.00 178.83 179.09 3h0m h ILE 461 N -0.18 1.09 -0.57 2.54 2.04 -1.32 -0.39 117.51 120.72 3h0m h ILE 461 Ca -0.02 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3h0m h ILE 461 Cb 0.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3h0m h ILE 461 CO 0.03 0.11 -0.07 -1.28 0.00 0.00 0.00 178.15 176.94 3h0m h SER 462 N 0.26 1.06 -0.58 1.72 0.87 -0.96 -0.54 113.55 115.38 3h0m h SER 462 Ca 0.07 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 3h0m h SER 462 Cb 0.09 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3h0m h SER 462 CO -0.00 1.14 0.11 0.22 -0.53 0.00 0.00 176.83 177.77 3h0m h TYR 463 N 0.95 1.01 -0.49 2.24 3.20 0.07 -2.23 116.97 121.73 3h0m h TYR 463 Ca 0.15 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3h0m h TYR 463 Cb 0.64 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3h0m h TYR 463 CO 0.04 0.87 0.09 1.25 -1.64 0.00 0.00 178.16 178.78 3h0m h LEU 464 N 0.86 0.77 -1.24 2.82 5.85 -0.95 -3.04 115.31 120.37 3h0m h LEU 464 Ca 0.18 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3h0m h LEU 464 Cb 0.40 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3h0m h LEU 464 CO 0.01 0.82 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.63 3h0m h TRP 465 N 0.68 0.48 0.00 1.25 2.91 -0.94 -2.76 115.95 117.56 3h0m h TRP 465 Ca 0.15 -0.05 -0.12 0.00 1.13 0.00 0.00 58.89 60.00 3h0m h TRP 465 Cb 0.38 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.87 3h0m h TRP 465 CO 0.03 0.51 -0.57 1.05 -1.03 0.00 0.00 178.44 178.43 3h0m h GLU 466 N 0.44 0.00 -0.58 2.65 4.11 -1.31 0.15 114.58 120.04 3h0m h GLU 466 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 3h0m h GLU 466 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3h0m h GLU 466 CO 0.02 0.57 0.20 1.96 0.07 0.00 0.00 179.01 181.83 3h0m h GLN 467 N 0.00 0.88 -0.13 1.06 1.08 -1.39 -2.65 115.11 113.97 3h0m h GLN 467 Ca -0.01 -0.18 -0.18 0.00 -1.45 0.00 0.00 58.65 56.84 3h0m h GLN 467 Cb 1.05 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3h0m h GLN 467 CO 0.07 0.78 -0.66 0.87 -0.95 0.00 0.00 178.83 178.95 3h0m h LYS 468 N 0.80 0.52 -3.17 1.46 1.57 -1.35 -3.42 116.57 112.98 3h0m h LYS 468 Ca 0.19 -0.38 -0.55 0.00 -1.87 0.00 0.00 60.65 58.04 3h0m h LYS 468 Cb 0.25 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 32.22 3h0m h LYS 468 CO -0.01 1.00 -0.77 0.12 -0.57 0.00 0.00 179.45 179.22 3h0m s PHE 469 N -3.80 0.97 -1.33 -1.35 5.36 0.49 -5.06 117.98 113.27 3h0m s PHE 469 Ca -0.07 -1.26 -0.13 0.00 -0.96 0.00 0.00 56.93 54.51 3h0m s PHE 469 Cb 0.11 -1.27 0.12 0.00 -0.34 0.00 0.00 43.02 41.63 3h0m s PHE 469 CO 0.85 -0.84 1.90 1.63 -1.46 0.00 0.00 175.22 177.30 3h0m n LYS 470 N 5.06 3.29 0.25 10.12 5.02 -1.02 -4.16 118.16 136.71 3h0m n LYS 470 Ca -0.04 -3.25 0.17 0.00 -2.02 0.00 0.00 58.31 53.16 3h0m n LYS 470 Cb 0.42 -3.13 0.75 0.00 -0.02 0.00 0.00 35.03 33.06 3h0m n LYS 470 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3h0m h HIS 471 N 6.26 0.00 0.00 2.13 2.07 -1.91 -2.79 115.15 120.91 3h0m h HIS 471 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3h0m h HIS 471 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 3h0m h HIS 471 CO 1.32 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.66 3h0m n TYR 472 N -2.82 0.00 0.09 6.12 0.18 -1.26 -2.28 117.16 117.18 3h0m n TYR 472 Ca -0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 3h0m n TYR 472 Cb 0.21 -0.47 -0.01 0.00 -0.38 0.00 0.00 39.34 38.68 3h0m n TYR 472 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3h0m h GLU 473 N 0.00 0.00 -6.19 -3.48 5.08 -1.88 -3.44 114.58 104.67 3h0m h GLU 473 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3h0m h GLU 473 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3h0m h GLU 473 CO 0.00 0.13 1.21 0.15 -1.00 0.00 0.00 179.01 179.50 3h0m s LYS 474 N -3.18 2.97 -0.21 2.33 -0.14 -0.97 -4.97 119.74 115.57 3h0m s LYS 474 Ca -0.01 0.40 -0.04 0.00 -1.36 0.00 0.00 55.97 54.96 3h0m s LYS 474 Cb 0.09 -4.26 -0.01 0.00 -1.68 0.00 0.00 37.83 31.97 3h0m s LYS 474 CO 0.79 -2.35 -0.04 0.42 -0.76 0.00 0.00 175.35 173.41 3h0m s ILE 475 N 7.38 3.40 0.86 2.17 1.01 -1.26 -5.06 121.20 129.70 3h0m s ILE 475 Ca 0.56 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 3h0m s ILE 475 Cb -0.11 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 39.95 3h0m s ILE 475 CO 0.21 0.43 1.22 -2.16 0.00 0.00 0.00 174.94 174.64 3h0m s PRO 476 N 1.39 1.38 -1.31 2.79 0.04 -1.26 -4.33 135.00 133.69 3h0m s PRO 476 Ca 0.05 -0.21 -0.10 0.00 0.04 0.00 0.00 61.00 60.77 3h0m s PRO 476 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3h0m s PRO 476 CO -0.02 -1.93 0.54 1.28 0.04 0.00 0.00 177.00 176.91 3h0m n LEU 477 N -3.46 -2.14 0.00 -3.56 4.77 -1.26 -4.89 117.00 106.46 3h0m n LEU 477 Ca 0.12 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3h0m n LEU 477 Cb 0.60 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 3h0m n LEU 477 CO 0.51 0.49 0.00 0.35 -1.33 0.00 0.00 177.39 177.41