#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 0.20 -0.89 7.94 -1.26 -4.27 117.00 118.72 3h0m n LEU 2 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 3h0m n LEU 2 Cb 0.00 0.00 0.67 0.00 0.53 0.00 0.00 43.42 44.62 3h0m n LEU 2 CO 0.00 0.00 0.93 4.11 -1.11 0.00 0.00 177.39 181.32 3h0m h TRP 3 N 0.00 0.00 -0.00 1.96 5.08 -1.90 -1.13 115.95 119.96 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 -2.56 0.65 -3.71 0.12 4.81 -1.26 -4.90 118.16 111.31 3h0m n LYS 4 Ca 0.00 -0.13 -0.31 0.00 -0.87 0.00 0.00 58.31 57.01 3h0m n LYS 4 Cb 0.18 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.69 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 -2.43 3.57 0.85 1.64 1.02 -0.43 -4.84 119.74 119.12 3h0m s LYS 5 Ca 0.32 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.99 3h0m s LYS 5 Cb 0.20 -2.87 0.10 0.00 -0.52 0.00 0.00 37.83 34.75 3h0m s LYS 5 CO 0.45 0.47 1.16 -1.54 -0.92 0.00 0.00 175.35 174.98 3h0m s SER 6 N -2.60 4.08 0.48 2.83 1.04 -1.26 -4.81 113.70 113.46 3h0m s SER 6 Ca 0.40 0.84 0.23 0.00 0.48 0.00 0.00 55.95 57.90 3h0m s SER 6 Cb -0.12 -1.36 1.20 0.00 0.10 0.00 0.00 66.02 65.84 3h0m s SER 6 CO 0.26 -2.18 1.99 -0.07 0.98 0.00 0.00 173.24 174.22 3h0m h LEU 7 N -1.24 0.00 -0.06 2.42 3.38 -1.97 0.27 115.31 118.11 3h0m h LEU 7 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3h0m h LEU 7 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3h0m h LEU 7 CO 0.64 0.19 -0.07 0.28 0.09 0.00 0.00 178.44 179.57 3h0m h SER 8 N 0.00 0.16 -0.47 -0.43 0.02 -1.99 0.14 113.55 110.99 3h0m h SER 8 Ca -0.00 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 3h0m h SER 8 Cb 0.44 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3h0m h SER 8 CO 0.02 0.64 0.22 -0.33 -1.14 0.00 0.00 176.83 176.24 3h0m h GLU 9 N -0.31 0.67 -0.38 3.45 5.08 -1.85 -2.59 114.58 118.65 3h0m h GLU 9 Ca 0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3h0m h GLU 9 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3h0m h GLU 9 CO 0.02 0.57 0.19 -0.07 -1.00 0.00 0.00 179.01 178.72 3h0m h LEU 10 N 0.61 0.50 0.10 1.33 4.07 -0.47 -2.86 115.31 118.59 3h0m h LEU 10 Ca 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3h0m h LEU 10 Cb 0.13 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h0m h LEU 10 CO -0.02 0.49 -0.09 -0.09 -1.08 0.00 0.00 178.44 177.65 3h0m h ARG 11 N 0.48 -0.19 -0.91 1.13 2.43 -0.65 -1.17 114.38 115.50 3h0m h ARG 11 Ca 0.13 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3h0m h ARG 11 Cb 0.12 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 3h0m h ARG 11 CO -0.02 -0.13 0.60 1.49 -1.51 0.00 0.00 179.97 180.41 3h0m h GLU 12 N -0.20 1.19 -0.15 0.20 4.81 -1.47 0.19 114.58 119.15 3h0m h GLU 12 Ca 0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3h0m h GLU 12 Cb 0.19 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3h0m h GLU 12 CO -0.02 0.79 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.68 3h0m h LEU 13 N 1.22 0.28 0.08 1.64 4.07 -1.27 -2.77 115.31 118.56 3h0m h LEU 13 Ca 0.34 -0.09 -0.28 0.00 0.08 0.00 0.00 57.88 57.92 3h0m h LEU 13 Cb -0.12 -0.08 0.03 0.00 1.08 0.00 0.00 40.66 41.57 3h0m h LEU 13 CO -0.08 0.57 -1.15 -0.07 -1.08 0.00 0.00 178.44 176.64 3h0m h LEU 14 N 0.25 0.88 -0.95 1.67 3.38 -0.16 -0.78 115.31 119.59 3h0m h LEU 14 Ca 0.04 -0.79 -0.06 0.00 0.09 0.00 0.00 57.88 57.15 3h0m h LEU 14 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3h0m h LEU 14 CO 0.05 1.57 0.10 0.11 0.09 0.00 0.00 178.44 180.36 3h0m h LYS 15 N 0.29 0.86 -0.62 1.13 1.57 -0.66 -2.66 116.57 116.48 3h0m h LYS 15 Ca -0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3h0m h LYS 15 Cb 1.82 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3h0m h LYS 15 CO 0.22 0.80 0.00 0.54 -0.57 0.00 0.00 179.45 180.44 3h0m n ARG 16 N -4.25 4.48 -0.58 3.15 1.74 -1.05 -4.95 116.66 115.20 3h0m n ARG 16 Ca 0.04 -2.90 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 3h0m n ARG 16 Cb 0.25 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3h0m n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0m n GLY 17 N 0.67 0.45 0.36 -0.13 0.00 -1.00 -4.78 105.19 100.75 3h0m n GLY 17 Ca 0.26 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.46 3h0m n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 18 N 1.01 0.00 -4.61 1.61 5.08 -1.45 -3.41 114.58 112.81 3h0m h GLU 18 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3h0m h GLU 18 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 3h0m h GLU 18 CO 0.00 0.00 -0.70 0.54 -1.00 0.00 0.00 179.01 177.85 3h0m s VAL 19 N -4.85 0.64 0.15 3.13 0.11 -0.70 -5.02 120.40 113.85 3h0m s VAL 19 Ca -0.05 -1.77 0.07 0.00 -2.93 0.00 0.00 61.98 57.30 3h0m s VAL 19 Cb 0.18 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 3h0m s VAL 19 CO 0.64 -0.79 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.65 3h0m s SER 20 N -2.77 4.66 0.34 3.54 1.04 -1.26 -4.43 113.70 114.82 3h0m s SER 20 Ca 0.08 -0.39 0.12 0.00 0.48 0.00 0.00 55.95 56.24 3h0m s SER 20 Cb 0.03 -0.96 0.94 0.00 0.10 0.00 0.00 66.02 66.12 3h0m s SER 20 CO -0.04 0.12 1.75 -0.65 0.98 0.00 0.00 173.24 175.40 3h0m h PRO 21 N 3.03 0.53 -0.84 4.02 0.11 -1.89 -0.93 132.00 136.03 3h0m h PRO 21 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3h0m h PRO 21 Cb 1.19 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3h0m h PRO 21 CO 0.56 0.35 0.42 -0.22 -0.21 0.00 0.00 178.00 178.90 3h0m h LYS 22 N 0.55 1.19 -0.19 1.05 3.64 -1.90 -2.07 116.57 118.84 3h0m h LYS 22 Ca 0.62 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 3h0m h LYS 22 Cb 1.27 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3h0m h LYS 22 CO -0.40 0.90 -0.02 0.93 -2.27 0.00 0.00 179.45 178.59 3h0m h GLU 23 N 1.19 0.35 -0.42 1.90 5.08 -1.59 0.68 114.58 121.76 3h0m h GLU 23 Ca 0.29 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 3h0m h GLU 23 Cb 0.09 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 3h0m h GLU 23 CO -0.04 0.58 -0.17 0.28 -1.00 0.00 0.00 179.01 178.66 3h0m h VAL 24 N 0.09 0.45 -0.46 3.13 2.07 -1.33 0.40 116.25 120.61 3h0m h VAL 24 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3h0m h VAL 24 Cb 0.43 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3h0m h VAL 24 CO 0.01 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.36 3h0m h VAL 25 N -0.08 1.21 -0.53 2.57 2.07 -1.23 -2.43 116.25 117.82 3h0m h VAL 25 Ca 0.21 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3h0m h VAL 25 Cb 0.40 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3h0m h VAL 25 CO -0.48 0.24 0.25 -0.33 0.02 0.00 0.00 177.57 177.27 3h0m h GLU 26 N 0.60 0.46 0.02 1.57 5.08 -0.02 0.97 114.58 123.26 3h0m h GLU 26 Ca 0.15 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3h0m h GLU 26 Cb 0.21 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3h0m h GLU 26 CO -0.01 0.30 -0.37 1.03 -1.00 0.00 0.00 179.01 178.96 3h0m h SER 27 N 0.47 -1.12 0.02 1.42 0.87 0.08 -0.61 113.55 114.69 3h0m h SER 27 Ca 0.24 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 3h0m h SER 27 Cb 0.19 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 3h0m h SER 27 CO -0.19 -0.43 -0.19 -0.26 -0.53 0.00 0.00 176.83 175.23 3h0m h PHE 28 N -0.54 0.33 -0.68 2.24 0.04 -1.29 -2.29 116.94 114.75 3h0m h PHE 28 Ca 0.05 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h0m h PHE 28 Cb 0.62 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3h0m h PHE 28 CO -0.38 0.49 0.42 -0.92 -0.60 0.00 0.00 178.31 177.32 3h0m h TYR 29 N 0.28 0.88 0.12 -0.55 3.20 -0.34 0.25 116.97 120.82 3h0m h TYR 29 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3h0m h TYR 29 Cb 0.50 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3h0m h TYR 29 CO 0.01 0.59 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.62 3h0m h ASP 30 N 0.92 -0.14 -0.97 -2.11 5.19 -0.65 0.17 116.42 118.83 3h0m h ASP 30 Ca 0.24 -0.16 0.13 0.00 -0.62 0.00 0.00 57.03 56.63 3h0m h ASP 30 Cb -0.05 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.41 3h0m h ASP 30 CO -0.05 0.08 0.62 -0.09 -3.12 0.00 0.00 179.24 176.67 3h0m h ARG 31 N -0.35 0.87 -0.14 3.56 9.65 -1.25 0.36 114.38 127.08 3h0m h ARG 31 Ca -0.02 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3h0m h ARG 31 Cb 0.28 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3h0m h ARG 31 CO 0.03 0.57 0.00 -0.92 2.80 0.00 0.00 179.97 182.45 3h0m h TYR 32 N 0.90 -0.00 -0.63 2.20 3.20 -0.18 -1.99 116.97 120.46 3h0m h TYR 32 Ca 0.49 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.34 3h0m h TYR 32 Cb 0.59 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3h0m h TYR 32 CO -0.00 -0.02 0.26 -0.91 -1.64 0.00 0.00 178.16 175.85 3h0m h ASN 33 N 0.05 0.83 -0.70 -2.11 2.35 0.14 0.25 115.58 116.39 3h0m h ASN 33 Ca 0.07 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3h0m h ASN 33 Cb 0.08 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3h0m h ASN 33 CO -0.11 0.74 0.42 1.56 -1.65 0.00 0.00 177.43 178.39 3h0m h GLN 34 N 0.90 0.77 0.00 0.81 4.20 -0.25 -3.39 115.11 118.15 3h0m h GLN 34 Ca 0.21 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 3h0m h GLN 34 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3h0m h GLN 34 CO -0.02 0.51 -1.68 -2.37 -0.67 0.00 0.00 178.83 174.59 3h0m n THR 35 N -4.71 0.68 -0.16 -0.54 5.66 -0.77 -4.69 114.28 109.76 3h0m n THR 35 Ca 0.08 -0.41 0.09 0.00 -3.05 0.00 0.00 64.05 60.76 3h0m n THR 35 Cb 0.14 -0.75 0.41 0.00 -1.55 0.00 0.00 70.33 68.58 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 0.60 -0.23 1.09 4.57 -0.72 -0.56 114.58 119.33 3h0m h GLU 36 Ca -0.27 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3h0m h GLU 36 Cb 1.60 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 3h0m h GLU 36 CO 0.01 0.40 0.07 1.49 -1.18 0.00 0.00 179.01 179.80 3h0m h GLU 37 N 0.62 0.33 0.00 1.92 4.81 -1.83 0.15 114.58 120.57 3h0m h GLU 37 Ca 0.32 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3h0m h GLU 37 Cb 0.43 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3h0m h GLU 37 CO -0.11 0.30 -0.32 0.87 -0.73 0.00 0.00 179.01 179.02 3h0m h LYS 38 N 0.33 0.00 0.02 1.92 1.57 -1.47 -3.42 116.57 115.51 3h0m h LYS 38 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h0m h LYS 38 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3h0m h LYS 38 CO -0.01 0.82 -0.01 0.28 -0.57 0.00 0.00 179.45 179.97 3h0m h VAL 39 N -1.00 1.46 -4.97 0.50 2.07 -1.13 -3.42 116.25 109.76 3h0m h VAL 39 Ca -0.08 -1.93 -0.25 0.00 0.82 0.00 0.00 66.70 65.26 3h0m h VAL 39 Cb 0.92 2.68 0.15 0.00 -1.52 0.00 0.00 31.29 33.51 3h0m h VAL 39 CO -0.05 0.47 -0.65 0.29 0.02 0.00 0.00 177.57 177.65 3h0m n LYS 40 N -4.69 -4.17 0.08 1.57 5.02 0.51 -0.88 118.16 115.60 3h0m n LYS 40 Ca -0.08 0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 56.84 3h0m n LYS 40 Cb 0.38 -5.16 0.10 0.00 -0.02 0.00 0.00 35.03 30.33 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 0.46 0.79 -3.01 7.82 0.00 -1.87 -3.38 119.26 120.06 3h0m h ALA 41 Ca -0.48 -0.56 -0.65 0.00 0.00 0.00 0.00 54.91 53.21 3h0m h ALA 41 Cb 1.27 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3h0m h ALA 41 CO 0.39 0.74 -0.55 0.71 0.00 0.00 0.00 179.25 180.54 3h0m s TYR 42 N -3.71 3.36 -0.19 0.00 1.51 -1.26 0.95 117.35 118.01 3h0m s TYR 42 Ca -0.04 0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 56.08 3h0m s TYR 42 Cb 0.12 -1.76 -0.21 0.00 -0.11 0.00 0.00 41.96 39.99 3h0m s TYR 42 CO 0.81 0.58 0.28 0.82 -1.11 0.00 0.00 175.55 176.93 3h0m h ILE 43 N 3.11 0.91 -3.21 2.71 2.04 -0.06 -3.43 117.51 119.58 3h0m h ILE 43 Ca -0.49 -2.22 -0.59 0.00 1.00 0.00 0.00 64.86 62.56 3h0m h ILE 43 Cb 1.18 2.34 -0.40 0.00 -0.74 0.00 0.00 36.82 39.20 3h0m h ILE 43 CO 0.64 0.44 -0.75 -0.89 0.00 0.00 0.00 178.15 177.58 3h0m s THR 44 N -2.39 1.01 0.29 -0.27 2.01 -0.71 -4.98 115.64 110.59 3h0m s THR 44 Ca -0.27 -1.47 -0.29 0.00 0.31 0.00 0.00 61.69 59.96 3h0m s THR 44 Cb 0.06 -1.75 -0.10 0.00 0.01 0.00 0.00 72.50 70.71 3h0m s THR 44 CO 0.63 -0.66 1.15 -2.16 -0.69 0.00 0.00 174.62 172.90 3h0m s PRO 45 N 1.55 4.56 -0.08 4.92 0.04 -1.26 0.90 135.00 145.63 3h0m s PRO 45 Ca 0.10 1.91 0.15 0.00 0.04 0.00 0.00 61.00 63.20 3h0m s PRO 45 Cb -0.17 -3.16 0.31 0.00 0.04 0.00 0.00 34.50 31.51 3h0m s PRO 45 CO -0.23 0.10 1.14 1.28 0.04 0.00 0.00 177.00 179.33 3h0m n LEU 46 N 1.17 1.49 -0.29 -3.56 4.77 0.34 -4.80 117.00 116.12 3h0m n LEU 46 Ca -0.01 -2.50 -0.06 0.00 -0.03 0.00 0.00 56.01 53.42 3h0m n LEU 46 Cb 0.44 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3h0m n LEU 46 CO 0.55 0.73 1.08 1.88 -1.33 0.00 0.00 177.39 180.31 3h0m h TYR 47 N 0.62 1.14 -0.28 -1.77 -1.99 -1.82 0.59 116.97 113.46 3h0m h TYR 47 Ca -0.08 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.65 3h0m h TYR 47 Cb 1.39 -0.35 -0.08 0.00 2.00 0.00 0.00 36.73 39.69 3h0m h TYR 47 CO 0.29 0.84 -0.33 0.78 -0.00 0.00 0.00 178.16 179.74 3h0m h GLY 48 N 1.11 -0.36 1.45 3.88 0.00 -1.91 0.32 103.07 107.55 3h0m h GLY 48 Ca 0.27 0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.89 3h0m h GLY 48 CO -0.03 -0.21 -0.32 1.70 0.00 0.00 0.00 176.54 177.68 3h0m h LYS 49 N -0.32 0.63 -0.30 4.80 3.64 -1.82 -2.92 116.57 120.27 3h0m h LYS 49 Ca 0.13 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 3h0m h LYS 49 Cb 0.55 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3h0m h LYS 49 CO -0.46 0.86 -0.27 0.00 -2.27 0.00 0.00 179.45 177.31 3h0m h ALA 50 N 1.12 0.96 -0.50 5.00 0.00 -0.45 -1.09 119.26 124.30 3h0m h ALA 50 Ca 0.06 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3h0m h ALA 50 Cb 0.81 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3h0m h ALA 50 CO 0.07 0.60 0.05 -0.07 0.00 0.00 0.00 179.25 179.90 3h0m h LEU 51 N 0.53 -0.12 -0.52 0.00 4.07 -0.20 0.38 115.31 119.45 3h0m h LEU 51 Ca 0.07 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.04 3h0m h LEU 51 Cb 0.74 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 3h0m h LEU 51 CO 0.06 -0.03 -0.04 0.11 -1.08 0.00 0.00 178.44 177.46 3h0m h LYS 52 N 0.17 0.94 0.00 1.13 1.57 -1.32 -3.01 116.57 116.04 3h0m h LYS 52 Ca 0.25 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3h0m h LYS 52 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3h0m h LYS 52 CO -0.38 0.98 -0.21 1.96 -0.57 0.00 0.00 179.45 181.22 3h0m h GLN 53 N 0.81 0.00 -0.26 3.15 4.20 -0.81 -2.73 115.11 119.47 3h0m h GLN 53 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3h0m h GLN 53 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3h0m h GLN 53 CO 0.03 0.21 -0.25 0.00 -0.67 0.00 0.00 178.83 178.16 3h0m h ALA 54 N 1.79 1.09 -0.86 3.87 0.00 -0.79 -3.06 119.26 121.30 3h0m h ALA 54 Ca -0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3h0m h ALA 54 Cb 0.54 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3h0m h ALA 54 CO 0.03 0.56 0.56 0.93 0.00 0.00 0.00 179.25 181.33 3h0m h GLU 55 N 0.44 0.94 -0.00 0.00 5.08 -1.48 -1.92 114.58 117.62 3h0m h GLU 55 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h0m h GLU 55 Cb 0.67 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3h0m h GLU 55 CO 0.05 0.62 -0.21 0.45 -1.00 0.00 0.00 179.01 178.92 3h0m n SER 56 N -4.49 0.61 -4.65 1.42 2.88 -1.16 -4.84 113.62 103.39 3h0m n SER 56 Ca 0.13 -0.54 -0.43 0.00 -1.33 0.00 0.00 58.87 56.70 3h0m n SER 56 Cb 0.21 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 3h0m n SER 56 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3h0m s LEU 57 N -2.60 4.08 0.00 2.46 0.20 -0.72 -4.89 118.68 117.20 3h0m s LEU 57 Ca 0.24 1.25 0.00 0.00 0.69 0.00 0.00 54.13 56.31 3h0m s LEU 57 Cb 0.19 -3.46 0.00 0.00 -0.43 0.00 0.00 46.19 42.49 3h0m s LEU 57 CO 0.53 -0.66 0.00 0.29 -0.29 0.00 0.00 176.35 176.21 3h0m n LYS 58 N 6.32 0.00 -1.69 1.98 5.02 -1.26 -4.95 118.16 123.59 3h0m n LYS 58 Ca 0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.00 3h0m n LYS 58 Cb 0.46 -0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 35.08 3h0m n LYS 58 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3h0m s GLU 59 N -2.00 2.62 0.35 1.97 0.41 -1.26 -4.86 118.70 115.92 3h0m s GLU 59 Ca 0.00 1.49 0.17 0.00 -0.41 0.00 0.00 54.97 56.22 3h0m s GLU 59 Cb 0.00 -4.45 0.57 0.00 -1.78 0.00 0.00 34.13 28.47 3h0m s GLU 59 CO 0.00 -2.69 1.69 0.00 -0.49 0.00 0.00 175.26 173.76 3h0m h ARG 60 