#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 0.15 -0.89 7.94 -1.26 -4.24 117.00 118.70 3h0m n LEU 2 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3h0m n LEU 2 Cb 0.00 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.49 3h0m n LEU 2 CO 0.00 0.00 0.87 4.11 -1.11 0.00 0.00 177.39 181.26 3h0m h TRP 3 N 0.00 0.00 -0.00 1.96 5.08 -1.90 -1.67 115.95 119.41 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 -0.05 1.17 -1.28 0.00 0.00 178.44 178.28 3h0m n LYS 4 N -2.34 0.52 -3.81 0.12 4.81 -1.26 -4.90 118.16 111.29 3h0m n LYS 4 Ca 0.01 -0.09 -0.31 0.00 -0.87 0.00 0.00 58.31 57.06 3h0m n LYS 4 Cb 0.21 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 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 -2.54 3.52 0.88 1.64 1.02 -0.63 -4.85 119.74 118.77 3h0m s LYS 5 Ca 0.28 -0.29 -0.13 0.00 0.02 0.00 0.00 55.97 55.85 3h0m s LYS 5 Cb 0.20 -2.96 0.12 0.00 -0.52 0.00 0.00 37.83 34.68 3h0m s LYS 5 CO 0.47 0.55 1.17 -1.54 -0.92 0.00 0.00 175.35 175.08 3h0m s SER 6 N -2.50 3.83 0.50 2.83 1.04 -1.26 -4.79 113.70 113.35 3h0m s SER 6 Ca 0.38 0.82 0.29 0.00 0.48 0.00 0.00 55.95 57.92 3h0m s SER 6 Cb -0.13 -1.31 1.22 0.00 0.10 0.00 0.00 66.02 65.91 3h0m s SER 6 CO 0.27 -2.34 1.94 -0.07 0.98 0.00 0.00 173.24 174.02 3h0m h LEU 7 N -1.35 0.00 -0.03 2.42 3.38 -1.97 0.26 115.31 118.02 3h0m h LEU 7 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3h0m h LEU 7 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3h0m h LEU 7 CO 0.61 0.11 -0.06 0.28 0.09 0.00 0.00 178.44 179.47 3h0m h SER 8 N 0.00 0.11 -0.41 -0.43 0.02 -1.99 0.63 113.55 111.48 3h0m h SER 8 Ca -0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3h0m h SER 8 Cb 0.57 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3h0m h SER 8 CO 0.01 0.65 0.27 -0.33 -1.14 0.00 0.00 176.83 176.29 3h0m h GLU 9 N -0.43 0.54 -0.43 3.45 5.08 -1.84 -2.42 114.58 118.54 3h0m h GLU 9 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3h0m h GLU 9 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3h0m h GLU 9 CO 0.01 0.36 0.11 -0.07 -1.00 0.00 0.00 179.01 178.42 3h0m h LEU 10 N 0.56 0.64 -0.17 1.33 4.07 -0.52 -2.90 115.31 118.32 3h0m h LEU 10 Ca 0.15 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 3h0m h LEU 10 Cb -0.07 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 3h0m h LEU 10 CO -0.03 0.70 0.08 -0.09 -1.08 0.00 0.00 178.44 178.02 3h0m h ARG 11 N 0.55 0.24 -0.60 1.13 2.43 -0.77 -0.77 114.38 116.58 3h0m h ARG 11 Ca 0.13 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3h0m h ARG 11 Cb 0.30 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 3h0m h ARG 11 CO 0.00 0.27 0.19 1.49 -1.51 0.00 0.00 179.97 180.41 3h0m h GLU 12 N 0.15 0.34 -0.25 0.20 4.81 -1.47 0.20 114.58 118.56 3h0m h GLU 12 Ca 0.06 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3h0m h GLU 12 Cb 0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3h0m h GLU 12 CO -0.01 0.23 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.25 3h0m h LEU 13 N 0.35 0.44 0.12 1.64 4.07 -1.28 -2.74 115.31 117.92 3h0m h LEU 13 Ca 0.31 -0.13 -0.30 0.00 0.08 0.00 0.00 57.88 57.84 3h0m h LEU 13 Cb 0.41 -0.12 0.03 0.00 1.08 0.00 0.00 40.66 42.06 3h0m h LEU 13 CO -0.34 0.64 -1.26 -0.07 -1.08 0.00 0.00 178.44 176.33 3h0m h LEU 14 N 0.41 0.83 -0.99 1.67 3.38 -0.24 -1.24 115.31 119.12 3h0m h LEU 14 Ca 0.07 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.19 3h0m h LEU 14 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h0m h LEU 14 CO 0.04 1.59 -0.02 0.11 0.09 0.00 0.00 178.44 180.25 3h0m h LYS 15 N 0.24 0.71 -0.60 1.13 1.57 -0.64 -2.62 116.57 116.36 3h0m h LYS 15 Ca -0.19 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3h0m h LYS 15 Cb 1.94 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.17 3h0m h LYS 15 CO 0.24 0.73 0.00 0.54 -0.57 0.00 0.00 179.45 180.39 3h0m n ARG 16 N -4.22 2.85 -0.58 3.15 1.74 -1.03 -4.95 116.66 113.62 3h0m n ARG 16 Ca 0.02 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.94 3h0m n ARG 16 Cb 0.30 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.10 0.40 0.46 -0.13 0.00 -0.99 -4.78 105.19 101.24 3h0m n GLY 17 Ca 0.20 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.49 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 0.92 0.15 -4.51 1.61 5.08 -1.53 -3.41 114.58 112.89 3h0m h GLU 18 Ca 0.00 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3h0m h GLU 18 Cb 0.00 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.05 3h0m h GLU 18 CO 0.00 0.10 -0.70 0.54 -1.00 0.00 0.00 179.01 177.95 3h0m s VAL 19 N -5.16 0.53 0.17 3.13 0.11 -0.81 -5.03 120.40 113.34 3h0m s VAL 19 Ca -0.06 -1.69 0.07 0.00 -2.93 0.00 0.00 61.98 57.37 3h0m s VAL 19 Cb 0.23 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 3h0m s VAL 19 CO 0.79 -0.79 0.01 -0.94 -3.33 0.00 0.00 175.10 170.84 3h0m s SER 20 N -2.65 4.87 0.36 3.54 1.04 -1.26 -4.42 113.70 115.17 3h0m s SER 20 Ca 0.05 -0.35 0.13 0.00 0.48 0.00 0.00 55.95 56.26 3h0m s SER 20 Cb 0.02 -1.07 0.96 0.00 0.10 0.00 0.00 66.02 66.03 3h0m s SER 20 CO -0.05 0.09 1.77 -0.65 0.98 0.00 0.00 173.24 175.38 3h0m h PRO 21 N 2.71 0.52 -0.74 4.02 0.11 -1.89 -1.46 132.00 135.27 3h0m h PRO 21 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3h0m h PRO 21 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3h0m h PRO 21 CO 0.59 0.34 0.23 -0.22 -0.21 0.00 0.00 178.00 178.72 3h0m h LYS 22 N 0.53 1.15 -0.20 1.05 3.64 -1.90 -1.90 116.57 118.94 3h0m h LYS 22 Ca 0.59 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3h0m h LYS 22 Cb 1.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3h0m h LYS 22 CO -0.35 0.98 0.03 0.93 -2.27 0.00 0.00 179.45 178.77 3h0m h GLU 23 N 1.10 0.34 -0.38 1.90 5.08 -1.68 0.50 114.58 121.44 3h0m h GLU 23 Ca 0.24 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3h0m h GLU 23 Cb 0.32 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 3h0m h GLU 23 CO -0.01 0.49 -0.32 0.28 -1.00 0.00 0.00 179.01 178.46 3h0m h VAL 24 N 0.13 0.24 -0.47 3.13 2.07 -1.32 0.36 116.25 120.40 3h0m h VAL 24 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3h0m h VAL 24 Cb 0.32 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3h0m h VAL 24 CO 0.00 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.46 3h0m h VAL 25 N -0.26 1.06 -0.57 2.57 2.07 -1.19 -2.31 116.25 117.64 3h0m h VAL 25 Ca 0.17 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.56 3h0m h VAL 25 Cb 0.53 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3h0m h VAL 25 CO -0.52 0.10 0.26 -0.33 0.02 0.00 0.00 177.57 177.10 3h0m h GLU 26 N 0.58 0.47 0.15 1.57 5.08 0.00 0.64 114.58 123.07 3h0m h GLU 26 Ca 0.18 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3h0m h GLU 26 Cb -0.01 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3h0m h GLU 26 CO -0.07 0.31 -0.40 1.03 -1.00 0.00 0.00 179.01 178.88 3h0m h SER 27 N 0.49 -1.17 -0.03 1.42 0.87 0.12 -0.12 113.55 115.12 3h0m h SER 27 Ca 0.27 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.90 3h0m h SER 27 Cb 0.24 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3h0m h SER 27 CO -0.22 -0.48 -0.13 -0.26 -0.53 0.00 0.00 176.83 175.21 3h0m h PHE 28 N -0.65 0.35 -0.53 2.24 0.04 -1.26 -2.27 116.94 114.86 3h0m h PHE 28 Ca 0.02 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3h0m h PHE 28 Cb 0.67 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3h0m h PHE 28 CO -0.34 0.46 0.25 -0.92 -0.60 0.00 0.00 178.31 177.16 3h0m h TYR 29 N 0.31 0.78 -0.13 -0.55 3.20 -0.44 0.32 116.97 120.46 3h0m h TYR 29 Ca 0.06 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3h0m h TYR 29 Cb 0.42 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3h0m h TYR 29 CO 0.01 0.61 0.04 -0.44 -1.64 0.00 0.00 178.16 176.75 3h0m h ASP 30 N 0.71 0.18 -0.00 -2.11 3.32 -0.63 0.49 116.42 118.38 3h0m h ASP 30 Ca 0.18 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3h0m h ASP 30 Cb 0.14 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3h0m h ASP 30 CO -0.02 0.32 -0.07 -0.09 -1.72 0.00 0.00 179.24 177.66 3h0m h ARG 31 N 0.03 0.18 -0.11 3.56 2.43 -1.20 0.32 114.38 119.59 3h0m h ARG 31 Ca 0.04 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3h0m h ARG 31 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3h0m h ARG 31 CO -0.00 0.27 -0.01 -0.92 -1.51 0.00 0.00 179.97 177.80 3h0m h TYR 32 N 0.18 -0.02 -0.75 2.20 3.20 -0.02 -1.89 116.97 119.87 3h0m h TYR 32 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3h0m h TYR 32 Cb 0.25 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3h0m h TYR 32 CO 0.00 -0.02 0.43 -0.91 -1.64 0.00 0.00 178.16 176.02 3h0m h ASN 33 N 0.03 0.92 -0.88 -2.11 2.35 0.15 0.26 115.58 116.30 3h0m h ASN 33 Ca 0.05 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3h0m h ASN 33 Cb 0.06 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3h0m h ASN 33 CO -0.09 0.73 0.58 1.56 -1.65 0.00 0.00 177.43 178.56 3h0m h GLN 34 N 1.05 1.14 0.00 0.81 4.20 -0.30 -3.38 115.11 118.63 3h0m h GLN 34 Ca 0.27 -0.07 -0.23 0.00 0.06 0.00 0.00 58.65 58.68 3h0m h GLN 34 Cb -0.00 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 3h0m h GLN 34 CO -0.05 0.76 -1.86 -2.37 -0.67 0.00 0.00 178.83 174.64 3h0m n THR 35 N -4.48 0.86 -0.17 -0.54 5.66 -0.73 -4.70 114.28 110.18 3h0m n THR 35 Ca 0.10 -0.44 0.11 0.00 -3.05 0.00 0.00 64.05 60.77 3h0m n THR 35 Cb 0.02 -0.85 0.43 0.00 -1.55 0.00 0.00 70.33 68.39 3h0m n THR 35 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3h0m h GLU 36 N 0.00 0.57 -0.13 1.09 4.57 -0.69 -0.90 114.58 119.08 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 1.65 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3h0m h GLU 36 CO -0.01 0.38 -0.12 1.49 -1.18 0.00 0.00 179.01 179.56 3h0m h GLU 37 N 0.59 0.20 0.00 1.92 4.81 -1.83 0.25 114.58 120.51 3h0m h GLU 37 Ca 0.35 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3h0m h GLU 37 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3h0m h GLU 37 CO -0.12 0.34 -0.29 0.87 -0.73 0.00 0.00 179.01 179.08 3h0m h LYS 38 N 0.19 0.00 0.00 1.92 1.57 -1.52 -3.42 116.57 115.31 3h0m h LYS 38 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3h0m h LYS 38 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3h0m h LYS 38 CO 0.02 0.94 -0.12 0.28 -0.57 0.00 0.00 179.45 180.01 3h0m h VAL 39 N -1.00 1.47 -4.46 0.50 2.07 -1.28 -3.42 116.25 110.14 3h0m h VAL 39 Ca -0.08 -2.15 -0.20 0.00 0.82 0.00 0.00 66.70 65.10 3h0m h VAL 39 Cb 1.02 2.82 0.12 0.00 -1.52 0.00 0.00 31.29 33.73 3h0m h VAL 39 CO -0.05 0.50 -0.52 0.29 0.02 0.00 0.00 177.57 177.81 3h0m n LYS 40 N -4.62 -3.25 0.02 1.57 5.02 0.07 -0.74 118.16 116.24 3h0m n LYS 40 Ca -0.11 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 56.66 3h0m n LYS 40 Cb 0.43 -4.56 0.08 0.00 -0.02 0.00 0.00 35.03 30.97 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 0.35 0.75 -3.20 7.82 0.00 -1.88 -3.38 119.26 119.72 3h0m h ALA 41 Ca -0.39 -0.51 -0.65 0.00 0.00 0.00 0.00 54.91 53.36 3h0m h ALA 41 Cb 1.21 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 3h0m h ALA 41 CO 0.31 0.69 -0.60 0.71 0.00 0.00 0.00 179.25 180.36 3h0m s TYR 42 N -3.97 3.20 -0.20 0.00 1.51 -1.26 0.11 117.35 116.73 3h0m s TYR 42 Ca -0.07 0.13 -0.16 0.00 -1.01 0.00 0.00 57.07 55.96 3h0m s TYR 42 Cb 0.12 -1.68 -0.19 0.00 -0.11 0.00 0.00 41.96 40.09 3h0m s TYR 42 CO 0.83 0.52 0.13 -0.89 -1.11 0.00 0.00 175.55 175.03 3h0m n ILE 43 N 0.99 1.58 -3.75 2.71 5.41 0.18 -4.70 119.36 121.78 3h0m n ILE 43 Ca -0.12 -0.24 -0.29 0.00 1.00 0.00 0.00 62.75 63.10 3h0m n ILE 43 Cb 0.52 -1.93 -0.15 0.00 -0.71 0.00 0.00 39.64 37.37 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 -2.43 0.82 0.24 1.39 2.01 -0.76 -4.98 115.64 111.93 3h0m s THR 44 Ca -0.29 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.29 3h0m s THR 44 Cb 0.08 -1.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.02 3h0m s THR 44 CO 0.61 -0.48 1.11 -2.16 -0.69 0.00 0.00 174.62 173.01 3h0m s PRO 45 N 1.67 4.61 -0.06 4.92 0.04 -1.26 0.59 135.00 145.51 3h0m s PRO 45 Ca 0.05 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.02 3h0m s PRO 45 Cb -0.17 -3.22 0.27 0.00 0.04 0.00 0.00 34.50 31.42 3h0m s PRO 45 CO -0.18 0.13 1.12 1.28 0.04 0.00 0.00 177.00 179.39 3h0m n LEU 46 N 1.72 1.28 -0.28 -3.56 4.77 0.43 -4.80 117.00 116.57 3h0m n LEU 46 Ca 0.01 -2.27 -0.05 0.00 -0.03 0.00 0.00 56.01 53.67 3h0m n LEU 46 Cb 0.45 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3h0m n LEU 46 CO 0.54 0.64 1.10 1.88 -1.33 0.00 0.00 177.39 180.22 3h0m h TYR 47 N 0.51 1.07 -0.39 -1.77 -1.99 -1.81 0.90 116.97 113.49 3h0m h TYR 47 Ca -0.07 -0.04 0.08 0.00 2.00 0.00 0.00 58.73 60.70 3h0m h TYR 47 Cb 1.40 -0.34 -0.09 0.00 2.00 0.00 0.00 36.73 39.71 3h0m h TYR 47 CO 0.23 0.77 -0.33 0.78 -0.00 0.00 0.00 178.16 179.60 3h0m h GLY 48 N 1.06 -0.28 1.70 3.88 0.00 -1.91 0.27 103.07 107.79 3h0m h GLY 48 Ca 0.27 0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.90 3h0m h GLY 48 CO -0.04 -0.21 -0.47 1.70 0.00 0.00 0.00 176.54 177.53 3h0m h LYS 49 N -0.27 0.32 -0.50 4.80 3.64 -1.80 -2.86 116.57 119.91 3h0m h LYS 49 Ca 0.17 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3h0m h LYS 49 Cb 0.54 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3h0m h LYS 49 CO -0.53 0.73 -0.14 0.00 -2.27 0.00 0.00 179.45 177.23 3h0m h ALA 50 N 1.25 0.80 -0.54 5.00 0.00 -0.30 -1.20 119.26 124.27 3h0m h ALA 50 Ca 0.02 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.66 3h0m h ALA 50 Cb 0.92 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3h0m h ALA 50 CO 0.08 0.66 0.09 -0.07 0.00 0.00 0.00 179.25 180.01 3h0m h LEU 51 N 0.85 -0.04 -0.42 0.00 4.07 -0.26 0.35 115.31 119.87 3h0m h LEU 51 Ca 0.13 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 3h0m h LEU 51 Cb 0.70 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 3h0m h LEU 51 CO 0.05 0.00 0.12 0.11 -1.08 0.00 0.00 178.44 177.64 3h0m h LYS 52 N 0.22 0.66 0.00 1.13 1.57 -1.30 -2.97 116.57 115.88 3h0m h LYS 52 Ca 0.27 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3h0m h LYS 52 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h0m h LYS 52 CO -0.37 0.66 -0.23 1.96 -0.57 0.00 0.00 179.45 180.90 3h0m h GLN 53 N 0.54 0.00 -0.52 3.15 4.20 -0.84 -2.79 115.11 118.84 3h0m h GLN 53 Ca 0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3h0m h GLN 53 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3h0m h GLN 53 CO -0.00 0.23 0.07 0.00 -0.67 0.00 0.00 178.83 178.46 3h0m h ALA 54 N 1.77 1.14 -0.87 3.87 0.00 -0.77 -3.00 119.26 121.39 3h0m h ALA 54 Ca -0.00 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h0m h ALA 54 Cb 0.50 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3h0m h ALA 54 CO 0.03 0.57 0.50 0.93 0.00 0.00 0.00 179.25 181.28 3h0m h GLU 55 N 0.79 0.78 -0.01 0.00 5.08 -1.48 -1.95 114.58 117.79 3h0m h GLU 55 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h0m h GLU 55 Cb 0.38 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3h0m h GLU 55 CO 0.01 0.52 -0.06 -1.13 -1.00 0.00 0.00 179.01 177.35 3h0m n SER 56 N -4.74 1.23 -4.66 1.42 3.41 -1.14 -4.84 113.62 104.30 3h0m n SER 56 Ca 0.16 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.06 3h0m n SER 56 Cb 0.33 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.13 4.13 0.00 1.04 0.20 -0.73 -4.89 118.68 116.29 3h0m s LEU 57 Ca 0.35 1.30 0.00 0.00 0.69 0.00 0.00 54.13 56.48 3h0m s LEU 57 Cb 0.21 -3.43 0.00 0.00 -0.43 0.00 0.00 46.19 42.54 3h0m s LEU 57 CO 0.38 -0.57 0.00 0.29 -0.29 0.00 0.00 176.35 176.17 3h0m n LYS 58 N 5.90 0.00 -2.06 1.98 5.02 -1.26 -4.95 118.16 122.79 3h0m n LYS 58 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 3h0m n LYS 58 Cb 0.47 -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 -1.78 3.06 0.37 1.97 2.12 -1.26 -4.86 118.70 118.32 3h0m s GLU 59 Ca 0.00 1.02 0.19 0.00 0.36 0.00 0.00 54.97 56.54 3h0m s GLU 59 Cb 0.00 -4.26 0.63 0.00 0.26 0.00 0.00 34.13 30.76 3h0m s GLU 59 CO 0.00 -2.19 1.71 0.00 -0.54 0.00 0.00 175.26 174.23 3h0m h ARG 60 N 13.50 0.00 0.00 4.30 3.08 -1.95 -3.19 114.38 130.12 3h0m h ARG 60 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 