#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n LEU 2 N 0.00 0.00 0.14 -0.89 7.94 -1.26 -4.24 117.00 118.69 3h0m n LEU 2 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3h0m n LEU 2 Cb 0.00 0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.46 3h0m n LEU 2 CO 0.00 0.00 0.85 -2.67 -1.11 0.00 0.00 177.39 174.46 3h0m n TRP 3 N 0.00 0.78 1.38 1.96 4.27 -1.26 -1.29 117.44 123.28 3h0m n TRP 3 Ca 0.00 0.33 0.14 0.00 -3.89 0.00 0.00 57.50 54.08 3h0m n TRP 3 Cb 0.00 -1.04 0.60 0.00 -1.36 0.00 0.00 31.31 29.52 3h0m n TRP 3 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 3h0m n LYS 4 N -2.24 0.64 -3.75 -2.67 4.81 -1.26 -4.91 118.16 108.78 3h0m n LYS 4 Ca 0.01 -0.21 -0.30 0.00 -0.87 0.00 0.00 58.31 56.94 3h0m n LYS 4 Cb 0.17 -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 -2.51 3.54 0.87 1.64 1.02 -0.42 -4.85 119.74 119.03 3h0m s LYS 5 Ca 0.28 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 3h0m s LYS 5 Cb 0.20 -2.90 0.12 0.00 -0.52 0.00 0.00 37.83 34.73 3h0m s LYS 5 CO 0.48 0.49 1.21 -1.54 -0.92 0.00 0.00 175.35 175.07 3h0m s SER 6 N -2.68 3.99 0.51 2.83 1.04 -1.26 -4.80 113.70 113.33 3h0m s SER 6 Ca 0.39 0.67 0.29 0.00 0.48 0.00 0.00 55.95 57.77 3h0m s SER 6 Cb -0.12 -1.05 1.28 0.00 0.10 0.00 0.00 66.02 66.23 3h0m s SER 6 CO 0.27 -2.22 1.97 -0.07 0.98 0.00 0.00 173.24 174.17 3h0m h LEU 7 N -1.28 0.00 -0.07 2.42 3.38 -1.97 0.18 115.31 117.97 3h0m h LEU 7 Ca -0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 3h0m h LEU 7 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3h0m h LEU 7 CO 0.58 0.12 -0.32 0.28 0.09 0.00 0.00 178.44 179.19 3h0m h SER 8 N 0.00 0.40 -0.39 -0.43 0.02 -1.99 0.49 113.55 111.66 3h0m h SER 8 Ca -0.00 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.28 3h0m h SER 8 Cb 0.53 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3h0m h SER 8 CO 0.02 0.98 0.16 -0.33 -1.14 0.00 0.00 176.83 176.52 3h0m h GLU 9 N -0.16 0.57 -0.46 3.45 5.08 -1.83 -2.47 114.58 118.77 3h0m h GLU 9 Ca -0.02 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3h0m h GLU 9 Cb 0.97 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3h0m h GLU 9 CO 0.07 0.53 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.51 3h0m h LEU 10 N 0.48 0.82 -0.07 1.33 4.07 -0.68 -2.87 115.31 118.38 3h0m h LEU 10 Ca 0.13 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3h0m h LEU 10 Cb 0.17 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 3h0m h LEU 10 CO -0.01 0.95 0.04 -0.09 -1.08 0.00 0.00 178.44 178.25 3h0m h ARG 11 N 0.67 0.09 -0.75 1.13 2.43 -0.84 -0.96 114.38 116.16 3h0m h ARG 11 Ca 0.12 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3h0m h ARG 11 Cb 0.55 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3h0m h ARG 11 CO 0.03 0.09 0.45 1.49 -1.51 0.00 0.00 179.97 180.52 3h0m h GLU 12 N 0.07 0.83 -0.35 0.20 4.81 -1.46 0.15 114.58 118.83 3h0m h GLU 12 Ca 0.03 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3h0m h GLU 12 Cb 0.02 