N 16.86 0.00 -0.00 1.61 3.08 -1.95 -3.23 114.38 130.75 3h0m h ARG 60 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3h0m h ARG 60 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3h0m h ARG 60 CO 1.09 0.43 -0.00 -1.91 -1.07 0.00 0.00 179.97 178.51 3h0m n GLU 61 N -3.54 0.86 -1.74 0.04 2.13 -1.26 -4.66 120.64 112.48 3h0m n GLU 61 Ca -0.00 -0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.37 3h0m n GLU 61 Cb 0.55 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.74 3h0m n GLU 61 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h0m n LEU 62 N -1.04 4.24 0.07 4.31 4.32 -1.22 -4.88 117.00 122.79 3h0m n LEU 62 Ca 0.21 1.12 0.18 0.00 -0.02 0.00 0.00 56.01 57.50 3h0m n LEU 62 Cb 0.15 -1.59 0.70 0.00 -1.62 0.00 0.00 43.42 41.07 3h0m n LEU 62 CO 0.19 0.16 1.16 -0.65 -1.22 0.00 0.00 177.39 177.04 3h0m h PRO 63 N 5.44 0.00 -0.07 3.23 0.11 -1.87 0.78 132.00 139.63 3h0m h PRO 63 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3h0m h PRO 63 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3h0m h PRO 63 CO 0.85 0.00 -0.42 1.28 -0.21 0.00 0.00 178.00 179.50 3h0m n LEU 64 N -4.29 2.98 -0.13 2.35 4.77 0.23 -4.99 117.00 117.92 3h0m n LEU 64 Ca 0.07 -3.89 -0.03 0.00 -0.03 0.00 0.00 56.01 52.13 3h0m n LEU 64 Cb 0.50 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3h0m n LEU 64 CO 0.35 1.38 0.16 0.33 -1.33 0.00 0.00 177.39 178.28 3h0m n PHE 65 N -1.12 -0.14 -1.11 -1.77 7.35 0.27 -1.29 117.46 119.65 3h0m n PHE 65 Ca 0.22 0.39 0.09 0.00 -0.76 0.00 0.00 57.45 57.40 3h0m n PHE 65 Cb 0.76 -0.50 0.16 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 -1.08 4.84 3.65 7.13 0.00 -1.26 -4.37 105.19 114.10 3h0m n GLY 66 Ca 0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.91 4.85 0.50 -0.61 -1.09 -0.41 -4.77 121.20 116.75 3h0m s ILE 67 Ca 0.33 1.59 -0.22 0.00 -2.23 0.00 0.00 60.65 60.12 3h0m s ILE 67 Cb 0.29 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3h0m s ILE 67 CO 0.03 -0.04 1.22 -2.84 -1.23 0.00 0.00 174.94 172.08 3h0m s PRO 68 N 2.64 3.51 -0.12 2.79 0.02 -1.26 -0.30 135.00 142.27 3h0m s PRO 68 Ca 0.36 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.22 3h0m s PRO 68 Cb -0.16 -2.32 0.05 0.00 0.02 0.00 0.00 34.50 32.10 3h0m s PRO 68 CO 0.09 -0.79 0.29 -1.50 -0.33 0.00 0.00 177.00 174.76 3h0m s ILE 69 N -1.49 -0.08 0.48 2.83 2.07 -0.49 -4.40 121.20 120.13 3h0m s ILE 69 Ca 0.67 0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.95 3h0m s ILE 69 Cb -0.32 -0.45 -0.06 0.00 0.13 0.00 0.00 42.46 41.76 3h0m s ILE 69 CO 0.38 0.06 0.86 0.00 -1.91 0.00 0.00 174.94 174.33 3h0m s ALA 70 N 1.41 3.26 -0.03 1.50 0.00 -1.11 -1.67 121.76 125.12 3h0m s ALA 70 Ca -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3h0m s ALA 70 Cb -0.10 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3h0m s ALA 70 CO -0.10 -0.23 0.05 0.08 0.00 0.00 0.00 175.76 175.56 3h0m s VAL 71 N -2.63 -0.06 0.41 0.00 1.01 -0.79 -1.83 120.40 116.52 3h0m s VAL 71 Ca 0.53 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 3h0m s VAL 71 Cb -0.10 -0.12 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 3h0m s VAL 71 CO 0.38 0.09 1.47 -0.75 0.00 0.00 0.00 175.10 176.29 3h0m s LYS 72 N 1.18 3.91 -0.03 2.72 2.20 -0.95 -0.52 119.74 128.23 3h0m s LYS 72 Ca -0.08 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 3h0m s LYS 72 Cb -0.13 -2.82 0.05 0.00 -1.51 0.00 0.00 37.83 33.42 3h0m s LYS 72 CO -0.04 -0.68 1.17 -3.47 -0.36 0.00 0.00 175.35 171.98 3h0m n ASP 73 N 0.15 3.34 -0.01 1.43 2.03 -0.99 -1.54 116.55 120.96 3h0m n ASP 73 Ca 0.03 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.18 3h0m n ASP 73 Cb 0.40 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 0.49 1.77 -4.47 1.67 6.94 -1.26 -0.02 115.26 120.38 3h0m n ASN 74 Ca 0.04 -1.75 -0.35 0.00 -0.02 0.00 0.00 54.58 52.50 3h0m n ASN 74 Cb 0.58 -0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.76 4.16 0.02 1.53 1.01 -0.59 -0.67 121.20 125.91 3h0m s ILE 75 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 3h0m s ILE 75 Cb 0.00 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 3h0m s ILE 75 CO 0.00 0.41 1.38 -0.76 0.00 0.00 0.00 174.94 175.98 3h0m s LEU 76 N 1.06 4.33 -0.19 2.97 1.43 -0.38 -4.90 118.68 123.00 3h0m s LEU 76 Ca 0.03 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 3h0m s LEU 76 Cb -0.14 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.54 3h0m s LEU 76 CO 0.02 -0.69 -0.16 -0.69 0.23 0.00 0.00 176.35 175.05 3h0m s VAL 77 N 2.14 1.95 0.26 -1.59 1.01 -1.26 -1.40 120.40 121.52 3h0m s VAL 77 Ca 0.63 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3h0m s VAL 77 Cb -0.32 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 3h0m s VAL 77 CO 0.27 0.39 1.38 -0.70 0.00 0.00 0.00 175.10 176.44 3h0m s GLU 78 N 1.30 4.32 0.00 2.72 2.12 -1.24 -2.33 118.70 125.58 3h0m s GLU 78 Ca 0.02 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.58 3h0m s GLU 78 Cb -0.15 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3h0m s GLU 78 CO -0.11 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 3h0m n GLY 79 N 1.85 2.93 3.61 -1.50 0.00 -0.22 -4.97 105.19 106.88 3h0m n GLY 79 Ca 0.05 0.00 -0.26 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 2.19 0.33 1.61 0.41 -0.99 -4.81 118.70 116.85 3h0m s GLU 80 Ca 0.00 -1.23 -0.29 0.00 -0.41 0.00 0.00 54.97 53.04 3h0m s GLU 80 Cb 0.00 -2.22 -0.11 0.00 -1.78 0.00 0.00 34.13 30.02 3h0m s GLU 80 CO 0.00 0.44 1.51 0.15 -0.49 0.00 0.00 175.26 176.87 3h0m s LYS 81 N -2.94 4.14 -0.25 1.61 1.02 -1.26 -2.07 119.74 120.00 3h0m s LYS 81 Ca 0.26 2.53 0.02 0.00 0.02 0.00 0.00 55.97 58.80 3h0m s LYS 81 Cb -0.09 -3.01 0.06 0.00 -0.52 0.00 0.00 37.83 34.28 3h0m s LYS 81 CO 0.17 -0.54 -0.07 0.99 -0.92 0.00 0.00 175.35 174.98 3h0m s THR 82 N -0.58 1.78 -0.20 2.17 2.01 -0.69 -4.87 115.64 115.25 3h0m s THR 82 Ca 0.57 -1.40 0.18 0.00 0.31 0.00 0.00 61.69 61.35 3h0m s THR 82 Cb -0.46 -1.99 -0.26 0.00 0.01 0.00 0.00 72.50 69.80 3h0m s THR 82 CO 0.55 -0.09 0.47 0.35 -0.69 0.00 0.00 174.62 175.20 3h0m n THR 83 N 4.57 0.00 -2.33 -0.82 -2.24 -1.23 -4.62 114.28 107.62 3h0m n THR 83 Ca -0.12 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 3h0m n THR 83 Cb 0.43 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.10 -1.08 -2.42 0.00 0.00 -1.26 -1.09 120.51 112.55 3h0m n ALA 85 Ca -0.09 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 3h0m n ALA 85 Cb 0.53 -3.49 -0.12 0.00 0.00 0.00 0.00 19.45 16.37 3h0m n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0m s SER 86 N -2.84 3.43 0.23 0.00 0.15 0.90 -1.55 113.70 114.03 3h0m s SER 86 Ca 0.43 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 56.23 3h0m s SER 86 Cb -0.21 -0.25 0.24 0.00 -1.71 0.00 0.00 66.02 64.09 3h0m s SER 86 CO 0.53 0.12 1.57 0.11 1.20 0.00 0.00 173.24 176.77 3h0m h LYS 87 N 3.21 0.34 0.00 5.44 1.79 -1.82 -1.99 116.57 123.54 3h0m h LYS 87 Ca -0.46 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.79 3h0m h LYS 87 Cb 1.21 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3h0m h LYS 87 CO 0.48 0.80 0.00 0.44 -1.08 0.00 0.00 179.45 180.09 3h0m n ILE 88 N -3.93 0.29 -1.26 1.86 -6.64 -0.96 -3.21 119.36 105.51 3h0m n ILE 88 Ca -0.02 0.07 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 3h0m n ILE 88 Cb 0.59 -0.75 0.00 0.00 -1.44 0.00 0.00 39.64 38.03 3h0m n ILE 88 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 3h0m n LEU 89 N -1.20 0.00 -4.69 7.28 7.94 -1.19 -1.31 117.00 123.83 3h0m n LEU 89 Ca 0.11 -0.12 -0.42 0.00 -1.11 0.00 0.00 56.01 54.47 3h0m n LEU 89 Cb 0.13 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.05 3h0m n LEU 89 CO 0.14 0.12 1.12 -1.83 -1.11 0.00 0.00 177.39 175.83 3h0m s GLU 90 N 0.00 4.28 0.00 1.96 -1.05 -0.75 -2.98 118.70 120.15 3h0m s GLU 90 Ca 0.00 1.97 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 3h0m s GLU 90 Cb 0.00 -3.57 0.00 0.00 -0.44 0.00 0.00 34.13 30.12 3h0m s GLU 90 CO 0.00 -0.57 0.00 0.09 0.95 0.00 0.00 175.26 175.73 3h0m n ASN 91 N 5.36 0.00 -4.60 0.83 3.02 -1.26 -4.74 115.26 113.87 3h0m n ASN 91 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 3h0m n ASN 91 Cb 0.44 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.64 2.53 -0.12 3.10 5.36 -1.16 -4.90 117.98 120.15 3h0m s PHE 92 Ca 0.00 0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 56.46 3h0m s PHE 92 Cb 0.00 -4.31 -0.03 0.00 -0.34 0.00 0.00 43.02 38.33 3h0m s PHE 92 CO 0.00 -1.77 0.62 0.08 -1.46 0.00 0.00 175.22 172.68 3h0m s VAL 93 N 5.10 5.08 -0.06 3.12 1.01 -1.26 -1.71 120.40 131.68 3h0m s VAL 93 Ca 0.57 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 3h0m s VAL 93 Cb -0.12 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3h0m s VAL 93 CO 0.32 0.23 1.53 0.00 0.00 0.00 0.00 175.10 177.18 3h0m s ALA 94 N 1.07 3.63 -1.20 5.51 0.00 -0.88 -4.89 121.76 125.00 3h0m s ALA 94 Ca 0.32 0.85 0.26 0.00 0.00 0.00 0.00 51.96 53.39 3h0m s ALA 94 Cb -0.16 -3.69 1.21 0.00 0.00 0.00 0.00 23.12 20.48 3h0m s ALA 94 CO 0.14 -1.25 1.86 -2.30 0.00 0.00 0.00 175.76 174.21 3h0m n PRO 95 N 6.61 0.17 -3.68 0.00 -0.02 -1.26 -1.05 135.00 135.78 3h0m n PRO 95 Ca 0.16 0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 3h0m n PRO 95 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.80 -0.20 0.02 6.00 1.13 -1.26 -4.94 117.35 115.30 3h0m s TYR 96 Ca 0.18 -0.12 -0.26 0.00 -1.41 0.00 0.00 57.07 55.46 3h0m s TYR 96 Cb 0.17 0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 41.39 3h0m s TYR 96 CO 0.44 -0.88 0.80 -0.51 -2.51 0.00 0.00 175.55 172.89 3h0m s ASP 97 N -2.85 7.22 0.66 -0.18 1.01 -1.26 -3.64 116.67 117.63 3h0m s ASP 97 Ca 0.07 1.46 -0.17 0.00 0.71 0.00 0.00 52.55 54.62 3h0m s ASP 97 Cb -0.01 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3h0m s ASP 97 CO -0.05 -0.06 1.08 0.00 0.21 0.00 0.00 175.17 176.35 3h0m n ALA 98 N 3.14 0.37 -0.13 5.23 0.00 -0.49 -4.80 120.51 123.83 3h0m n ALA 98 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.38 3h0m n ALA 98 Cb 0.50 -2.19 0.30 0.00 0.00 0.00 0.00 19.45 18.07 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 0.21 1.17 -0.63 0.00 2.02 -1.47 -1.94 112.91 112.27 3h0m h THR 99 Ca -0.49 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 3h0m h THR 99 Cb 1.35 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3h0m h THR 99 CO 0.50 0.17 0.14 -0.37 0.37 0.00 0.00 175.52 176.33 3h0m h VAL 100 N 0.84 1.26 -0.71 3.16 -1.51 -1.87 -1.69 116.25 115.72 3h0m h VAL 100 Ca 0.22 -0.95 -0.06 0.00 -1.23 0.00 0.00 66.70 64.69 3h0m h VAL 100 Cb -0.06 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 29.73 3h0m h VAL 100 CO -0.04 0.36 0.21 0.40 -1.23 0.00 0.00 177.57 177.26 3h0m h ILE 101 N 0.93 1.26 -0.88 7.19 1.08 -1.75 0.14 117.51 125.48 3h0m h ILE 101 Ca 0.20 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3h0m h ILE 101 Cb 0.37 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3h0m h ILE 101 CO 0.00 0.36 0.50 -0.08 -0.69 0.00 0.00 178.15 178.24 3h0m h GLU 102 N 1.07 1.22 -0.02 2.37 4.81 -1.13 -0.70 114.58 122.19 3h0m h GLU 102 Ca 0.23 -0.13 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 3h0m h GLU 102 Cb 0.32 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3h0m h GLU 102 CO -0.01 0.88 -0.85 0.00 -0.73 0.00 0.00 179.01 178.31 3h0m h ARG 103 N 1.23 0.31 -0.12 1.92 3.08 -0.59 -1.96 114.38 118.26 3h0m h ARG 103 Ca 0.31 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3h0m h ARG 103 Cb -0.00 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3h0m h ARG 103 CO -0.05 0.99 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.74 3h0m h LEU 104 N 0.19 0.23 -0.72 3.04 3.38 -0.61 -2.49 115.31 118.33 3h0m h LEU 104 Ca -0.05 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3h0m h LEU 104 Cb 1.46 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 3h0m h LEU 104 CO 0.14 0.56 0.39 0.11 0.09 0.00 0.00 178.44 179.73 3h0m h LYS 105 N -0.09 0.68 0.00 1.13 1.57 -1.12 0.11 116.57 118.85 3h0m h LYS 105 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3h0m h LYS 105 Cb 0.46 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3h0m h LYS 105 CO 0.01 0.45 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.08 3h0m h LYS 106 N 0.70 0.00 -0.14 3.15 3.64 -1.35 -2.10 116.57 120.47 3h0m h LYS 106 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3h0m h LYS 106 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3h0m h LYS 106 CO -0.22 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.00 3h0m n ALA 107 N -2.13 2.50 -0.28 5.00 0.00 0.32 -4.93 120.51 120.99 3h0m n ALA 107 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3h0m n ALA 107 Cb 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3h0m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 108 N 1.26 0.80 3.68 0.00 0.00 -0.79 -0.60 105.19 109.54 3h0m n GLY 108 Ca 0.17 0.00 -0.31 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 -2.66 1.44 -0.20 4.61 0.00 -0.81 -4.18 121.76 119.95 3h0m s ALA 109 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3h0m s ALA 109 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3h0m s ALA 109 CO 0.00 -2.61 -0.09 -0.51 0.00 0.00 0.00 175.76 172.55 3h0m s LEU 110 N -6.48 2.25 -0.12 0.00 1.43 0.59 -4.60 118.68 111.75 3h0m s LEU 110 Ca 0.65 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3h0m s LEU 110 Cb -0.21 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3h0m s LEU 110 CO 0.58 -0.16 1.57 -0.63 0.23 0.00 0.00 176.35 177.94 3h0m s ILE 111 N 1.42 3.75 -0.95 -0.59 1.09 -1.26 -1.39 121.20 123.27 3h0m s ILE 111 Ca -0.02 0.89 0.15 0.00 -1.10 0.00 0.00 60.65 60.58 3h0m s ILE 111 Cb -0.16 -3.63 -0.12 0.00 -1.06 0.00 0.00 42.46 37.49 3h0m s ILE 111 CO -0.08 -0.13 0.71 0.52 -0.10 0.00 0.00 174.94 175.86 3h0m n VAL 112 N 5.69 0.00 0.00 2.92 0.31 -0.67 -4.52 118.33 122.06 3h0m n VAL 112 Ca 0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3h0m n VAL 112 Cb 0.44 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 3h0m n VAL 112 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h0m n GLY 113 N 1.30 1.12 3.34 2.92 0.00 -1.26 -0.51 105.19 112.10 3h0m n GLY 113 Ca 0.04 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 3.37 -0.00 1.61 -0.14 0.26 -1.88 119.74 120.96 3h0m s LYS 114 Ca 0.00 -0.67 -0.05 0.00 -1.36 0.00 0.00 55.97 53.89 3h0m s LYS 114 Cb 0.00 -2.74 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 3h0m s LYS 114 CO 0.00 0.08 0.24 0.99 -0.76 0.00 0.00 175.35 175.89 3h0m s THR 115 N 0.71 5.35 0.72 2.17 2.01 0.32 0.63 115.64 127.56 3h0m s THR 115 Ca -0.05 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 3h0m s THR 115 Cb -0.15 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.84 3h0m s THR 115 CO 0.02 0.36 1.11 0.21 -0.69 0.00 0.00 174.62 175.63 3h0m s ASN 116 N -1.75 4.71 0.21 3.53 2.47 0.27 -2.33 114.94 122.05 3h0m s ASN 116 Ca 0.27 1.94 -0.21 0.00 0.42 0.00 0.00 52.86 55.28 3h0m s ASN 116 Cb -0.13 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3h0m s ASN 116 CO 0.16 -1.90 0.62 -1.48 -3.72 0.00 0.00 177.10 170.78 3h0m s LEU 117 N -5.43 -0.27 0.53 3.21 2.34 -1.26 -2.36 118.68 115.44 3h0m s LEU 117 Ca 0.65 -0.35 -0.21 0.00 0.06 0.00 0.00 54.13 54.27 3h0m s LEU 117 Cb -0.19 2.51 -0.05 0.00 -0.56 0.00 0.00 46.19 47.89 3h0m s LEU 117 CO 0.49 -1.12 1.25 -1.81 -1.06 0.00 0.00 176.35 174.10 3h0m s ASP 118 N -2.85 5.53 0.14 1.48 1.01 -1.13 -3.14 116.67 117.71 3h0m s ASP 118 Ca 0.07 2.51 -0.31 0.00 0.71 0.00 0.00 52.55 55.53 3h0m s ASP 118 Cb -0.03 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 3h0m s ASP 118 CO -0.03 -1.37 1.81 -0.70 0.21 0.00 0.00 175.17 175.09 3h0m s GLU 119 N -2.96 4.14 -1.67 8.23 2.12 -0.96 -0.71 118.70 126.89 3h0m s GLU 119 Ca 0.71 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.63 3h0m s GLU 119 Cb -0.34 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3h0m s GLU 119 CO 0.39 -0.83 0.00 1.19 -0.54 0.00 0.00 175.26 175.48 3h0m n PHE 120 N 5.40 -0.77 -1.49 5.30 3.72 -0.25 -2.32 117.46 127.04 3h0m n PHE 120 Ca 0.17 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.49 3h0m n PHE 120 Cb 0.38 -3.39 -0.03 0.00 -0.94 0.00 0.00 39.48 35.50 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 -0.91 -0.15 -3.65 4.37 0.00 0.11 -4.81 120.51 