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 1.12 0.37 0.00 -1.91 -1.07 0.00 0.00 179.97 178.48 3h0m n GLU 61 N -3.47 0.53 -1.77 0.04 2.13 -1.26 -4.64 120.64 112.21 3h0m n GLU 61 Ca 0.00 0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.43 3h0m n GLU 61 Cb 0.53 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 3h0m n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3h0m s LEU 62 N -2.37 4.36 0.46 4.31 1.02 -1.21 -4.87 118.68 120.39 3h0m s LEU 62 Ca 0.30 2.87 0.28 0.00 0.02 0.00 0.00 54.13 57.59 3h0m s LEU 62 Cb 0.18 -3.61 1.33 0.00 0.02 0.00 0.00 46.19 44.11 3h0m s LEU 62 CO 0.36 -0.94 1.77 -0.65 0.02 0.00 0.00 176.35 176.91 3h0m h PRO 63 N 6.18 0.19 -0.15 1.29 0.11 -1.87 0.99 132.00 138.74 3h0m h PRO 63 Ca -0.44 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 3h0m h PRO 63 Cb 1.21 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 3h0m h PRO 63 CO 0.90 0.13 -0.60 1.28 -0.21 0.00 0.00 178.00 179.49 3h0m n LEU 64 N -4.44 3.03 -0.16 2.35 4.77 0.80 -4.99 117.00 118.35 3h0m n LEU 64 Ca 0.27 -3.95 -0.04 0.00 -0.03 0.00 0.00 56.01 52.25 3h0m n LEU 64 Cb 1.10 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 3h0m n LEU 64 CO 0.31 1.49 0.19 0.33 -1.33 0.00 0.00 177.39 178.38 3h0m n PHE 65 N -0.94 -0.17 -1.08 -1.77 7.35 0.34 -1.19 117.46 120.00 3h0m n PHE 65 Ca 0.23 0.49 0.09 0.00 -0.76 0.00 0.00 57.45 57.50 3h0m n PHE 65 Cb 0.77 -0.53 0.17 0.00 0.35 0.00 0.00 39.48 40.24 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 -1.10 4.73 3.64 7.13 0.00 -1.26 -4.41 105.19 113.93 3h0m n GLY 66 Ca 0.01 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.89 4.84 0.47 -0.61 -1.09 -0.33 -4.76 121.20 116.83 3h0m s ILE 67 Ca 0.34 1.54 -0.24 0.00 -2.23 0.00 0.00 60.65 60.07 3h0m s ILE 67 Cb 0.30 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 3h0m s ILE 67 CO 0.04 -0.07 1.28 -2.84 -1.23 0.00 0.00 174.94 172.12 3h0m s PRO 68 N 2.83 3.62 -0.10 2.79 0.02 -1.26 -0.39 135.00 142.51 3h0m s PRO 68 Ca 0.34 2.07 -0.05 0.00 0.02 0.00 0.00 61.00 63.39 3h0m s PRO 68 Cb -0.15 -2.48 0.05 0.00 0.02 0.00 0.00 34.50 31.94 3h0m s PRO 68 CO 0.07 -0.75 0.24 -1.50 -0.33 0.00 0.00 177.00 174.73 3h0m s ILE 69 N -1.36 -0.08 0.42 2.83 2.07 -0.56 -4.45 121.20 120.07 3h0m s ILE 69 Ca 0.64 0.17 -0.12 0.00 -1.41 0.00 0.00 60.65 59.92 3h0m s ILE 69 Cb -0.36 -0.38 -0.07 0.00 0.13 0.00 0.00 42.46 41.78 3h0m s ILE 69 CO 0.44 0.07 0.82 0.00 -1.91 0.00 0.00 174.94 174.36 3h0m s ALA 70 N 1.38 3.28 -0.02 1.50 0.00 -1.16 -1.56 121.76 125.17 3h0m s ALA 70 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3h0m s ALA 70 Cb -0.11 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.22 3h0m s ALA 70 CO -0.08 -0.03 -0.01 0.08 0.00 0.00 0.00 175.76 175.72 3h0m s VAL 71 N -2.39 0.20 0.49 0.00 1.01 -0.73 -1.74 120.40 117.25 3h0m s VAL 71 Ca 0.53 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 3h0m s VAL 71 Cb -0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.97 3h0m s VAL 71 CO 0.30 0.11 1.36 -0.75 0.00 0.00 0.00 175.10 176.11 3h0m s LYS 72 N 0.52 3.46 -0.11 2.72 2.20 -0.92 -0.17 119.74 127.44 3h0m s LYS 72 Ca -0.05 2.25 0.01 0.00 -0.36 0.00 0.00 55.97 57.82 3h0m s LYS 72 Cb -0.08 -2.46 0.16 0.00 -1.51 0.00 0.00 37.83 33.94 3h0m s LYS 72 CO -0.01 -0.94 1.29 -3.47 -0.36 0.00 0.00 175.35 171.86 3h0m n ASP 73 N -0.58 3.42 -0.18 1.43 2.03 -1.00 -1.73 116.55 119.94 3h0m n ASP 73 Ca 0.08 -2.42 0.02 0.00 0.52 0.00 0.00 54.79 52.99 3h0m n ASP 73 Cb 0.44 -0.63 0.04 0.00 -0.72 0.00 0.00 41.12 40.25 3h0m n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h0m n ASN 74 N 0.18 2.07 -4.42 1.67 6.94 -1.26 -0.37 115.26 120.07 3h0m n ASN 74 Ca 0.14 -1.82 -0.35 0.00 -0.02 0.00 0.00 54.58 52.54 3h0m n ASN 74 Cb 0.76 -0.06 -0.13 0.00 -2.36 0.00 0.00 39.78 38.00 3h0m n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3h0m s ILE 75 N -0.85 3.75 -0.03 1.53 1.01 -0.70 -0.91 121.20 125.00 3h0m s ILE 75 Ca 0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3h0m s ILE 75 Cb 0.04 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3h0m s ILE 75 CO 0.05 0.44 1.33 -0.76 0.00 0.00 0.00 174.94 176.00 3h0m s LEU 76 N 0.98 4.29 -0.18 2.97 1.02 -0.48 -4.90 118.68 122.39 3h0m s LEU 76 Ca 0.01 1.98 0.01 0.00 0.02 0.00 0.00 54.13 56.15 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 0.01 -0.68 -0.18 -0.69 0.02 0.00 0.00 176.35 174.83 3h0m s VAL 77 N 2.48 2.23 0.24 -1.59 1.01 -1.26 -1.21 120.40 122.31 3h0m s VAL 77 Ca 0.61 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3h0m s VAL 77 Cb -0.28 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 3h0m s VAL 77 CO 0.24 0.53 1.34 -0.70 0.00 0.00 0.00 175.10 176.50 3h0m s GLU 78 N 1.23 4.36 0.00 2.72 2.12 -1.24 -2.52 118.70 125.37 3h0m s GLU 78 Ca 0.03 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.51 3h0m s GLU 78 Cb -0.14 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3h0m s GLU 78 CO -0.10 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 3h0m n GLY 79 N 1.93 2.75 3.58 -1.50 0.00 -0.22 -4.97 105.19 106.76 3h0m n GLY 79 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 2.10 0.33 1.61 0.41 -1.05 -4.81 118.70 116.70 3h0m s GLU 80 Ca 0.00 -1.26 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 3h0m s GLU 80 Cb 0.00 -2.18 -0.12 0.00 -1.78 0.00 0.00 34.13 30.06 3h0m s GLU 80 CO 0.00 0.43 1.49 1.63 -0.49 0.00 0.00 175.26 178.32 3h0m n LYS 81 N -0.00 2.55 -3.92 1.61 5.02 -1.26 -1.97 118.16 120.19 3h0m n LYS 81 Ca -0.10 0.90 -0.30 0.00 -2.02 0.00 0.00 58.31 56.78 3h0m n LYS 81 Cb 0.55 -2.62 -0.15 0.00 -0.02 0.00 0.00 35.03 32.80 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 -0.66 1.62 -0.08 -0.18 2.01 -0.62 -4.86 115.64 112.88 3h0m s THR 82 Ca 0.58 -1.60 0.21 0.00 0.31 0.00 0.00 61.69 61.20 3h0m s THR 82 Cb -0.51 -2.04 -0.29 0.00 0.01 0.00 0.00 72.50 69.68 3h0m s THR 82 CO 0.57 -0.37 0.49 0.35 -0.69 0.00 0.00 174.62 174.97 3h0m n THR 83 N 4.58 0.32 -2.21 -0.82 -2.24 -1.23 -4.63 114.28 108.06 3h0m n THR 83 Ca -0.05 -0.57 -0.08 0.00 -2.27 0.00 0.00 64.05 61.08 3h0m n THR 83 Cb 0.43 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.85 -1.26 -2.39 0.00 0.00 -1.26 -1.07 120.51 112.68 3h0m n ALA 85 Ca -0.10 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3h0m n ALA 85 Cb 0.51 -4.02 -0.14 0.00 0.00 0.00 0.00 19.45 15.80 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 -3.29 3.43 0.21 0.00 0.15 0.14 -1.71 113.70 112.63 3h0m s SER 86 Ca 0.71 -0.51 -0.10 0.00 0.70 0.00 0.00 55.95 56.76 3h0m s SER 86 Cb -0.37 -0.43 0.18 0.00 -1.71 0.00 0.00 66.02 63.69 3h0m s SER 86 CO 0.88 0.26 1.88 0.11 1.20 0.00 0.00 173.24 177.57 3h0m h LYS 87 N 4.74 0.99 0.00 5.44 1.79 -1.84 -1.86 116.57 125.83 3h0m h LYS 87 Ca -0.47 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 3h0m h LYS 87 Cb 1.15 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3h0m h LYS 87 CO 0.45 0.65 0.00 1.51 -1.08 0.00 0.00 179.45 180.99 3h0m n ILE 88 N -4.57 0.00 -1.96 1.86 3.06 -0.58 -2.40 119.36 114.77 3h0m n ILE 88 Ca 0.08 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.31 3h0m n ILE 88 Cb 0.04 -0.92 -0.02 0.00 0.54 0.00 0.00 39.64 39.28 3h0m n ILE 88 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3h0m n LEU 89 N -0.95 -0.25 -4.79 9.51 7.94 -1.11 -2.02 117.00 125.34 3h0m n LEU 89 Ca 0.01 -1.19 -0.38 0.00 -1.11 0.00 0.00 56.01 53.34 3h0m n LEU 89 Cb 0.01 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3h0m n LEU 89 CO 0.01 1.10 0.52 -1.83 -1.11 0.00 0.00 177.39 176.08 3h0m s GLU 90 N 0.00 4.49 0.00 1.96 -1.05 -0.72 -3.66 118.70 119.72 3h0m s GLU 90 Ca 0.00 1.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 3h0m s GLU 90 Cb 0.00 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 3h0m s GLU 90 CO 0.00 0.43 0.00 0.09 0.95 0.00 0.00 175.26 176.73 3h0m n ASN 91 N 1.00 0.00 -4.60 0.83 3.02 -1.26 -4.68 115.26 109.57 3h0m n ASN 91 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 3h0m n ASN 91 Cb 0.50 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 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 -3.40 2.44 -0.13 3.10 5.36 -1.24 -4.92 117.98 119.20 3h0m s PHE 92 Ca 0.00 0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 56.45 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 -1.95 0.63 0.08 -1.46 0.00 0.00 175.22 172.51 3h0m s VAL 93 N 5.28 5.07 -0.03 3.12 1.01 -1.26 -1.58 120.40 132.01 3h0m s VAL 93 Ca 0.61 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 3h0m s VAL 93 Cb -0.14 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 3h0m s VAL 93 CO 0.31 0.21 1.52 0.00 0.00 0.00 0.00 175.10 177.14 3h0m s ALA 94 N 1.19 3.62 -1.37 5.51 0.00 -0.83 -4.89 121.76 124.99 3h0m s ALA 94 Ca 0.32 0.91 0.28 0.00 0.00 0.00 0.00 51.96 53.47 3h0m s ALA 94 Cb -0.16 -3.67 1.39 0.00 0.00 0.00 0.00 23.12 20.68 3h0m s ALA 94 CO 0.13 -1.15 1.96 -2.30 0.00 0.00 0.00 175.76 174.41 3h0m n PRO 95 N 6.17 0.35 -3.63 0.00 -0.02 -1.26 -1.06 135.00 135.55 3h0m n PRO 95 Ca 0.15 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 3h0m n PRO 95 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.63 -0.23 0.06 6.00 1.13 -1.26 -4.94 117.35 115.47 3h0m s TYR 96 Ca 0.25 -0.07 -0.24 0.00 -1.41 0.00 0.00 57.07 55.59 3h0m s TYR 96 Cb 0.19 0.37 -0.06 0.00 -1.10 0.00 0.00 41.96 41.36 3h0m s TYR 96 CO 0.44 -0.81 0.75 -0.51 -2.51 0.00 0.00 175.55 172.90 3h0m s ASP 97 N -2.82 7.21 0.65 -0.18 1.01 -1.26 -3.63 116.67 117.65 3h0m s ASP 97 Ca 0.05 1.44 -0.18 0.00 0.71 0.00 0.00 52.55 54.58 3h0m s ASP 97 Cb 0.00 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 3h0m s ASP 97 CO -0.09 0.05 1.16 0.00 0.21 0.00 0.00 175.17 176.51 3h0m n ALA 98 N 2.61 0.71 -0.26 5.23 0.00 -0.35 -4.82 120.51 123.64 3h0m n ALA 98 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.42 3h0m n ALA 98 Cb 0.50 -2.24 0.26 0.00 0.00 0.00 0.00 19.45 17.97 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 0.40 1.09 -0.75 0.00 2.02 -1.39 -1.88 112.91 112.40 3h0m h THR 99 Ca -0.50 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 3h0m h THR 99 Cb 1.35 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3h0m h THR 99 CO 0.52 0.18 0.24 -0.37 0.37 0.00 0.00 175.52 176.45 3h0m h VAL 100 N 0.98 1.26 -0.42 3.16 -1.51 -1.87 -1.32 116.25 116.53 3h0m h VAL 100 Ca 0.35 -0.91 -0.11 0.00 -1.23 0.00 0.00 66.70 64.80 3h0m h VAL 100 Cb 0.13 0.43 -0.02 0.00 -2.13 0.00 0.00 31.29 29.71 3h0m h VAL 100 CO -0.12 0.36 -0.19 0.40 -1.23 0.00 0.00 177.57 176.80 3h0m h ILE 101 N 1.11 1.27 -0.75 7.19 1.08 -1.74 0.13 117.51 125.80 3h0m h ILE 101 Ca 0.24 -1.30 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 3h0m h ILE 101 Cb 0.30 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 3h0m h ILE 101 CO -0.01 0.44 0.47 -0.08 -0.69 0.00 0.00 178.15 178.28 3h0m h GLU 102 N 0.72 0.89 0.00 2.37 4.81 -1.07 -0.53 114.58 121.77 3h0m h GLU 102 Ca 0.11 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.08 3h0m h GLU 102 Cb 0.70 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3h0m h GLU 102 CO 0.05 0.59 -0.89 0.00 -0.73 0.00 0.00 179.01 178.03 3h0m h ARG 103 N 0.92 0.25 -0.20 1.92 3.08 -0.63 -1.66 114.38 118.07 3h0m h ARG 103 Ca 0.30 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3h0m h ARG 103 Cb 0.02 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3h0m h ARG 103 CO -0.11 0.99 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.61 3h0m h LEU 104 N 0.14 0.42 -0.95 3.04 3.38 -0.67 -2.57 115.31 118.11 3h0m h LEU 104 Ca -0.05 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.54 3h0m h LEU 104 Cb 1.53 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 3h0m h LEU 104 CO 0.14 0.74 0.62 0.11 0.09 0.00 0.00 178.44 180.14 3h0m h LYS 105 N 0.11 1.17 0.00 1.13 1.57 -1.05 0.68 116.57 120.18 3h0m h LYS 105 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3h0m h LYS 105 Cb 0.58 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3h0m h LYS 105 CO 0.03 0.78 0.00 -0.22 -0.57 0.00 0.00 179.45 179.47 3h0m h LYS 106 N 1.21 0.00 -0.14 3.15 3.64 -1.31 -2.56 116.57 120.56 3h0m h LYS 106 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3h0m h LYS 106 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3h0m h LYS 106 CO -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.07 3h0m n ALA 107 N -2.09 2.51 -0.14 5.00 0.00 0.15 -4.93 120.51 121.01 3h0m n ALA 107 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3h0m n ALA 107 Cb 0.28 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.23 0.77 3.66 0.00 0.00 -0.97 -0.14 105.19 109.75 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 s ALA 109 N -2.44 1.29 -0.21 4.61 0.00 -0.73 -4.24 121.76 120.04 3h0m s ALA 109 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3h0m s ALA 109 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.79 3h0m s ALA 109 CO 0.00 -2.76 -0.06 -0.51 0.00 0.00 0.00 175.76 172.43 3h0m s LEU 110 N -6.58 2.21 -0.19 0.00 1.43 0.48 -4.62 118.68 111.41 3h0m s LEU 110 Ca 0.66 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 3h0m s LEU 110 Cb -0.22 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3h0m s LEU 110 CO 0.59 -0.20 1.61 -0.63 0.23 0.00 0.00 176.35 177.94 3h0m s ILE 111 N 1.47 3.70 -1.01 -0.59 1.09 -1.26 -1.50 121.20 123.10 3h0m s ILE 111 Ca -0.03 0.80 0.21 0.00 -1.10 0.00 0.00 60.65 60.53 3h0m s ILE 111 Cb -0.17 -3.67 -0.22 0.00 -1.06 0.00 0.00 42.46 37.34 3h0m s ILE 111 CO -0.07 -0.24 0.92 0.55 -0.10 0.00 0.00 174.94 176.00 3h0m n VAL 112 N 6.20 0.00 0.00 2.92 3.14 -0.60 -4.57 118.33 125.42 3h0m n VAL 112 Ca 0.18 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 3h0m n VAL 112 Cb 0.45 0.97 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 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 1.50 1.65 3.37 7.55 0.00 -1.26 -0.43 105.19 117.57 3h0m n GLY 113 Ca 0.04 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 3.46 0.09 1.61 -0.14 0.20 -1.77 119.74 121.18 3h0m s LYS 114 Ca 0.00 -0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 53.97 3h0m s LYS 114 Cb 0.00 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 33.16 3h0m s LYS 114 CO 0.00 -0.04 0.29 0.99 -0.76 0.00 0.00 175.35 175.83 3h0m s THR 115 N 1.07 5.28 0.66 2.17 2.01 0.76 0.49 115.64 128.08 3h0m s THR 115 Ca 0.01 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 3h0m s THR 115 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3h0m s THR 115 CO -0.00 0.14 1.12 0.21 -0.69 0.00 0.00 174.62 175.39 3h0m s ASN 116 N -2.32 5.04 0.22 3.53 2.47 0.30 -2.36 114.94 121.81 3h0m s ASN 116 Ca 0.36 2.02 -0.19 0.00 0.42 0.00 0.00 52.86 55.47 3h0m s ASN 116 Cb -0.13 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 3h0m s ASN 116 CO 0.24 -1.68 0.58 -1.48 -3.72 0.00 0.00 177.10 171.04 3h0m s LEU 117 N -4.90 -0.06 0.53 3.21 2.34 -1.26 -2.40 118.68 116.14 3h0m s LEU 117 Ca 0.67 -0.50 -0.22 0.00 0.06 0.00 0.00 54.13 54.15 3h0m s LEU 117 Cb -0.21 2.31 -0.05 0.00 -0.56 0.00 0.00 46.19 47.68 3h0m s LEU 117 CO 0.42 -1.13 1.32 -1.81 -1.06 0.00 0.00 176.35 174.09 3h0m s ASP 118 N -2.88 5.43 0.05 1.48 1.01 -1.13 -3.19 116.67 117.45 3h0m s ASP 118 Ca 0.10 2.66 -0.33 0.00 0.71 0.00 0.00 52.55 55.70 3h0m s ASP 118 Cb -0.02 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 3h0m s ASP 118 CO -0.00 -1.45 1.82 1.21 0.21 0.00 0.00 175.17 176.95 3h0m n GLU 119 N -0.95 2.48 -2.02 8.23 2.13 -0.92 -0.63 120.64 128.96 3h0m n GLU 119 Ca 0.10 0.90 -0.19 0.00 0.66 0.00 0.00 57.16 58.64 3h0m n GLU 119 Cb 0.46 -2.77 -0.04 0.00 0.27 0.00 0.00 31.44 29.36 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 5.75 -0.66 -1.55 4.31 3.72 -0.23 -2.36 117.46 126.44 3h0m n PHE 120 Ca 0.20 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.49 3h0m n PHE 120 Cb 0.34 -3.48 -0.03 0.00 -0.94 0.00 0.00 39.48 35.36 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 -0.63 -0.20 -3.38 4.37 0.00 0.19 -4.81 120.51 116.05 3h0m n ALA 121 Ca -0.21 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 3h0m n ALA 121 Cb 0.65 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.34 2.52 0.00 0.00 -1.94 -0.99 -4.66 119.30 110.89 3h0m s MET 122 Ca 0.00 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 3h0m s MET 122 Cb 0.00 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 33.08 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 4.87 2.10 0.16 -0.03 0.00 -1.26 -4.51 105.19 106.52 3h0m n GLY 123 Ca -0.09 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.36 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 1.78 0.00 1.61 7.64 -1.26 -2.23 113.62 121.16 3h0m n SER 124 Ca 0.00 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.12 3h0m n SER 124 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.06 0.00 0.00 6.43 3.41 -1.24 -1.08 113.62 120.09 3h0m n SER 125 Ca 0.11 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3h0m n SER 125 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.07 6.66 -1.04 -1.12 -4.19 114.28 114.66 3h0m n THR 126 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3h0m n THR 126 Cb 0.01 -0.02 0.74 0.00 -1.82 0.00 0.00 70.33 69.25 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 1.63 0.00 -0.11 -2.82 5.08 -1.89 -1.48 114.58 114.98 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 -3.87 0.14 -1.65 4.33 4.01 -1.26 -4.75 117.16 114.12 3h0m n TYR 128 Ca 0.08 -0.07 -0.50 0.00 -0.16 0.00 0.00 57.90 57.24 3h0m n TYR 128 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.08 2.47 0.00 7.72 2.88 -0.56 -2.16 113.62 123.90 3h0m n SER 129 Ca 0.15 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.82 3h0m n SER 129 Cb 0.23 -1.29 0.24 0.00 -0.75 0.00 0.00 64.21 62.64 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 3.75 1.49 -0.10 -1.46 0.00 -0.69 -3.93 120.51 119.57 3h0m n ALA 130 Ca 0.20 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 3h0m n ALA 130 Cb 0.23 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.52 0.00 -3.62 0.00 3.72 -1.26 -4.92 117.46 109.85 3h0m n PHE 131 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 3h0m n PHE 131 Cb 0.13 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 37.90 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 -2.39 -0.13 0.29 1.38 -0.71 -1.25 -5.15 117.98 110.02 3h0m s PHE 132 Ca -0.29 0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 55.52 3h0m s PHE 132 Cb 0.11 0.48 -0.10 0.00 -1.21 0.00 0.00 43.02 42.30 3h0m s PHE 132 CO 0.36 -0.12 1.26 -1.25 -1.34 0.00 0.00 175.22 174.14 3h0m s PRO 133 N -1.08 4.42 0.29 1.99 0.04 -1.26 -4.71 135.00 134.69 3h0m s PRO 133 Ca 0.06 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 3h0m s PRO 133 Cb -0.01 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 3h0m s PRO 133 CO -0.05 -0.11 0.76 0.99 0.04 0.00 0.00 177.00 178.62 3h0m s THR 134 N -0.87 4.59 0.01 1.26 2.01 -1.26 -4.82 115.64 116.54 3h0m s THR 134 Ca 0.50 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.74 3h0m s THR 134 Cb -0.37 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 3h0m s THR 134 CO 0.47 -0.01 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.68 3h0m s LYS 135 N -2.51 2.21 -0.13 4.92 1.02 0.08 -4.34 119.74 120.99 3h0m s LYS 135 Ca 0.50 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 3h0m s LYS 135 Cb -0.13 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 3h0m s LYS 135 CO 0.19 0.57 1.76 1.21 -0.92 0.00 0.00 175.35 178.16 3h0m s ASN 136 N -1.14 6.36 0.00 2.83 3.84 0.20 -4.72 114.94 122.31 3h0m s ASN 136 Ca 0.13 2.02 0.03 0.00 0.21 0.00 0.00 52.86 55.25 3h0m s ASN 136 Cb -0.10 -2.53 0.14 0.00 -0.55 0.00 0.00 41.25 38.21 3h0m s ASN 136 CO 0.03 -1.21 1.08 -0.81 -2.79 0.00 0.00 177.10 173.40 3h0m n PRO 137 N 7.62 0.01 0.01 0.43 -0.04 -1.26 -1.21 135.00 140.56 3h0m n PRO 137 Ca 0.20 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 3h0m n PRO 137 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.47 0.12 -3.15 0.54 7.02 -1.26 -4.12 117.44 115.11 3h0m n TRP 138 Ca 0.01 0.03 0.05 0.00 -1.02 0.00 0.00 57.50 56.57 3h0m n TRP 138 Cb 0.04 -0.28 -0.01 0.00 -2.42 0.00 0.00 31.31 28.64 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 -3.55 -0.65 0.00 -0.99 2.15 -0.35 -4.92 116.67 108.36 3h0m s ASP 139 Ca 0.05 0.27 0.15 0.00 0.43 0.00 0.00 52.55 53.44 3h0m s ASP 139 Cb 0.15 1.49 0.83 0.00 -0.30 0.00 0.00 42.92 45.09 3h0m s ASP 139 CO 0.82 -0.12 1.34 0.18 -0.17 0.00 0.00 175.17 177.21 3h0m n LEU 140 N 5.36 0.00 -0.02 -1.34 4.77 -0.84 0.43 117.00 125.36 3h0m n LEU 140 Ca -0.00 0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.23 3h0m n LEU 140 Cb 0.55 -0.11 0.74 0.00 -2.33 0.00 0.00 43.42 42.27 3h0m n LEU 140 CO -0.10 -0.06 1.00 -0.62 -1.33 0.00 0.00 177.39 176.28 3h0m n GLU 141 N -1.11 0.47 -4.40 3.23 1.02 -1.26 -4.71 120.64 113.88 3h0m n GLU 141 Ca 0.10 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 3h0m n GLU 141 Cb 0.07 -1.50 -0.11 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 -2.55 1.66 0.39 3.49 0.52 0.17 -3.28 118.95 119.35 3h0m s ARG 142 Ca 0.29 -1.51 -0.23 0.00 -0.52 0.00 0.00 55.73 53.75 3h0m s ARG 142 Cb 0.20 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.67 3h0m s ARG 142 CO 0.46 0.39 0.96 0.14 0.02 0.00 0.00 175.30 177.28 3h0m s VAL 143 N -1.82 4.24 -2.12 3.52 -7.23 -0.69 -0.63 120.40 115.66 3h0m s VAL 143 Ca 0.23 1.59 0.15 0.00 -1.81 0.00 0.00 61.98 62.14 3h0m s VAL 143 Cb -0.08 -3.76 0.38 0.00 0.56 0.00 0.00 36.38 33.48 3h0m s VAL 143 CO 0.12 -0.11 1.39 -0.81 -0.31 0.00 0.00 175.10 175.38 3h0m n PRO 144 N -0.14 1.75 0.00 4.82 -0.04 -1.26 -4.47 135.00 135.67 3h0m n PRO 144 Ca 0.05 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 3h0m n PRO 144 Cb 0.52 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.08 -0.11 3.56 0.55 0.00 -1.26 -4.38 105.19 104.63 3h0m n GLY 145 Ca 0.14 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.04 -0.27 0.17 -0.02 0.00 -0.24 -2.78 107.32 103.13 3h0m s GLY 146 Ca 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 44.72 44.94 3h0m s GLY 146 CO 0.00 -0.08 0.97 -1.14 0.00 0.00 0.00 173.10 172.85 3h0m n SER 147 N -0.38 0.78 -2.00 1.64 3.41 -0.95 -4.23 113.62 111.89 3h0m n SER 147 Ca -0.11 0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 3h0m n SER 147 Cb 0.62 0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 65.06 3h0m n SER 147 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h0m n SER 148 N -2.67 2.96 -0.02 4.04 7.64 -1.03 -2.82 113.62 121.71 3h0m n SER 148 Ca -0.02 -1.93 -0.12 0.00 1.01 0.00 0.00 58.87 57.82 3h0m n SER 148 Cb 0.59 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 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 4.55 -0.63 1.98 0.23 0.00 -1.69 -2.53 103.07 104.98 3h0m h GLY 149 Ca 0.06 0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 3h0m h GLY 149 CO 0.19 -0.22 -0.25 -1.33 0.00 0.00 0.00 176.54 174.94 3h0m h GLY 150 N -0.45 0.03 1.63 4.60 0.00 -1.68 -0.74 103.07 106.46 3h0m h GLY 150 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 3h0m h GLY 150 CO -0.42 0.02 -0.61 1.76 0.00 0.00 0.00 176.54 177.29 3h0m h SER 151 N 0.02 0.43 0.17 0.19 0.02 -1.68 -1.09 113.55 111.62 3h0m h SER 151 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3h0m h SER 151 Cb 0.46 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3h0m h SER 151 CO 0.03 0.93 -0.08 0.00 -1.14 0.00 0.00 176.83 176.57 3h0m h ALA 152 N 1.07 -0.23 -0.39 3.77 0.00 -1.21 -3.22 119.26 119.04 3h0m h ALA 152 Ca -0.01 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3h0m h ALA 152 Cb 1.13 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 3h0m h ALA 152 CO 0.10 -0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.79 3h0m h ALA 153 N -0.43 -0.05 0.00 0.00 0.00 -1.14 0.37 119.26 118.02 3h0m h ALA 153 Ca -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h0m h ALA 153 Cb 0.50 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3h0m h ALA 153 CO 0.04 -0.65 -0.22 0.66 0.00 0.00 0.00 179.25 179.08 3h0m h SER 154 N -0.20 0.00 0.76 0.00 4.64 -1.34 -0.72 113.55 116.69 3h0m h SER 154 Ca 0.19 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 3h0m h SER 154 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3h0m h SER 154 CO -0.51 0.22 -0.80 0.58 -0.87 0.00 0.00 176.83 175.45 3h0m h VAL 155 N 0.00 1.56 0.04 0.95 2.07 -1.24 -0.91 116.25 118.72 3h0m h VAL 155 Ca -0.00 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 3h0m h VAL 155 Cb 0.40 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3h0m h VAL 155 CO 0.03 0.77 -0.02 0.00 0.02 0.00 0.00 177.57 178.37 3h0m h ALA 156 N 1.17 -0.05 0.00 1.67 0.00 0.28 -2.94 119.26 119.39 3h0m h ALA 156 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h0m h ALA 156 Cb 1.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3h0m h ALA 156 CO 0.11 -0.34 0.00 1.33 0.00 0.00 0.00 179.25 180.34 3h0m n VAL 157 N -4.94 0.55 -2.27 0.00 0.24 -0.40 -4.41 118.33 107.10 3h0m n VAL 157 Ca -0.08 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3h0m n VAL 157 Cb 0.21 -0.74 -0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.97 -1.61 0.00 1.34 4.77 -0.45 -4.89 117.00 114.18 3h0m n LEU 158 Ca 0.05 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 3h0m n LEU 158 Cb 0.33 -1.98 0.32 0.00 -2.33 0.00 0.00 43.42 39.76 3h0m n LEU 158 CO 0.25 -0.12 0.72 -1.54 -1.33 0.00 0.00 177.39 175.37 3h0m n SER 159 N -0.44 0.00 -3.71 -1.43 3.41 -0.58 -4.62 113.62 106.24 3h0m n SER 159 Ca -0.15 0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 58.73 3h0m n SER 159 Cb 0.61 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 3h0m n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0m s ALA 160 N -2.90 -1.11 0.21 7.33 0.00 -1.06 -4.72 121.76 119.51 3h0m s ALA 160 Ca 0.09 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3h0m s ALA 160 Cb 0.09 -0.51 0.14 0.00 0.00 0.00 0.00 23.12 22.85 3h0m s ALA 160 CO 0.25 -0.24 1.48 -1.00 0.00 0.00 0.00 175.76 176.25 3h0m h PRO 161 N 4.88 0.22 -3.66 0.00 0.13 -1.82 -3.32 132.00 128.44 3h0m h PRO 161 Ca -0.28 -0.18 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 3h0m h PRO 161 Cb 1.17 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 3h0m h PRO 161 CO 0.27 0.85 -0.43 0.54 -0.23 0.00 0.00 178.00 179.00 3h0m s VAL 162 N -3.52 0.12 -0.02 1.56 0.11 -1.26 -4.29 120.40 113.09 3h0m s VAL 162 Ca -0.03 -0.99 -0.18 0.00 -2.93 0.00 0.00 61.98 57.85 3h0m s VAL 162 Cb 0.11 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 3h0m s VAL 162 CO 0.81 -0.54 0.38 -0.55 -3.33 0.00 0.00 175.10 171.87 3h0m s SER 163 N -2.19 -0.28 -0.12 3.54 0.15 -0.42 -3.01 113.70 111.36 3h0m s SER 163 Ca -0.04 0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 3h0m s SER 163 Cb -0.00 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 3h0m s SER 163 CO -0.05 -0.48 -0.00 -0.76 1.20 0.00 0.00 173.24 173.15 3h0m s LEU 164 N -1.30 3.51 0.00 3.45 1.02 -0.71 -0.80 118.68 123.85 3h0m s LEU 164 Ca -0.13 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3h0m s LEU 164 Cb -0.04 -1.83 -0.00 0.00 0.02 0.00 0.00 46.19 44.34 3h0m s LEU 164 CO 0.05 0.28 0.02 0.61 0.02 0.00 0.00 176.35 177.33 3h0m n GLY 165 N 2.79 4.00 3.15 -3.19 0.00 -0.66 -2.18 105.19 109.10 3h0m n GLY 165 Ca -0.18 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.23 1.29 -0.18 1.61 1.04 -1.26 -0.99 113.70 113.98 3h0m s SER 166 Ca 0.02 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 55.71 3h0m s SER 166 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.19 3h0m s SER 166 CO 0.02 -0.25 -0.04 -0.62 0.98 0.00 0.00 173.24 173.33 3h0m s ASP 167 N -2.20 2.96 -0.17 7.02 -1.08 0.11 -3.37 116.67 119.95 3h0m s ASP 167 Ca 0.01 -0.75 0.06 0.00 -0.52 0.00 0.00 52.55 51.35 3h0m s ASP 167 Cb -0.05 -0.90 -0.14 0.00 -1.46 0.00 0.00 42.92 40.37 3h0m s ASP 167 CO -0.00 -0.21 -0.08 0.41 0.52 0.00 0.00 175.17 175.81 3h0m n THR 168 N 4.88 1.03 -2.53 1.71 -1.04 -1.26 -1.93 114.28 115.13 3h0m n THR 168 Ca -0.11 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.05 61.41 3h0m n THR 168 Cb 0.47 -0.94 0.03 0.00 -1.82 0.00 0.00 70.33 68.07 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 2.42 1.33 0.00 3.41 0.00 -1.26 -4.69 105.19 106.40 3h0m n GLY 169 Ca -0.29 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.32 1.69 0.00 -0.02 0.00 -1.26 -3.61 105.19 101.67 3h0m n GLY 170 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.13 1.61 7.64 -1.26 -1.38 113.62 120.10 3h0m n SER 171 Ca 0.00 -0.02 -0.27 0.00 1.01 0.00 0.00 58.87 59.59 3h0m n SER 171 Cb 0.00 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.31 1.51 -0.19 0.44 5.41 -1.22 -2.48 119.36 121.52 3h0m n ILE 172 Ca 0.12 -0.31 -0.07 0.00 1.00 0.00 0.00 62.75 63.49 3h0m n ILE 172 Cb 0.23 -1.94 0.03 0.00 -0.71 0.00 0.00 39.64 37.25 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 -0.99 0.73 -0.13 0.38 3.08 -1.78 -0.42 114.38 115.25 3h0m h ARG 173 Ca -0.61 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.17 3h0m h ARG 173 Cb 1.53 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.42 3h0m h ARG 173 CO -0.37 0.48 -0.81 -0.56 -1.07 0.00 0.00 179.97 177.65 3h0m h GLN 174 N 0.75 0.75 -0.92 0.04 -0.00 -1.54 -0.14 115.11 114.06 3h0m h GLN 174 Ca 0.20 -0.64 0.08 0.00 -0.00 0.00 0.00 58.65 58.30 3h0m h GLN 174 Cb -0.09 0.14 -0.06 0.00 -0.00 0.00 0.00 27.48 27.47 3h0m h GLN 174 CO -0.04 1.24 0.59 -1.35 -0.00 0.00 0.00 178.83 179.27 3h0m h PRO 175 N 0.50 0.97 -0.65 0.06 0.11 -1.74 -0.55 132.00 130.70 3h0m h PRO 175 Ca -0.06 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 3h0m h PRO 175 Cb 1.44 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3h0m h PRO 175 CO 0.16 0.64 0.18 0.00 -0.21 0.00 0.00 178.00 178.78 3h0m h ALA 176 N 1.52 1.10 0.70 -0.75 0.00 -0.63 -0.95 119.26 120.25 3h0m h ALA 176 Ca 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h0m h ALA 176 Cb 0.28 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h0m h ALA 176 CO -0.17 0.61 -0.33 1.03 0.00 0.00 0.00 179.25 180.39 3h0m h SER 177 N 0.97 -0.79 -0.69 0.00 0.87 -0.47 -0.57 113.55 112.86 3h0m h SER 177 Ca 0.21 -0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.90 3h0m h SER 177 Cb 0.30 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 3h0m h SER 177 CO -0.00 -0.46 0.46 -0.26 -0.53 0.00 0.00 176.83 176.04 3h0m h PHE 178 N -1.12 0.44 -0.42 2.24 -1.00 -1.07 -2.42 116.94 113.58 3h0m h PHE 178 Ca -0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.70 3h0m h PHE 178 Cb 0.75 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3h0m h PHE 178 CO -0.00 0.18 0.00 0.00 -1.61 0.00 0.00 178.31 176.88 3h0m n GLY 180 N 1.44 -0.05 3.10 0.00 0.00 -0.61 -4.75 105.19 104.31 3h0m n GLY 180 Ca 0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.22 0.48 0.08 1.61 1.01 -0.32 -4.91 120.40 115.13 3h0m s VAL 181 Ca 0.07 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 3h0m s VAL 181 Cb -0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3h0m s VAL 181 CO 0.46 -0.70 1.07 -0.63 0.00 0.00 0.00 175.10 175.30 3h0m s ILE 182 N -2.73 4.30 -0.02 2.22 1.01 0.10 -4.28 121.20 121.81 3h0m s ILE 182 Ca 0.01 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3h0m s ILE 182 Cb -0.01 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.35 3h0m s ILE 182 CO -0.04 0.20 0.01 -0.83 0.00 0.00 0.00 174.94 174.29 3h0m s GLY 183 N 0.56 0.10 -0.07 6.18 0.00 -0.73 -0.79 107.32 112.56 3h0m s GLY 183 Ca 0.52 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.48 3h0m s GLY 183 CO 0.30 0.46 -0.23 -1.50 0.00 0.00 0.00 173.10 172.14 3h0m s ILE 184 N 0.73 2.26 -0.31 0.90 2.07 -0.10 -0.99 121.20 125.76 3h0m s ILE 184 Ca -0.06 -0.99 -0.07 0.00 -1.41 0.00 0.00 60.65 58.12 3h0m s ILE 184 Cb -0.09 -1.84 0.02 0.00 0.13 0.00 0.00 42.46 40.68 3h0m s ILE 184 CO -0.02 0.57 0.10 -0.75 -1.91 0.00 0.00 174.94 172.93 3h0m s LYS 185 N -0.15 2.93 1.17 3.50 2.20 -0.50 -2.14 119.74 126.75 3h0m s LYS 185 Ca -0.03 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.41 3h0m s LYS 185 Cb -0.14 -3.43 0.28 0.00 -1.51 0.00 0.00 37.83 33.03 3h0m s LYS 185 CO 0.04 -0.53 1.15 -1.25 -0.36 0.00 0.00 175.35 174.40 3h0m s PRO 186 N 1.47 -1.00 0.32 4.03 0.04 -1.26 -0.90 135.00 137.71 3h0m s PRO 186 Ca 0.01 