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3h0m h GLU 12 CO -0.01 0.55 0.01 -0.07 -0.73 0.00 0.00 179.01 178.77 3h0m h LEU 13 N 0.85 0.51 0.19 1.64 4.07 -1.29 -2.67 115.31 118.60 3h0m h LEU 13 Ca 0.32 -0.09 -0.31 0.00 0.08 0.00 0.00 57.88 57.88 3h0m h LEU 13 Cb 0.12 -0.13 0.02 0.00 1.08 0.00 0.00 40.66 41.75 3h0m h LEU 13 CO -0.15 0.57 -1.36 -0.07 -1.08 0.00 0.00 178.44 176.34 3h0m h LEU 14 N 0.52 0.66 -0.82 1.67 3.38 -0.28 -1.10 115.31 119.34 3h0m h LEU 14 Ca 0.11 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 3h0m h LEU 14 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3h0m h LEU 14 CO 0.01 1.54 -0.31 0.50 0.09 0.00 0.00 178.44 180.27 3h0m h LYS 15 N 0.12 0.53 -0.64 1.13 3.64 -0.73 -2.71 116.57 117.91 3h0m h LYS 15 Ca -0.20 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3h0m h LYS 15 Cb 2.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 3h0m h LYS 15 CO 0.24 0.78 0.00 0.54 -2.27 0.00 0.00 179.45 178.74 3h0m n ARG 16 N -4.08 3.76 -0.49 1.90 1.74 -1.01 -4.95 116.66 113.52 3h0m n ARG 16 Ca -0.01 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 3h0m n ARG 16 Cb 0.45 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.88 0.48 0.42 -0.13 0.00 -1.02 -4.78 105.19 101.04 3h0m n GLY 17 Ca 0.23 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.49 3h0m n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0m h GLU 18 N 0.88 0.00 -4.43 1.61 5.08 -1.51 -3.41 114.58 112.80 3h0m h GLU 18 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3h0m h GLU 18 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3h0m h GLU 18 CO 0.00 0.00 -0.69 0.54 -1.00 0.00 0.00 179.01 177.86 3h0m s VAL 19 N -4.92 0.44 0.22 3.13 0.11 -0.79 -5.02 120.40 113.57 3h0m s VAL 19 Ca -0.05 -1.87 0.08 0.00 -2.93 0.00 0.00 61.98 57.22 3h0m s VAL 19 Cb 0.19 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 3h0m s VAL 19 CO 0.71 -0.93 0.00 -0.94 -3.33 0.00 0.00 175.10 170.61 3h0m s SER 20 N -2.98 4.68 0.33 3.54 1.04 -1.26 -4.42 113.70 114.63 3h0m s SER 20 Ca 0.10 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 56.09 3h0m s SER 20 Cb 0.07 -0.94 0.76 0.00 0.10 0.00 0.00 66.02 66.00 3h0m s SER 20 CO -0.07 0.04 1.83 -0.65 0.98 0.00 0.00 173.24 175.37 3h0m h PRO 21 N 2.29 0.74 -0.77 4.02 0.11 -1.89 -1.68 132.00 134.82 3h0m h PRO 21 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3h0m h PRO 21 Cb 1.23 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3h0m h PRO 21 CO 0.59 0.49 0.44 -0.22 -0.21 0.00 0.00 178.00 179.08 3h0m h LYS 22 N 0.76 1.07 -0.15 1.05 3.64 -1.90 -1.69 116.57 119.35 3h0m h LYS 22 Ca 0.51 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 3h0m h LYS 22 Cb 0.78 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3h0m h LYS 22 CO -0.28 0.78 0.04 0.93 -2.27 0.00 0.00 179.45 178.65 3h0m h GLU 23 N 1.06 0.24 -0.32 1.90 5.08 -1.73 -0.10 114.58 120.72 3h0m h GLU 23 Ca 0.27 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 3h0m h GLU 23 Cb 0.01 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 