115.47 3h0m n ALA 121 Ca -0.20 0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3h0m n ALA 121 Cb 0.63 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.16 2.34 0.00 0.00 -1.94 -0.98 -4.66 119.30 110.89 3h0m s MET 122 Ca 0.00 -1.90 0.00 0.00 -1.71 0.00 0.00 55.69 52.08 3h0m s MET 122 Cb 0.00 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 33.05 3h0m s MET 122 CO 0.00 -1.15 0.00 0.41 -0.01 0.00 0.00 175.02 174.27 3h0m n GLY 123 N 4.58 1.32 0.11 -0.03 0.00 -1.26 -4.56 105.19 105.36 3h0m n GLY 123 Ca -0.03 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.64 3h0m n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 124 N 0.00 2.12 0.00 1.61 7.64 -1.26 -2.40 113.62 121.32 3h0m n SER 124 Ca 0.00 -2.96 0.00 0.00 1.01 0.00 0.00 58.87 56.92 3h0m n SER 124 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.28 0.00 0.00 6.43 3.41 -1.23 -1.29 113.62 119.66 3h0m n SER 125 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3h0m n SER 125 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.27 6.66 -1.04 -1.10 -4.05 114.28 115.02 3h0m n THR 126 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 3h0m n THR 126 Cb 0.00 -0.00 0.94 0.00 -1.82 0.00 0.00 70.33 69.44 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 2.13 0.00 -0.13 -2.82 5.08 -1.90 -1.50 114.58 115.44 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 -3.45 0.17 -1.63 4.33 4.01 -1.26 -4.76 117.16 114.56 3h0m n TYR 128 Ca -0.01 -0.08 -0.49 0.00 -0.16 0.00 0.00 57.90 57.16 3h0m n TYR 128 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.10 2.33 0.00 7.72 2.88 -0.56 -2.27 113.62 123.81 3h0m n SER 129 Ca 0.16 1.10 0.10 0.00 -1.33 0.00 0.00 58.87 58.89 3h0m n SER 129 Cb 0.28 -1.30 0.46 0.00 -0.75 0.00 0.00 64.21 62.90 3h0m n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0m n ALA 130 N 2.94 1.98 -0.10 -1.46 0.00 -0.60 -3.97 120.51 119.29 3h0m n ALA 130 Ca 0.18 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 3h0m n ALA 130 Cb 0.24 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 3h0m n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h0m n PHE 131 N -1.38 0.00 -3.61 0.00 3.72 -1.26 -4.95 117.46 109.98 3h0m n PHE 131 Ca 0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.42 3h0m n PHE 131 Cb 0.19 -0.72 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.47 -0.18 0.29 1.38 -0.71 -1.26 -5.16 117.98 109.88 3h0m s PHE 132 Ca -0.30 0.27 -0.29 0.00 -1.04 0.00 0.00 56.93 55.57 3h0m s PHE 132 Cb 0.10 0.48 -0.10 0.00 -1.21 0.00 0.00 43.02 42.30 3h0m s PHE 132 CO 0.38 -0.19 1.12 -1.25 -1.34 0.00 0.00 175.22 173.95 3h0m s PRO 133 N -1.39 4.61 0.29 1.99 0.04 -1.26 -4.68 135.00 134.59 3h0m s PRO 133 Ca 0.05 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 3h0m s PRO 133 Cb -0.01 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 3h0m s PRO 133 CO -0.04 0.16 0.75 0.99 0.04 0.00 0.00 177.00 178.90 3h0m s THR 134 N -1.16 4.61 -0.01 1.26 2.01 -1.26 -4.82 115.64 116.27 3h0m s THR 134 Ca 0.45 1.12 0.06 0.00 0.31 0.00 0.00 61.69 63.62 3h0m s THR 134 Cb -0.33 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3h0m s THR 134 CO 0.43 -0.04 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.59 3h0m s LYS 135 N -2.61 2.27 -0.19 4.92 1.02 -0.06 -4.37 119.74 120.72 3h0m s LYS 135 Ca 0.50 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 3h0m s LYS 135 Cb -0.13 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 3h0m s LYS 135 CO 0.19 0.58 1.82 1.21 -0.92 0.00 0.00 175.35 178.23 3h0m s ASN 136 N -0.96 6.13 0.10 2.83 3.84 0.04 -4.73 114.94 122.20 3h0m s ASN 136 Ca 0.12 1.81 0.06 0.00 0.21 0.00 0.00 52.86 55.06 3h0m s ASN 136 Cb -0.10 -2.53 0.33 0.00 -0.55 0.00 0.00 41.25 38.40 3h0m s ASN 136 CO 0.02 -1.43 1.16 -0.81 -2.79 0.00 0.00 177.10 173.25 3h0m n PRO 137 N 7.97 0.04 0.02 0.43 -0.04 -1.26 -1.07 135.00 141.09 3h0m n PRO 137 Ca 0.22 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.31 3h0m n PRO 137 Cb 0.45 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.70 0.20 -3.15 0.54 7.02 -1.26 -4.09 117.44 115.00 3h0m n TRP 138 Ca -0.00 0.06 0.05 0.00 -1.02 0.00 0.00 57.50 56.58 3h0m n TRP 138 Cb 0.05 -0.37 -0.01 0.00 -2.42 0.00 0.00 31.31 28.56 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 -3.76 -0.73 0.00 -0.99 -1.08 -0.23 -4.92 116.67 104.95 3h0m s ASP 139 Ca 0.04 0.21 0.10 0.00 -0.52 0.00 0.00 52.55 52.38 3h0m s ASP 139 Cb 0.15 1.52 0.49 0.00 -1.46 0.00 0.00 42.92 43.61 3h0m s ASP 139 CO 0.81 -0.14 1.22 0.18 0.52 0.00 0.00 175.17 177.77 3h0m n LEU 140 N 5.30 0.00 0.00 -1.34 4.77 -0.92 0.59 117.00 125.40 3h0m n LEU 140 Ca 0.03 0.32 0.14 0.00 -0.03 0.00 0.00 56.01 56.47 3h0m n LEU 140 Cb 0.55 -0.32 0.71 0.00 -2.33 0.00 0.00 43.42 42.04 3h0m n LEU 140 CO -0.11 -0.21 1.00 -0.62 -1.33 0.00 0.00 177.39 176.11 3h0m n GLU 141 N -1.32 0.33 -4.39 3.23 1.02 -1.26 -4.71 120.64 113.54 3h0m n GLU 141 Ca 0.04 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 3h0m n GLU 141 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 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 -2.66 1.68 0.41 3.49 0.52 0.20 -3.25 118.95 119.33 3h0m s ARG 142 Ca 0.25 -1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 53.77 3h0m s ARG 142 Cb 0.20 -1.93 -0.10 0.00 0.52 0.00 0.00 34.95 33.63 3h0m s ARG 142 CO 0.47 0.41 0.97 0.14 0.02 0.00 0.00 175.30 177.30 3h0m s VAL 143 N -1.71 4.23 -2.25 3.52 -7.23 -0.73 -0.78 120.40 115.45 3h0m s VAL 143 Ca 0.22 1.50 0.21 0.00 -1.81 0.00 0.00 61.98 62.10 3h0m s VAL 143 Cb -0.08 -3.67 0.46 0.00 0.56 0.00 0.00 36.38 33.65 3h0m s VAL 143 CO 0.12 -0.19 1.55 -0.81 -0.31 0.00 0.00 175.10 175.46 3h0m n PRO 144 N -0.39 1.68 0.00 4.82 -0.04 -1.26 -4.48 135.00 135.33 3h0m n PRO 144 Ca 0.06 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 3h0m n PRO 144 Cb 0.53 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.11 -3.57 3.62 0.55 0.00 -1.26 -4.38 105.19 101.26 3h0m n GLY 145 Ca 0.16 -1.91 -0.09 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 -0.70 -0.37 0.21 -0.02 0.00 -0.42 -2.72 107.32 103.30 3h0m s GLY 146 Ca 0.00 0.20 0.22 0.00 0.00 0.00 0.00 44.72 45.14 3h0m s GLY 146 CO 0.00 0.07 1.06 1.48 0.00 0.00 0.00 173.10 175.70 3h0m h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.59 -3.39 113.55 116.84 3h0m h SER 147 Ca -0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3h0m h SER 147 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3h0m h SER 147 CO 0.31 0.01 0.02 -1.20 -0.87 0.00 0.00 176.83 175.10 3h0m n SER 148 N -2.70 2.79 -0.07 4.97 7.64 -1.02 -2.85 113.62 122.37 3h0m n SER 148 Ca -0.00 -1.91 -0.11 0.00 1.01 0.00 0.00 58.87 57.86 3h0m n SER 148 Cb 0.56 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 63.02 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 4.70 -0.59 2.00 0.23 0.00 -1.70 -2.50 103.07 105.21 3h0m h GLY 149 Ca 0.06 0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.84 3h0m h GLY 149 CO 0.22 -0.20 -0.35 -1.33 0.00 0.00 0.00 176.54 174.88 3h0m h GLY 150 N -0.39 0.00 1.78 4.60 0.00 -1.67 -1.23 103.07 106.16 3h0m h GLY 150 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 3h0m h GLY 150 CO -0.50 0.00 -0.89 1.76 0.00 0.00 0.00 176.54 176.91 3h0m h SER 151 N 0.00 0.26 0.34 0.19 0.02 -1.71 -1.59 113.55 111.06 3h0m h SER 151 Ca -0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3h0m h SER 151 Cb 0.64 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3h0m h SER 151 CO 0.05 1.02 -0.16 0.00 -1.14 0.00 0.00 176.83 176.60 3h0m h ALA 152 N 0.96 -0.45 -0.44 3.77 0.00 -1.33 -3.23 119.26 118.54 3h0m h ALA 152 Ca -0.05 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3h0m h ALA 152 Cb 1.52 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3h0m h ALA 152 CO 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.82 3h0m h ALA 153 N -0.56 0.35 0.00 0.00 0.00 -1.24 0.71 119.26 118.52 3h0m h ALA 153 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3h0m h ALA 153 Cb 0.52 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3h0m h ALA 153 CO 0.08 -0.42 -0.32 0.66 0.00 0.00 0.00 179.25 179.25 3h0m h SER 154 N 0.05 0.00 0.84 0.00 4.64 -1.43 -0.59 113.55 117.06 3h0m h SER 154 Ca 0.21 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.35 3h0m h SER 154 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3h0m h SER 154 CO -0.41 0.32 -0.87 0.58 -0.87 0.00 0.00 176.83 175.58 3h0m h VAL 155 N 0.00 1.61 0.01 0.95 2.07 -1.27 -1.20 116.25 118.42 3h0m h VAL 155 Ca -0.00 -2.94 -0.00 0.00 0.82 0.00 0.00 66.70 64.58 3h0m h VAL 155 Cb 0.56 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3h0m h VAL 155 CO 0.04 0.84 -0.00 0.00 0.02 0.00 0.00 177.57 178.47 3h0m h ALA 156 N 1.12 -0.01 0.00 1.67 0.00 0.15 -3.05 119.26 119.14 3h0m h ALA 156 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h0m h ALA 156 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3h0m h ALA 156 CO 0.11 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.33 3h0m n VAL 157 N -4.96 0.43 -2.45 0.00 0.24 -0.33 -4.41 118.33 106.84 3h0m n VAL 157 Ca -0.08 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 3h0m n VAL 157 Cb 0.16 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.85 -1.89 0.01 1.34 4.77 -0.55 -4.89 117.00 113.93 3h0m n LEU 158 Ca 0.06 -0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3h0m n LEU 158 Cb 0.34 -2.21 0.35 0.00 -2.33 0.00 0.00 43.42 39.57 3h0m n LEU 158 CO 0.26 -0.05 0.76 -1.54 -1.33 0.00 0.00 177.39 175.49 3h0m n SER 159 N -0.93 0.07 -3.74 -1.43 3.41 -0.61 -4.65 113.62 105.74 3h0m n SER 159 Ca -0.14 0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 58.85 3h0m n SER 159 Cb 0.62 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 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 -3.03 -0.92 0.10 7.33 0.00 -1.08 -4.70 121.76 119.45 3h0m s ALA 160 Ca 0.07 0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.89 3h0m s ALA 160 Cb 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 3h0m s ALA 160 CO 0.30 -0.22 1.35 -1.00 0.00 0.00 0.00 175.76 176.19 3h0m h PRO 161 N 4.70 0.00 -3.79 0.00 0.13 -1.83 -3.33 132.00 127.88 3h0m h PRO 161 Ca -0.28 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 3h0m h PRO 161 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 3h0m h PRO 161 CO 0.33 0.87 -0.47 0.54 -0.23 0.00 0.00 178.00 179.04 3h0m s VAL 162 N -2.86 0.14 0.01 1.56 0.11 -1.26 -4.32 120.40 113.78 3h0m s VAL 162 Ca 0.01 -1.14 -0.18 0.00 -2.93 0.00 0.00 61.98 57.73 3h0m s VAL 162 Cb 0.10 -1.08 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 3h0m s VAL 162 CO 0.80 -0.63 0.40 -0.55 -3.33 0.00 0.00 175.10 171.79 3h0m s SER 163 N -2.40 -0.29 -0.13 3.54 0.15 -0.50 -2.77 113.70 111.30 3h0m s SER 163 Ca -0.01 0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 3h0m s SER 163 Cb 0.01 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 3h0m s SER 163 CO -0.07 -0.58 -0.02 -0.76 1.20 0.00 0.00 173.24 173.02 3h0m s LEU 164 N -1.67 3.41 0.00 3.45 1.02 -0.76 -0.84 118.68 123.29 3h0m s LEU 164 Ca -0.09 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.06 3h0m s LEU 164 Cb -0.02 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 3h0m s LEU 164 CO 0.01 0.25 0.05 0.61 0.02 0.00 0.00 176.35 177.30 3h0m n GLY 165 N 2.99 3.81 3.22 -3.19 0.00 -0.54 -2.25 105.19 109.23 3h0m n GLY 165 Ca -0.18 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.75 1.88 -0.21 1.61 1.04 -1.26 -1.11 113.70 113.90 3h0m s SER 166 Ca 0.08 -0.76 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 3h0m s SER 166 Cb 0.00 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.12 3h0m s SER 166 CO 0.05 -0.14 -0.04 -0.62 0.98 0.00 0.00 173.24 173.48 3h0m s ASP 167 N -2.28 3.44 -0.21 7.02 -1.08 0.12 -3.46 116.67 120.22 3h0m s ASP 167 Ca 0.06 -0.99 0.08 0.00 -0.52 0.00 0.00 52.55 51.18 3h0m s ASP 167 Cb -0.06 -1.01 -0.19 0.00 -1.46 0.00 0.00 42.92 40.20 3h0m s ASP 167 CO 0.03 -0.24 -0.09 0.41 0.52 0.00 0.00 175.17 175.80 3h0m n THR 168 N 4.79 1.33 -2.47 1.71 -1.04 -1.26 -2.21 114.28 115.13 3h0m n THR 168 Ca -0.11 -0.64 -0.02 0.00 -2.04 0.00 0.00 64.05 61.24 3h0m n THR 168 Cb 0.45 -0.97 0.03 0.00 -1.82 0.00 0.00 70.33 68.02 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 2.13 1.27 0.00 3.41 0.00 -1.26 -4.68 105.19 106.06 3h0m n GLY 169 Ca -0.37 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.37 1.31 0.00 -0.02 0.00 -1.26 -3.71 105.19 101.13 3h0m n GLY 170 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3h0m n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0m n SER 171 N 0.00 0.00 -0.12 1.61 7.64 -1.26 -0.97 113.62 120.53 3h0m n SER 171 Ca 0.00 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 59.69 3h0m n SER 171 Cb 0.00 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.29 1.47 -0.14 0.44 5.41 -1.22 -2.44 119.36 121.58 3h0m n ILE 172 Ca 0.09 -0.21 -0.08 0.00 1.00 0.00 0.00 62.75 63.55 3h0m n ILE 172 Cb 0.15 -2.00 0.01 0.00 -0.71 0.00 0.00 39.64 37.08 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 -0.95 0.57 -0.18 0.38 3.08 -1.71 -0.53 114.38 115.03 3h0m h ARG 173 Ca -0.46 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.34 3h0m h ARG 173 Cb 1.39 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 31.32 3h0m h ARG 173 CO -0.28 0.38 -0.72 -0.56 -1.07 0.00 0.00 179.97 177.72 3h0m h GLN 174 N 0.59 0.80 -0.92 0.04 -0.00 -1.36 -0.20 115.11 114.07 3h0m h GLN 174 Ca 0.16 -0.62 0.10 0.00 -0.00 0.00 0.00 58.65 58.29 3h0m h GLN 174 Cb -0.07 0.12 -0.07 0.00 -0.00 0.00 0.00 27.48 27.46 3h0m h GLN 174 CO -0.03 1.23 0.59 -1.35 -0.00 0.00 0.00 178.83 179.27 3h0m h PRO 175 N 0.56 0.89 -0.80 0.06 0.11 -1.73 -1.26 132.00 129.82 3h0m h PRO 175 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3h0m h PRO 175 Cb 1.35 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3h0m h PRO 175 CO 0.15 0.59 0.37 0.00 -0.21 0.00 0.00 178.00 178.89 3h0m h ALA 176 N 1.55 1.14 0.70 -0.75 0.00 -0.62 -0.79 119.26 120.49 3h0m h ALA 176 Ca 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3h0m h ALA 176 Cb 0.42 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h0m h ALA 176 CO -0.19 0.64 -0.34 1.03 0.00 0.00 0.00 179.25 180.39 3h0m h SER 177 N 1.15 -0.79 -0.11 0.00 0.87 -0.45 -0.52 113.55 113.70 3h0m h SER 177 Ca 0.27 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.87 3h0m h SER 177 Cb 0.14 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3h0m h SER 177 CO -0.03 -0.50 0.08 -0.26 -0.53 0.00 0.00 176.83 175.59 3h0m h PHE 178 N -1.05 0.00 -0.28 2.24 -1.00 -1.15 -2.39 116.94 113.31 3h0m h PHE 178 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3h0m h PHE 178 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 3h0m h PHE 178 CO -0.01 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.69 3h0m n GLY 180 N 1.12 -0.14 3.37 0.00 0.00 -0.61 -4.73 105.19 104.20 3h0m n GLY 180 Ca 0.15 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3h0m n GLY 180 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h0m s VAL 181 N -3.23 1.17 0.11 1.61 -7.23 -0.30 -4.88 120.40 107.65 3h0m s VAL 181 Ca 0.38 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 3h0m s VAL 181 Cb -0.17 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 3h0m s VAL 181 CO 0.53 -0.27 1.05 -0.63 -0.31 0.00 0.00 175.10 175.47 3h0m s ILE 182 N -3.32 4.24 -0.03 -0.62 1.01 -0.16 -4.28 121.20 118.02 3h0m s ILE 182 Ca 0.30 1.80 -0.01 0.00 0.00 0.00 0.00 60.65 62.74 3h0m s ILE 182 Cb 0.06 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3h0m s ILE 182 CO 0.10 0.25 0.07 -0.83 0.00 0.00 0.00 174.94 174.53 3h0m s GLY 183 N 0.27 0.05 -0.06 6.18 0.00 -0.66 -1.40 107.32 111.71 3h0m s GLY 183 Ca 0.50 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.70 3h0m s GLY 183 CO 0.31 0.77 -0.22 -1.50 0.00 0.00 0.00 173.10 172.47 3h0m s ILE 184 N 1.07 2.35 -0.25 0.90 2.07 -0.34 -1.09 121.20 125.92 3h0m s ILE 184 Ca -0.09 -0.97 -0.06 0.00 -1.41 0.00 0.00 60.65 58.13 3h0m s ILE 184 Cb -0.12 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.58 3h0m s ILE 184 CO -0.04 0.57 0.03 -0.75 -1.91 0.00 0.00 174.94 172.84 3h0m s LYS 185 N -0.30 3.42 0.96 3.50 2.20 -0.58 -2.29 119.74 126.65 3h0m s LYS 185 Ca 0.01 -0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 