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.59 3h0m s PRO 186 Cb -0.18 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 3h0m s PRO 186 CO 0.03 -3.54 1.50 2.41 0.04 0.00 0.00 177.00 177.44 3h0m n THR 187 N -4.62 1.48 -1.66 1.26 -1.04 -1.26 -4.27 114.28 104.16 3h0m n THR 187 Ca 0.14 -0.37 -0.44 0.00 -2.04 0.00 0.00 64.05 61.34 3h0m n THR 187 Cb 0.60 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.29 2.44 0.00 -1.42 9.36 -0.88 -0.55 117.16 127.41 3h0m n TYR 188 Ca 0.06 -0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.02 3h0m n TYR 188 Cb 0.37 -2.76 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 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 4.56 2.02 0.13 2.98 0.00 -1.26 -4.93 105.19 108.68 3h0m n GLY 189 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 1.28 0.00 -5.41 1.61 2.43 -1.16 -1.06 114.38 112.07 3h0m h ARG 190 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 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 0.66 -0.85 0.08 -1.51 0.00 0.00 179.97 178.35 3h0m s VAL 191 N -3.26 1.64 0.45 0.20 1.01 -1.26 -0.56 120.40 118.62 3h0m s VAL 191 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 3h0m s VAL 191 Cb 0.11 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 3h0m s VAL 191 CO 0.76 0.47 1.36 -0.24 0.00 0.00 0.00 175.10 177.45 3h0m n SER 192 N 3.21 2.95 -1.34 3.32 2.88 -1.26 -4.73 113.62 118.66 3h0m n SER 192 Ca -0.19 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.55 3h0m n SER 192 Cb 0.53 -1.56 0.31 0.00 -0.75 0.00 0.00 64.21 62.74 3h0m n SER 192 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h0m n ARG 193 N -0.17 3.39 -2.38 -1.46 1.74 -1.26 -4.75 116.66 111.78 3h0m n ARG 193 Ca 0.06 -2.73 -0.43 0.00 -0.77 0.00 0.00 57.85 53.99 3h0m n ARG 193 Cb 0.41 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.70 2.48 0.00 -1.55 5.04 -1.26 -2.40 117.35 117.96 3h0m s TYR 194 Ca 0.46 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 3h0m s TYR 194 Cb 0.29 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 38.36 3h0m s TYR 194 CO 0.23 -1.90 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 3h0m n GLY 195 N 4.90 0.78 3.52 8.97 0.00 -1.26 -0.94 105.19 121.16 3h0m n GLY 195 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.58 -0.08 0.99 2.96 -1.01 -1.38 118.68 124.74 3h0m s LEU 196 Ca 0.00 -0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 53.16 3h0m s LEU 196 Cb 0.00 -2.19 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 3h0m s LEU 196 CO 0.00 -0.29 2.04 0.52 -1.32 0.00 0.00 176.35 177.30 3h0m n VAL 197 N 5.15 0.58 -2.12 1.68 0.31 -0.08 -4.84 118.33 119.00 3h0m n VAL 197 Ca -0.12 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 3h0m n VAL 197 Cb 0.49 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 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 5.60 3.61 0.00 3.52 0.00 -1.26 -4.95 121.76 128.28 3h0m s ALA 198 Ca 0.94 1.18 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3h0m s ALA 198 Cb -0.49 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.09 3h0m s ALA 198 CO 0.43 -0.64 0.00 0.34 0.00 0.00 0.00 175.76 175.89 3h0m n PHE 199 N 3.40 0.00 -3.85 0.00 7.35 -1.26 -4.77 117.46 118.32 3h0m n PHE 199 Ca 0.10 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.49 3h0m n PHE 199 Cb 0.42 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 -2.93 2.02 0.46 3.13 0.00 -1.26 -2.53 121.76 120.65 3h0m s ALA 200 Ca 0.00 -1.91 0.13 0.00 0.00 0.00 0.00 51.96 50.19 3h0m s ALA 200 Cb 0.00 -1.71 1.09 0.00 0.00 0.00 0.00 23.12 22.50 3h0m s ALA 200 CO 0.00 -1.61 2.07 0.77 0.00 0.00 0.00 175.76 176.99 3h0m h SER 201 N 7.92 0.24 0.53 0.00 0.02 -1.93 0.17 113.55 120.50 3h0m h SER 201 Ca -0.11 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3h0m h SER 201 Cb 1.02 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3h0m h SER 201 CO 0.48 0.17 -0.01 -1.54 -1.14 0.00 0.00 176.83 174.78 3h0m n SER 202 N -4.49 0.05 0.00 3.07 3.41 -1.26 -4.14 113.62 110.26 3h0m n SER 202 Ca 0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3h0m n SER 202 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.25 0.00 -4.73 1.04 4.77 -0.21 -4.96 117.00 111.66 3h0m n LEU 203 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 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 0.00 1.09 0.47 -1.33 0.00 0.00 177.39 177.85 3h0m n ASP 204 N -1.60 3.36 -3.75 -1.43 8.00 0.43 -4.46 116.55 117.10 3h0m n ASP 204 Ca 0.00 1.18 -0.12 0.00 0.71 0.00 0.00 54.79 56.56 3h0m n ASP 204 Cb 0.34 -1.54 -0.12 0.00 -0.02 0.00 0.00 41.12 39.78 3h0m n ASP 204 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h0m s GLN 205 N -1.24 0.29 0.50 -1.24 -1.52 -0.81 -4.88 119.66 110.75 3h0m s GLN 205 Ca 0.60 0.47 -0.22 0.00 -1.95 0.00 0.00 55.36 54.26 3h0m s GLN 205 Cb -0.54 0.05 -0.06 0.00 -0.22 0.00 0.00 33.01 32.24 3h0m s GLN 205 CO 0.56 -0.09 1.19 0.42 -0.25 0.00 0.00 175.29 177.12 3h0m s ILE 206 N 0.63 2.95 0.00 1.08 1.01 -1.26 0.09 121.20 125.70 3h0m s ILE 206 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3h0m s ILE 206 Cb -0.05 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.09 3h0m s ILE 206 CO -0.04 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.47 3h0m n GLY 207 N 0.43 3.57 3.04 6.18 0.00 -0.17 -4.51 105.19 113.74 3h0m n GLY 207 Ca 0.09 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.20 0.79 -0.01 1.61 1.01 -0.91 -1.65 120.40 119.03 3h0m s VAL 208 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3h0m s VAL 208 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3h0m s VAL 208 CO 0.00 0.22 -0.06 -0.36 0.00 0.00 0.00 175.10 174.90 3h0m s PHE 209 N -0.24 2.93 0.33 5.22 0.08 0.02 -0.92 117.98 125.40 3h0m s PHE 209 Ca 0.04 -0.00 -0.17 0.00 0.12 0.00 0.00 56.93 56.91 3h0m s PHE 209 Cb -0.04 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 3h0m s PHE 209 CO -0.00 0.38 0.86 0.20 -0.10 0.00 0.00 175.22 176.56 3h0m s GLY 210 N -1.32 0.31 -0.05 4.36 0.00 0.02 -1.30 107.32 109.35 3h0m s GLY 210 Ca 0.16 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.30 3h0m s GLY 210 CO 0.07 0.49 0.07 0.54 0.00 0.00 0.00 173.10 174.28 3h0m n ARG 211 N -0.58 1.93 -4.89 2.90 1.74 -1.26 -0.72 116.66 115.78 3h0m n ARG 211 Ca -0.07 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.67 3h0m n ARG 211 Cb 0.60 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.29 2.18 0.42 5.56 0.52 -1.26 -4.46 118.95 119.62 3h0m s ARG 212 Ca -0.03 -0.90 0.10 0.00 -0.52 0.00 0.00 55.73 54.37 3h0m s ARG 212 Cb 0.03 -2.19 0.91 0.00 0.52 0.00 0.00 34.95 34.22 3h0m s ARG 212 CO 0.29 0.57 2.02 1.15 0.02 0.00 0.00 175.30 179.36 3h0m h THR 213 N 4.21 1.11 -0.32 0.02 2.02 -1.93 -1.74 112.91 116.28 3h0m h THR 213 Ca -0.46 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 3h0m h THR 213 Cb 1.15 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3h0m h THR 213 CO 0.48 0.13 -0.25 -0.33 0.37 0.00 0.00 175.52 175.92 3h0m h GLU 214 N 0.33 0.62 -0.14 6.66 5.08 -1.95 -0.25 114.58 124.94 3h0m h GLU 214 Ca 0.08 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3h0m h GLU 214 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3h0m h GLU 214 CO -0.01 0.81 0.09 -0.44 -1.00 0.00 0.00 179.01 178.47 3h0m h ASP 215 N 0.55 0.16 -0.38 1.42 3.32 -1.75 -1.84 116.42 117.88 3h0m h ASP 215 Ca 0.08 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3h0m h ASP 215 Cb 0.71 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3h0m h ASP 215 CO 0.05 0.12 0.14 0.58 -1.72 0.00 0.00 179.24 178.42 3h0m h VAL 216 N 0.18 1.20 -0.57 -1.35 2.07 -1.32 -2.45 116.25 114.01 3h0m h VAL 216 Ca 0.05 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3h0m h VAL 216 Cb -0.02 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3h0m h VAL 216 CO -0.01 0.22 0.34 0.00 0.02 0.00 0.00 177.57 178.14 3h0m h ALA 217 N 0.99 1.52 -0.01 1.67 0.00 -0.93 -2.20 119.26 120.31 3h0m h ALA 217 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h0m h ALA 217 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h0m h ALA 217 CO -0.01 0.41 -0.23 1.25 0.00 0.00 0.00 179.25 180.68 3h0m h LEU 218 N 0.79 0.21 -0.75 0.00 5.85 -1.13 -1.95 115.31 118.33 3h0m h LEU 218 Ca 0.21 -0.76 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3h0m h LEU 218 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3h0m h LEU 218 CO -0.04 0.94 0.49 0.58 -0.34 0.00 0.00 178.44 180.08 3h0m h VAL 219 N -0.49 1.17 -0.40 1.05 2.07 -1.38 -1.70 116.25 116.57 3h0m h VAL 219 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3h0m h VAL 219 Cb 0.97 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3h0m h VAL 219 CO 0.04 0.18 0.26 0.25 0.02 0.00 0.00 177.57 178.32 3h0m h LEU 220 N 1.00 0.46 -0.69 2.57 5.85 -1.45 -2.12 115.31 120.93 3h0m h LEU 220 Ca 0.28 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.05 3h0m h LEU 220 Cb -0.09 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 3h0m h LEU 220 CO -0.07 0.35 0.37 -0.08 -0.34 0.00 0.00 178.44 178.67 3h0m h GLU 221 N 0.53 0.64 -0.15 1.25 4.81 -0.82 -1.64 114.58 119.20 3h0m h GLU 221 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3h0m h GLU 221 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3h0m h GLU 221 CO -0.03 0.42 0.04 0.28 -0.73 0.00 0.00 179.01 179.00 3h0m h VAL 222 N 0.66 1.19 0.00 0.32 2.07 -0.94 -3.17 116.25 116.38 3h0m h VAL 222 Ca 0.32 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3h0m h VAL 222 Cb 0.26 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3h0m h VAL 222 CO -0.22 0.18 -0.10 2.30 0.02 0.00 0.00 177.57 179.75 3h0m n ILE 223 N -4.83 0.34 -2.10 4.57 -5.35 -0.83 -4.84 119.36 106.32 3h0m n ILE 223 Ca -0.05 -0.17 -0.28 0.00 -0.27 0.00 0.00 62.75 61.98 3h0m n ILE 223 Cb 0.15 -0.46 0.06 0.00 -1.74 0.00 0.00 39.64 37.65 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 5.13 0.00 7.28 0.01 -0.63 -4.50 113.70 117.08 3h0m s SER 224 Ca 0.11 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.15 3h0m s SER 224 Cb 0.15 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.85 3h0m s SER 224 CO 0.60 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 173.40 3h0m n GLY 225 N -2.94 2.34 3.63 3.44 0.00 0.28 -4.99 105.19 106.95 3h0m n GLY 225 Ca 0.07 -2.01 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 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 0.52 1.77 -4.10 1.61 -0.00 -1.25 -4.43 117.44 111.56 3h0m n TRP 226 Ca 0.00 0.55 -0.27 0.00 -0.00 0.00 0.00 57.50 57.78 3h0m n TRP 226 Cb 0.00 -2.38 -0.17 0.00 -0.00 0.00 0.00 31.31 28.77 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 0.14 2.20 0.59 5.87 2.15 -1.26 -5.01 116.67 121.35 3h0m s ASP 227 Ca 0.70 -0.34 0.36 0.00 0.43 0.00 0.00 52.55 53.70 3h0m s ASP 227 Cb -0.74 -0.91 1.82 0.00 -0.30 0.00 0.00 42.92 42.79 3h0m s ASP 227 CO 0.51 -0.07 2.17 1.05 -0.17 0.00 0.00 175.17 178.66 3h0m h GLU 228 N 7.86 0.00 -0.00 4.34 4.11 -1.97 -1.42 114.58 127.51 3h0m h GLU 228 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3h0m h GLU 228 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h0m h GLU 228 CO 0.45 0.03 -0.02 1.63 0.07 0.00 0.00 179.01 181.17 3h0m n LYS 229 N -3.25 1.03 -3.89 1.06 5.02 -1.26 -4.71 118.16 112.17 3h0m n LYS 229 Ca -0.01 -0.26 -0.29 0.00 -2.02 0.00 0.00 58.31 55.73 3h0m n LYS 229 Cb 0.19 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.14 3.26 0.44 4.39 -1.08 -0.53 -4.81 116.67 116.19 3h0m s ASP 230 Ca 0.40 -0.90 0.15 0.00 -0.52 0.00 0.00 52.55 51.68 3h0m s ASP 230 Cb 0.21 -0.98 0.97 0.00 -1.46 0.00 0.00 42.92 41.66 3h0m s ASP 230 CO 0.39 -0.22 1.97 0.28 0.52 0.00 0.00 175.17 178.11 3h0m h SER 231 N 8.07 0.00 0.36 -0.34 0.02 -1.84 -2.88 113.55 116.94 3h0m h SER 231 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3h0m h SER 231 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3h0m h SER 231 CO 0.40 0.21 -0.54 0.35 -1.14 0.00 0.00 176.83 176.11 3h0m n THR 232 N -4.26 0.00 -2.46 -2.27 -2.24 -1.26 -4.88 114.28 96.91 3h0m n THR 232 Ca -0.02 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3h0m n THR 232 Cb 0.27 0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.91 7.21 0.15 3.42 1.04 -1.09 -4.46 113.70 117.06 3h0m s SER 233 Ca 0.13 2.20 -0.18 0.00 0.48 0.00 0.00 55.95 58.58 3h0m s SER 233 Cb 0.18 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 3h0m s SER 233 CO 0.70 -0.24 0.62 0.00 0.98 0.00 0.00 173.24 175.30 3h0m s ALA 234 N -0.52 3.52 -1.35 5.32 0.00 -0.40 -4.77 121.76 123.55 3h0m s ALA 234 Ca 0.49 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 3h0m s ALA 234 Cb -0.31 -2.67 0.11 0.00 0.00 0.00 0.00 23.12 20.25 3h0m s ALA 234 CO 0.38 0.39 2.15 1.63 0.00 0.00 0.00 175.76 180.30 3h0m n LYS 235 N 1.08 3.73 -4.71 0.00 5.02 -1.26 -3.77 118.16 118.25 3h0m n LYS 235 Ca -0.06 -3.25 -0.25 0.00 -2.02 0.00 0.00 58.31 52.73 3h0m n LYS 235 Cb 0.51 -2.90 -0.16 0.00 -0.02 0.00 0.00 35.03 32.45 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 0.63 1.29 0.46 -0.18 1.01 -1.26 -5.07 120.40 117.28 3h0m s VAL 236 Ca 0.47 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3h0m s VAL 236 Cb 0.13 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 3h0m s VAL 236 CO -0.04 0.39 1.34 -0.81 0.00 0.00 0.00 175.10 175.97 3h0m n PRO 237 N 3.53 1.97 -2.80 2.72 -0.04 -1.26 -4.57 135.00 134.55 3h0m n PRO 237 Ca -0.21 0.71 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 3h0m n PRO 237 Cb 0.52 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 3h0m n PRO 237 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h0m s VAL 238 N -1.22 4.79 0.57 0.52 1.01 -1.26 -5.03 120.40 119.77 3h0m s VAL 238 Ca 0.64 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 64.17 3h0m s VAL 238 Cb -0.47 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3h0m s VAL 238 CO 0.56 -0.09 1.33 -2.84 0.00 0.00 0.00 175.10 174.06 3h0m s PRO 239 N 2.80 3.01 -1.20 2.72 0.02 -1.26 -4.89 135.00 136.21 3h0m s PRO 239 Ca 0.39 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.39 3h0m s PRO 239 Cb -0.16 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 3h0m s PRO 239 CO 0.08 -1.27 1.97 -1.91 -0.33 0.00 0.00 177.00 175.55 3h0m n GLU 240 N -1.24 2.37 0.02 5.54 2.13 -1.26 -4.78 120.64 123.42 3h0m n GLU 240 Ca 0.12 -2.56 -0.00 0.00 0.66 0.00 0.00 57.16 55.37 3h0m n GLU 240 Cb 0.46 -3.33 0.29 0.00 0.27 0.00 0.00 31.44 29.12 3h0m n GLU 240 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3h0m h TRP 241 N 7.57 0.49 -0.10 4.31 6.55 -1.90 -2.22 115.95 130.65 3h0m h TRP 241 Ca 0.44 -0.06 -0.00 0.00 0.95 0.00 0.00 58.89 60.21 3h0m h TRP 241 Cb 0.76 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 28.92 3h0m h TRP 241 CO 1.35 0.54 0.05 0.66 -1.05 0.00 0.00 178.44 180.00 3h0m h SER 242 N 0.44 0.12 0.23 -3.49 4.64 -1.86 -0.88 113.55 112.75 3h0m h SER 242 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3h0m h SER 242 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h0m h SER 242 CO 0.02 0.10 -0.32 -0.62 -0.87 0.00 0.00 176.83 175.14 3h0m n GLU 243 N -4.51 0.78 -0.05 4.77 -0.58 -0.87 -4.43 120.64 115.75 3h0m n GLU 243 Ca -0.01 -0.49 -0.04 0.00 -0.42 0.00 0.00 57.16 56.19 3h0m n GLU 243 Cb 0.10 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.38 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 -0.68 1.83 -0.18 3.49 4.07 -0.42 -4.56 120.64 124.19 3h0m n GLU 244 Ca 0.11 -0.02 0.05 0.00 -0.06 0.00 0.00 57.16 57.24 3h0m n GLU 244 Cb 0.36 -1.30 0.34 0.00 -0.06 0.00 0.00 31.44 30.77 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 1.05 0.00 6.31 -1.51 -1.55 -2.63 116.25 117.92 3h0m h VAL 245 Ca -0.28 -0.