3h0m h GLU 23 CO -0.05 0.38 -0.19 0.28 -1.00 0.00 0.00 179.01 178.43 3h0m h VAL 24 N 0.06 0.45 -0.58 3.13 2.07 -1.26 0.34 116.25 120.46 3h0m h VAL 24 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3h0m h VAL 24 Cb 0.24 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3h0m h VAL 24 CO -0.00 0.00 0.37 0.58 0.02 0.00 0.00 177.57 178.54 3h0m h VAL 25 N -0.16 1.12 -0.64 2.57 2.07 -1.17 -2.37 116.25 117.68 3h0m h VAL 25 Ca 0.16 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3h0m h VAL 25 Cb 0.41 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3h0m h VAL 25 CO -0.41 0.14 0.40 -0.33 0.02 0.00 0.00 177.57 177.38 3h0m h GLU 26 N 0.76 0.76 0.13 1.57 5.08 0.02 0.14 114.58 123.03 3h0m h GLU 26 Ca 0.22 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3h0m h GLU 26 Cb -0.05 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 3h0m h GLU 26 CO -0.07 0.50 -0.43 1.03 -1.00 0.00 0.00 179.01 179.04 3h0m h SER 27 N 0.78 -1.28 0.12 1.42 0.87 0.07 -0.30 113.55 115.23 3h0m h SER 27 Ca 0.26 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3h0m h SER 27 Cb 0.02 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3h0m h SER 27 CO -0.10 -0.50 -0.28 -0.26 -0.53 0.00 0.00 176.83 175.15 3h0m h PHE 28 N -0.68 0.29 -0.39 2.24 0.04 -1.27 -2.32 116.94 114.86 3h0m h PHE 28 Ca 0.02 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.76 3h0m h PHE 28 Cb 0.70 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 3h0m h PHE 28 CO -0.37 0.53 0.18 -0.92 -0.60 0.00 0.00 178.31 177.12 3h0m h TYR 29 N 0.23 0.32 -0.16 -0.55 5.03 -0.28 0.40 116.97 121.97 3h0m h TYR 29 Ca 0.03 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3h0m h TYR 29 Cb 0.62 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 3h0m h TYR 29 CO 0.01 0.16 0.07 -0.44 -1.32 0.00 0.00 178.16 176.64 3h0m h ASP 30 N 0.36 0.22 -0.82 -2.11 3.32 -0.63 0.17 116.42 116.92 3h0m h ASP 30 Ca 0.17 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3h0m h ASP 30 Cb 0.10 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3h0m h ASP 30 CO -0.14 0.31 0.54 -0.09 -1.72 0.00 0.00 179.24 178.14 3h0m h ARG 31 N 0.11 0.84 0.01 3.56 9.65 -1.18 0.54 114.38 127.91 3h0m h ARG 31 Ca 0.05 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3h0m h ARG 31 Cb 0.15 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3h0m h ARG 31 CO -0.01 0.56 -0.08 -0.92 2.80 0.00 0.00 179.97 182.32 3h0m h TYR 32 N 0.87 -0.21 -0.54 2.20 3.20 0.34 -2.08 116.97 120.74 3h0m h TYR 32 Ca 0.36 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 3h0m h TYR 32 Cb 0.29 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3h0m h TYR 32 CO -0.00 -0.13 0.21 -0.91 -1.64 0.00 0.00 178.16 175.69 3h0m h ASN 33 N -0.15 0.71 -0.71 -2.11 2.35 0.21 0.30 115.58 116.19 3h0m h ASN 33 Ca 0.03 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3h0m h ASN 33 Cb 0.19 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 3h0m h ASN 33 CO -0.08 0.65 0.44 1.56 -1.65 0.00 0.00 177.43 178.35 3h0m