54.84 3h0m s LYS 185 Cb -0.13 -3.22 0.21 0.00 -1.51 0.00 0.00 37.83 33.18 3h0m s LYS 185 CO 0.02 -0.25 1.32 -1.25 -0.36 0.00 0.00 175.35 174.84 3h0m s PRO 186 N 1.54 0.57 0.34 4.03 0.04 -1.26 -1.08 135.00 139.18 3h0m s PRO 186 Ca 0.05 -0.48 -0.28 0.00 0.04 0.00 0.00 61.00 60.33 3h0m s PRO 186 Cb -0.15 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 3h0m s PRO 186 CO 0.01 -2.44 1.31 2.41 0.04 0.00 0.00 177.00 178.32 3h0m n THR 187 N -3.77 1.98 -1.70 1.26 -1.04 -1.26 -4.37 114.28 105.38 3h0m n THR 187 Ca 0.16 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.25 3h0m n THR 187 Cb 0.59 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 3h0m n THR 187 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3h0m s TYR 188 N -1.08 1.85 0.00 -1.42 5.04 -0.90 -0.75 117.35 120.10 3h0m s TYR 188 Ca 0.55 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 3h0m s TYR 188 Cb -0.56 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 37.54 3h0m s TYR 188 CO 0.62 -5.11 0.00 0.41 -1.34 0.00 0.00 175.55 170.13 3h0m n GLY 189 N 4.34 1.58 0.14 8.97 0.00 -1.26 -4.92 105.19 114.03 3h0m n GLY 189 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3h0m n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0m h ARG 190 N 2.25 0.00 -4.81 1.61 2.43 -1.28 -1.04 114.38 113.55 3h0m h ARG 190 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 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 0.58 -0.82 0.08 -1.51 0.00 0.00 179.97 178.30 3h0m s VAL 191 N -3.32 1.21 0.50 0.20 1.01 -1.26 -0.66 120.40 118.08 3h0m s VAL 191 Ca 0.01 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3h0m s VAL 191 Cb 0.11 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 3h0m s VAL 191 CO 0.74 0.37 1.20 -0.24 0.00 0.00 0.00 175.10 177.16 3h0m n SER 192 N 3.53 2.03 -1.03 3.32 2.88 -1.26 -4.72 113.62 118.38 3h0m n SER 192 Ca -0.21 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.40 3h0m n SER 192 Cb 0.52 -1.48 0.25 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.51 3.18 -2.44 -1.46 1.74 -1.26 -4.74 116.66 111.17 3h0m n ARG 193 Ca 0.10 -2.58 -0.43 0.00 -0.77 0.00 0.00 57.85 54.17 3h0m n ARG 193 Cb 0.43 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.86 2.69 0.00 -1.55 5.04 -1.26 -2.58 117.35 117.82 3h0m s TYR 194 Ca 0.38 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 3h0m s TYR 194 Cb 0.26 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.59 3h0m s TYR 194 CO 0.16 -1.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.14 3h0m n GLY 195 N 4.42 0.75 3.55 8.97 0.00 -1.26 -1.11 105.19 120.52 3h0m n GLY 195 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 4.36 -0.07 0.99 2.96 -1.07 -1.25 118.68 124.61 3h0m s LEU 196 Ca 0.00 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 3h0m s LEU 196 Cb 0.00 -2.34 -0.08 0.00 0.50 0.00 0.00 46.19 44.28 3h0m s LEU 196 CO 0.00 -0.30 2.06 0.52 -1.32 0.00 0.00 176.35 177.31 3h0m n VAL 197 N 5.21 0.59 -2.30 1.68 0.31 0.16 -4.86 118.33 119.13 3h0m n VAL 197 Ca -0.09 -0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 63.57 3h0m n VAL 197 Cb 0.50 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 31.04 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 5.87 3.48 0.00 3.52 0.00 -1.26 -4.94 121.76 128.43 3h0m s ALA 198 Ca 0.94 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3h0m s ALA 198 Cb -0.43 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3h0m s ALA 198 CO 0.41 -0.47 0.00 0.34 0.00 0.00 0.00 175.76 176.03 3h0m n PHE 199 N 2.95 0.00 -3.91 0.00 7.35 -1.26 -4.77 117.46 117.81 3h0m n PHE 199 Ca 0.07 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.45 3h0m n PHE 199 Cb 0.44 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.12 3h0m n PHE 199 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h0m s ALA 200 N -3.64 2.26 0.46 3.13 0.00 -1.26 -2.63 121.76 120.07 3h0m s ALA 200 Ca 0.00 -1.99 0.15 0.00 0.00 0.00 0.00 51.96 50.12 3h0m s ALA 200 Cb 0.00 -1.73 1.09 0.00 0.00 0.00 0.00 23.12 22.48 3h0m s ALA 200 CO 0.00 -1.56 2.01 0.77 0.00 0.00 0.00 175.76 176.98 3h0m h SER 201 N 7.84 0.28 0.79 0.00 0.02 -1.93 0.12 113.55 120.68 3h0m h SER 201 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3h0m h SER 201 Cb 1.03 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3h0m h SER 201 CO 0.48 0.18 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.76 3h0m n SER 202 N -4.47 0.08 0.00 3.07 3.41 -1.26 -4.13 113.62 110.32 3h0m n SER 202 Ca 0.07 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3h0m n SER 202 Cb 0.34 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.40 0.00 -4.73 1.04 4.77 -0.45 -4.96 117.00 111.27 3h0m n LEU 203 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3h0m n LEU 203 Cb 0.31 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3h0m n LEU 203 CO 0.26 0.00 1.16 0.47 -1.33 0.00 0.00 177.39 177.96 3h0m n ASP 204 N -1.73 3.59 -3.77 -1.43 8.00 0.31 -4.46 116.55 117.05 3h0m n ASP 204 Ca 0.00 1.16 -0.13 0.00 0.71 0.00 0.00 54.79 56.54 3h0m n ASP 204 Cb 0.33 -1.56 -0.12 0.00 -0.02 0.00 0.00 41.12 39.75 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 -0.85 0.29 0.42 -1.24 -1.52 -0.94 -4.87 119.66 110.95 3h0m s GLN 205 Ca 0.62 0.41 -0.25 0.00 -1.95 0.00 0.00 55.36 54.19 3h0m s GLN 205 Cb -0.52 0.09 -0.08 0.00 -0.22 0.00 0.00 33.01 32.27 3h0m s GLN 205 CO 0.52 -0.07 1.24 0.42 -0.25 0.00 0.00 175.29 177.16 3h0m s ILE 206 N 0.40 2.83 0.12 1.08 1.01 -1.26 0.14 121.20 125.52 3h0m s ILE 206 Ca -0.02 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.34 3h0m s ILE 206 Cb -0.04 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 3h0m s ILE 206 CO -0.02 0.07 0.14 0.61 0.00 0.00 0.00 174.94 175.74 3h0m n GLY 207 N 0.64 3.19 3.22 6.18 0.00 -0.26 -4.51 105.19 113.64 3h0m n GLY 207 Ca 0.05 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.52 1.58 -0.07 1.61 1.01 -0.97 -1.47 120.40 119.58 3h0m s VAL 208 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3h0m s VAL 208 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3h0m s VAL 208 CO 0.08 0.38 -0.05 -0.36 0.00 0.00 0.00 175.10 175.16 3h0m s PHE 209 N -0.55 3.00 0.29 5.22 0.08 -0.02 -1.20 117.98 124.80 3h0m s PHE 209 Ca 0.08 0.07 -0.09 0.00 0.12 0.00 0.00 56.93 57.10 3h0m s PHE 209 Cb -0.08 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3h0m s PHE 209 CO -0.00 0.37 0.55 0.41 -0.10 0.00 0.00 175.22 176.45 3h0m n GLY 210 N 2.16 1.46 0.03 4.36 0.00 -0.49 -1.42 105.19 111.30 3h0m n GLY 210 Ca -0.18 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 3h0m n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0m n ARG 211 N -0.41 2.27 -4.90 1.61 1.74 -1.26 -0.99 116.66 114.72 3h0m n ARG 211 Ca -0.05 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.70 3h0m n ARG 211 Cb 0.45 -1.20 -0.14 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.26 2.00 0.46 5.56 0.52 -1.26 -4.49 118.95 119.49 3h0m s ARG 212 Ca -0.04 -1.00 0.13 0.00 -0.52 0.00 0.00 55.73 54.30 3h0m s ARG 212 Cb 0.03 -2.09 1.05 0.00 0.52 0.00 0.00 34.95 34.46 3h0m s ARG 212 CO 0.32 0.54 2.05 1.15 0.02 0.00 0.00 175.30 179.38 3h0m h THR 213 N 4.20 1.09 -0.26 0.02 2.02 -1.93 -1.46 112.91 116.58 3h0m h THR 213 Ca -0.46 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.21 3h0m h THR 213 Cb 1.14 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3h0m h THR 213 CO 0.46 0.11 -0.44 -0.33 0.37 0.00 0.00 175.52 175.69 3h0m h GLU 214 N 0.10 0.66 -0.15 6.66 5.08 -1.96 -0.02 114.58 124.96 3h0m h GLU 214 Ca 0.02 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3h0m h GLU 214 Cb 0.16 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3h0m h GLU 214 CO 0.01 0.97 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.38 3h0m h ASP 215 N 0.54 -0.51 -0.38 1.42 3.32 -1.70 -1.83 116.42 117.28 3h0m h ASP 215 Ca 0.04 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3h0m h ASP 215 Cb 0.97 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3h0m h ASP 215 CO 0.09 -0.21 0.02 0.58 -1.72 0.00 0.00 179.24 177.99 3h0m h VAL 216 N -0.20 1.26 -0.67 -1.35 2.07 -1.27 -2.30 116.25 113.79 3h0m h VAL 216 Ca 0.10 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3h0m h VAL 216 Cb 0.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3h0m h VAL 216 CO -0.26 0.32 0.44 0.00 0.02 0.00 0.00 177.57 178.09 3h0m h ALA 217 N 0.89 1.56 0.03 1.67 0.00 -0.87 -2.27 119.26 120.26 3h0m h ALA 217 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3h0m h ALA 217 Cb 0.44 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h0m h ALA 217 CO 0.02 0.39 -0.42 1.25 0.00 0.00 0.00 179.25 180.49 3h0m h LEU 218 N 0.86 0.32 -0.87 0.00 5.85 -1.11 -2.06 115.31 118.31 3h0m h LEU 218 Ca 0.25 -0.83 0.04 0.00 0.84 0.00 0.00 57.88 58.18 3h0m h LEU 218 Cb -0.04 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3h0m h LEU 218 CO -0.06 1.11 0.56 0.58 -0.34 0.00 0.00 178.44 180.29 3h0m h VAL 219 N -0.43 1.13 -0.42 1.05 2.07 -1.36 -1.83 116.25 116.46 3h0m h VAL 219 Ca -0.06 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3h0m h VAL 219 Cb 1.20 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3h0m h VAL 219 CO 0.08 0.20 0.13 0.25 0.02 0.00 0.00 177.57 178.25 3h0m h LEU 220 N 1.08 0.60 -0.73 2.57 5.85 -1.46 -2.17 115.31 121.04 3h0m h LEU 220 Ca 0.35 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3h0m h LEU 220 Cb 0.03 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3h0m h LEU 220 CO -0.13 0.64 0.44 -0.08 -0.34 0.00 0.00 178.44 178.98 3h0m h GLU 221 N 0.53 0.80 -0.19 1.25 4.81 -0.86 -1.53 114.58 119.39 3h0m h GLU 221 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3h0m h GLU 221 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3h0m h GLU 221 CO -0.00 0.53 0.08 0.28 -0.73 0.00 0.00 179.01 179.16 3h0m h VAL 222 N 0.82 1.15 0.00 0.32 2.07 -1.04 -3.16 116.25 116.41 3h0m h VAL 222 Ca 0.31 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3h0m h VAL 222 Cb 0.13 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3h0m h VAL 222 CO -0.16 0.14 -0.17 2.30 0.02 0.00 0.00 177.57 179.71 3h0m n ILE 223 N -4.85 0.41 -2.06 4.57 -5.35 -0.84 -4.84 119.36 106.39 3h0m n ILE 223 Ca -0.04 -0.22 -0.28 0.00 -0.27 0.00 0.00 62.75 61.95 3h0m n ILE 223 Cb 0.11 -0.42 0.07 0.00 -1.74 0.00 0.00 39.64 37.66 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 -4.12 4.82 0.00 7.28 0.01 -0.59 -4.53 113.70 116.57 3h0m s SER 224 Ca 0.10 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.05 3h0m s SER 224 Cb 0.14 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 65.05 3h0m s SER 224 CO 0.62 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 173.22 3h0m n GLY 225 N -3.07 2.66 3.61 3.44 0.00 0.17 -4.98 105.19 107.01 3h0m n GLY 225 Ca 0.08 -1.96 -0.47 0.00 0.00 0.00 0.00 46.02 43.66 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 0.40 1.59 -4.24 1.61 -0.00 -1.24 -4.41 117.44 111.15 3h0m n TRP 226 Ca 0.00 0.60 -0.26 0.00 -0.00 0.00 0.00 57.50 57.84 3h0m n TRP 226 Cb 0.00 -2.34 -0.17 0.00 -0.00 0.00 0.00 31.31 28.80 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 0.06 2.02 0.57 5.87 2.15 -1.26 -5.02 116.67 121.07 3h0m s ASP 227 Ca 0.70 -0.32 0.35 0.00 0.43 0.00 0.00 52.55 53.72 3h0m s ASP 227 Cb -0.77 -0.86 1.69 0.00 -0.30 0.00 0.00 42.92 42.68 3h0m s ASP 227 CO 0.52 -0.04 2.12 1.05 -0.17 0.00 0.00 175.17 178.65 3h0m h GLU 228 N 7.58 0.00 -0.02 4.34 4.11 -1.97 -1.74 114.58 126.89 3h0m h GLU 228 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3h0m h GLU 228 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3h0m h GLU 228 CO 0.45 0.04 0.00 1.63 0.07 0.00 0.00 179.01 181.20 3h0m n LYS 229 N -3.24 1.37 -3.84 1.06 5.02 -1.26 -4.71 118.16 112.57 3h0m n LYS 229 Ca -0.01 -0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 55.46 3h0m n LYS 229 Cb 0.22 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.94 2.85 0.45 4.39 2.15 -0.65 -4.80 116.67 119.12 3h0m s ASP 230 Ca 0.41 -0.71 0.22 0.00 0.43 0.00 0.00 52.55 52.90 3h0m s ASP 230 Cb 0.21 -0.80 1.07 0.00 -0.30 0.00 0.00 42.92 43.10 3h0m s ASP 230 CO 0.33 -0.23 1.92 0.28 -0.17 0.00 0.00 175.17 177.31 3h0m h SER 231 N 8.16 0.00 0.34 -0.34 0.02 -1.84 -2.83 113.55 117.06 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 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3h0m h SER 231 CO 0.37 0.23 -0.53 0.35 -1.14 0.00 0.00 176.83 176.11 3h0m n THR 232 N -3.69 0.00 -2.43 -2.27 -2.24 -1.26 -4.89 114.28 97.49 3h0m n THR 232 Ca -0.01 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3h0m n THR 232 Cb 0.35 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.88 7.18 0.19 3.42 1.04 -1.07 -4.45 113.70 117.13 3h0m s SER 233 Ca 0.13 2.22 -0.19 0.00 0.48 0.00 0.00 55.95 58.59 3h0m s SER 233 Cb 0.18 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.61 3h0m s SER 233 CO 0.69 -0.27 0.68 0.00 0.98 0.00 0.00 173.24 175.32 3h0m s ALA 234 N -0.45 3.46 -1.33 5.32 0.00 -0.39 -4.77 121.76 123.59 3h0m s ALA 234 Ca 0.49 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 3h0m s ALA 234 Cb -0.32 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.17 3h0m s ALA 234 CO 0.38 0.36 2.07 1.63 0.00 0.00 0.00 175.76 180.19 3h0m n LYS 235 N 0.91 3.67 -4.72 0.00 5.02 -1.26 -3.66 118.16 118.12 3h0m n LYS 235 Ca -0.04 -3.31 -0.25 0.00 -2.02 0.00 0.00 58.31 52.69 3h0m n LYS 235 Cb 0.51 -2.93 -0.16 0.00 -0.02 0.00 0.00 35.03 32.43 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 0.65 1.28 0.51 -0.18 1.01 -1.26 -5.07 120.40 117.34 3h0m s VAL 236 Ca 0.44 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 3h0m s VAL 236 Cb 0.12 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3h0m s VAL 236 CO -0.03 0.38 1.35 -2.16 0.00 0.00 0.00 175.10 174.64 3h0m s PRO 237 N 0.21 3.34 -0.20 2.72 0.04 -1.26 -4.54 135.00 135.31 3h0m s PRO 237 Ca -0.06 2.23 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 3h0m s PRO 237 Cb -0.12 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3h0m s PRO 237 CO 0.02 -1.03 0.86 0.08 0.04 0.00 0.00 177.00 176.98 3h0m s VAL 238 N -1.30 4.84 0.55 -0.36 1.01 -1.26 -5.04 120.40 118.84 3h0m s VAL 238 Ca 0.68 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 64.12 3h0m s VAL 238 Cb -0.40 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 3h0m s VAL 238 CO 0.48 -0.04 1.29 -2.84 0.00 0.00 0.00 175.10 174.00 3h0m s PRO 239 N 2.52 3.15 -1.11 2.72 0.02 -1.26 -4.89 135.00 136.16 3h0m s PRO 239 Ca 0.38 2.07 -0.20 0.00 0.02 0.00 0.00 61.00 63.27 3h0m s PRO 239 Cb -0.16 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.11 3h0m s PRO 239 CO 0.10 -1.13 1.94 0.39 -0.33 0.00 0.00 177.00 177.97 3h0m n GLU 240 N -1.12 2.05 0.02 5.54 4.71 -1.26 -4.78 120.64 125.80 3h0m n GLU 240 Ca 0.11 -2.42 -0.01 0.00 -0.01 0.00 0.00 57.16 54.83 3h0m n GLU 240 Cb 0.47 -3.34 0.28 0.00 -1.01 0.00 0.00 31.44 27.83 3h0m n GLU 240 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 3h0m h TRP 241 N 8.13 0.50 -0.37 -0.32 6.55 -1.90 -2.30 115.95 126.23 3h0m h TRP 241 Ca 0.38 -0.07 0.01 0.00 0.95 0.00 0.00 58.89 60.17 3h0m h TRP 241 Cb 0.79 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 3h0m h TRP 241 CO 1.30 0.56 0.25 0.66 -1.05 0.00 0.00 178.44 180.15 3h0m h SER 242 N 0.44 0.41 0.05 -3.49 4.64 -1.86 -0.23 113.55 113.51 3h0m h SER 242 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3h0m h SER 242 Cb 0.44 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3h0m h SER 242 CO 0.02 0.29 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.54 3h0m n GLU 243 N -4.48 1.49 -0.07 4.77 -0.58 -0.90 -4.40 120.64 116.47 3h0m n GLU 243 Ca 0.03 -0.98 -0.07 0.00 -0.42 0.00 0.00 57.16 55.73 3h0m n GLU 243 Cb 0.08 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.37 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 0.10 1.81 -0.15 3.49 4.07 -0.20 -4.56 120.64 125.20 3h0m n GLU 244 Ca 0.16 -0.01 0.05 0.00 -0.06 0.00 0.00 57.16 57.30 3h0m n GLU 244 Cb 0.40 -1.34 0.35 0.00 -0.06 0.00 0.00 31.44 30.78 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 1.07 0.00 6.31 -1.51 -1.49 -2.74 116.25 117.89 3h0m h VAL 245 Ca -0.36 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 3h0m h VAL 245 Cb 1.82 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 