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.87 3h0m h VAL 245 Cb 1.57 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 3h0m h VAL 245 CO 0.02 0.14 -0.26 0.11 -1.23 0.00 0.00 177.57 176.35 3h0m h LYS 246 N 0.79 0.00 -7.33 5.19 1.57 -1.84 -3.39 116.57 111.56 3h0m h LYS 246 Ca 0.30 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.59 3h0m h LYS 246 Cb 0.19 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.64 3h0m h LYS 246 CO -0.10 0.26 0.26 0.15 -0.57 0.00 0.00 179.45 179.46 3h0m s LYS 247 N -3.53 1.45 -0.07 3.15 1.02 -0.99 -5.07 119.74 115.70 3h0m s LYS 247 Ca 0.01 0.90 -0.00 0.00 0.02 0.00 0.00 55.97 56.90 3h0m s LYS 247 Cb 0.10 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.61 3h0m s LYS 247 CO 0.66 -2.13 -0.03 -2.00 -0.92 0.00 0.00 175.35 170.93 3h0m s GLU 248 N -4.92 0.83 -0.19 1.68 2.12 -1.26 -4.91 118.70 112.04 3h0m s GLU 248 Ca 0.63 -0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.85 3h0m s GLU 248 Cb -0.18 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 3h0m s GLU 248 CO 0.57 -0.22 0.08 0.08 -0.54 0.00 0.00 175.26 175.23 3h0m s VAL 249 N 1.55 4.92 0.34 3.70 1.01 -1.26 -5.09 120.40 125.58 3h0m s VAL 249 Ca -0.01 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 3h0m s VAL 249 Cb -0.13 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 3h0m s VAL 249 CO -0.04 0.44 0.93 -0.54 0.00 0.00 0.00 175.10 175.89 3h0m s LYS 250 N 0.49 4.47 -0.89 2.72 -0.14 -1.26 -4.27 119.74 120.85 3h0m s LYS 250 Ca 0.04 1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 55.87 3h0m s LYS 250 Cb -0.12 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 3h0m s LYS 250 CO 0.00 0.21 0.22 0.41 -0.76 0.00 0.00 175.35 175.43 3h0m n GLY 251 N 0.26 -0.02 3.76 -3.33 0.00 -1.26 -5.01 105.19 99.59 3h0m n GLY 251 Ca 0.03 -0.33 -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 -3.66 3.07 -0.02 0.99 1.43 -1.26 -4.87 118.68 114.36 3h0m s LEU 252 Ca 0.11 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3h0m s LEU 252 Cb -0.05 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 3h0m s LEU 252 CO 0.13 -2.03 -0.16 -0.54 0.23 0.00 0.00 176.35 173.98 3h0m s LYS 253 N -4.77 1.42 -0.09 1.70 1.02 -1.26 -2.36 119.74 115.40 3h0m s LYS 253 Ca 0.62 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 56.07 3h0m s LYS 253 Cb -0.18 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 3h0m s LYS 253 CO 0.54 0.32 -0.22 0.42 -0.92 0.00 0.00 175.35 175.49 3h0m s ILE 254 N -0.26 1.88 -0.17 2.17 1.01 -0.16 -1.38 121.20 124.29 3h0m s ILE 254 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3h0m s ILE 254 Cb -0.08 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 3h0m s ILE 254 CO 0.00 0.52 0.11 -0.83 0.00 0.00 0.00 174.94 174.74 3h0m s GLY 255 N 0.40 2.03 -0.39 6.18 0.00 -0.56 -0.48 107.32 114.50 3h0m s GLY 255 Ca -0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 3h0m s GLY 255 CO 0.08 -0.02 0.19 1.08 0.00 0.00 0.00 173.10 174.43 3h0m s LEU 256 N 0.01 4.95 0.01 0.66 1.43 0.49 -1.77 118.68 124.45 3h0m s LEU 256 Ca 0.09 -1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 51.22 3h0m s LEU 256 Cb -0.12 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 3h0m s LEU 256 CO -0.00 -0.49 1.96 -2.65 0.23 0.00 0.00 176.35 175.41 3h0m n PRO 257 N 4.74 2.71 -0.09 1.29 -0.02 -1.26 -1.58 135.00 140.79 3h0m n PRO 257 Ca -0.08 0.99 0.16 0.00 -2.02 0.00 0.00 63.50 62.55 3h0m n PRO 257 Cb 0.42 -2.94 0.56 0.00 -0.02 0.00 0.00 33.50 31.52 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 10.42 0.28 0.00 -0.52 1.57 -1.04 -0.21 116.57 127.07 3h0m h LYS 258 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3h0m h LYS 258 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3h0m h LYS 258 CO 0.94 0.19 0.00 0.93 -0.57 0.00 0.00 179.45 180.94 3h0m h GLU 259 N 0.29 0.00 0.00 3.15 3.07 -1.89 -2.79 114.58 116.41 3h0m h GLU 259 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3h0m h GLU 259 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3h0m h GLU 259 CO -0.07 0.00 0.00 0.74 -1.40 0.00 0.00 179.01 178.28 3h0m h PHE 260 N 0.00 0.00 0.00 4.33 0.04 -1.40 -3.13 116.94 116.78 3h0m h PHE 260 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3h0m h PHE 260 Cb 0.60 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3h0m h PHE 260 CO 0.00 0.00 -0.22 0.74 -0.60 0.00 0.00 178.31 178.23 3h0m h PHE 261 N 0.00 0.00 0.00 -0.55 0.04 -1.58 -2.16 116.94 112.69 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 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3h0m h PHE 261 CO 0.00 0.22 0.00 0.39 -0.60 0.00 0.00 178.31 178.32 3h0m n GLU 262 N -3.81 0.13 -2.80 1.51 -0.58 -1.18 -4.81 120.64 109.10 3h0m n GLU 262 Ca -0.02 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 3h0m n GLU 262 Cb 0.32 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.85 3.58 -0.32 -0.32 1.51 -0.82 -4.98 117.35 113.16 3h0m s TYR 263 Ca 0.16 1.53 -0.29 0.00 -1.01 0.00 0.00 57.07 57.46 3h0m s TYR 263 Cb 0.16 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.89 3h0m s TYR 263 CO 0.42 -0.06 2.27 0.39 -1.11 0.00 0.00 175.55 177.47 3h0m n GLU 264 N 4.26 1.54 -4.31 -0.62 1.02 -1.26 -4.98 120.64 116.29 3h0m n GLU 264 Ca 0.05 0.36 -0.32 0.00 -0.02 0.00 0.00 57.16 57.22 3h0m n GLU 264 Cb 0.50 -3.08 -0.09 0.00 -0.02 0.00 0.00 31.44 28.75 3h0m n GLU 264 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h0m s LEU 265 N 8.96 3.44 0.30 -4.62 1.43 -1.26 -4.82 118.68 122.12 3h0m s LEU 265 Ca 1.03 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.80 3h0m s LEU 265 Cb -0.43 -1.98 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3h0m s LEU 265 CO 0.36 0.28 1.36 -1.10 0.23 0.00 0.00 176.35 177.49 3h0m s GLN 266 N -1.55 4.31 0.30 1.70 -0.21 -0.15 -4.88 119.66 119.18 3h0m s GLN 266 Ca 0.19 2.26 0.03 0.00 0.02 0.00 0.00 55.36 57.86 3h0m s GLN 266 Cb -0.11 -3.08 0.62 0.00 1.00 0.00 0.00 33.01 31.43 3h0m s GLN 266 CO 0.10 -0.29 1.83 -1.35 -2.12 0.00 0.00 175.29 173.46 3h0m h PRO 267 N 4.02 0.89 -0.91 2.91 0.11 -1.99 0.68 132.00 137.71 3h0m h PRO 267 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3h0m h PRO 267 Cb 1.22 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3h0m h PRO 267 CO 0.70 0.59 0.52 1.96 -0.21 0.00 0.00 178.00 181.56 3h0m h GLN 268 N 0.92 1.26 -0.09 1.05 7.50 -1.97 -0.37 115.11 123.41 3h0m h GLN 268 Ca 0.51 -0.13 -0.04 0.00 0.50 0.00 0.00 58.65 59.48 3h0m h GLN 268 Cb 0.59 -0.25 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 3h0m h GLN 268 CO -0.28 0.90 -0.09 0.28 -1.50 0.00 0.00 178.83 178.14 3h0m h VAL 269 N 1.27 1.37 -0.18 -0.54 2.07 -1.27 -1.41 116.25 117.55 3h0m h VAL 269 Ca 0.32 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3h0m h VAL 269 Cb -0.01 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3h0m h VAL 269 CO -0.06 0.35 -0.20 0.50 0.02 0.00 0.00 177.57 178.19 3h0m h LYS 270 N -0.20 -0.22 -0.19 1.57 3.64 -0.94 0.19 116.57 120.42 3h0m h LYS 270 Ca 0.01 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3h0m h LYS 270 Cb 0.61 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 3h0m h LYS 270 CO 0.02 -0.15 -0.18 0.93 -2.27 0.00 0.00 179.45 177.80 3h0m h GLU 271 N -0.23 -0.20 -0.68 1.90 5.08 -1.07 0.47 114.58 119.85 3h0m h GLU 271 Ca 0.12 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3h0m h GLU 271 Cb 0.41 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 3h0m h GLU 271 CO -0.32 -0.13 0.33 0.00 -1.00 0.00 0.00 179.01 177.89 3h0m h ALA 272 N 0.87 0.92 -0.07 3.43 0.00 -0.82 -1.95 119.26 121.64 3h0m h ALA 272 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h0m h ALA 272 Cb 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h0m h ALA 272 CO -0.31 -0.06 -0.03 0.35 0.00 0.00 0.00 179.25 179.21 3h0m h PHE 273 N 0.58 0.17 -0.92 0.00 3.57 -0.14 -2.26 116.94 117.94 3h0m h PHE 273 Ca 0.33 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.89 3h0m h PHE 273 Cb 0.33 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 3h0m h PHE 273 CO -0.11 0.50 0.56 0.93 -2.23 0.00 0.00 178.31 177.96 3h0m h GLU 274 N -0.21 0.91 -0.52 1.11 5.08 -0.81 -0.90 114.58 119.23 3h0m h GLU 274 Ca 0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3h0m h GLU 274 Cb 0.45 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3h0m h GLU 274 CO 0.01 0.60 0.17 -0.97 -1.00 0.00 0.00 179.01 177.83 3h0m h ASN 275 N 0.94 0.75 -0.49 1.42 -1.24 -1.35 0.02 115.58 115.64 3h0m h ASN 275 Ca 0.44 -0.20 0.05 0.00 0.71 0.00 0.00 56.30 57.30 3h0m h ASN 275 Cb 0.36 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 3h0m h ASN 275 CO -0.24 0.75 0.21 0.15 -1.29 0.00 0.00 177.43 177.02 3h0m h PHE 276 N 0.72 0.39 -0.18 0.67 3.57 -0.72 0.20 116.94 121.59 3h0m h PHE 276 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3h0m h PHE 276 Cb 0.26 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3h0m h PHE 276 CO 0.01 0.17 -0.16 0.82 -2.23 0.00 0.00 178.31 176.92 3h0m h ILE 277 N 0.42 1.33 -0.89 1.41 1.08 -1.01 -1.43 117.51 118.43 3h0m h ILE 277 Ca 0.22 -1.31 0.05 0.00 -0.39 0.00 0.00 64.86 63.43 3h0m h ILE 277 Cb 0.18 1.79 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 3h0m h ILE 277 CO -0.19 0.39 0.56 0.11 -0.69 0.00 0.00 178.15 178.34 3h0m h LYS 278 N 0.08 1.02 -0.48 2.37 1.57 -0.86 0.28 116.57 120.55 3h0m h LYS 278 Ca 0.03 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3h0m h LYS 278 Cb 0.69 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3h0m h LYS 278 CO 0.04 0.67 -0.05 0.93 -0.57 0.00 0.00 179.45 180.47 3h0m h GLU 279 N 1.05 0.84 -0.28 3.15 3.07 -0.86 -1.11 114.58 120.43 3h0m h GLU 279 Ca 0.37 -0.26 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 3h0m h GLU 279 Cb 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3h0m h GLU 279 CO -0.15 0.88 -0.02 -0.07 -1.40 0.00 0.00 179.01 178.24 3h0m h LEU 280 N 0.77 0.51 -0.46 1.33 3.38 -0.65 -2.80 115.31 117.38 3h0m h LEU 280 Ca 0.14 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.87 3h0m h LEU 280 Cb 0.54 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 3h0m h LEU 280 CO 0.03 0.71 -0.04 -0.08 0.09 0.00 0.00 178.44 179.16 3h0m h GLU 281 N 0.29 0.07 -0.48 1.13 4.81 -0.21 -1.83 114.58 118.37 3h0m h GLU 281 Ca 0.08 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3h0m h GLU 281 Cb 0.46 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3h0m h GLU 281 CO 0.02 0.05 0.33 0.87 -0.73 0.00 0.00 179.01 179.54 3h0m h LYS 282 N 0.07 0.28 0.00 1.92 1.57 -1.09 0.74 116.57 120.06 3h0m h LYS 282 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3h0m h LYS 282 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h0m h LYS 282 CO -0.42 0.18 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 3h0m n GLU 283 N -4.46 0.34 0.00 3.15 -0.58 -0.71 -4.90 120.64 113.48 3h0m n GLU 283 Ca 0.07 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3h0m n GLU 283 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.18 1.12 3.73 0.62 0.00 0.25 -5.08 105.19 107.01 3h0m n GLY 284 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 3.54 -0.01 1.61 0.40 -1.08 -4.65 117.98 115.79 3h0m s PHE 285 Ca 0.00 1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 57.54 3h0m s PHE 285 Cb 0.00 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 3h0m s PHE 285 CO 0.00 -0.80 0.96 -2.00 0.70 0.00 0.00 175.22 174.08 3h0m s GLU 286 N 0.21 4.55 -0.19 0.44 2.12 -0.99 -4.30 118.70 120.53 3h0m s GLU 286 Ca 0.53 1.37 -0.04 0.00 0.36 0.00 0.00 54.97 57.19 3h0m s GLU 286 Cb -0.29 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 3h0m s GLU 286 CO 0.33 -0.05 -0.04 0.42 -0.54 0.00 0.00 175.26 175.38 3h0m s ILE 287 N 1.02 3.57 0.02 -3.70 -1.09 -1.26 -0.99 121.20 118.77 3h0m s ILE 287 Ca 0.51 -0.44 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 3h0m s ILE 287 Cb -0.21 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3h0m s ILE 287 CO 0.27 0.45 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.74 3h0m s LYS 288 N 1.04 1.00 0.06 2.79 1.02 0.37 -4.97 119.74 121.05 3h0m s LYS 288 Ca 0.01 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 3h0m s LYS 288 Cb -0.15 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 3h0m s LYS 288 CO 0.00 0.25 1.09 -1.21 -0.92 0.00 0.00 175.35 174.57 3h0m s GLU 289 N -0.90 4.52 0.37 1.68 2.02 -1.26 -0.38 118.70 124.75 3h0m s GLU 289 Ca 0.03 1.62 0.09 0.00 0.02 0.00 0.00 54.97 56.72 3h0m s GLU 289 Cb -0.07 -3.38 -0.07 0.00 0.10 0.00 0.00 34.13 30.71 3h0m s GLU 289 CO 0.01 -0.11 -0.04 0.14 0.02 0.00 0.00 175.26 175.28 3h0m s VAL 290 N 0.78 2.20 -0.07 2.63 -7.23 -0.61 -4.81 120.40 113.30 3h0m s VAL 290 Ca 0.54 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3h0m s VAL 290 Cb -0.26 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3h0m s VAL 290 CO 0.30 -0.12 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.49 3h0m s SER 291 N -3.67 4.96 -0.45 4.85 0.01 -1.26 -0.32 113.70 117.82 3h0m s SER 291 Ca 0.34 0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.70 3h0m s SER 291 Cb 0.05 -1.33 0.17 0.00 0.21 0.00 0.00 66.02 65.13 3h0m s SER 291 CO 0.18 0.36 0.37 0.18 0.41 0.00 0.00 173.24 174.74 3h0m n LEU 292 N 2.11 -0.00 0.25 2.44 4.77 -1.26 -4.69 117.00 120.63 3h0m n LEU 292 Ca -0.18 -4.49 0.14 0.00 -0.03 0.00 0.00 56.01 51.45 3h0m n LEU 292 Cb 0.53 0.38 0.75 0.00 -2.33 0.00 0.00 43.42 42.75 3h0m n LEU 292 CO 0.28 1.85 0.99 1.55 -1.33 0.00 0.00 177.39 180.73 3h0m h PRO 293 N 5.54 0.00 0.00 3.23 0.13 -1.96 -2.49 132.00 136.45 3h0m h PRO 293 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3h0m h PRO 293 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3h0m h PRO 293 CO 0.42 0.00 -1.20 0.72 -0.23 0.00 0.00 178.00 177.71 3h0m n HIS 294 N -2.57 0.00 -0.34 1.56 8.25 -1.26 -4.68 115.22 116.17 3h0m n HIS 294 Ca -0.02 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.66 3h0m n HIS 294 Cb 0.20 -0.18 0.45 0.00 1.12 0.00 0.00 29.99 31.59 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 0.45 0.00 1.59 -1.51 -1.81 0.10 116.25 115.08 3h0m h VAL 295 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3h0m h VAL 295 Cb 0.51 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 3h0m h VAL 295 CO 0.00 0.08 0.18 0.07 -1.23 0.00 0.00 177.57 176.67 3h0m h LYS 296 N 0.44 0.00 -0.01 5.19 2.10 -1.83 0.56 116.57 123.02 3h0m h LYS 296 Ca 0.67 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.32 3h0m h LYS 296 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 3h0m h LYS 296 CO -0.46 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 177.51 3h0m n TYR 297 N -2.80 0.00 -0.35 0.07 4.01 0.36 -4.26 117.16 114.19 3h0m n TYR 297 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3h0m n TYR 297 Cb 0.23 -0.14 0.29 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.89 0.77 0.00 7.72 0.02 0.00 -2.33 113.55 120.63 3h0m h SER 298 Ca 0.00 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3h0m h SER 298 Cb 0.40 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3h0m h SER 298 CO 0.00 0.30 -0.22 0.40 -1.14 0.00 0.00 176.83 176.17 3h0m h ILE 299 N 0.78 1.57 -0.85 3.27 1.08 -1.79 0.16 117.51 121.73 3h0m h ILE 299 Ca 0.55 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3h0m h ILE 299 Cb 0.79 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 37.32 3h0m h ILE 299 CO -0.36 0.53 0.53 -0.65 -0.69 0.00 0.00 178.15 177.51 3h0m h PRO 300 N -0.56 1.14 -0.39 2.37 0.11 -1.85 -1.01 132.00 131.80 3h0m h PRO 300 Ca -0.03 -0.09 0.06 0.00 0.11 0.00 0.00 66.00 66.05 3h0m h PRO 300 Cb 0.99 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.81 3h0m h PRO 300 CO 0.04 0.78 0.10 1.15 -0.21 0.00 0.00 178.00 179.87 3h0m h THR 301 N 1.16 0.83 -0.06 -1.15 2.02 -1.19 -2.60 112.91 111.92 3h0m h THR 301 Ca 0.31 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 67.22 3h0m h THR 301 Cb -0.08 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3h0m h THR 301 CO -0.06 0.04 -0.73 0.22 0.37 0.00 0.00 175.52 175.36 3h0m h TYR 302 N 0.24 0.48 -0.23 3.16 3.20 -0.64 -1.47 116.97 121.71 3h0m h TYR 302 Ca 0.19 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3h0m h TYR 302 Cb 0.20 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3h0m h TYR 302 CO -0.18 0.97 0.00 0.66 -1.64 0.00 0.00 178.16 177.97 3h0m n TYR 303 N -3.82 0.66 -0.06 -3.82 4.01 -0.41 -1.16 117.16 112.56 3h0m n TYR 303 Ca -0.04 -0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.32 3h0m n TYR 303 Cb 0.71 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.25 0.74 0.24 -0.72 5.41 -0.90 -4.65 119.36 119.72 3h0m n ILE 304 Ca 0.10 -0.15 -0.16 0.00 1.00 