h GLN 34 N 0.77 0.81 0.00 0.81 4.20 0.07 -3.39 115.11 118.39 3h0m h GLN 34 Ca 0.18 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.60 3h0m h GLN 34 Cb 0.16 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3h0m h GLN 34 CO -0.02 0.54 -1.93 2.41 -0.67 0.00 0.00 178.83 179.16 3h0m n THR 35 N -4.68 0.94 -0.23 -0.54 -1.04 -0.80 -4.71 114.28 103.22 3h0m n THR 35 Ca 0.08 -0.44 0.11 0.00 -2.04 0.00 0.00 64.05 61.76 3h0m n THR 35 Cb 0.11 -0.92 0.40 0.00 -1.82 0.00 0.00 70.33 68.10 3h0m n THR 35 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h0m h GLU 36 N 0.00 0.63 0.00 -2.82 4.57 -0.62 -0.64 114.58 115.71 3h0m h GLU 36 Ca -0.37 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 3h0m h GLU 36 Cb 1.67 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3h0m h GLU 36 CO -0.03 0.42 -0.19 1.49 -1.18 0.00 0.00 179.01 179.52 3h0m h GLU 37 N 0.65 0.00 0.00 1.92 4.81 -1.84 0.13 114.58 120.25 3h0m h GLU 37 Ca 0.41 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3h0m h GLU 37 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3h0m h GLU 37 CO -0.17 0.19 -0.49 0.87 -0.73 0.00 0.00 179.01 178.68 3h0m h LYS 38 N 0.00 0.00 0.28 1.92 1.57 -1.48 -3.43 116.57 115.43 3h0m h LYS 38 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3h0m h LYS 38 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3h0m h LYS 38 CO 0.02 0.87 -0.13 0.28 -0.57 0.00 0.00 179.45 179.92 3h0m h VAL 39 N -1.00 0.26 -4.11 0.50 2.07 -1.15 -3.42 116.25 109.41 3h0m h VAL 39 Ca -0.13 -0.82 -0.19 0.00 0.82 0.00 0.00 66.70 66.38 3h0m h VAL 39 Cb 1.01 0.44 0.10 0.00 -1.52 0.00 0.00 31.29 31.32 3h0m h VAL 39 CO -0.08 0.07 -0.44 0.29 0.02 0.00 0.00 177.57 177.43 3h0m n LYS 40 N -5.03 -3.67 -0.04 1.57 5.02 0.43 -0.96 118.16 115.49 3h0m n LYS 40 Ca -0.06 0.49 -0.08 0.00 -2.02 0.00 0.00 58.31 56.64 3h0m n LYS 40 Cb 0.20 -4.41 0.10 0.00 -0.02 0.00 0.00 35.03 30.90 3h0m n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0m h ALA 41 N 0.49 0.85 -3.09 7.82 0.00 -1.87 -3.38 119.26 120.07 3h0m h ALA 41 Ca -0.34 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.52 3h0m h ALA 41 Cb 1.19 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3h0m h ALA 41 CO 0.28 0.64 -0.57 0.71 0.00 0.00 0.00 179.25 180.31 3h0m s TYR 42 N -4.38 3.30 -0.20 0.00 1.51 -1.26 0.87 117.35 117.18 3h0m s TYR 42 Ca -0.08 0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 55.98 3h0m s TYR 42 Cb 0.12 -1.68 -0.20 0.00 -0.11 0.00 0.00 41.96 40.09 3h0m s TYR 42 CO 0.83 0.55 0.15 -0.89 -1.11 0.00 0.00 175.55 175.07 3h0m n ILE 43 N 0.58 1.60 -3.71 2.71 5.41 0.34 -4.67 119.36 121.62 3h0m n ILE 43 Ca -0.09 -0.29 -0.29 0.00 1.00 0.00 0.00 62.75 63.09 3h0m n ILE 43 Cb 0.52 -1.90 -0.15 0.00 -0.71 0.00 0.00 39.64 37.40 3h0m n ILE 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3h0m s THR 44 N -2.45 0.64 0.20 1.39 2.01 -0.71 -4.97 115.64 111.76 3h0m s THR 44 Ca -0.29 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.37 3h0m s THR 44 Cb 0.08 