3h0m h VAL 245 CO 0.02 0.14 -0.21 0.11 -1.23 0.00 0.00 177.57 176.39 3h0m h LYS 246 N 0.77 0.00 -7.34 5.19 1.57 -1.83 -3.39 116.57 111.53 3h0m h LYS 246 Ca 0.27 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.56 3h0m h LYS 246 Cb 0.11 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.57 3h0m h LYS 246 CO -0.08 0.21 0.27 0.15 -0.57 0.00 0.00 179.45 179.44 3h0m s LYS 247 N -3.49 1.51 -0.08 3.15 1.02 -1.04 -5.06 119.74 115.75 3h0m s LYS 247 Ca 0.02 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3h0m s LYS 247 Cb 0.09 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 3h0m s LYS 247 CO 0.65 -2.08 -0.05 -2.00 -0.92 0.00 0.00 175.35 170.94 3h0m s GLU 248 N -4.95 1.13 -0.21 1.68 2.12 -1.26 -4.91 118.70 112.30 3h0m s GLU 248 Ca 0.63 -0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 3h0m s GLU 248 Cb -0.17 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 3h0m s GLU 248 CO 0.57 -0.18 0.09 0.08 -0.54 0.00 0.00 175.26 175.27 3h0m s VAL 249 N 1.40 4.79 0.33 3.70 1.01 -1.26 -5.09 120.40 125.29 3h0m s VAL 249 Ca -0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3h0m s VAL 249 Cb -0.13 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3h0m s VAL 249 CO -0.03 0.40 0.91 -0.54 0.00 0.00 0.00 175.10 175.84 3h0m s LYS 250 N 0.84 4.45 -0.76 2.72 1.02 -1.26 -4.26 119.74 122.50 3h0m s LYS 250 Ca 0.05 1.21 -0.02 0.00 0.02 0.00 0.00 55.97 57.22 3h0m s LYS 250 Cb -0.13 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 3h0m s LYS 250 CO 0.02 0.23 0.32 0.41 -0.92 0.00 0.00 175.35 175.41 3h0m n GLY 251 N 0.31 0.10 3.81 -3.33 0.00 -1.26 -5.02 105.19 99.80 3h0m n GLY 251 Ca 0.02 -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 -3.57 3.01 -0.01 0.99 1.43 -1.26 -4.88 118.68 114.38 3h0m s LEU 252 Ca 0.16 1.59 0.05 0.00 -1.03 0.00 0.00 54.13 54.90 3h0m s LEU 252 Cb -0.07 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 3h0m s LEU 252 CO 0.20 -1.64 -0.17 -0.54 0.23 0.00 0.00 176.35 174.43 3h0m s LYS 253 N -5.04 1.34 -0.10 1.70 1.02 -1.26 -2.40 119.74 114.99 3h0m s LYS 253 Ca 0.59 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.00 3h0m s LYS 253 Cb -0.15 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 3h0m s LYS 253 CO 0.55 0.36 -0.22 0.42 -0.92 0.00 0.00 175.35 175.53 3h0m s ILE 254 N -0.42 1.95 -0.14 2.17 1.01 -0.28 -1.59 121.20 123.91 3h0m s ILE 254 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3h0m s ILE 254 Cb -0.07 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3h0m s ILE 254 CO -0.01 0.54 0.21 -0.83 0.00 0.00 0.00 174.94 174.85 3h0m s GLY 255 N 0.46 2.18 -0.35 6.18 0.00 -0.08 -0.76 107.32 114.96 3h0m s GLY 255 Ca -0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 3h0m s GLY 255 CO 0.07 0.03 0.10 1.08 0.00 0.00 0.00 173.10 174.37 3h0m s LEU 256 N -0.29 4.48 0.05 0.66 1.43 0.43 -1.72 118.68 123.73 3h0m s LEU 256 Ca 0.15 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 3h0m s LEU 256 Cb -0.13 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3h0m s LEU 256 CO 0.04 -0.38 1.96 -2.65 0.23 0.00 0.00 176.35 175.55 3h0m n PRO 257 N 4.66 2.88 -0.15 1.29 -0.02 -1.26 -1.86 135.00 140.55 3h0m n PRO 257 Ca -0.09 1.06 0.16 0.00 -2.02 0.00 0.00 63.50 62.61 3h0m n PRO 257 Cb 0.43 -3.01 0.53 0.00 -0.02 0.00 0.00 33.50 31.43 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 10.39 0.34 0.00 -0.52 1.57 -1.08 -0.83 116.57 126.46 3h0m h LYS 258 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3h0m h LYS 258 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3h0m h LYS 258 CO 0.94 0.23 0.00 0.93 -0.57 0.00 0.00 179.45 180.98 3h0m h GLU 259 N 0.36 0.00 0.00 3.15 3.07 -1.89 -2.72 114.58 116.55 3h0m h GLU 259 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3h0m h GLU 259 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3h0m h GLU 259 CO -0.10 0.00 0.00 0.74 -1.40 0.00 0.00 179.01 178.25 3h0m h PHE 260 N 0.00 0.00 0.00 4.33 0.04 -1.52 -3.07 116.94 116.72 3h0m h PHE 260 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3h0m h PHE 260 Cb 0.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 3h0m h PHE 260 CO 0.00 0.00 -0.16 0.74 -0.60 0.00 0.00 178.31 178.29 3h0m h PHE 261 N 0.00 0.00 0.00 -0.55 0.04 -1.57 -1.67 116.94 113.18 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 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 3h0m h PHE 261 CO 0.00 0.16 0.00 0.39 -0.60 0.00 0.00 178.31 178.26 3h0m n GLU 262 N -3.54 0.61 -2.95 1.51 -0.58 -1.16 -4.82 120.64 109.71 3h0m n GLU 262 Ca -0.01 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.33 3h0m n GLU 262 Cb 0.31 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 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 -2.38 3.62 -0.23 -0.32 1.51 -0.63 -4.99 117.35 113.93 3h0m s TYR 263 Ca 0.34 1.40 -0.28 0.00 -1.01 0.00 0.00 57.07 57.52 3h0m s TYR 263 Cb 0.21 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 3h0m s TYR 263 CO 0.42 0.09 2.05 -1.21 -1.11 0.00 0.00 175.55 175.79 3h0m s GLU 264 N 0.74 3.31 0.03 -0.62 2.02 -1.26 -4.99 118.70 117.93 3h0m s GLU 264 Ca 0.42 1.90 0.04 0.00 0.02 0.00 0.00 54.97 57.34 3h0m s GLU 264 Cb -0.19 -4.29 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 3h0m s GLU 264 CO 0.21 -1.89 -0.07 -0.51 0.02 0.00 0.00 175.26 173.02 3h0m s LEU 265 N 7.42 3.16 0.25 1.80 1.43 -1.26 -4.83 118.68 126.64 3h0m s LEU 265 Ca 0.92 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3h0m s LEU 265 Cb -0.31 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.97 3h0m s LEU 265 CO 0.35 0.26 1.45 -1.10 0.23 0.00 0.00 176.35 177.53 3h0m s GLN 266 N -1.60 4.26 0.38 1.70 -0.21 0.03 -4.87 119.66 119.35 3h0m s GLN 266 Ca 0.18 2.31 0.11 0.00 0.02 0.00 0.00 55.36 57.98 3h0m s GLN 266 Cb -0.11 -3.11 0.90 0.00 1.00 0.00 0.00 33.01 31.69 3h0m s GLN 266 CO 0.09 -0.43 1.89 -1.35 -2.12 0.00 0.00 175.29 173.37 3h0m h PRO 267 N 5.10 0.58 -0.84 2.91 0.11 -1.99 0.12 132.00 137.98 3h0m h PRO 267 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h0m h PRO 267 Cb 1.22 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3h0m h PRO 267 CO 0.78 0.38 0.47 1.96 -0.21 0.00 0.00 178.00 181.39 3h0m h GLN 268 N 0.60 1.17 -0.08 1.05 7.50 -1.97 -0.31 115.11 123.06 3h0m h GLN 268 Ca 0.42 -0.13 -0.03 0.00 0.50 0.00 0.00 58.65 59.41 3h0m h GLN 268 Cb 0.77 -0.23 -0.00 0.00 0.05 0.00 0.00 27.48 28.06 3h0m h GLN 268 CO -0.17 0.85 -0.07 0.28 -1.50 0.00 0.00 178.83 178.22 3h0m h VAL 269 N 1.17 1.35 -0.33 -0.54 2.07 -1.17 -1.31 116.25 117.49 3h0m h VAL 269 Ca 0.30 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3h0m h VAL 269 Cb 0.01 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3h0m h VAL 269 CO -0.05 0.33 -0.02 0.50 0.02 0.00 0.00 177.57 178.35 3h0m h LYS 270 N -0.21 0.07 -0.14 1.57 3.64 -1.06 0.15 116.57 120.58 3h0m h LYS 270 Ca 0.02 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3h0m h LYS 270 Cb 0.56 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3h0m h LYS 270 CO 0.02 0.04 -0.10 1.49 -2.27 0.00 0.00 179.45 178.63 3h0m h GLU 271 N 0.07 -0.11 -0.61 1.90 4.81 -1.05 0.42 114.58 120.01 3h0m h GLU 271 Ca 0.16 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3h0m h GLU 271 Cb 0.22 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 3h0m h GLU 271 CO -0.28 -0.07 0.25 0.00 -0.73 0.00 0.00 179.01 178.18 3h0m h ALA 272 N 0.99 0.79 -0.13 2.92 0.00 -0.82 -2.08 119.26 120.93 3h0m h ALA 272 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3h0m h ALA 272 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h0m h ALA 272 CO -0.20 -0.15 -0.04 0.35 0.00 0.00 0.00 179.25 179.21 3h0m h PHE 273 N 0.46 0.28 -1.00 0.00 3.57 -0.26 -1.88 116.94 118.11 3h0m h PHE 273 Ca 0.30 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.80 3h0m h PHE 273 Cb 0.33 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 3h0m h PHE 273 CO -0.15 0.55 0.65 0.93 -2.23 0.00 0.00 178.31 178.07 3h0m h GLU 274 N -0.07 1.15 -0.56 1.11 5.08 -0.83 -1.02 114.58 119.44 3h0m h GLU 274 Ca 0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3h0m h GLU 274 Cb 0.46 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3h0m h GLU 274 CO 0.01 0.76 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.77 3h0m h ASN 275 N 1.19 1.01 -0.39 1.42 -0.73 -1.32 -0.46 115.58 116.30 3h0m h ASN 275 Ca 0.43 -0.30 0.04 0.00 1.87 0.00 0.00 56.30 58.34 3h0m h ASN 275 Cb 0.15 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 3h0m h ASN 275 CO -0.17 1.08 0.15 0.15 -0.37 0.00 0.00 177.43 178.28 3h0m h PHE 276 N 0.92 0.28 -0.19 0.67 3.57 -0.46 -0.44 116.94 121.29 3h0m h PHE 276 Ca 0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3h0m h PHE 276 Cb 0.60 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3h0m h PHE 276 CO 0.04 0.12 -0.07 0.82 -2.23 0.00 0.00 178.31 176.99 3h0m h ILE 277 N 0.32 1.30 -0.98 1.41 1.08 -1.04 -1.21 117.51 118.38 3h0m h ILE 277 Ca 0.17 -1.09 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 3h0m h ILE 277 Cb 0.14 1.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 3h0m h ILE 277 CO -0.16 0.33 0.64 0.11 -0.69 0.00 0.00 178.15 178.37 3h0m h LYS 278 N 0.08 1.18 -0.30 2.37 1.57 -0.97 0.36 116.57 120.85 3h0m h LYS 278 Ca 0.04 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3h0m h LYS 278 Cb 0.54 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3h0m h LYS 278 CO 0.02 0.78 -0.29 1.49 -0.57 0.00 0.00 179.45 180.88 3h0m h GLU 279 N 1.21 0.62 -0.21 3.15 4.57 -0.95 -0.73 114.58 122.25 3h0m h GLU 279 Ca 0.40 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 3h0m h GLU 279 Cb 0.06 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3h0m h GLU 279 CO -0.14 0.85 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.34 3h0m h LEU 280 N 0.54 0.47 -0.51 1.64 3.38 -0.64 -2.88 115.31 117.30 3h0m h LEU 280 Ca 0.07 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.71 3h0m h LEU 280 Cb 0.77 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 3h0m h LEU 280 CO 0.06 0.79 -0.17 -0.08 0.09 0.00 0.00 178.44 179.13 3h0m h GLU 281 N 0.15 -0.05 -0.76 1.13 4.81 -0.01 -1.49 114.58 118.35 3h0m h GLU 281 Ca 0.04 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 3h0m h GLU 281 Cb 0.63 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 3h0m h GLU 281 CO 0.03 -0.04 0.51 0.87 -0.73 0.00 0.00 179.01 179.66 3h0m h LYS 282 N -0.06 0.38 -0.00 1.92 1.57 -1.05 0.43 116.57 119.76 3h0m h LYS 282 Ca 0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3h0m h LYS 282 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3h0m h LYS 282 CO -0.55 0.25 -0.02 0.39 -0.57 0.00 0.00 179.45 178.96 3h0m n GLU 283 N -4.47 0.43 0.00 3.15 -0.58 -0.59 -4.91 120.64 113.67 3h0m n GLU 283 Ca 0.15 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3h0m n GLU 283 Cb 0.55 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.30 1.10 3.74 0.62 0.00 0.14 -5.09 105.19 107.00 3h0m n GLY 284 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 3.50 -0.00 1.61 0.40 -1.10 -4.65 117.98 115.74 3h0m s PHE 285 Ca 0.00 1.49 -0.26 0.00 -0.60 0.00 0.00 56.93 57.56 3h0m s PHE 285 Cb 0.00 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 3h0m s PHE 285 CO 0.00 -0.94 0.82 -2.00 0.70 0.00 0.00 175.22 173.80 3h0m s GLU 286 N -0.16 4.51 -0.20 0.44 2.12 -1.01 -4.31 118.70 120.09 3h0m s GLU 286 Ca 0.52 1.13 -0.04 0.00 0.36 0.00 0.00 54.97 56.95 3h0m s GLU 286 Cb -0.31 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 3h0m s GLU 286 CO 0.35 0.10 -0.04 0.42 -0.54 0.00 0.00 175.26 175.55 3h0m s ILE 287 N 0.56 3.51 0.01 -3.70 -1.09 -1.26 -1.13 121.20 118.10 3h0m s ILE 287 Ca 0.43 -0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.42 3h0m s ILE 287 Cb -0.20 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 3h0m s ILE 287 CO 0.23 0.44 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.73 3h0m s LYS 288 N 1.12 0.89 0.13 2.79 1.02 0.06 -4.98 119.74 120.77 3h0m s LYS 288 Ca 0.02 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 3h0m s LYS 288 Cb -0.15 -0.86 -0.07 0.00 -0.52 0.00 0.00 37.83 36.24 3h0m s LYS 288 CO -0.00 0.23 1.10 -1.21 -0.92 0.00 0.00 175.35 174.55 3h0m s GLU 289 N -0.63 4.56 0.35 1.68 2.02 -1.26 -0.42 118.70 124.99 3h0m s GLU 289 Ca 0.03 1.69 0.09 0.00 0.02 0.00 0.00 54.97 56.80 3h0m s GLU 289 Cb -0.06 -3.31 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 3h0m s GLU 289 CO 0.00 -0.00 -0.04 0.14 0.02 0.00 0.00 175.26 175.38 3h0m s VAL 290 N 0.17 2.37 -0.08 2.63 -7.23 -0.78 -4.80 120.40 112.68 3h0m s VAL 290 Ca 0.52 -2.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3h0m s VAL 290 Cb -0.28 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 3h0m s VAL 290 CO 0.33 -0.18 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.45 3h0m s SER 291 N -3.66 4.83 -0.45 4.85 0.01 -1.26 -0.37 113.70 117.65 3h0m s SER 291 Ca 0.34 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.65 3h0m s SER 291 Cb 0.02 -1.30 0.16 0.00 0.21 0.00 0.00 66.02 65.11 3h0m s SER 291 CO 0.18 0.35 0.34 -0.76 0.41 0.00 0.00 173.24 173.76 3h0m s LEU 292 N -0.74 1.91 0.26 2.44 1.43 -1.26 -4.68 118.68 118.04 3h0m s LEU 292 Ca 0.11 -3.05 0.18 0.00 -1.03 0.00 0.00 54.13 50.35 3h0m s LEU 292 Cb -0.11 -0.63 0.97 0.00 0.03 0.00 0.00 46.19 46.44 3h0m s LEU 292 CO 0.02 -0.18 1.56 -0.81 0.23 0.00 0.00 176.35 177.17 3h0m n PRO 293 N 2.91 0.12 -0.00 1.29 -0.04 -1.26 -2.38 135.00 135.63 3h0m n PRO 293 Ca 0.25 0.59 0.07 0.00 -0.04 0.00 0.00 63.50 64.36 3h0m n PRO 293 Cb 0.44 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 3h0m n PRO 293 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3h0m n HIS 294 N -2.13 0.00 -0.26 0.54 8.25 -1.26 -4.69 115.22 115.67 3h0m n HIS 294 Ca -0.01 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.69 3h0m n HIS 294 Cb 0.05 -0.11 0.58 0.00 1.12 0.00 0.00 29.99 31.64 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 0.57 0.00 1.59 -1.51 -1.84 0.24 116.25 115.30 3h0m h VAL 295 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3h0m h VAL 295 Cb 0.42 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 3h0m h VAL 295 CO 0.00 0.05 0.00 0.07 -1.23 0.00 0.00 177.57 176.46 3h0m h LYS 296 N 0.27 0.00 -0.00 5.19 2.10 -1.84 0.25 116.57 122.55 3h0m h LYS 296 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3h0m h LYS 296 Cb 1.