0.00 0.00 62.75 63.54 3h0m n ILE 304 Cb 0.50 -1.69 -0.08 0.00 -0.71 0.00 0.00 39.64 37.66 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 -0.46 0.60 0.53 1.39 2.04 -1.14 -2.53 117.51 117.94 3h0m h ILE 305 Ca -0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3h0m h ILE 305 Cb 1.24 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3h0m h ILE 305 CO -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.60 3h0m h ALA 306 N 0.06 -0.89 -0.82 1.87 0.00 -1.40 -1.76 119.26 116.31 3h0m h ALA 306 Ca -0.06 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.85 3h0m h ALA 306 Cb 0.42 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3h0m h ALA 306 CO 0.09 -1.02 0.54 -1.35 0.00 0.00 0.00 179.25 177.51 3h0m h PRO 307 N -0.87 0.45 0.73 0.00 0.11 -1.76 0.76 132.00 131.42 3h0m h PRO 307 Ca -0.06 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3h0m h PRO 307 Cb 0.72 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3h0m h PRO 307 CO 0.04 0.30 -0.35 0.77 -0.21 0.00 0.00 178.00 178.54 3h0m h SER 308 N 0.46 -0.83 -0.11 -2.05 0.02 -0.97 -1.23 113.55 108.84 3h0m h SER 308 Ca 0.41 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 3h0m h SER 308 Cb 0.92 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3h0m h SER 308 CO -0.15 -0.52 0.03 -0.33 -1.14 0.00 0.00 176.83 174.73 3h0m h GLU 309 N -1.10 0.23 -0.57 3.45 5.08 -1.10 -1.73 114.58 118.83 3h0m h GLU 309 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3h0m h GLU 309 Cb 0.77 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3h0m h GLU 309 CO 0.16 0.23 0.31 0.00 -1.00 0.00 0.00 179.01 178.71 3h0m h ALA 310 N 1.81 0.73 -0.22 3.43 0.00 -0.55 0.33 119.26 124.78 3h0m h ALA 310 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3h0m h ALA 310 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h0m h ALA 310 CO -0.00 0.25 -0.22 0.66 0.00 0.00 0.00 179.25 179.94 3h0m h SER 311 N 0.77 0.41 0.02 0.00 4.64 -0.30 -1.12 113.55 117.96 3h0m h SER 311 Ca 0.20 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3h0m h SER 311 Cb 0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3h0m h SER 311 CO -0.03 0.64 -0.01 -1.28 -0.87 0.00 0.00 176.83 175.28 3h0m h SER 312 N 0.37 -0.02 0.45 4.97 0.87 -1.23 -3.12 113.55 115.84 3h0m h SER 312 Ca 0.06 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 3h0m h SER 312 Cb 0.60 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3h0m h SER 312 CO 0.04 0.59 0.00 0.78 -0.53 0.00 0.00 176.83 177.71 3h0m h ASN 313 N -0.65 0.00 -0.33 6.23 2.35 -0.68 -2.21 115.58 120.28 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 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 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 -2.66 3.22 0.26 1.61 4.32 -0.44 -4.33 117.00 118.97 3h0m n LEU 314 Ca -0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 56.01 54.61 3h0m n LEU 314 Cb 0.16 -0.21 0.69 0.00 -1.62 0.00 0.00 43.42 42.44 3h0m n LEU 314 CO 0.19 0.70 0.95 0.00 -1.22 0.00 0.00 177.39 178.01 3h0m h ALA 315 N 3.91 1.23 0.00 -1.18 0.00 -1.33 -3.10 119.26 118.79 3h0m h ALA 315 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h0m h ALA 315 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3h0m h ALA 315 CO 0.00 0.17 0.00 0.07 0.00 0.00 0.00 179.25 179.49 3h0m h ARG 316 N 0.00 0.00 -5.52 0.00 0.11 -1.79 -3.41 114.38 103.77 3h0m h ARG 316 Ca -0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 3h0m h ARG 316 Cb 0.40 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.34 3h0m h ARG 316 CO 0.02 0.00 0.51 0.71 0.10 0.00 0.00 179.97 181.30 3h0m s TYR 317 N -3.28 2.74 0.00 4.08 2.02 -1.17 -4.71 117.35 117.02 3h0m s TYR 317 Ca 0.06 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3h0m s TYR 317 Cb 0.10 -4.17 0.00 0.00 -0.40 0.00 0.00 41.96 37.49 3h0m s TYR 317 CO 0.50 -1.52 0.00 -0.40 -1.57 0.00 0.00 175.55 172.56 3h0m n ASP 318 N 7.51 0.00 -0.08 2.29 5.75 -1.26 -4.81 116.55 125.95 3h0m n ASP 318 Ca -0.03 -0.85 -0.01 0.00 -0.01 0.00 0.00 54.79 53.89 3h0m n ASP 318 Cb 0.46 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3h0m n ASP 318 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h0m n GLY 319 N 0.00 0.49 0.09 6.12 0.00 -1.25 -4.62 105.19 106.02 3h0m n GLY 319 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.87 1.48 0.33 1.61 0.31 -1.26 -4.77 118.33 113.15 3h0m n VAL 320 Ca -0.01 0.12 0.11 0.00 -0.01 0.00 0.00 64.34 64.54 3h0m n VAL 320 Cb 0.08 -2.31 -0.15 0.00 -0.91 0.00 0.00 33.84 30.55 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 -4.50 0.46 -3.76 5.55 1.74 -1.26 -5.03 116.66 109.86 3h0m n ARG 321 Ca -0.16 -0.13 -0.03 0.00 -0.77 0.00 0.00 57.85 56.76 3h0m n ARG 321 Cb 0.47 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 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 -3.33 -0.09 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.08 3h0m s TYR 322 Ca -0.03 -0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 3h0m s TYR 322 Cb 0.15 0.64 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 3h0m s TYR 322 CO 0.89 -0.79 0.00 0.41 -2.51 0.00 0.00 175.55 173.55 3h0m n GLY 323 N -0.50 0.27 3.77 5.49 0.00 -1.26 -4.25 105.19 108.71 3h0m n GLY 323 Ca -0.06 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 2.79 -0.04 1.61 5.04 -0.86 -4.90 117.35 120.99 3h0m s TYR 324 Ca 0.00 1.38 -0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3h0m s TYR 324 Cb 0.00 -3.71 0.03 0.00 0.35 0.00 0.00 41.96 38.63 3h0m s TYR 324 CO 0.00 -2.20 0.01 0.50 -1.34 0.00 0.00 175.55 172.52 3h0m s ARG 325 N -2.23 0.26 0.61 4.97 3.52 -1.26 -3.91 118.95 120.91 3h0m s ARG 325 Ca 0.57 0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 56.13 3h0m s ARG 325 Cb -0.39 -0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 3h0m s ARG 325 CO 0.51 -0.20 0.84 0.00 -0.81 0.00 0.00 175.30 175.64 3h0m n ALA 326 N 4.53 -0.21 0.11 6.12 0.00 -1.26 -4.94 120.51 124.85 3h0m n ALA 326 Ca -0.19 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 3h0m n ALA 326 Cb 0.50 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 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 0.33 0.41 -5.26 0.00 1.57 -1.98 -3.45 116.57 108.19 3h0m h LYS 327 Ca -0.48 -0.63 -0.66 0.00 -1.87 0.00 0.00 60.65 57.01 3h0m h LYS 327 Cb 1.37 0.22 -0.29 0.00 0.08 0.00 0.00 32.23 33.62 3h0m h LYS 327 CO 0.49 1.28 -0.80 -1.21 -0.57 0.00 0.00 179.45 178.65 3h0m s GLU 328 N -2.77 3.27 -0.23 3.15 2.02 -1.26 -5.10 118.70 117.78 3h0m s GLU 328 Ca -0.06 -0.74 -0.26 0.00 0.02 0.00 0.00 54.97 53.93 3h0m s GLU 328 Cb 0.06 -2.60 0.09 0.00 0.10 0.00 0.00 34.13 31.78 3h0m s GLU 328 CO 0.90 0.11 0.81 1.52 0.02 0.00 0.00 175.26 178.63 3h0m s TYR 329 N 0.58 -0.66 -0.39 1.61 1.13 -1.26 -4.87 117.35 113.50 3h0m s TYR 329 Ca -0.09 1.50 0.23 0.00 -1.41 0.00 0.00 57.07 57.29 3h0m s TYR 329 Cb -0.16 0.33 -0.07 0.00 -1.10 0.00 0.00 41.96 40.96 3h0m s TYR 329 CO 0.03 -0.38 0.89 0.36 -2.51 0.00 0.00 175.55 173.95 3h0m n LYS 330 N 2.12 0.45 -3.96 -3.49 2.85 -1.26 -4.94 118.16 109.93 3h0m n LYS 330 Ca -0.14 -0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.00 3h0m n LYS 330 Cb 0.56 -1.63 -0.03 0.00 -0.65 0.00 0.00 35.03 33.28 3h0m n LYS 330 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3h0m s ASP 331 N -4.39 0.12 0.42 -5.58 1.47 -1.26 -5.04 116.67 102.40 3h0m s ASP 331 Ca -0.00 -1.04 0.09 0.00 1.18 0.00 0.00 52.55 52.78 3h0m s ASP 331 Cb 0.13 0.68 0.90 0.00 -0.34 0.00 0.00 42.92 44.30 3h0m s ASP 331 CO 0.83 -1.32 2.03 -0.29 0.68 0.00 0.00 175.17 177.10 3h0m h ILE 332 N 2.13 1.04 0.39 2.11 6.09 -1.98 -0.26 117.51 127.02 3h0m h ILE 332 Ca -0.27 -0.18 -0.02 0.00 -1.37 0.00 0.00 64.86 63.03 3h0m h ILE 332 Cb 1.25 0.47 0.00 0.00 0.47 0.00 0.00 36.82 39.01 3h0m h ILE 332 CO 0.35 0.10 -0.19 0.15 -3.07 0.00 0.00 178.15 175.49 3h0m h PHE 333 N 0.52 -0.49 -1.00 2.19 3.57 -1.99 0.29 116.94 120.04 3h0m h PHE 333 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3h0m h PHE 333 Cb 0.13 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 3h0m h PHE 333 CO -0.00 -0.26 0.66 0.93 -2.23 0.00 0.00 178.31 177.41 3h0m h GLU 334 N -0.60 1.28 -0.37 1.11 5.08 -1.90 0.12 114.58 119.30 3h0m h GLU 334 Ca -0.05 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3h0m h GLU 334 Cb 0.45 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3h0m h GLU 334 CO 0.09 0.85 0.10 1.98 -1.00 0.00 0.00 179.01 181.03 3h0m h MET 335 N 1.32 0.23 0.72 2.33 4.05 -0.63 0.08 114.93 123.03 3h0m h MET 335 Ca 0.38 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.75 3h0m h MET 335 Cb -0.10 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.66 3h0m h MET 335 CO -0.10 0.15 -0.35 1.88 0.23 0.00 0.00 176.91 178.73 3h0m h TYR 336 N 0.24 -0.90 0.00 1.39 0.05 -0.19 -1.91 116.97 115.66 3h0m h TYR 336 Ca 0.17 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 3h0m h TYR 336 Cb 0.17 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3h0m h TYR 336 CO -0.16 -0.54 -0.33 0.00 -1.05 0.00 0.00 178.16 176.07 3h0m h ALA 337 N -0.78 1.23 0.15 3.88 0.00 -0.53 -2.53 119.26 120.70 3h0m h ALA 337 Ca -0.10 -0.30 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 3h0m h ALA 337 Cb 0.76 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h0m h ALA 337 CO 0.16 0.41 -1.73 0.00 0.00 0.00 0.00 179.25 178.09 3h0m h ARG 338 N 0.00 0.33 -0.77 0.00 3.08 -1.03 -2.49 114.38 113.50 3h0m h ARG 338 Ca -0.00 -0.56 0.14 0.00 0.07 0.00 0.00 59.98 59.63 3h0m h ARG 338 Cb 0.68 0.21 -0.09 0.00 0.08 0.00 0.00 29.97 30.84 3h0m h ARG 338 CO 0.04 1.27 0.33 1.15 -1.07 0.00 0.00 179.97 181.69 3h0m h THR 339 N -0.01 0.68 0.03 2.04 2.02 -1.25 -1.22 112.91 115.21 3h0m h THR 339 Ca -0.36 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 3h0m h THR 339 Cb 2.00 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3h0m h THR 339 CO 0.12 0.09 -0.34 0.03 0.37 0.00 0.00 175.52 175.79 3h0m h ARG 340 N 0.48 0.17 -0.76 6.66 3.08 -1.55 0.13 114.38 122.60 3h0m h ARG 340 Ca 0.42 -0.23 0.05 0.00 0.07 0.00 0.00 59.98 60.30 3h0m h ARG 340 Cb 0.63 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 3h0m h ARG 340 CO -0.39 1.03 0.50 0.22 -1.07 0.00 0.00 179.97 180.25 3h0m h ASP 341 N -0.58 0.74 0.95 7.04 3.58 -1.38 -0.38 116.42 126.39 3h0m h ASP 341 Ca -0.05 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.19 3h0m h ASP 341 Cb 1.17 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 3h0m h ASP 341 CO 0.06 0.48 -1.08 -0.33 -2.88 0.00 0.00 179.24 175.50 3h0m h GLU 342 N 0.84 0.00 0.00 0.28 5.08 -1.22 -3.37 114.58 116.20 3h0m h GLU 342 Ca 0.32 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 3h0m h GLU 342 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3h0m h GLU 342 CO -0.10 0.85 -1.44 0.41 -1.00 0.00 0.00 179.01 177.72 3h0m n GLY 343 N 1.37 -1.21 3.78 -3.84 0.00 0.44 -4.83 105.19 100.91 3h0m n GLY 343 Ca -0.03 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.97 3.63 1.10 1.61 0.08 -0.19 -1.53 117.98 119.70 3h0m s PHE 344 Ca -0.03 0.92 -0.15 0.00 0.12 0.00 0.00 56.93 57.79 3h0m s PHE 344 Cb 0.09 -2.39 0.24 0.00 -0.57 0.00 0.00 43.02 40.39 3h0m s PHE 344 CO 0.81 0.43 1.08 0.20 -0.10 0.00 0.00 175.22 177.64 3h0m s GLY 345 N -0.31 1.55 0.15 4.36 0.00 -1.26 -4.81 107.32 107.00 3h0m s GLY 345 Ca 0.24 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.37 3h0m s GLY 345 CO 0.11 0.22 1.46 -0.56 0.00 0.00 0.00 173.10 174.34 3h0m h PRO 346 N -2.27 0.84 -0.38 2.90 0.13 -1.97 -0.48 132.00 130.76 3h0m h PRO 346 Ca -0.54 -0.48 -0.04 0.00 -0.87 0.00 0.00 66.00 64.07 3h0m h PRO 346 Cb 1.33 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 3h0m h PRO 346 CO 0.50 1.12 0.09 1.49 -0.23 0.00 0.00 178.00 180.98 3h0m h GLU 347 N 0.66 0.61 -0.24 0.86 4.57 -1.95 -1.45 114.58 117.65 3h0m h GLU 347 Ca 0.04 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3h0m h GLU 347 Cb 1.06 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3h0m h GLU 347 CO 0.11 0.64 0.06 0.28 -1.18 0.00 0.00 179.01 178.92 3h0m h VAL 348 N 0.47 0.91 -0.95 0.32 2.07 -1.85 -1.58 116.25 115.64 3h0m h VAL 348 Ca 0.12 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3h0m h VAL 348 Cb 0.31 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3h0m h VAL 348 CO 0.00 0.03 0.61 0.11 0.02 0.00 0.00 177.57 178.34 3h0m h LYS 349 N 0.16 1.13 -0.61 1.57 1.57 -0.90 -1.39 116.57 118.10 3h0m h LYS 349 Ca 0.11 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3h0m h LYS 349 Cb 0.09 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3h0m h LYS 349 CO -0.13 0.75 0.23 0.00 -0.57 0.00 0.00 179.45 179.73 3h0m h ARG 350 N 1.16 0.93 -0.15 3.15 3.08 -0.65 -1.70 114.38 120.20 3h0m h ARG 350 Ca 0.39 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 3h0m h ARG 350 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3h0m h ARG 350 CO -0.14 0.80 -0.45 0.00 -1.07 0.00 0.00 179.97 179.11 3h0m h ARG 351 N 0.86 0.37 -0.40 0.04 3.08 -0.89 -1.41 114.38 116.03 3h0m h ARG 351 Ca 0.20 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3h0m h ARG 351 Cb 0.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3h0m h ARG 351 CO -0.01 0.74 -0.31 0.82 -1.07 0.00 0.00 179.97 180.14 3h0m h ILE 352 N 0.30 1.27 0.26 2.04 2.04 -1.01 -0.86 117.51 121.55 3h0m h ILE 352 Ca 0.02 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3h0m h ILE 352 Cb 0.91 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3h0m h ILE 352 CO 0.08 0.49 -0.13 0.24 0.00 0.00 0.00 178.15 178.83 3h0m h MET 353 N 0.75 -0.34 -0.50 2.37 2.86 -1.09 -2.13 114.93 116.84 3h0m h MET 353 Ca 0.08 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 3h0m h MET 353 Cb 0.88 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.53 3h0m h MET 353 CO 0.08 -0.07 -0.03 1.25 1.06 0.00 0.00 176.91 179.20 3h0m h LEU 354 N -0.58 -0.27 -0.19 1.22 5.85 -1.27 -2.35 115.31 117.72 3h0m h LEU 354 Ca -0.04 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h0m h LEU 354 Cb 0.42 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3h0m h LEU 354 CO 0.06 -0.10 0.11 1.23 -0.34 0.00 0.00 178.44 179.40 3h0m h GLY 355 N 0.09 0.28 2.00 3.75 0.00 -1.13 -0.42 103.07 107.64 3h0m h GLY 355 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3h0m h GLY 355 CO -0.44 0.12 -0.13 0.00 0.00 0.00 0.00 176.54 176.08 3h0m h THR 356 N 0.21 0.67 0.18 4.70 1.03 -1.18 -1.64 112.91 116.87 3h0m h THR 356 Ca 0.07 -0.56 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 3h0m h THR 356 Cb 0.06 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 3h0m h THR 356 CO -0.01 0.13 -0.09 0.15 -0.01 0.00 0.00 175.52 175.69 3h0m h PHE 357 N 0.00 -0.22 -0.43 0.00 3.04 -1.06 -2.80 116.94 115.47 3h0m h PHE 357 Ca -0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.07 3h0m h PHE 357 Cb 0.34 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 3h0m h PHE 357 CO 0.00 0.20 0.41 0.00 -2.02 0.00 0.00 178.31 176.90 3h0m h ALA 358 N -0.28 2.19 0.00 2.41 0.00 -0.44 0.29 119.26 123.43 3h0m h ALA 358 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h0m h ALA 358 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h0m h ALA 358 CO 0.04 -0.63 -1.14 1.28 0.00 0.00 0.00 179.25 178.80 3h0m n LEU 359 N -3.88 0.70 -4.78 0.00 4.77 -0.68 -3.64 117.00 109.50 3h0m n LEU 359 Ca 0.08 -0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 3h0m n LEU 359 Cb 0.60 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3h0m n LEU 359 CO 0.30 0.15 1.13 -0.94 -1.33 0.00 0.00 177.39 176.70 3h0m s SER 360 N -3.46 6.33 0.35 -1.43 1.04 0.09 -4.58 113.70 112.04 3h0m s SER 360 Ca 0.05 3.04 -0.29 0.00 0.48 0.00 0.00 55.95 59.23 3h0m s SER 360 Cb 0.15 -2.67 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 3h0m s SER 360 CO 0.85 -0.88 1.54 0.00 0.98 0.00 0.00 173.24 175.72 3h0m s ALA 361 N -1.12 3.64 0.00 5.32 0.00 -1.26 -0.75 121.76 127.58 3h0m s ALA 361 Ca 0.53 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3h0m s ALA 361 Cb -0.46 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3h0m s ALA 361 CO 0.63 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3h0m n GLY 362 N 1.02 3.15 0.00 0.00 0.00 -1.26 -4.74 