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 3h0m s THR 44 CO 0.63 -0.53 1.08 -2.84 -0.69 0.00 0.00 174.62 172.27 3h0m s PRO 45 N 1.76 4.63 -0.08 4.92 0.02 -1.26 0.72 135.00 145.71 3h0m s PRO 45 Ca 0.06 1.71 0.18 0.00 0.02 0.00 0.00 61.00 62.96 3h0m s PRO 45 Cb -0.17 -3.26 0.37 0.00 0.02 0.00 0.00 34.50 31.46 3h0m s PRO 45 CO -0.21 0.15 1.17 1.28 -0.33 0.00 0.00 177.00 179.06 3h0m n LEU 46 N 2.03 1.60 -0.22 -5.54 4.77 0.33 -4.77 117.00 115.19 3h0m n LEU 46 Ca 0.01 -2.65 -0.03 0.00 -0.03 0.00 0.00 56.01 53.31 3h0m n LEU 46 Cb 0.46 -0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 3h0m n LEU 46 CO 0.53 0.81 1.09 1.88 -1.33 0.00 0.00 177.39 180.38 3h0m h TYR 47 N 0.82 1.03 -0.19 -1.77 -1.99 -1.82 0.11 116.97 113.15 3h0m h TYR 47 Ca -0.11 -0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.63 3h0m h TYR 47 Cb 1.46 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 39.81 3h0m h TYR 47 CO 0.36 0.76 -0.26 0.78 -0.00 0.00 0.00 178.16 179.80 3h0m h GLY 48 N 1.08 -0.24 1.81 3.88 0.00 -1.91 0.24 103.07 107.92 3h0m h GLY 48 Ca 0.25 0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.77 3h0m h GLY 48 CO -0.03 -0.20 -0.52 1.70 0.00 0.00 0.00 176.54 177.49 3h0m h LYS 49 N -0.29 0.20 -0.54 4.80 3.64 -1.78 -2.94 116.57 119.67 3h0m h LYS 49 Ca 0.12 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3h0m h LYS 49 Cb 0.48 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3h0m h LYS 49 CO -0.36 0.68 -0.11 0.00 -2.27 0.00 0.00 179.45 177.38 3h0m h ALA 50 N 1.30 0.74 -0.53 5.00 0.00 -0.41 -1.37 119.26 123.99 3h0m h ALA 50 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.67 3h0m h ALA 50 Cb 0.97 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 3h0m h ALA 50 CO 0.08 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.71 3h0m h LEU 51 N 0.90 -0.73 -0.51 0.00 4.07 -0.36 0.11 115.31 118.79 3h0m h LEU 51 Ca 0.14 0.18 -0.10 0.00 0.08 0.00 0.00 57.88 58.18 3h0m h LEU 51 Cb 0.68 0.41 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 3h0m h LEU 51 CO 0.05 -0.24 -0.06 0.11 -1.08 0.00 0.00 178.44 177.22 3h0m h LYS 52 N -0.08 0.94 -0.07 1.13 1.57 -1.38 -2.93 116.57 115.75 3h0m h LYS 52 Ca 0.25 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3h0m h LYS 52 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3h0m h LYS 52 CO -0.59 0.99 -0.04 1.96 -0.57 0.00 0.00 179.45 181.20 3h0m h GLN 53 N 0.80 0.10 -0.22 3.15 4.20 -0.72 -2.73 115.11 119.70 3h0m h GLN 53 Ca 0.14 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3h0m h GLN 53 Cb 0.61 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3h0m h GLN 53 CO 0.04 0.16 -0.26 0.00 -0.67 0.00 0.00 178.83 178.10 3h0m h ALA 54 N 1.86 1.15 -0.94 3.87 0.00 -0.60 -3.05 119.26 121.54 3h0m h ALA 54 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3h0m h ALA 54 Cb 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3h0m h ALA 54 CO 0.01 0.54 0.62 0.93 0.00 0.00 0.00 179.25 181.34 3h0m h GLU 55 N 0.37 1.13 -0.01 0.00 5.08 -1.48 -1.92 114.58 117.74 3h0m h