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 3h0m h LYS 296 CO -0.16 0.00 -0.13 0.66 -2.00 0.00 0.00 179.45 177.82 3h0m n TYR 297 N -2.83 0.00 -0.22 0.07 4.01 0.83 -4.26 117.16 114.77 3h0m n TYR 297 Ca -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.74 3h0m n TYR 297 Cb 0.06 -0.20 0.13 0.00 -0.31 0.00 0.00 39.34 39.03 3h0m n TYR 297 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h0m h SER 298 N 0.54 0.03 -0.13 7.72 0.02 -0.62 -1.87 113.55 119.24 3h0m h SER 298 Ca 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3h0m h SER 298 Cb 0.38 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3h0m h SER 298 CO 0.00 0.01 -0.04 0.40 -1.14 0.00 0.00 176.83 176.06 3h0m h ILE 299 N 0.28 1.30 0.00 3.27 1.08 -1.79 0.27 117.51 121.92 3h0m h ILE 299 Ca 0.35 -1.02 -0.13 0.00 -0.39 0.00 0.00 64.86 63.67 3h0m h ILE 299 Cb 0.53 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 3h0m h ILE 299 CO -0.43 0.30 -0.61 1.55 -0.69 0.00 0.00 178.15 178.27 3h0m h PRO 300 N -0.06 0.00 -0.03 2.37 0.13 -1.84 -0.83 132.00 131.74 3h0m h PRO 300 Ca 0.03 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3h0m h PRO 300 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3h0m h PRO 300 CO 0.02 0.61 -0.03 1.15 -0.23 0.00 0.00 178.00 179.51 3h0m h THR 301 N 0.00 0.91 -0.48 1.56 2.02 -0.98 -3.10 112.91 112.84 3h0m h THR 301 Ca -0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 3h0m h THR 301 Cb 1.14 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3h0m h THR 301 CO 0.08 0.00 -0.14 0.22 0.37 0.00 0.00 175.52 176.05 3h0m h TYR 302 N -0.04 1.02 -0.21 3.16 3.20 -0.07 -1.77 116.97 122.26 3h0m h TYR 302 Ca 0.02 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.68 3h0m h TYR 302 Cb 0.08 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3h0m h TYR 302 CO -0.12 0.99 0.00 0.66 -1.64 0.00 0.00 178.16 178.05 3h0m n TYR 303 N -4.14 0.55 -0.07 -3.82 4.01 -0.35 -1.29 117.16 112.05 3h0m n TYR 303 Ca 0.01 -0.21 -0.15 0.00 -0.16 0.00 0.00 57.90 57.40 3h0m n TYR 303 Cb 0.41 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.20 0.89 0.34 -0.72 5.41 -0.95 -4.64 119.36 119.89 3h0m n ILE 304 Ca 0.09 -0.14 -0.18 0.00 1.00 0.00 0.00 62.75 63.52 3h0m n ILE 304 Cb 0.43 -1.74 -0.09 0.00 -0.71 0.00 0.00 39.64 37.53 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 -0.53 0.28 0.24 1.39 2.04 -1.20 -2.49 117.51 117.23 3h0m h ILE 305 Ca -0.33 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3h0m h ILE 305 Cb 1.22 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3h0m h ILE 305 CO -0.20 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.49 3h0m h ALA 306 N -0.56 -0.89 -0.99 1.87 0.00 -1.46 -1.48 119.26 115.75 3h0m h ALA 306 Ca -0.07 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.92 3h0m h ALA 306 Cb 0.72 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 3h0m h ALA 306 CO 0.09 -1.06 0.61 -1.35 0.00 0.00 0.00 179.25 177.54 3h0m h PRO 307 N -0.77 0.66 0.85 0.00 0.11 -1.76 -0.18 132.00 130.91 3h0m h PRO 307 Ca -0.01 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3h0m h PRO 307 Cb 0.74 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.71 3h0m h PRO 307 CO -0.19 0.44 -0.41 0.77 -0.21 0.00 0.00 178.00 178.40 3h0m h SER 308 N 0.68 -0.97 -0.61 -2.05 0.02 -0.89 -0.73 113.55 109.00 3h0m h SER 308 Ca 0.55 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.62 3h0m h SER 308 Cb 0.97 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 3h0m h SER 308 CO -0.33 -0.65 0.41 -0.33 -1.14 0.00 0.00 176.83 174.79 3h0m h GLU 309 N -1.24 0.49 -0.67 3.45 5.08 -1.14 -1.11 114.58 119.45 3h0m h GLU 309 Ca -0.12 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3h0m h GLU 309 Cb 0.88 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3h0m h GLU 309 CO 0.19 0.33 0.15 0.00 -1.00 0.00 0.00 179.01 178.68 3h0m h ALA 310 N 1.68 1.00 -0.04 3.43 0.00 -0.78 0.88 119.26 125.43 3h0m h ALA 310 Ca 0.28 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h0m h ALA 310 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h0m h ALA 310 CO -0.08 0.65 -0.43 0.66 0.00 0.00 0.00 179.25 180.04 3h0m h SER 311 N 1.02 0.09 0.03 0.00 4.64 0.16 -1.44 113.55 118.05 3h0m h SER 311 Ca 0.21 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3h0m h SER 311 Cb 0.37 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3h0m h SER 311 CO 0.00 0.51 -0.01 -1.28 -0.87 0.00 0.00 176.83 175.18 3h0m h SER 312 N 0.07 -0.03 0.61 4.97 0.87 -1.08 -3.17 113.55 115.79 3h0m h SER 312 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 3h0m h SER 312 Cb 0.80 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3h0m h SER 312 CO 0.06 0.64 0.00 0.78 -0.53 0.00 0.00 176.83 177.78 3h0m h ASN 313 N -0.73 0.00 -0.32 6.23 2.35 -0.72 -2.33 115.58 120.06 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 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3h0m h ASN 313 CO 0.01 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 3h0m n LEU 314 N -2.53 3.36 0.22 1.61 4.32 -0.55 -4.36 117.00 119.06 3h0m n LEU 314 Ca 0.01 -1.39 0.15 0.00 -0.02 0.00 0.00 56.01 54.76 3h0m n LEU 314 Cb 0.20 -0.20 0.61 0.00 -1.62 0.00 0.00 43.42 42.40 3h0m n LEU 314 CO 0.20 0.69 0.94 0.00 -1.22 0.00 0.00 177.39 178.00 3h0m h ALA 315 N 4.56 1.00 0.00 -1.18 0.00 -1.39 -3.04 119.26 119.20 3h0m h ALA 315 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h0m h ALA 315 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3h0m h ALA 315 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.14 3h0m n ARG 316 N -2.73 0.23 -2.89 0.00 1.85 -1.26 -4.58 116.66 107.27 3h0m n ARG 316 Ca 0.01 0.24 -0.43 0.00 -1.00 0.00 0.00 57.85 56.67 3h0m n ARG 316 Cb 0.27 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 29.85 3h0m n ARG 316 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3h0m s TYR 317 N -3.13 2.72 0.00 2.89 2.02 -1.15 -4.69 117.35 116.00 3h0m s TYR 317 Ca 0.10 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 3h0m s TYR 317 Cb 0.12 -4.26 0.00 0.00 -0.40 0.00 0.00 41.96 37.42 3h0m s TYR 317 CO 0.55 -1.61 0.02 -0.40 -1.57 0.00 0.00 175.55 172.54 3h0m n ASP 318 N 7.53 0.00 0.00 2.29 5.68 -1.26 -4.79 116.55 125.99 3h0m n ASP 318 Ca -0.04 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 3h0m n ASP 318 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3h0m n ASP 318 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h0m n GLY 319 N 0.00 0.53 0.09 6.12 0.00 -1.25 -4.59 105.19 106.09 3h0m n GLY 319 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.91 1.48 0.21 1.61 0.31 -1.26 -4.75 118.33 113.01 3h0m n VAL 320 Ca 0.00 0.08 0.10 0.00 -0.01 0.00 0.00 64.34 64.50 3h0m n VAL 320 Cb 0.00 -2.26 -0.14 0.00 -0.91 0.00 0.00 33.84 30.53 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 -4.49 0.63 -3.73 5.55 1.74 -1.26 -5.04 116.66 110.06 3h0m n ARG 321 Ca -0.19 -0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 56.73 3h0m n ARG 321 Cb 0.49 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 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 -3.22 -0.08 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.20 3h0m s TYR 322 Ca -0.04 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 3h0m s TYR 322 Cb 0.13 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 3h0m s TYR 322 CO 0.80 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 173.60 3h0m n GLY 323 N -0.51 -0.05 3.77 5.49 0.00 -1.26 -4.27 105.19 108.35 3h0m n GLY 323 Ca -0.06 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 2.92 -0.03 1.61 5.04 -0.42 -4.90 117.35 121.56 3h0m s TYR 324 Ca 0.00 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3h0m s TYR 324 Cb 0.00 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.76 3h0m s TYR 324 CO 0.00 -1.80 0.01 0.50 -1.34 0.00 0.00 175.55 172.91 3h0m s ARG 325 N -2.22 0.29 0.76 4.97 3.52 -1.26 -3.97 118.95 121.03 3h0m s ARG 325 Ca 0.56 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 56.11 3h0m s ARG 325 Cb -0.36 -0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 3h0m s ARG 325 CO 0.46 -0.17 0.63 0.00 -0.81 0.00 0.00 175.30 175.41 3h0m n ALA 326 N 4.32 -1.33 0.07 6.12 0.00 -1.26 -4.94 120.51 123.50 3h0m n ALA 326 Ca -0.23 -0.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.75 3h0m n ALA 326 Cb 0.50 -1.92 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.53 0.28 -5.08 0.00 1.57 -1.98 -3.46 116.57 107.37 3h0m h LYS 327 Ca -0.46 -0.47 -0.66 0.00 -1.87 0.00 0.00 60.65 57.19 3h0m h LYS 327 Cb 1.33 0.18 -0.29 0.00 0.08 0.00 0.00 32.23 33.53 3h0m h LYS 327 CO 0.42 1.15 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.50 3h0m s GLU 328 N -2.62 3.32 -0.25 3.15 2.02 -1.26 -5.10 118.70 117.97 3h0m s GLU 328 Ca -0.09 -0.67 -0.26 0.00 0.02 0.00 0.00 54.97 53.97 3h0m s GLU 328 Cb 0.07 -2.86 0.09 0.00 0.10 0.00 0.00 34.13 31.53 3h0m s GLU 328 CO 0.86 -0.11 0.83 1.52 0.02 0.00 0.00 175.26 178.38 3h0m s TYR 329 N 1.20 -0.66 -0.15 1.61 1.13 -1.26 -4.86 117.35 114.36 3h0m s TYR 329 Ca 0.02 1.55 0.22 0.00 -1.41 0.00 0.00 57.07 57.45 3h0m s TYR 329 Cb -0.14 0.32 -0.15 0.00 -1.10 0.00 0.00 41.96 40.88 3h0m s TYR 329 CO -0.03 -0.35 0.79 1.63 -2.51 0.00 0.00 175.55 175.07 3h0m n LYS 330 N 2.28 0.62 -3.93 -3.49 5.02 -1.26 -4.93 118.16 112.47 3h0m n LYS 330 Ca -0.14 -0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 3h0m n LYS 330 Cb 0.56 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3h0m n LYS 330 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3h0m s ASP 331 N -4.93 -0.16 0.43 4.39 1.47 -1.26 -5.04 116.67 111.57 3h0m s ASP 331 Ca -0.04 -0.79 0.15 0.00 1.18 0.00 0.00 52.55 53.06 3h0m s ASP 331 Cb 0.12 0.64 1.05 0.00 -0.34 0.00 0.00 42.92 44.39 3h0m s ASP 331 CO 0.85 -1.21 1.94 -0.29 0.68 0.00 0.00 175.17 177.13 3h0m h ILE 332 N 2.16 0.83 0.16 2.11 6.09 -1.98 0.26 117.51 127.13 3h0m h ILE 332 Ca -0.24 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 3h0m h ILE 332 Cb 1.25 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.93 3h0m h ILE 332 CO 0.31 0.07 -0.07 0.15 -3.07 0.00 0.00 178.15 175.54 3h0m h PHE 333 N 0.41 -0.19 -0.83 2.19 3.57 -1.99 0.24 116.94 120.34 3h0m h PHE 333 Ca 0.34 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3h0m h PHE 333 Cb 0.75 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3h0m h PHE 333 CO -0.00 0.02 0.42 0.93 -2.23 0.00 0.00 178.31 177.45 3h0m h GLU 334 N -0.39 1.18 -0.15 1.11 5.08 -1.83 0.94 114.58 120.52 3h0m h GLU 334 Ca -0.02 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3h0m h GLU 334 Cb 0.30 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3h0m h GLU 334 CO 0.04 0.89 -0.15 1.98 -1.00 0.00 0.00 179.01 180.77 3h0m h MET 335 N 1.17 -0.16 0.67 2.33 4.05 -0.69 0.15 114.93 122.44 3h0m h MET 335 Ca 0.29 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.69 3h0m h MET 335 Cb 0.09 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3h0m h MET 335 CO -0.04 -0.11 -0.32 1.88 0.23 0.00 0.00 176.91 178.55 3h0m h TYR 336 N -0.17 -0.83 -0.07 1.39 0.05 -0.32 -1.86 116.97 115.16 3h0m h TYR 336 Ca 0.10 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 3h0m h TYR 336 Cb 0.32 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3h0m h TYR 336 CO -0.28 -0.52 -0.24 0.00 -1.05 0.00 0.00 178.16 176.08 3h0m h ALA 337 N -0.55 1.47 0.16 3.88 0.00 -0.67 -2.57 119.26 120.98 3h0m h ALA 337 Ca -0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 3h0m h ALA 337 Cb 0.69 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3h0m h ALA 337 CO 0.15 0.38 -1.49 0.00 0.00 0.00 0.00 179.25 178.29 3h0m h ARG 338 N 0.12 0.34 -0.68 0.00 3.08 -0.99 -2.13 114.38 114.12 3h0m h ARG 338 Ca 0.02 -0.58 0.13 0.00 0.07 0.00 0.00 59.98 59.62 3h0m h ARG 338 Cb 0.49 0.21 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 3h0m h ARG 338 CO 0.03 1.28 0.22 1.15 -1.07 0.00 0.00 179.97 181.58 3h0m h THR 339 N -0.11 0.65 0.03 2.04 2.02 -1.27 -1.28 112.91 115.00 3h0m h THR 339 Ca -0.30 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 3h0m h THR 339 Cb 1.92 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3h0m h THR 339 CO 0.14 0.07 -0.49 0.03 0.37 0.00 0.00 175.52 175.63 3h0m h ARG 340 N 0.36 0.27 -0.68 6.66 3.08 -1.55 0.18 114.38 122.71 3h0m h ARG 340 Ca 0.37 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3h0m h ARG 340 Cb 0.54 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3h0m h ARG 340 CO -0.40 1.07 0.45 0.22 -1.07 0.00 0.00 179.97 180.24 3h0m h ASP 341 N -0.37 0.72 0.83 7.04 3.58 -1.30 -1.15 116.42 125.78 3h0m h ASP 341 Ca -0.07 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.13 3h0m h ASP 341 Cb 1.27 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 3h0m h ASP 341 CO 0.10 0.50 -1.16 -0.33 -2.88 0.00 0.00 179.24 175.47 3h0m h GLU 342 N 0.84 0.07 0.00 0.28 5.08 -1.22 -3.36 114.58 116.28 3h0m h GLU 342 Ca 0.27 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3h0m h GLU 342 Cb 0.03 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3h0m h GLU 342 CO -0.07 1.00 -1.19 0.78 -1.00 0.00 0.00 179.01 178.53 3h0m h GLY 343 N 2.68 0.00 -5.22 -3.84 0.00 -0.39 -3.47 103.07 92.83 3h0m h GLY 343 Ca -0.08 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.66 3h0m h GLY 343 CO 0.14 0.00 -0.18 -1.36 0.00 0.00 0.00 176.54 175.14 3h0m s PHE 344 N -3.06 3.64 1.11 5.60 0.08 -0.46 -2.27 117.98 122.63 3h0m s PHE 344 Ca -0.01 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 57.82 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 0.80 0.45 1.12 0.20 -0.10 0.00 0.00 175.22 177.68 3h0m s GLY 345 N -0.39 1.58 0.12 4.36 0.00 -1.26 -4.81 107.32 106.92 3h0m s GLY 345 Ca 0.24 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 3h0m s GLY 345 CO 0.12 0.03 1.29 -0.56 0.00 0.00 0.00 173.10 173.97 3h0m h PRO 346 N -2.26 0.39 -0.47 2.90 0.13 -1.97 -0.47 132.00 130.24 3h0m h PRO 346 Ca -0.49 -0.45 -0.10 0.00 -0.87 0.00 0.00 66.00 64.10 3h0m h PRO 346 Cb 1.31 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.55 3h0m h PRO 346 CO 0.44 1.12 -0.08 1.49 -0.23 0.00 0.00 178.00 180.74 3h0m h GLU 347 N 0.21 0.89 -0.28 0.86 4.57 -1.95 -1.20 114.58 117.69 3h0m h GLU 347 Ca -0.09 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 57.80 3h0m h GLU 347 Cb 1.62 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.12 3h0m h GLU 347 CO 0.17 0.97 0.08 0.28 -1.18 0.00 0.00 179.01 179.32 3h0m h VAL 348 N 0.74 0.90 -0.68 0.32 2.07 -1.85 -2.05 116.25 115.69 3h0m h VAL 348 Ca 0.12 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3h0m h VAL 348 Cb 0.62 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3h0m h VAL 348 CO 0.04 0.03 0.33 0.11 0.02 0.00 0.00 177.57 178.11 3h0m h LYS 349 N 0.19 0.97 -0.76 1.57 1.57 -0.86 -1.51 116.57 117.73 3h0m h LYS 349 Ca 0.13 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h0m h LYS 349 Cb 0.11 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3h0m h LYS 349 CO -0.15 0.74 0.49 0.00 -0.57 0.00 0.00 179.45 179.96 3h0m h ARG 350 N 0.96 1.02 0.00 3.15 3.08 -0.69 -1.78 114.38 120.13 3h0m h ARG 350 Ca 0.24 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 3h0m h ARG 350 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3h0m h ARG 350 CO -0.03 0.70 -0.77 0.00 -1.07 0.00 0.00 179.97 178.80 3h0m h ARG 351 N 1.04 0.00 -0.03 0.04 3.08 -1.00 -1.79 114.38 115.72 3h0m h ARG 351 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 3h0m h ARG 351 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3h0m h ARG 351 CO -0.06 0.77 0.01 0.82 -1.07 0.00 0.00 179.97 180.44 3h0m h ILE 352 N 0.00 1.16 0.19 2.04 2.04 -1.12 0.40 117.51 122.22 3h0m h ILE 352 Ca -0.01 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3h0m h ILE 352 Cb 1.46 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3h0m h ILE 352 CO 0.10 0.13 -0.15 0.24 0.00 0.00 0.00 178.15 178.47 3h0m h MET 353 N -0.14 -0.33 -0.47 2.37 2.86 -1.27 -1.58 114.93 116.38 3h0m h MET 353 Ca 0.01 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 3h0m h MET 353 Cb 0.20 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.84 3h0m h MET 353 CO -0.00 -0.22 -0.43 1.25 1.06 0.00 0.00 176.91 178.57 3h0m h LEU 354 N -0.35 -1.44 -0.46 1.22 5.85 -1.33 -2.50 115.31 116.30 3h0m h LEU 354 Ca -0.01 0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3h0m h LEU 354 Cb 0.31 0.64 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3h0m h LEU 354 CO -0.01 -0.36 0.28 1.23 -0.34 0.00 0.00 178.44 179.25 3h0m h GLY 355 N -0.29 0.65 2.00 3.75 0.00 -0.46 0.14 103.07 108.86 3h0m h GLY 355 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3h0m h GLY 355 CO -0.61 0.19 -0.03 0.00 0.00 0.00 0.00 176.54 176.09 3h0m h THR 356 N 0.57 0.11 0.00 4.70 1.03 -1.15 -1.37 112.91 116.80 3h0m h THR 356 Ca 0.18 -0.38 -0.02 0.00 -0.01 0.00 0.00 66.41 66.17 3h0m h THR 356 Cb -0.01 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 68.41 3h0m h THR 356 CO -0.07 0.03 -0.15 0.15 -0.01 0.00 0.00 175.52 175.47 3h0m h PHE 357 N 0.00 0.00 -0.61 0.00 3.04 -0.69 -3.01 116.94 115.66 3h0m h PHE 357 Ca -0.00 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.13 3h0m h PHE 357 Cb 0.34 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 3h0m h PHE 357 CO 0.00 0.84 0.53 0.00 -2.02 0.00 0.00 178.31 177.66 3h0m h ALA 358 N -0.27 2.45 0.00 2.41 0.00 -0.36 -1.11 119.26 122.38 3h0m h ALA 358 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h0m h ALA 358 Cb 0.83 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h0m h ALA 358 CO -0.02 -0.85 -1.13 1.28 0.00 0.00 0.00 179.25 178.53 3h0m n LEU 359 N -3.97 0.75 -4.77 0.00 4.77 -0.55 -3.61 117.00 109.62 3h0m n LEU 359 Ca 0.12 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 3h0m n LEU 359 Cb 0.77 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 3h0m n LEU 359 CO 0.32 0.18 1.12 -0.94 -1.33 0.00 0.00 177.39 176.74 3h0m s SER 360 N -3.35 6.46 0.35 -1.43 1.04 -0.42 -4.60 113.70 111.74 3h0m s SER 360 Ca 0.05 2.93 -0.29 0.00 0.48 0.00 0.00 55.95 59.12 3h0m s SER 360 Cb 0.16 -2.66 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 3h0m s SER 360 CO 0.86 -0.80 1.49 0.00 0.98 0.00 0.00 173.24 175.77 3h0m s ALA 361 N -0.84 3.61 0.00 