105.19 103.36 3h0m n GLY 362 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.80 0.00 -0.23 1.61 4.01 -0.41 -4.78 117.16 116.57 3h0m n TYR 363 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3h0m n TYR 363 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.60 -0.20 -0.72 5.03 -1.02 -0.97 116.97 119.70 3h0m h TYR 364 Ca 0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3h0m h TYR 364 Cb 0.00 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 3h0m h TYR 364 CO 0.00 0.24 0.12 -0.44 -1.32 0.00 0.00 178.16 176.76 3h0m h ASP 365 N 0.59 0.24 1.37 -2.11 5.19 -1.86 -0.11 116.42 119.73 3h0m h ASP 365 Ca 0.32 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3h0m h ASP 365 Cb 0.29 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3h0m h ASP 365 CO -0.24 0.21 -0.26 0.00 -3.12 0.00 0.00 179.24 175.83 3h0m h ALA 366 N 1.04 0.89 -3.00 3.45 0.00 -1.83 -2.16 119.26 117.65 3h0m h ALA 366 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h0m h ALA 366 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h0m h ALA 366 CO -0.01 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.22 3h0m n TYR 367 N -3.25 0.00 -0.09 0.00 4.02 -0.39 -4.51 117.16 112.95 3h0m n TYR 367 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 3h0m n TYR 367 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 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 0.36 0.09 -0.72 3.20 -1.48 0.06 116.97 118.48 3h0m h TYR 368 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3h0m h TYR 368 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3h0m h TYR 368 CO 0.00 0.22 -0.04 1.25 -1.64 0.00 0.00 178.16 177.95 3h0m h LEU 369 N 0.40 -0.10 -0.58 2.82 5.85 -1.21 -1.39 115.31 121.10 3h0m h LEU 369 Ca 0.11 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.85 3h0m h LEU 369 Cb -0.03 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3h0m h LEU 369 CO -0.04 0.04 0.01 0.50 -0.34 0.00 0.00 178.44 178.61 3h0m h LYS 370 N -0.23 0.12 -0.60 1.25 1.63 -1.20 -1.68 116.57 115.86 3h0m h LYS 370 Ca -0.01 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3h0m h LYS 370 Cb 0.20 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 3h0m h LYS 370 CO 0.02 0.08 0.36 0.00 -3.45 0.00 0.00 179.45 176.46 3h0m h ALA 371 N 1.52 1.51 0.00 5.00 0.00 -0.69 -0.16 119.26 126.44 3h0m h ALA 371 Ca 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h0m h ALA 371 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h0m h ALA 371 CO -0.48 0.43 -0.13 1.96 0.00 0.00 0.00 179.25 181.02 3h0m h GLN 372 N 0.82 0.00 0.04 0.00 1.08 -0.39 -0.65 115.11 116.02 3h0m h GLN 372 Ca 0.22 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3h0m h GLN 372 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3h0m h GLN 372 CO -0.04 0.13 -0.02 0.87 -0.95 0.00 0.00 178.83 178.82 3h0m h LYS 373 N 0.00 -0.05 -0.79 1.46 1.57 -0.43 -3.19 116.57 115.14 3h0m h LYS 373 Ca -0.00 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.01 3h0m h LYS 373 Cb 0.92 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 3h0m h LYS 373 CO 0.02 0.59 0.58 0.28 -0.57 0.00 0.00 179.45 180.34 3h0m h VAL 374 N -0.92 0.59 0.00 0.50 2.07 -1.02 0.23 116.25 117.70 3h0m h VAL 374 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3h0m h VAL 374 Cb 0.66 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3h0m h VAL 374 CO 0.01 0.00 -0.51 -0.09 0.02 0.00 0.00 177.57 177.00 3h0m h ARG 375 N 0.00 0.00 -0.10 1.57 2.43 -1.19 -1.86 114.38 115.23 3h0m h ARG 375 Ca 0.37 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.32 3h0m h ARG 375 Cb 1.52 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3h0m h ARG 375 CO -0.00 0.51 -0.81 -0.09 -1.51 0.00 0.00 179.97 178.06 3h0m h ARG 376 N 0.00 0.73 -0.29 0.20 2.43 -0.55 -1.75 114.38 115.15 3h0m h ARG 376 Ca -0.01 -0.65 0.07 0.00 -0.81 0.00 0.00 59.98 58.58 3h0m h ARG 376 Cb 0.93 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 3h0m h ARG 376 CO 0.07 1.25 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.55 3h0m h LEU 377 N 0.43 -0.54 -0.59 3.80 3.38 -1.20 -0.33 115.31 120.27 3h0m h LEU 377 Ca -0.07 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h0m h LEU 377 Cb 1.46 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 3h0m h LEU 377 CO 0.17 -0.20 0.28 0.40 0.09 0.00 0.00 178.44 179.18 3h0m h ILE 378 N -0.13 1.21 -0.73 1.22 2.04 -1.33 -0.35 117.51 119.44 3h0m h ILE 378 Ca 0.15 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.42 3h0m h ILE 378 Cb 0.36 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3h0m h ILE 378 CO -0.37 0.24 0.48 0.74 0.00 0.00 0.00 178.15 179.24 3h0m h THR 379 N 0.81 1.17 -0.52 -0.27 2.02 -1.03 -2.82 112.91 112.27 3h0m h THR 379 Ca 0.20 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3h0m h THR 379 Cb 0.13 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3h0m h THR 379 CO -0.02 0.18 -0.15 0.78 0.37 0.00 0.00 175.52 176.68 3h0m h ASN 380 N 0.98 1.03 -0.76 4.18 2.35 -0.18 -1.85 115.58 121.34 3h0m h ASN 380 Ca 0.27 -0.37 0.13 0.00 -0.55 0.00 0.00 56.30 55.79 3h0m h ASN 380 Cb -0.09 -0.28 -0.14 0.00 0.05 0.00 0.00 38.32 37.85 3h0m h ASN 380 CO -0.07 1.16 -0.31 0.44 -1.65 0.00 0.00 177.43 177.01 3h0m h ASP 381 N 0.89 -1.11 0.11 5.81 3.32 -0.86 -1.18 116.42 123.41 3h0m h ASP 381 Ca 0.13 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3h0m h ASP 381 Cb 0.72 0.60 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3h0m h ASP 381 CO 0.06 -0.29 -0.05 -0.26 -1.72 0.00 0.00 179.24 176.97 3h0m h PHE 382 N -0.07 -0.13 -0.81 4.55 0.04 -1.16 -0.80 116.94 118.55 3h0m h PHE 382 Ca 0.31 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.20 3h0m h PHE 382 Cb 0.58 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.71 3h0m h PHE 382 CO -0.70 0.01 0.53 -0.07 -0.60 0.00 0.00 178.31 177.49 3h0m h LEU 383 N -0.25 0.59 -0.03 1.54 3.38 -0.89 0.16 115.31 119.81 3h0m h LEU 383 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3h0m h LEU 383 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3h0m h LEU 383 CO 0.02 0.33 -0.15 0.50 0.09 0.00 0.00 178.44 179.23 3h0m h LYS 384 N 0.64 0.17 -0.60 1.13 3.64 -0.97 -3.09 116.57 117.50 3h0m h LYS 384 Ca 0.39 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 3h0m h LYS 384 Cb 0.63 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 3h0m h LYS 384 CO -0.16 0.78 0.40 0.00 -2.27 0.00 0.00 179.45 178.21 3h0m h ALA 385 N 0.39 2.03 0.00 5.00 0.00 -0.45 -0.18 119.26 126.04 3h0m h ALA 385 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h0m h ALA 385 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h0m h ALA 385 CO 0.03 -0.16 0.00 1.19 0.00 0.00 0.00 179.25 180.31 3h0m n PHE 386 N -4.47 0.00 0.10 0.00 3.72 0.50 -2.12 117.46 115.20 3h0m n PHE 386 Ca 0.10 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3h0m n PHE 386 Cb 0.38 -0.32 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.05 0.01 -1.08 5.08 -1.00 -3.34 114.58 114.30 3h0m h GLU 387 Ca 0.00 -0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 57.96 3h0m h GLU 387 Cb 0.21 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3h0m h GLU 387 CO 0.00 0.81 -2.15 0.39 -1.00 0.00 0.00 179.01 177.06 3h0m n GLU 388 N -3.64 0.67 -4.28 2.33 1.02 -0.90 -5.04 120.64 110.80 3h0m n GLU 388 Ca -0.01 0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 3h0m n GLU 388 Cb 0.75 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 3h0m n GLU 388 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h0m s VAL 389 N -2.53 0.59 -0.19 2.62 -7.23 -0.94 -4.98 120.40 107.73 3h0m s VAL 389 Ca -0.12 -1.99 0.14 0.00 -1.81 0.00 0.00 61.98 58.20 3h0m s VAL 389 Cb 0.07 -2.42 -0.22 0.00 0.56 0.00 0.00 36.38 34.38 3h0m s VAL 389 CO 0.80 -0.20 0.01 0.47 -0.31 0.00 0.00 175.10 175.87 3h0m n ASP 390 N -0.36 0.75 -4.03 4.85 8.00 -0.48 -4.44 116.55 120.83 3h0m n ASP 390 Ca -0.03 -0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 3h0m n ASP 390 Cb 0.65 0.72 -0.09 0.00 -0.02 0.00 0.00 41.12 42.37 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 -2.45 0.18 -0.08 2.53 -7.23 -0.97 -4.38 120.40 108.00 3h0m s VAL 391 Ca -0.13 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 3h0m s VAL 391 Cb 0.06 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.45 3h0m s VAL 391 CO 0.72 -0.82 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.83 3h0m s ILE 392 N -3.92 2.00 0.08 -0.62 1.01 -0.27 -1.50 121.20 117.98 3h0m s ILE 392 Ca 0.09 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.82 3h0m s ILE 392 Cb 0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3h0m s ILE 392 CO -0.09 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.20 3h0m s ALA 393 N 0.19 2.53 0.25 9.38 0.00 -0.73 -0.07 121.76 133.31 3h0m s ALA 393 Ca -0.14 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 3h0m s ALA 393 Cb -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3h0m s ALA 393 CO 0.07 0.57 0.77 -1.54 0.00 0.00 0.00 175.76 175.63 3h0m s SER 394 N -1.72 -0.24 0.54 0.00 1.04 -0.68 -4.56 113.70 108.08 3h0m s SER 394 Ca 0.15 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 3h0m s SER 394 Cb -0.10 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 3h0m s SER 394 CO 0.06 -1.25 1.00 -2.65 0.98 0.00 0.00 173.24 171.38 3h0m n PRO 395 N -0.46 1.11 0.05 4.02 -0.02 -1.26 0.05 135.00 138.49 3h0m n PRO 395 Ca -0.04 0.42 -0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3h0m n PRO 395 Cb 0.59 -2.16 0.18 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.90 1.30 -3.41 3.45 2.02 -1.61 -3.41 112.91 112.14 3h0m h THR 396 Ca -0.48 -1.52 -0.19 0.00 0.77 0.00 0.00 66.41 64.99 3h0m h THR 396 Cb 1.35 1.61 -0.26 0.00 -1.74 0.00 0.00 68.15 69.11 3h0m h THR 396 CO 0.53 0.47 -0.55 -0.89 0.37 0.00 0.00 175.52 175.44 3h0m s THR 397 N -4.20 0.01 0.21 3.16 2.01 -1.26 -4.42 115.64 111.15 3h0m s THR 397 Ca -0.06 -0.07 0.35 0.00 0.31 0.00 0.00 61.69 62.22 3h0m s THR 397 Cb 0.13 -0.22 0.40 0.00 0.01 0.00 0.00 72.50 72.81 3h0m s THR 397 CO 0.79 -0.04 2.05 1.55 -0.69 0.00 0.00 174.62 178.28 3h0m h PRO 398 N 5.77 0.00 -5.11 4.92 0.13 -1.87 -3.46 132.00 132.38 3h0m h PRO 398 Ca -0.26 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.46 3h0m h PRO 398 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3h0m h PRO 398 CO 0.42 0.01 -0.63 0.95 -0.23 0.00 0.00 178.00 178.52 3h0m s THR 399 N -3.77 1.02 0.68 1.56 -4.23 -1.26 -0.98 115.64 108.65 3h0m s THR 399 Ca -0.00 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 3h0m s THR 399 Cb 0.10 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3h0m s THR 399 CO 0.52 -0.15 1.09 -0.76 -0.54 0.00 0.00 174.62 174.79 3h0m s LEU 400 N -3.38 3.31 -0.39 4.79 1.43 -1.26 -4.96 118.68 118.23 3h0m s LEU 400 Ca 0.33 1.90 -0.36 0.00 -1.03 0.00 0.00 54.13 54.98 3h0m s LEU 400 Cb 0.07 -4.54 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 3h0m s LEU 400 CO 0.12 -1.63 1.32 -2.65 0.23 0.00 0.00 176.35 173.74 3h0m n PRO 401 N -2.64 0.00 -2.45 1.29 -0.02 -1.26 -4.96 135.00 124.96 3h0m n PRO 401 Ca 0.10 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.33 3h0m n PRO 401 Cb 0.52 -1.17 0.10 0.00 -0.02 0.00 0.00 33.50 32.94 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 2.77 1.93 0.29 6.00 -0.12 -1.26 -4.85 117.98 122.75 3h0m s PHE 402 Ca 0.84 -0.06 -0.07 0.00 -0.05 0.00 0.00 56.93 57.59 3h0m s PHE 402 Cb -1.17 -3.15 -0.06 0.00 -0.63 0.00 0.00 43.02 38.01 3h0m s PHE 402 CO 0.61 -1.70 0.59 0.15 -0.05 0.00 0.00 175.22 174.83 3h0m s LYS 403 N -5.22 3.70 0.40 1.99 1.02 -1.26 -1.71 119.74 118.67 3h0m s LYS 403 Ca 0.65 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 56.55 3h0m s LYS 403 Cb -0.06 -2.60 -0.11 0.00 -0.52 0.00 0.00 37.83 34.54 3h0m s LYS 403 CO 0.45 0.20 1.17 1.19 -0.92 0.00 0.00 175.35 177.43 3h0m n PHE 404 N -0.79 1.76 -0.26 3.18 3.72 -1.20 -1.83 117.46 122.04 3h0m n PHE 404 Ca -0.00 0.54 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 3h0m n PHE 404 Cb 0.53 -2.32 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 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 0.96 2.16 0.16 1.37 0.00 -1.26 -4.86 105.19 103.72 3h0m n GLY 405 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 2.01 0.00 0.00 1.61 4.81 -1.76 -3.27 114.58 117.98 3h0m h GLU 406 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3h0m h GLU 406 Cb 0.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.27 3h0m h GLU 406 CO 0.00 0.48 -0.58 0.54 -0.73 0.00 0.00 179.01 178.72 3h0m n ARG 407 N -3.45 1.02 -0.01 1.92 1.74 -1.26 -4.65 116.66 111.97 3h0m n ARG 407 Ca 0.00 -2.71 0.09 0.00 -0.77 0.00 0.00 57.85 54.45 3h0m n ARG 407 Cb 0.61 -1.09 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.65 0.19 0.06 0.55 4.77 -1.23 -3.93 117.00 116.76 3h0m n LEU 408 Ca 0.14 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3h0m n LEU 408 Cb 0.81 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 3h0m n LEU 408 CO -0.03 0.05 0.48 -0.33 -1.33 0.00 0.00 177.39 176.22 3h0m h GLU 409 N 0.00 -0.15 -4.90 3.23 5.08 -1.83 -3.40 114.58 112.61 3h0m h GLU 409 Ca 0.00 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.73 3h0m h GLU 409 Cb 0.70 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.81 3h0m h GLU 409 CO 0.00 -0.10 -0.54 1.21 -1.00 0.00 0.00 179.01 178.58 3h0m s ASN 410 N -2.29 5.86 0.40 1.42 3.84 -1.26 -4.98 114.94 117.92 3h0m s ASN 410 Ca -0.02 -0.06 0.19 0.00 0.21 0.00 0.00 52.86 53.19 3h0m s ASN 410 Cb 0.00 -2.08 1.13 0.00 -0.55 0.00 0.00 41.25 39.75 3h0m s ASN 410 CO 0.07 -0.05 1.76 -0.65 -2.79 0.00 0.00 177.10 175.44 3h0m h PRO 411 N 8.35 0.35 -1.01 0.43 0.11 -1.83 -1.19 132.00 137.22 3h0m h PRO 411 Ca -0.36 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.83 3h0m h PRO 411 Cb 1.19 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 3h0m h PRO 411 CO 0.56 0.23 0.64 0.82 -0.21 0.00 0.00 178.00 180.04 3h0m h ILE 412 N 0.37 0.98 0.00 4.15 2.04 -1.94 -0.34 117.51 122.77 3h0m h ILE 412 Ca 0.61 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 3h0m h ILE 412 Cb 1.59 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3h0m h ILE 412 CO -0.30 0.19 -0.07 -0.33 0.00 0.00 0.00 178.15 177.64 3h0m h GLU 413 N 1.07 0.00 -0.20 2.37 5.08 -1.51 0.27 114.58 121.66 3h0m h GLU 413 Ca 0.47 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.65 3h0m h GLU 413 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h0m h GLU 413 CO -0.23 0.07 -0.62 1.98 -1.00 0.00 0.00 179.01 179.20 3h0m h MET 414 N 0.00 0.70 -0.72 2.33 4.05 -1.15 -3.26 114.93 116.89 3h0m h MET 414 Ca -0.00 -0.48 -0.04 0.00 -0.28 0.00 0.00 59.70 58.89 3h0m h MET 414 Cb 0.14 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 3h0m h MET 414 CO 0.01 1.11 0.28 1.88 0.23 0.00 0.00 176.91 180.41 3h0m h TYR 415 N 0.52 1.09 0.00 1.39 0.05 -0.79 -2.57 116.97 116.65 3h0m h TYR 415 Ca -0.01 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3h0m h TYR 415 Cb 1.21 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.62 3h0m h TYR 415 CO 0.06 0.83 0.00 1.28 -1.05 0.00 0.00 178.16 179.29 3h0m n LEU 416 N -4.29 0.00 0.27 3.88 4.77 -0.82 -1.12 117.00 119.69 3h0m n LEU 416 Ca 0.06 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.64 3h0m n LEU 416 Cb 0.19 -0.44 0.70 0.00 -2.33 0.00 0.00 43.42 41.54 3h0m n LEU 416 CO 0.40 -0.37 0.97 0.28 -1.33 0.00 0.00 177.39 177.34 3h0m h SER 417 N 0.00 0.00 -0.06 -1.43 0.02 -1.59 -3.26 113.55 107.23 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 0.08 0.00 0.47 -1.14 0.00 0.00 176.83 176.24 3h0m n ASP 418 N -3.27 2.75 0.26 3.07 8.00 -0.28 -4.60 116.55 122.48 3h0m n ASP 418 Ca -0.00 -1.90 0.18 0.00 0.71 0.00 0.00 54.79 53.77 3h0m n ASP 418 Cb 0.30 -0.02 0.92 0.00 -0.02 0.00 0.00 41.12 42.29 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 4.22 0.30 -0.01 0.53 3.07 -1.73 0.14 117.51 124.02 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 0.90 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3h0m h ILE 419 CO 0.00 0.00 -0.38 0.18 -1.05 0.00 0.00 178.15 176.90 3h0m n LEU 420 N -3.50 1.68 -0.09 0.16 4.77 -1.26 -4.63 117.00 114.12 3h0m n LEU 420 Ca -0.00 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 55.10 3h0m n LEU 420 Cb 0.26 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3h0m n LEU 420 CO 0.24 0.32 -1.11 0.35 -1.33 0.00 0.00 177.39 175.86 3h0m n THR 421 N -0.14 1.10 0.01 -5.08 -2.24 0.41 -4.64 114.28 103.69 3h0m n THR 421 Ca 0.07 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 3h0m n THR 421 Cb 0.36 -1.07 0.27 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.22 -1.01 2.28 -1.51 -1.43 -3.07 116.25 112.73 3h0m h VAL 422 Ca -0.43 -0.92 0.22 0.00 -1.23 0.00 0.00 66.70 64.35 3h0m h VAL 422 Cb 1.73 1.07 -0.12 0.00 -2.13 0.00 0.00 31.29 31.84 3h0m h VAL 422 CO -0.05 0.31 0.61 -0.65 -1.23 0.00 0.00 177.57 176.55 3h0m h PRO 423 N 0.47 0.62 0.00 5.19 0.11 -1.84 -0.71 132.00 135.84 3h0m h PRO 423 Ca 0.09 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 3h0m h PRO 423 Cb 0.43 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3h0m h PRO 423 CO 0.02 0.41 -0.38 0.00 -0.21 0.00 0.00 178.00 177.84 3h0m h ALA 424 N 1.69 1.01 -0.04 -0.75 0.00 -1.86 -2.31 119.26 117.00 3h0m h ALA 424 Ca 0.62 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 3h0m h ALA 424 Cb 1.