5.32 0.00 -1.26 -0.73 121.76 127.86 3h0m s ALA 361 Ca 0.54 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.04 3h0m s ALA 361 Cb -0.45 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.07 3h0m s ALA 361 CO 0.57 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3h0m n GLY 362 N 0.98 3.12 0.00 0.00 0.00 -1.26 -4.75 105.19 103.28 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 -0.74 0.00 -0.22 1.61 4.01 -0.34 -4.78 117.16 116.71 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 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.50 -0.66 -0.72 5.03 -0.99 -0.13 116.97 120.00 3h0m h TYR 364 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3h0m h TYR 364 Cb 0.00 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 3h0m h TYR 364 CO 0.00 0.16 0.25 -0.44 -1.32 0.00 0.00 178.16 176.81 3h0m h ASP 365 N 0.49 0.93 1.62 -2.11 3.32 -1.86 -0.11 116.42 118.70 3h0m h ASP 365 Ca 0.32 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3h0m h ASP 365 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3h0m h ASP 365 CO -0.28 0.86 -0.39 0.00 -1.72 0.00 0.00 179.24 177.71 3h0m h ALA 366 N 1.10 0.80 -3.00 3.45 0.00 -1.81 -2.65 119.26 117.15 3h0m h ALA 366 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h0m h ALA 366 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h0m h ALA 366 CO -0.01 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.22 3h0m n TYR 367 N -3.10 0.00 0.03 0.00 4.02 -0.09 -4.54 117.16 113.48 3h0m n TYR 367 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 3h0m n TYR 367 Cb 0.64 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.92 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 -0.51 0.13 -0.72 3.20 -1.50 0.17 116.97 117.74 3h0m h TYR 368 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3h0m h TYR 368 Cb 0.00 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3h0m h TYR 368 CO 0.00 -0.27 -0.06 1.25 -1.64 0.00 0.00 178.16 177.43 3h0m h LEU 369 N -0.28 -0.15 -0.59 2.82 5.85 -1.23 -1.35 115.31 120.39 3h0m h LEU 369 Ca 0.08 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3h0m h LEU 369 Cb 0.39 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3h0m h LEU 369 CO -0.23 -0.07 0.02 0.50 -0.34 0.00 0.00 178.44 178.32 3h0m h LYS 370 N -0.21 0.13 -0.29 1.25 1.63 -1.27 -1.62 116.57 116.18 3h0m h LYS 370 Ca -0.02 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3h0m h LYS 370 Cb 0.17 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3h0m h LYS 370 CO 0.03 0.08 0.04 0.00 -3.45 0.00 0.00 179.45 176.15 3h0m h ALA 371 N 1.52 1.52 0.00 5.00 0.00 -0.59 -0.18 119.26 126.54 3h0m h ALA 371 Ca 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3h0m h ALA 371 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h0m h ALA 371 CO -0.49 0.35 -0.21 1.96 0.00 0.00 0.00 179.25 180.87 3h0m h GLN 372 N 0.42 0.00 0.06 0.00 1.08 -0.34 -0.33 115.11 116.00 3h0m h GLN 372 Ca 0.10 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3h0m h GLN 372 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3h0m h GLN 372 CO 0.00 0.21 -0.03 0.87 -0.95 0.00 0.00 178.83 178.93 3h0m h LYS 373 N 0.00 -0.07 -0.73 1.46 1.57 -0.50 -3.16 116.57 115.14 3h0m h LYS 373 Ca -0.00 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 3h0m h LYS 373 Cb 0.99 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3h0m h LYS 373 CO 0.03 0.49 0.52 0.28 -0.57 0.00 0.00 179.45 180.20 3h0m h VAL 374 N -0.92 0.67 -0.02 0.50 2.07 -1.02 0.14 116.25 117.67 3h0m h VAL 374 Ca -0.01 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3h0m h VAL 374 Cb 0.60 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3h0m h VAL 374 CO 0.01 0.02 -0.35 -0.09 0.02 0.00 0.00 177.57 177.18 3h0m h ARG 375 N 0.10 0.05 0.12 1.57 2.43 -1.10 -1.36 114.38 116.18 3h0m h ARG 375 Ca 0.35 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 59.23 3h0m h ARG 375 Cb 1.25 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3h0m h ARG 375 CO -0.04 0.39 -1.22 -0.09 -1.51 0.00 0.00 179.97 177.50 3h0m h ARG 376 N 0.04 0.34 -0.26 0.20 2.43 -0.70 -2.00 114.38 114.43 3h0m h ARG 376 Ca 0.00 -0.53 0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3h0m h ARG 376 Cb 0.64 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 3h0m h ARG 376 CO 0.05 1.23 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.48 3h0m h LEU 377 N 0.12 -0.61 -0.63 3.80 3.38 -1.12 -0.26 115.31 120.00 3h0m h LEU 377 Ca -0.14 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3h0m h LEU 377 Cb 1.92 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 42.95 3h0m h LEU 377 CO 0.21 -0.22 0.35 0.40 0.09 0.00 0.00 178.44 179.27 3h0m h ILE 378 N -0.17 1.20 -0.62 1.22 2.04 -1.27 -0.96 117.51 118.94 3h0m h ILE 378 Ca 0.14 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3h0m h ILE 378 Cb 0.39 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3h0m h ILE 378 CO -0.37 0.21 0.39 0.74 0.00 0.00 0.00 178.15 179.12 3h0m h THR 379 N 0.85 1.09 -0.63 -0.27 2.02 -1.05 -2.72 112.91 112.20 3h0m h THR 379 Ca 0.22 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3h0m h THR 379 Cb 0.03 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3h0m h THR 379 CO -0.04 0.14 0.10 0.78 0.37 0.00 0.00 175.52 176.88 3h0m h ASN 380 N 0.77 1.00 -0.73 4.18 2.35 -0.21 -1.31 115.58 121.63 3h0m h ASN 380 Ca 0.24 -0.26 0.14 0.00 -0.55 0.00 0.00 56.30 55.88 3h0m h ASN 380 Cb -0.01 -0.27 -0.14 0.00 0.05 0.00 0.00 38.32 37.96 3h0m h ASN 380 CO -0.09 1.01 -0.23 0.44 -1.65 0.00 0.00 177.43 176.91 3h0m h ASP 381 N 0.96 -0.82 -0.11 5.81 3.32 -0.91 -1.06 116.42 123.61 3h0m h ASP 381 Ca 0.19 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 3h0m h ASP 381 Cb 0.43 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3h0m h ASP 381 CO 0.01 -0.26 0.03 -0.26 -1.72 0.00 0.00 179.24 177.04 3h0m h PHE 382 N -0.03 0.17 -0.61 4.55 0.04 -1.02 -0.61 116.94 119.43 3h0m h PHE 382 Ca 0.34 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.14 3h0m h PHE 382 Cb 0.55 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 3h0m h PHE 382 CO -0.62 0.31 0.41 -0.07 -0.60 0.00 0.00 178.31 177.73 3h0m h LEU 383 N -0.01 0.54 0.04 1.54 3.38 -0.88 0.17 115.31 120.09 3h0m h LEU 383 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h0m h LEU 383 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h0m h LEU 383 CO -0.00 0.36 -0.02 0.50 0.09 0.00 0.00 178.44 179.36 3h0m h LYS 384 N 0.62 -0.06 -0.67 1.13 3.64 -0.98 -3.16 116.57 117.09 3h0m h LYS 384 Ca 0.26 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 3h0m h LYS 384 Cb 0.24 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3h0m h LYS 384 CO -0.08 0.51 0.45 0.00 -2.27 0.00 0.00 179.45 178.07 3h0m h ALA 385 N 0.22 2.11 0.00 5.00 0.00 -0.60 -0.86 119.26 125.13 3h0m h ALA 385 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 385 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h0m h ALA 385 CO 0.01 -0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.16 3h0m n PHE 386 N -4.46 0.00 0.09 0.00 3.72 0.56 -2.16 117.46 115.21 3h0m n PHE 386 Ca 0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3h0m n PHE 386 Cb 0.47 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.15 0.00 -1.08 5.08 -1.13 -3.36 114.58 114.25 3h0m h GLU 387 Ca 0.00 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 57.87 3h0m h GLU 387 Cb 0.18 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 3h0m h GLU 387 CO 0.00 0.86 -2.16 0.39 -1.00 0.00 0.00 179.01 177.10 3h0m n GLU 388 N -3.70 0.67 -4.30 2.33 1.02 -0.92 -5.04 120.64 110.71 3h0m n GLU 388 Ca -0.03 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 3h0m n GLU 388 Cb 0.75 -1.61 -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 0.87 -0.22 2.62 -7.23 -0.92 -4.98 120.40 108.02 3h0m s VAL 389 Ca -0.10 -2.01 0.13 0.00 -1.81 0.00 0.00 61.98 58.18 3h0m s VAL 389 Cb 0.07 -2.28 -0.22 0.00 0.56 0.00 0.00 36.38 34.50 3h0m s VAL 389 CO 0.81 -0.36 -0.02 0.47 -0.31 0.00 0.00 175.10 175.70 3h0m n ASP 390 N -0.36 0.64 -3.96 4.85 8.00 -0.62 -4.43 116.55 120.68 3h0m n ASP 390 Ca -0.05 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.32 3h0m n ASP 390 Cb 0.64 0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.50 0.16 -0.20 2.53 -7.23 -1.03 -4.34 120.40 107.78 3h0m s VAL 391 Ca -0.18 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3h0m s VAL 391 Cb 0.07 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 3h0m s VAL 391 CO 0.76 -0.72 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.13 3h0m s ILE 392 N -3.12 3.19 -0.11 -0.62 1.01 -0.18 -0.90 121.20 120.46 3h0m s ILE 392 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3h0m s ILE 392 Cb 0.02 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3h0m s ILE 392 CO -0.07 0.45 -0.02 0.00 0.00 0.00 0.00 174.94 175.30 3h0m s ALA 393 N 1.31 3.15 0.30 9.38 0.00 -0.70 -0.99 121.76 134.22 3h0m s ALA 393 Ca 0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3h0m s ALA 393 Cb -0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 3h0m s ALA 393 CO -0.03 0.44 0.45 -1.54 0.00 0.00 0.00 175.76 175.08 3h0m s SER 394 N -0.38 0.45 0.03 0.00 1.04 -0.73 -4.59 113.70 109.52 3h0m s SER 394 Ca 0.07 -1.27 -0.38 0.00 0.48 0.00 0.00 55.95 54.84 3h0m s SER 394 Cb -0.12 0.62 -0.19 0.00 0.10 0.00 0.00 66.02 66.42 3h0m s SER 394 CO 0.02 -1.22 1.06 -2.65 0.98 0.00 0.00 173.24 171.44 3h0m n PRO 395 N -0.47 0.17 -0.08 4.02 -0.02 -1.26 0.11 135.00 137.47 3h0m n PRO 395 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3h0m n PRO 395 Cb 0.62 -1.54 0.29 0.00 -0.02 0.00 0.00 33.50 32.85 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 2.86 1.18 -3.63 3.45 2.02 -1.69 -3.42 112.91 113.68 3h0m h THR 396 Ca -0.48 -0.57 -0.23 0.00 0.77 0.00 0.00 66.41 65.90 3h0m h THR 396 Cb 1.42 0.61 -0.28 0.00 -1.74 0.00 0.00 68.15 68.15 3h0m h THR 396 CO 0.66 0.22 -0.68 -0.89 0.37 0.00 0.00 175.52 175.20 3h0m s THR 397 N -5.32 -0.00 0.42 3.16 2.01 -1.26 -4.42 115.64 110.22 3h0m s THR 397 Ca -0.09 0.02 0.35 0.00 0.31 0.00 0.00 61.69 62.28 3h0m s THR 397 Cb 0.16 -0.06 0.38 0.00 0.01 0.00 0.00 72.50 72.99 3h0m s THR 397 CO 0.77 0.01 2.16 1.55 -0.69 0.00 0.00 174.62 178.42 3h0m h PRO 398 N 6.19 0.00 -5.03 4.92 0.13 -1.87 -3.45 132.00 132.88 3h0m h PRO 398 Ca -0.26 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.48 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 0.49 0.04 -0.62 0.95 -0.23 0.00 0.00 178.00 178.62 3h0m s THR 399 N -4.05 0.85 0.67 1.56 -4.23 -1.26 -0.79 115.64 108.38 3h0m s THR 399 Ca -0.03 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 3h0m s THR 399 Cb 0.12 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3h0m s THR 399 CO 0.51 -0.07 1.11 -0.76 -0.54 0.00 0.00 174.62 174.87 3h0m s LEU 400 N -3.36 3.36 -0.39 4.79 1.43 -1.26 -4.94 118.68 118.31 3h0m s LEU 400 Ca 0.35 1.99 -0.37 0.00 -1.03 0.00 0.00 54.13 55.08 3h0m s LEU 400 Cb 0.08 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.59 3h0m s LEU 400 CO 0.13 -1.67 1.27 -2.65 0.23 0.00 0.00 176.35 173.67 3h0m n PRO 401 N -2.50 0.00 -2.63 1.29 -0.02 -1.26 -4.95 135.00 124.93 3h0m n PRO 401 Ca 0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.36 3h0m n PRO 401 Cb 0.52 -1.18 0.09 0.00 -0.02 0.00 0.00 33.50 32.91 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 2.45 1.91 0.28 6.00 -0.12 -1.26 -4.85 117.98 122.39 3h0m s PHE 402 Ca 0.83 -0.24 -0.05 0.00 -0.05 0.00 0.00 56.93 57.42 3h0m s PHE 402 Cb -1.18 -2.87 -0.05 0.00 -0.63 0.00 0.00 43.02 38.29 3h0m s PHE 402 CO 0.64 -1.45 0.55 0.15 -0.05 0.00 0.00 175.22 175.07 3h0m s LYS 403 N -5.01 3.65 0.45 1.99 1.02 -1.26 -1.77 119.74 118.81 3h0m s LYS 403 Ca 0.64 0.04 -0.24 0.00 0.02 0.00 0.00 55.97 56.42 3h0m s LYS 403 Cb -0.07 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.51 3h0m s LYS 403 CO 0.42 0.22 1.11 1.19 -0.92 0.00 0.00 175.35 177.38 3h0m n PHE 404 N -0.86 1.53 -0.16 3.18 3.72 -1.20 -1.97 117.46 121.70 3h0m n PHE 404 Ca -0.01 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3h0m n PHE 404 Cb 0.54 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 3h0m n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h0m n GLY 405 N 1.04 2.23 0.17 1.37 0.00 -1.26 -4.86 105.19 103.88 3h0m n GLY 405 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3h0m n GLY 405 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 406 N 1.82 0.16 -0.06 1.61 5.08 -1.80 -3.28 114.58 118.11 3h0m h GLU 406 Ca 0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3h0m h GLU 406 Cb 0.00 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.13 3h0m h GLU 406 CO 0.00 0.67 -0.67 0.54 -1.00 0.00 0.00 179.01 178.55 3h0m n ARG 407 N -3.90 1.36 -0.01 2.33 1.74 -1.26 -4.61 116.66 112.31 3h0m n ARG 407 Ca -0.02 -3.07 0.09 0.00 -0.77 0.00 0.00 57.85 54.08 3h0m n ARG 407 Cb 0.57 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.70 0.15 0.06 0.55 4.77 -1.24 -3.81 117.00 116.78 3h0m n LEU 408 Ca 0.17 -0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 3h0m n LEU 408 Cb 0.82 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 3h0m n LEU 408 CO -0.01 0.04 0.41 -0.08 -1.33 0.00 0.00 177.39 176.43 3h0m h GLU 409 N 0.00 -0.14 -4.85 3.23 4.81 -1.82 -3.40 114.58 112.41 3h0m h GLU 409 Ca 0.00 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.59 3h0m h GLU 409 Cb 0.73 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 29.97 3h0m h GLU 409 CO 0.00 -0.09 -0.47 1.21 -0.73 0.00 0.00 179.01 178.92 3h0m s ASN 410 N -2.45 6.06 0.43 1.04 3.84 -1.26 -4.97 114.94 117.63 3h0m s ASN 410 Ca -0.02 -0.15 0.24 0.00 0.21 0.00 0.00 52.86 53.14 3h0m s ASN 410 Cb 0.00 -2.14 1.25 0.00 -0.55 0.00 0.00 41.25 39.82 3h0m s ASN 410 CO 0.06 -0.14 1.74 -0.65 -2.79 0.00 0.00 177.10 175.32 3h0m h PRO 411 N 8.41 0.25 -0.99 0.43 0.11 -1.83 -0.80 132.00 137.57 3h0m h PRO 411 Ca -0.33 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.84 3h0m h PRO 411 Cb 1.17 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3h0m h PRO 411 CO 0.59 0.17 0.64 0.82 -0.21 0.00 0.00 178.00 180.01 3h0m h ILE 412 N 0.26 1.04 -0.35 4.15 2.04 -1.93 -1.38 117.51 121.34 3h0m h ILE 412 Ca 0.64 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 66.14 3h0m h ILE 412 Cb 1.89 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3h0m h ILE 412 CO -0.28 0.20 0.23 -0.33 0.00 0.00 0.00 178.15 177.98 3h0m h GLU 413 N 1.11 0.39 -0.48 2.37 5.08 -1.44 -0.67 114.58 120.96 3h0m h GLU 413 Ca 0.45 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 3h0m h GLU 413 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3h0m h GLU 413 CO -0.20 0.26 -0.10 1.98 -1.00 0.00 0.00 179.01 179.95 3h0m h MET 414 N 0.41 0.91 -0.88 2.33 4.05 -1.34 -3.24 114.93 117.17 3h0m h MET 414 Ca 0.14 -0.34 -0.01 0.00 -0.28 0.00 0.00 59.70 59.21 3h0m h MET 414 Cb 0.05 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 3h0m h MET 414 CO -0.03 1.00 0.51 1.88 0.23 0.00 0.00 176.91 180.49 3h0m h TYR 415 N 0.76 1.18 0.00 1.39 0.05 -0.96 -2.35 116.97 117.04 3h0m h TYR 415 Ca 0.12 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3h0m h TYR 415 Cb 0.65 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3h0m h TYR 415 CO 0.05 0.80 0.08 1.28 -1.05 0.00 0.00 178.16 179.32 3h0m n LEU 416 N -4.35 0.42 0.28 3.88 4.77 -0.83 -1.04 117.00 120.13 3h0m n LEU 416 Ca 0.10 0.66 0.16 0.00 -0.03 0.00 0.00 56.01 56.89 3h0m n LEU 416 Cb 0.08 -0.69 0.78 0.00 -2.33 0.00 0.00 43.42 41.26 3h0m n LEU 416 CO 0.38 -0.80 1.00 0.28 -1.33 0.00 0.00 177.39 176.92 3h0m h SER 417 N 0.00 0.00 -0.01 -1.43 0.02 -1.55 -3.26 113.55 107.33 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 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3h0m h SER 417 CO 0.00 0.07 -0.12 0.47 -1.14 0.00 0.00 176.83 176.12 3h0m n ASP 418 N -3.34 2.38 0.06 3.07 8.00 -0.21 -4.59 116.55 121.92 3h0m n ASP 418 Ca -0.01 -1.73 0.21 0.00 0.71 0.00 0.00 54.79 53.97 3h0m n ASP 418 Cb 0.25 0.11 0.74 0.00 -0.02 0.00 0.00 41.12 42.20 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 3.55 0.49 -0.01 0.53 3.07 -1.73 0.15 117.51 123.56 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 0.82 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 3h0m h ILE 419 CO 0.00 0.00 -0.32 0.18 -1.05 