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.86 3h0m h ALA 424 CO -0.43 0.48 -0.76 -0.91 0.00 0.00 0.00 179.25 177.63 3h0m h ASN 425 N 0.00 0.74 -0.58 0.00 4.21 -1.30 0.21 115.58 118.86 3h0m h ASN 425 Ca -0.00 -0.71 0.10 0.00 1.21 0.00 0.00 56.30 56.90 3h0m h ASN 425 Cb 0.90 -0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 37.79 3h0m h ASN 425 CO 0.05 1.35 0.13 -0.07 -1.29 0.00 0.00 177.43 177.60 3h0m h LEU 426 N 0.20 0.03 -0.71 1.61 3.38 -1.25 -1.79 115.31 116.79 3h0m h LEU 426 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h0m h LEU 426 Cb 1.43 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3h0m h LEU 426 CO 0.15 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3h0m n ALA 427 N -2.56 2.59 -1.64 1.53 0.00 -0.88 -4.87 120.51 114.68 3h0m n ALA 427 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 3h0m n ALA 427 Cb 0.30 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 1.10 1.05 3.86 0.00 0.00 -0.67 -4.98 105.19 105.55 3h0m n GLY 428 Ca 0.19 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.52 4.21 0.51 0.99 1.43 0.69 -2.06 118.68 120.92 3h0m s LEU 429 Ca 0.00 1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.96 3h0m s LEU 429 Cb 0.00 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3h0m s LEU 429 CO 0.00 -0.04 1.25 -2.16 0.23 0.00 0.00 176.35 175.62 3h0m s PRO 430 N -2.55 3.44 -0.16 1.29 0.04 -1.26 -4.60 135.00 131.20 3h0m s PRO 430 Ca 0.46 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 3h0m s PRO 430 Cb -0.12 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.16 3h0m s PRO 430 CO 0.20 -0.87 0.42 0.00 0.04 0.00 0.00 177.00 176.79 3h0m s ALA 431 N -1.45 -1.05 0.05 8.56 0.00 -0.08 -1.78 121.76 126.01 3h0m s ALA 431 Ca 0.68 1.32 0.09 0.00 0.00 0.00 0.00 51.96 54.05 3h0m s ALA 431 Cb -0.34 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3h0m s ALA 431 CO 0.40 -0.22 -0.25 -1.50 0.00 0.00 0.00 175.76 174.19 3h0m s ILE 432 N 0.64 2.29 -0.18 0.00 2.07 -0.40 -1.41 121.20 124.21 3h0m s ILE 432 Ca -0.03 -1.38 -0.02 0.00 -1.41 0.00 0.00 60.65 57.81 3h0m s ILE 432 Cb -0.05 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.62 3h0m s ILE 432 CO -0.04 0.34 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.68 3h0m s SER 433 N -1.35 4.09 -0.04 4.50 0.15 -0.16 -1.68 113.70 119.22 3h0m s SER 433 Ca 0.13 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.44 3h0m s SER 433 Cb -0.10 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.54 3h0m s SER 433 CO 0.03 0.06 -0.15 -0.51 1.20 0.00 0.00 173.24 173.87 3h0m s ILE 434 N 0.96 1.26 0.01 6.45 -1.16 0.31 -1.78 121.20 127.25 3h0m s ILE 434 Ca -0.01 -0.63 -0.30 0.00 -0.51 0.00 0.00 60.65 59.20 3h0m s ILE 434 Cb -0.15 -1.08 -0.06 0.00 0.61 0.00 0.00 42.46 41.78 3h0m s ILE 434 CO -0.01 0.37 1.40 -2.84 -2.81 0.00 0.00 174.94 171.05 3h0m s PRO 435 N 0.03 4.29 -0.02 3.50 0.02 -1.26 0.74 135.00 142.30 3h0m s PRO 435 Ca -0.02 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.03 3h0m s PRO 435 Cb -0.10 -3.53 -0.09 0.00 0.02 0.00 0.00 34.50 30.79 3h0m s PRO 435 CO 0.01 -0.55 0.11 0.44 -0.33 0.00 0.00 177.00 176.68 3h0m n ILE 436 N 4.57 0.09 -3.77 2.83 -5.35 0.81 -4.86 119.36 113.68 3h0m n ILE 436 Ca 0.13 -0.17 -0.03 0.00 -0.27 0.00 0.00 62.75 62.41 3h0m n ILE 436 Cb 0.44 0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 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 -2.37 -1.64 -0.10 -1.28 0.00 -1.22 -4.89 121.76 110.27 3h0m s ALA 437 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3h0m s ALA 437 Cb 0.03 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.82 3h0m s ALA 437 CO 0.26 -1.05 -0.17 -1.58 0.00 0.00 0.00 175.76 173.22 3h0m s TRP 438 N -3.13 2.02 -0.12 0.00 0.52 -1.26 -1.51 118.94 115.46 3h0m s TRP 438 Ca 0.13 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.38 3h0m s TRP 438 Cb -0.01 -1.42 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 3h0m s TRP 438 CO 0.03 -0.42 -0.11 0.15 0.02 0.00 0.00 176.95 176.61 3h0m s LYS 439 N 0.75 1.88 -1.42 4.98 -0.14 0.11 -4.68 119.74 121.22 3h0m s LYS 439 Ca -0.11 -0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.03 3h0m s LYS 439 Cb -0.16 -1.76 0.03 0.00 -1.68 0.00 0.00 37.83 34.26 3h0m s LYS 439 CO 0.02 -0.19 0.50 -0.25 -0.76 0.00 0.00 175.35 174.67 3h0m n ASP 440 N 4.64 -5.01 0.00 2.83 8.00 -1.26 -2.11 116.55 123.63 3h0m n ASP 440 Ca -0.16 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3h0m n ASP 440 Cb 0.50 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 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 -1.32 1.01 3.43 0.44 0.00 -1.26 -5.05 105.19 102.44 3h0m n GLY 441 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 2.52 0.66 0.99 1.43 -0.90 -4.90 118.68 118.48 3h0m s LEU 442 Ca 0.00 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 3h0m s LEU 442 Cb 0.00 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 3h0m s LEU 442 CO 0.00 0.30 1.16 -2.84 0.23 0.00 0.00 176.35 175.21 3h0m s PRO 443 N -0.99 2.67 -0.04 1.29 0.02 -1.26 -0.71 135.00 135.98 3h0m s PRO 443 Ca 0.12 1.63 0.02 0.00 0.02 0.00 0.00 61.00 62.79 3h0m s PRO 443 Cb -0.10 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3h0m s PRO 443 CO 0.02 -1.39 -0.08 0.08 -0.33 0.00 0.00 177.00 175.29 3h0m s VAL 444 N -2.00 0.79 -0.14 3.83 1.01 -0.57 -4.65 120.40 118.68 3h0m s VAL 444 Ca 0.72 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 3h0m s VAL 444 Cb -0.26 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3h0m s VAL 444 CO 0.39 0.26 0.11 -0.83 0.00 0.00 0.00 175.10 175.04 3h0m s GLY 445 N 0.52 2.07 -0.14 4.51 0.00 -1.26 -0.13 107.32 112.89 3h0m s GLY 445 Ca -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 3h0m s GLY 445 CO 0.01 -0.23 0.08 -0.32 0.00 0.00 0.00 173.10 172.64 3h0m s GLY 446 N -0.53 2.00 -0.13 0.20 0.00 0.23 -1.68 107.32 107.40 3h0m s GLY 446 Ca 0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 3h0m s GLY 446 CO 0.02 -0.23 0.02 1.62 0.00 0.00 0.00 173.10 174.53 3h0m s GLN 447 N -0.40 3.45 -0.14 2.90 0.74 0.11 -0.53 119.66 125.78 3h0m s GLN 447 Ca 0.10 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.14 3h0m s GLN 447 Cb -0.12 -2.97 0.01 0.00 1.10 0.00 0.00 33.01 31.03 3h0m s GLN 447 CO 0.02 0.50 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.55 3h0m s LEU 448 N -0.29 1.96 -0.22 3.68 1.43 -0.67 -1.69 118.68 122.87 3h0m s LEU 448 Ca 0.07 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 3h0m s LEU 448 Cb -0.12 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3h0m s LEU 448 CO 0.02 0.03 0.14 -0.63 0.23 0.00 0.00 176.35 176.14 3h0m s ILE 449 N 1.02 5.26 0.49 -0.59 1.01 0.90 -1.27 121.20 128.03 3h0m s ILE 449 Ca -0.03 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.83 3h0m s ILE 449 Cb -0.15 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.91 3h0m s ILE 449 CO -0.05 0.38 0.42 -0.83 0.00 0.00 0.00 174.94 174.86 3h0m s GLY 450 N 0.82 2.23 0.68 6.18 0.00 -0.74 -1.11 107.32 115.38 3h0m s GLY 450 Ca 0.07 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.03 3h0m s GLY 450 CO 0.02 -1.83 1.09 0.54 0.00 0.00 0.00 173.10 172.93 3h0m s LYS 451 N -4.24 2.74 -0.14 2.90 1.02 -1.26 -4.10 119.74 116.65 3h0m s LYS 451 Ca 0.42 1.26 -0.40 0.00 0.02 0.00 0.00 55.97 57.28 3h0m s LYS 451 Cb -0.02 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.16 3h0m s LYS 451 CO 0.25 -1.28 1.48 0.72 -0.92 0.00 0.00 175.35 175.60 3h0m n HIS 452 N -2.73 1.60 -0.98 3.18 8.25 -1.26 -1.15 115.22 122.13 3h0m n HIS 452 Ca 0.09 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 3h0m n HIS 452 Cb 0.53 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.31 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 3.56 0.00 -1.99 4.41 7.02 -1.26 -4.93 117.44 124.25 3h0m n TRP 453 Ca 0.23 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.33 3h0m n TRP 453 Cb 0.12 -0.08 0.03 0.00 -2.42 0.00 0.00 31.31 28.96 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 -0.02 7.11 0.20 -0.99 2.03 -0.30 -4.61 116.55 119.98 3h0m n ASP 454 Ca 0.00 -3.82 0.05 0.00 0.52 0.00 0.00 54.79 51.54 3h0m n ASP 454 Cb 0.01 -0.97 0.43 0.00 -0.72 0.00 0.00 41.12 39.87 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 2.92 0.00 -0.17 -0.67 3.07 -1.92 -3.10 114.58 114.70 3h0m h GLU 455 Ca 0.53 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.44 3h0m h GLU 455 Cb 0.17 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.02 3h0m h GLU 455 CO 1.35 0.32 -0.30 1.15 -1.40 0.00 0.00 179.01 180.13 3h0m h THR 456 N 0.00 0.30 -0.04 1.13 2.02 -1.98 -0.08 112.91 114.26 3h0m h THR 456 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h0m h THR 456 Cb 0.64 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3h0m h THR 456 CO 0.04 0.00 0.03 0.74 0.37 0.00 0.00 175.52 176.70 3h0m h THR 457 N -0.35 1.02 -0.97 3.16 2.02 -1.93 0.34 112.91 116.20 3h0m h THR 457 Ca 0.11 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 67.42 3h0m h THR 457 Cb 0.53 0.99 -0.11 0.00 -1.74 0.00 0.00 68.15 67.82 3h0m h THR 457 CO -0.37 0.02 0.56 -0.07 0.37 0.00 0.00 175.52 176.03 3h0m h LEU 458 N 0.04 0.68 -0.10 2.58 4.07 -1.55 -1.24 115.31 119.81 3h0m h LEU 458 Ca 0.01 0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.93 3h0m h LEU 458 Cb 0.01 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.76 3h0m h LEU 458 CO -0.00 0.21 -0.53 -0.07 -1.08 0.00 0.00 178.44 176.96 3h0m h LEU 459 N 0.68 0.64 -0.01 1.67 3.38 0.80 -2.64 115.31 119.82 3h0m h LEU 459 Ca 0.57 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h0m h LEU 459 Cb 0.94 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3h0m h LEU 459 CO -0.41 1.19 -0.10 1.56 0.09 0.00 0.00 178.44 180.77 3h0m h GLN 460 N 0.13 -0.16 -0.23 1.13 4.20 0.41 -0.02 115.11 120.58 3h0m h GLN 460 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3h0m h GLN 460 Cb 1.18 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 3h0m h GLN 460 CO 0.11 -0.10 0.05 0.82 -0.67 0.00 0.00 178.83 179.04 3h0m h ILE 461 N -0.16 1.12 -0.68 2.54 2.04 -1.33 -0.48 117.51 120.56 3h0m h ILE 461 Ca 0.04 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3h0m h ILE 461 Cb 0.22 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3h0m h ILE 461 CO -0.11 0.15 0.11 -1.28 0.00 0.00 0.00 178.15 177.01 3h0m h SER 462 N 0.33 1.08 -0.40 1.72 0.87 -0.99 -0.53 113.55 115.62 3h0m h SER 462 Ca 0.08 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3h0m h SER 462 Cb 0.14 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3h0m h SER 462 CO -0.00 1.06 0.16 0.22 -0.53 0.00 0.00 176.83 177.74 3h0m h TYR 463 N 1.05 0.61 -0.49 2.24 3.20 0.10 -2.36 116.97 121.31 3h0m h TYR 463 Ca 0.21 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3h0m h TYR 463 Cb 0.45 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3h0m h TYR 463 CO 0.03 0.54 0.17 1.25 -1.64 0.00 0.00 178.16 178.52 3h0m h LEU 464 N 0.50 0.71 -1.42 2.82 6.46 -0.97 -2.96 115.31 120.44 3h0m h LEU 464 Ca 0.13 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 3h0m h LEU 464 Cb 0.19 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3h0m h LEU 464 CO -0.01 0.71 0.00 -0.25 -0.62 0.00 0.00 178.44 178.27 3h0m h TRP 465 N 0.66 0.39 0.00 1.25 2.91 -0.96 -2.75 115.95 117.45 3h0m h TRP 465 Ca 0.16 -0.03 -0.12 0.00 1.13 0.00 0.00 58.89 60.04 3h0m h TRP 465 Cb 0.24 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 3h0m h TRP 465 CO 0.01 0.39 -0.56 1.05 -1.03 0.00 0.00 178.44 178.30 3h0m h GLU 466 N 0.37 0.00 -0.31 2.65 4.11 -1.27 0.27 114.58 120.40 3h0m h GLU 466 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3h0m h GLU 466 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3h0m h GLU 466 CO 0.01 0.56 0.20 1.96 0.07 0.00 0.00 179.01 181.81 3h0m h GLN 467 N 0.00 0.41 -0.15 1.06 1.08 -1.37 -2.77 115.11 113.37 3h0m h GLN 467 Ca -0.01 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 56.99 3h0m h GLN 467 Cb 1.18 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3h0m h GLN 467 CO 0.07 0.29 -0.63 0.87 -0.95 0.00 0.00 178.83 178.48 3h0m h LYS 468 N 0.41 0.53 -3.18 1.46 1.57 -1.33 -3.42 116.57 112.61 3h0m h LYS 468 Ca 0.11 -0.37 -0.50 0.00 -1.87 0.00 0.00 60.65 58.02 3h0m h LYS 468 Cb -0.03 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 31.93 3h0m h LYS 468 CO -0.02 0.99 -0.76 0.12 -0.57 0.00 0.00 179.45 179.21 3h0m s PHE 469 N -3.85 0.57 -1.28 -1.35 5.36 0.91 -5.06 117.98 113.28 3h0m s PHE 469 Ca -0.07 -0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 55.09 3h0m s PHE 469 Cb 0.11 -0.90 0.15 0.00 -0.34 0.00 0.00 43.02 42.03 3h0m s PHE 469 CO 0.85 -0.63 1.75 1.63 -1.46 0.00 0.00 175.22 177.36 3h0m n LYS 470 N 5.18 3.44 0.22 10.12 5.02 -1.06 -4.17 118.16 136.90 3h0m n LYS 470 Ca -0.07 -3.54 0.15 0.00 -2.02 0.00 0.00 58.31 52.84 3h0m n LYS 470 Cb 0.47 -3.04 0.66 0.00 -0.02 0.00 0.00 35.03 33.09 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 6.36 0.00 0.00 2.13 2.07 -1.91 -2.81 115.15 121.00 3h0m h HIS 471 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3h0m h HIS 471 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 3h0m h HIS 471 CO 1.23 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.57 3h0m n TYR 472 N -2.71 0.07 0.09 6.12 0.18 -1.26 -2.40 117.16 117.24 3h0m n TYR 472 Ca 0.01 0.02 0.10 0.00 1.88 0.00 0.00 57.90 59.91 3h0m n TYR 472 Cb 0.24 -0.54 -0.02 0.00 -0.38 0.00 0.00 39.34 38.64 3h0m n TYR 472 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3h0m n GLU 473 N -1.56 0.61 -2.25 -3.48 1.02 -1.06 -4.75 120.64 109.17 3h0m n GLU 473 Ca 0.05 0.13 -0.39 0.00 -0.02 0.00 0.00 57.16 56.92 3h0m n GLU 473 Cb 0.23 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 3h0m n GLU 473 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3h0m s LYS 474 N -3.31 2.86 -0.21 3.49 -0.14 -1.01 -4.98 119.74 116.44 3h0m s LYS 474 Ca -0.01 0.22 -0.03 0.00 -1.36 0.00 0.00 55.97 54.79 3h0m s LYS 474 Cb 0.10 -4.34 -0.00 0.00 -1.68 0.00 0.00 37.83 31.90 3h0m s LYS 474 CO 0.80 -2.51 -0.07 0.42 -0.76 0.00 0.00 175.35 173.22 3h0m s ILE 475 N 7.72 3.14 0.88 2.17 1.01 -1.26 -5.06 121.20 129.79 3h0m s ILE 475 Ca 0.54 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 3h0m s ILE 475 Cb -0.10 -2.41 0.17 0.00 0.01 0.00 0.00 42.46 40.12 3h0m s ILE 475 CO 0.17 0.45 1.22 -2.16 0.00 0.00 0.00 174.94 174.62 3h0m s PRO 476 N 1.41 1.05 -1.34 2.79 0.04 -1.26 -4.35 135.00 133.34 3h0m s PRO 476 Ca 0.05 -0.51 -0.14 0.00 0.04 0.00 0.00 61.00 60.43 3h0m s PRO 476 Cb -0.14 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3h0m s PRO 476 CO -0.05 -2.08 0.45 1.28 0.04 0.00 0.00 177.00 176.65 3h0m n LEU 477 N -3.48 -1.38 0.00 -3.56 4.77 -1.26 -4.89 117.00 107.19 3h0m n LEU 477 Ca 0.14 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3h0m n LEU 477 Cb 0.60 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 3h0m n LEU 477 CO 0.46 0.57 0.00 0.35 -1.33 0.00 0.00 177.39 177.44