0.00 0.00 178.15 176.96 3h0m n LEU 420 N -3.93 1.90 -0.08 0.16 4.77 -1.26 -4.60 117.00 113.96 3h0m n LEU 420 Ca 0.08 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 3h0m n LEU 420 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3h0m n LEU 420 CO 0.31 0.35 -1.04 0.35 -1.33 0.00 0.00 177.39 176.04 3h0m n THR 421 N 0.10 1.03 0.09 -5.08 -2.24 0.47 -4.63 114.28 104.02 3h0m n THR 421 Ca 0.08 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 3h0m n THR 421 Cb 0.40 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 68.02 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 1.29 -1.00 2.28 -1.51 -1.44 -2.94 116.25 112.92 3h0m h VAL 422 Ca -0.41 -1.41 0.28 0.00 -1.23 0.00 0.00 66.70 63.94 3h0m h VAL 422 Cb 1.79 1.59 -0.14 0.00 -2.13 0.00 0.00 31.29 32.41 3h0m h VAL 422 CO -0.02 0.42 0.58 -0.65 -1.23 0.00 0.00 177.57 176.68 3h0m h PRO 423 N 0.23 0.46 0.00 5.19 0.11 -1.84 -1.49 132.00 134.65 3h0m h PRO 423 Ca 0.03 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3h0m h PRO 423 Cb 0.75 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3h0m h PRO 423 CO 0.06 0.30 -0.53 0.00 -0.21 0.00 0.00 178.00 177.62 3h0m h ALA 424 N 1.78 1.04 -0.14 -0.75 0.00 -1.83 -2.37 119.26 116.99 3h0m h ALA 424 Ca 0.68 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3h0m h ALA 424 Cb 1.42 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.13 3h0m h ALA 424 CO -0.53 0.66 -0.63 -0.91 0.00 0.00 0.00 179.25 177.84 3h0m h ASN 425 N 0.00 0.79 -0.49 0.00 4.21 -1.44 0.77 115.58 119.41 3h0m h ASN 425 Ca -0.01 -0.63 0.08 0.00 1.21 0.00 0.00 56.30 56.96 3h0m h ASN 425 Cb 0.99 -0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 37.89 3h0m h ASN 425 CO 0.07 1.29 0.11 -0.07 -1.29 0.00 0.00 177.43 177.53 3h0m h LEU 426 N 0.34 0.02 -0.27 1.61 3.38 -1.25 -1.92 115.31 117.22 3h0m h LEU 426 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h0m h LEU 426 Cb 1.26 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3h0m h LEU 426 CO 0.13 0.04 -0.05 0.00 0.09 0.00 0.00 178.44 178.65 3h0m n ALA 427 N -2.51 2.68 -1.80 1.53 0.00 -0.91 -4.86 120.51 114.65 3h0m n ALA 427 Ca 0.05 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 3h0m n ALA 427 Cb 0.24 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 3h0m n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 428 N 1.17 0.84 3.89 0.00 0.00 -0.72 -4.98 105.19 105.39 3h0m n GLY 428 Ca 0.18 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.98 4.07 0.56 0.99 1.43 0.20 -2.11 118.68 119.83 3h0m s LEU 429 Ca 0.00 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 3h0m s LEU 429 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 3h0m s LEU 429 CO 0.00 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 3h0m s PRO 430 N -3.35 3.37 -0.24 1.29 0.04 -1.26 -4.62 135.00 130.24 3h0m s PRO 430 Ca 0.46 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 3h0m s PRO 430 Cb -0.11 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.47 3h0m s PRO 430 CO 0.27 -0.81 0.62 0.00 0.04 0.00 0.00 177.00 177.13 3h0m s ALA 431 N -2.01 -1.56 0.04 8.56 0.00 -0.24 -1.72 121.76 124.83 3h0m s ALA 431 Ca 0.69 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.56 3h0m s ALA 431 Cb -0.20 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3h0m s ALA 431 CO 0.29 -0.30 -0.23 -1.50 0.00 0.00 0.00 175.76 174.01 3h0m s ILE 432 N 0.52 1.87 -0.14 0.00 2.07 -0.52 -1.53 121.20 123.48 3h0m s ILE 432 Ca -0.02 -1.25 -0.00 0.00 -1.41 0.00 0.00 60.65 57.97 3h0m s ILE 432 Cb -0.05 -1.61 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 3h0m s ILE 432 CO -0.02 0.30 -0.13 -0.55 -1.91 0.00 0.00 174.94 172.64 3h0m s SER 433 N -1.13 4.01 -0.05 4.50 0.15 -0.25 -1.67 113.70 119.26 3h0m s SER 433 Ca 0.09 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.43 3h0m s SER 433 Cb -0.09 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3h0m s SER 433 CO 0.02 0.15 -0.14 -0.63 1.20 0.00 0.00 173.24 173.83 3h0m s ILE 434 N 0.46 1.22 0.03 6.45 -1.09 0.15 -1.66 121.20 126.76 3h0m s ILE 434 Ca -0.09 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 3h0m s ILE 434 Cb -0.16 -1.08 -0.05 0.00 -1.58 0.00 0.00 42.46 39.60 3h0m s ILE 434 CO 0.05 0.37 1.16 -2.84 -1.23 0.00 0.00 174.94 172.45 3h0m s PRO 435 N 0.32 4.44 -0.01 2.79 0.02 -1.26 0.78 135.00 142.08 3h0m s PRO 435 Ca -0.08 1.70 0.03 0.00 0.02 0.00 0.00 61.00 62.66 3h0m s PRO 435 Cb -0.13 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 3h0m s PRO 435 CO 0.03 -0.26 0.05 0.44 -0.33 0.00 0.00 177.00 176.93 3h0m n ILE 436 N 4.05 0.04 -3.76 2.83 -5.35 0.79 -4.85 119.36 113.10 3h0m n ILE 436 Ca 0.09 -0.08 -0.03 0.00 -0.27 0.00 0.00 62.75 62.46 3h0m n ILE 436 Cb 0.47 0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.17 -1.66 -0.11 -1.28 0.00 -1.21 -4.89 121.76 110.43 3h0m s ALA 437 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3h0m s ALA 437 Cb 0.02 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3h0m s ALA 437 CO 0.12 -1.05 -0.18 -1.58 0.00 0.00 0.00 175.76 173.07 3h0m s TRP 438 N -3.18 2.19 -0.11 0.00 0.52 -1.26 -1.33 118.94 115.78 3h0m s TRP 438 Ca 0.13 -1.03 -0.01 0.00 0.02 0.00 0.00 56.10 55.22 3h0m s TRP 438 Cb -0.01 -1.54 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3h0m s TRP 438 CO 0.02 -0.49 -0.05 0.15 0.02 0.00 0.00 176.95 176.60 3h0m s LYS 439 N 0.85 1.25 -1.65 4.98 -0.14 0.01 -4.69 119.74 120.34 3h0m s LYS 439 Ca -0.09 -0.17 -0.02 0.00 -1.36 0.00 0.00 55.97 54.33 3h0m s LYS 439 Cb -0.15 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.55 3h0m s LYS 439 CO -0.00 -0.29 0.24 -0.25 -0.76 0.00 0.00 175.35 174.29 3h0m n ASP 440 N 5.00 -5.84 0.00 2.83 8.00 -1.26 -2.22 116.55 123.06 3h0m n ASP 440 Ca -0.11 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.27 3h0m n ASP 440 Cb 0.50 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 3h0m n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 441 N -1.20 1.12 3.47 0.44 0.00 -1.26 -5.05 105.19 102.70 3h0m n GLY 441 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3h0m n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 442 N 0.00 2.70 0.59 0.99 1.43 -0.94 -4.91 118.68 118.54 3h0m s LEU 442 Ca 0.00 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 3h0m s LEU 442 Cb 0.00 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3h0m s LEU 442 CO 0.00 0.32 1.18 -2.84 0.23 0.00 0.00 176.35 175.24 3h0m s PRO 443 N -0.95 3.05 -0.06 1.29 0.02 -1.26 -0.81 135.00 136.28 3h0m s PRO 443 Ca 0.13 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.92 3h0m s PRO 443 Cb -0.11 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.48 3h0m s PRO 443 CO 0.02 -1.13 -0.12 0.08 -0.33 0.00 0.00 177.00 175.53 3h0m s VAL 444 N -1.68 1.07 -0.13 3.83 1.01 -0.44 -4.65 120.40 119.42 3h0m s VAL 444 Ca 0.76 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3h0m s VAL 444 Cb -0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3h0m s VAL 444 CO 0.32 0.34 0.15 -0.83 0.00 0.00 0.00 175.10 175.07 3h0m s GLY 445 N 0.55 2.15 -0.14 4.51 0.00 -1.26 -0.15 107.32 112.98 3h0m s GLY 445 Ca -0.12 -0.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.90 3h0m s GLY 445 CO 0.03 -0.26 0.11 -0.32 0.00 0.00 0.00 173.10 172.66 3h0m s GLY 446 N -0.76 2.06 -0.10 0.20 0.00 0.23 -2.04 107.32 106.90 3h0m s GLY 446 Ca 0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3h0m s GLY 446 CO 0.03 -0.22 -0.02 1.62 0.00 0.00 0.00 173.10 174.51 3h0m s GLN 447 N -0.49 3.14 -0.12 2.90 0.74 0.31 -0.68 119.66 125.45 3h0m s GLN 447 Ca 0.11 -0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.08 3h0m s GLN 447 Cb -0.12 -2.79 0.02 0.00 1.10 0.00 0.00 33.01 31.22 3h0m s GLN 447 CO 0.02 0.57 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.65 3h0m s LEU 448 N -0.51 1.78 -0.22 3.68 1.43 -0.67 -1.78 118.68 122.38 3h0m s LEU 448 Ca 0.08 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3h0m s LEU 448 Cb -0.12 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3h0m s LEU 448 CO 0.02 0.01 0.15 -0.63 0.23 0.00 0.00 176.35 176.13 3h0m s ILE 449 N 1.10 5.38 0.48 -0.59 1.01 -0.16 -1.44 121.20 126.98 3h0m s ILE 449 Ca -0.03 0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3h0m s ILE 449 Cb -0.14 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.85 3h0m s ILE 449 CO -0.04 0.39 0.44 -0.83 0.00 0.00 0.00 174.94 174.90 3h0m s GLY 450 N 0.68 2.18 0.63 6.18 0.00 -0.70 -1.02 107.32 115.27 3h0m s GLY 450 Ca 0.08 -1.70 -0.14 0.00 0.00 0.00 0.00 44.72 42.96 3h0m s GLY 450 CO 0.01 -1.79 1.05 0.54 0.00 0.00 0.00 173.10 172.91 3h0m s LYS 451 N -4.25 3.22 -0.11 2.90 1.02 -1.26 -4.10 119.74 117.15 3h0m s LYS 451 Ca 0.45 1.09 -0.39 0.00 0.02 0.00 0.00 55.97 57.14 3h0m s LYS 451 Cb -0.03 -2.02 -0.17 0.00 -0.52 0.00 0.00 37.83 35.09 3h0m s LYS 451 CO 0.27 -0.88 1.48 0.72 -0.92 0.00 0.00 175.35 176.01 3h0m n HIS 452 N -2.41 1.63 -0.97 3.18 8.25 -1.26 -0.95 115.22 122.69 3h0m n HIS 452 Ca 0.08 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 3h0m n HIS 452 Cb 0.53 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.30 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 3.59 0.00 -2.02 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 0.13 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 28.88 3h0m n TRP 453 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3h0m n ASP 454 N -0.04 7.06 0.17 -0.99 2.03 -0.13 -4.60 116.55 120.06 3h0m n ASP 454 Ca 0.00 -3.82 0.04 0.00 0.52 0.00 0.00 54.79 51.53 3h0m n ASP 454 Cb 0.02 -0.97 0.45 0.00 -0.72 0.00 0.00 41.12 39.90 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 2.94 0.11 -0.27 -0.67 3.07 -1.92 -3.10 114.58 114.74 3h0m h GLU 455 Ca 0.52 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.42 3h0m h GLU 455 Cb 0.17 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.99 3h0m h GLU 455 CO 1.34 0.28 -0.34 1.15 -1.40 0.00 0.00 179.01 180.04 3h0m h THR 456 N 0.11 0.24 -0.23 1.13 2.02 -1.98 0.67 112.91 114.87 3h0m h THR 456 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3h0m h THR 456 Cb 0.35 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3h0m h THR 456 CO 0.02 0.00 0.15 0.74 0.37 0.00 0.00 175.52 176.80 3h0m h THR 457 N -0.33 1.08 -0.92 3.16 2.02 -1.93 0.27 112.91 116.26 3h0m h THR 457 Ca 0.13 -0.17 0.17 0.00 0.77 0.00 0.00 66.41 67.31 3h0m h THR 457 Cb 0.55 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.63 3h0m h THR 457 CO -0.45 0.08 0.50 -0.07 0.37 0.00 0.00 175.52 175.95 3h0m h LEU 458 N 0.30 0.62 -0.20 2.58 4.07 -1.51 -1.23 115.31 119.94 3h0m h LEU 458 Ca 0.09 0.10 -0.11 0.00 0.08 0.00 0.00 57.88 58.03 3h0m h LEU 458 Cb -0.00 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 3h0m h LEU 458 CO -0.02 0.23 -0.31 -0.07 -1.08 0.00 0.00 178.44 177.19 3h0m h LEU 459 N 0.67 0.63 -0.04 1.67 3.38 0.89 -2.60 115.31 119.91 3h0m h LEU 459 Ca 0.52 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h0m h LEU 459 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3h0m h LEU 459 CO -0.38 1.03 0.02 1.56 0.09 0.00 0.00 178.44 180.76 3h0m h GLN 460 N 0.24 0.05 -0.25 1.13 4.20 0.28 0.27 115.11 121.03 3h0m h GLN 460 Ca 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3h0m h GLN 460 Cb 0.90 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3h0m h GLN 460 CO 0.07 0.05 0.11 0.82 -0.67 0.00 0.00 178.83 179.21 3h0m h ILE 461 N 0.04 1.10 -0.48 2.54 2.04 -1.32 0.23 117.51 121.66 3h0m h ILE 461 Ca 0.01 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 3h0m h ILE 461 Cb 0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3h0m h ILE 461 CO -0.00 0.11 -0.03 -1.28 0.00 0.00 0.00 178.15 176.95 3h0m h SER 462 N 0.35 0.86 -0.67 1.72 0.87 -0.94 -0.73 113.55 115.01 3h0m h SER 462 Ca 0.09 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3h0m h SER 462 Cb 0.06 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3h0m h SER 462 CO -0.01 0.98 0.30 0.22 -0.53 0.00 0.00 176.83 177.78 3h0m h TYR 463 N 0.72 0.99 -0.44 2.24 3.20 0.26 -2.32 116.97 121.62 3h0m h TYR 463 Ca 0.13 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3h0m h TYR 463 Cb 0.55 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3h0m h TYR 463 CO 0.04 0.75 0.04 1.25 -1.64 0.00 0.00 178.16 178.61 3h0m h LEU 464 N 0.93 0.72 -1.33 2.82 5.85 -0.82 -3.04 115.31 120.44 3h0m h LEU 464 Ca 0.23 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3h0m h LEU 464 Cb 0.16 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3h0m h LEU 464 CO -0.02 0.82 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.57 3h0m h TRP 465 N 0.60 0.36 0.00 1.25 2.91 -0.92 -2.73 115.95 117.41 3h0m h TRP 465 Ca 0.13 -0.04 -0.11 0.00 1.13 0.00 0.00 58.89 60.00 3h0m h TRP 465 Cb 0.43 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 3h0m h TRP 465 CO 0.03 0.43 -0.55 1.05 -1.03 0.00 0.00 178.44 178.38 3h0m h GLU 466 N 0.33 0.00 -0.29 2.65 4.11 -1.31 0.23 114.58 120.30 3h0m h GLU 466 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 3h0m h GLU 466 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h0m h GLU 466 CO 0.02 0.55 0.13 1.96 0.07 0.00 0.00 179.01 181.73 3h0m h GLN 467 N 0.00 0.42 -0.28 1.06 1.08 -1.42 -2.65 115.11 113.32 3h0m h GLN 467 Ca -0.01 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 3h0m h GLN 467 Cb 1.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 3h0m h GLN 467 CO 0.07 0.42 -0.35 0.87 -0.95 0.00 0.00 178.83 178.89 3h0m h LYS 468 N 0.32 0.61 -2.91 1.46 1.57 -1.31 -3.42 116.57 112.90 3h0m h LYS 468 Ca 0.10 -0.29 -0.50 0.00 -1.87 0.00 0.00 60.65 58.09 3h0m h LYS 468 Cb 0.14 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.04 3h0m h LYS 468 CO -0.01 0.88 -0.77 0.12 -0.57 0.00 0.00 179.45 179.10 3h0m s PHE 469 N -4.35 0.28 -1.30 -1.35 5.36 0.77 -5.06 117.98 112.33 3h0m s PHE 469 Ca -0.08 -0.65 -0.12 0.00 -0.96 0.00 0.00 56.93 55.12 3h0m s PHE 469 Cb 0.13 -0.82 0.13 0.00 -0.34 0.00 0.00 43.02 42.12 3h0m s PHE 469 CO 0.82 -0.70 1.83 1.63 -1.46 0.00 0.00 175.22 177.35 3h0m n LYS 470 N 5.26 3.35 0.17 10.12 5.02 -1.02 -4.21 118.16 136.84 3h0m n LYS 470 Ca -0.06 -3.38 0.13 0.00 -2.02 0.00 0.00 58.31 52.98 3h0m n LYS 470 Cb 0.45 -3.10 0.56 0.00 -0.02 0.00 0.00 35.03 32.91 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 6.37 0.00 0.00 2.13 2.07 -1.91 -2.79 115.15 121.02 3h0m h HIS 471 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3h0m h HIS 471 Cb 0.72 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.70 3h0m h HIS 471 CO 1.28 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.62 3h0m n TYR 472 N -2.45 0.14 0.10 6.12 0.18 -1.26 -2.38 117.16 117.61 3h0m n TYR 472 Ca 0.01 0.05 0.06 0.00 1.88 0.00 0.00 57.90 59.90 3h0m n TYR 472 Cb 0.23 -0.58 -0.01 0.00 -0.38 0.00 0.00 39.34 38.61 3h0m n TYR 472 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3h0m h GLU 473 N 0.00 0.00 -6.21 -3.48 5.08 -1.88 -3.44 114.58 104.64 3h0m h GLU 473 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3h0m h GLU 473 Cb 0.39 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3h0m h GLU 473 CO 0.00 0.17 1.19 0.15 -1.00 0.00 0.00 179.01 179.52 3h0m s LYS 474 N -3.13 2.99 -0.22 2.33 -0.14 -1.00 -4.97 119.74 115.59 3h0m s LYS 474 Ca 0.00 0.25 -0.04 0.00 -1.36 0.00 0.00 55.97 54.83 3h0m s LYS 474 Cb 0.08 -4.25 -0.01 0.00 -1.68 0.00 0.00 37.83 31.97 3h0m s LYS 474 CO 0.78 -2.34 -0.04 0.42 -0.76 0.00 0.00 175.35 173.41 3h0m s ILE 475 N 7.15 3.38 0.91 2.17 1.01 -1.26 -5.06 121.20 129.49 3h0m s ILE 475 Ca 0.52 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 3h0m s ILE 475 Cb -0.11 -2.55 0.16 0.00 0.01 0.00 0.00 42.46 39.97 3h0m s ILE 475 CO 0.19 0.40 1.27 -2.16 0.00 0.00 0.00 174.94 174.64 3h0m s PRO 476 N 1.47 1.10 -1.43 2.79 0.04 -1.26 -4.32 135.00 133.38 3h0m s PRO 476 Ca 0.05 -0.25 -0.04 0.00 0.04 0.00 0.00 61.00 60.80 3h0m s PRO 476 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3h0m s PRO 476 CO -0.03 -2.12 0.29 1.28 0.04 0.00 0.00 177.00 176.45 3h0m n LEU 477 N -3.60 -1.55 0.00 -3.56 4.77 -1.26 -4.90 117.00 106.90 3h0m n LEU 477 Ca 0.13 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3h0m n LEU 477 Cb 0.60 -1.92 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 3h0m n LEU 477 CO 0.49 0.49 0.00 0.35 -1.33 0.00 0.00 177.39 177.39