GLU 55 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h0m h GLU 55 Cb 0.66 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3h0m h GLU 55 CO 0.05 0.75 -0.08 -1.13 -1.00 0.00 0.00 179.01 177.60 3h0m n SER 56 N -4.45 1.28 -4.65 1.42 3.41 -1.16 -4.83 113.62 104.63 3h0m n SER 56 Ca 0.13 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 3h0m n SER 56 Cb 0.11 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3h0m n SER 56 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h0m s LEU 57 N -2.17 4.05 0.00 1.04 0.20 -0.72 -4.89 118.68 116.19 3h0m s LEU 57 Ca 0.34 1.29 0.00 0.00 0.69 0.00 0.00 54.13 56.45 3h0m s LEU 57 Cb 0.20 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.42 3h0m s LEU 57 CO 0.40 -0.74 0.00 0.29 -0.29 0.00 0.00 176.35 176.01 3h0m n LYS 58 N 6.50 0.00 -2.02 1.98 5.02 -1.26 -4.95 118.16 123.42 3h0m n LYS 58 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 3h0m n LYS 58 Cb 0.46 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.87 3h0m n LYS 58 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h0m s GLU 59 N -1.78 3.21 0.40 1.97 2.12 -1.26 -4.86 118.70 118.50 3h0m s GLU 59 Ca 0.00 1.25 0.21 0.00 0.36 0.00 0.00 54.97 56.79 3h0m s GLU 59 Cb 0.00 -4.22 0.68 0.00 0.26 0.00 0.00 34.13 30.85 3h0m s GLU 59 CO 0.00 -2.01 1.72 0.00 -0.54 0.00 0.00 175.26 174.43 3h0m h ARG 60 N 13.19 0.00 0.00 4.30 3.08 -1.95 -3.19 114.38 129.81 3h0m h ARG 60 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3h0m h ARG 60 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3h0m h ARG 60 CO 1.07 0.29 0.00 -1.91 -1.07 0.00 0.00 179.97 178.35 3h0m n GLU 61 N -3.36 0.45 -1.72 0.04 2.13 -1.26 -4.64 120.64 112.29 3h0m n GLU 61 Ca 0.01 0.04 -0.42 0.00 0.66 0.00 0.00 57.16 57.44 3h0m n GLU 61 Cb 0.51 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.69 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 -1.22 3.94 -0.33 4.31 4.32 -1.21 -4.87 117.00 121.94 3h0m n LEU 62 Ca 0.13 1.07 0.27 0.00 -0.02 0.00 0.00 56.01 57.47 3h0m n LEU 62 Cb 0.17 -1.56 0.59 0.00 -1.62 0.00 0.00 43.42 40.99 3h0m n LEU 62 CO 0.18 0.13 1.25 -0.65 -1.22 0.00 0.00 177.39 177.07 3h0m h PRO 63 N 6.47 0.25 -0.33 3.23 0.11 -1.87 0.89 132.00 140.76 3h0m h PRO 63 Ca -0.44 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 3h0m h PRO 63 Cb 1.21 -0.06 -0.17 0.00 0.11 0.00 0.00 31.00 32.09 3h0m h PRO 63 CO 0.93 0.17 -0.53 1.28 -0.21 0.00 0.00 178.00 179.64 3h0m n LEU 64 N -4.51 3.78 -0.20 2.35 4.77 0.39 -4.98 117.00 118.59 3h0m n LEU 64 Ca 0.26 -4.20 -0.05 0.00 -0.03 0.00 0.00 56.01 51.99 3h0m n LEU 64 Cb 1.02 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3h0m n LEU 64 CO 0.29 1.64 0.24 0.33 -1.33 0.00 0.00 177.39 178.56 3h0m n PHE 65 N -0.97 -0.20 -1.03 -1.77 7.35 0.31 -1.36 117.46 119.78 3h0m n PHE 65 Ca 0.31 0.61 0.09 0.00 -0.76 0.00 0.00 57.45 57.70 3h0m n PHE 65 Cb 0.83 -0.55 0.17 0.00 0.35 0.00 0.00 39.48 40.29 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 -1.13 4.62 3.66 7.13 0.00 -1.26 -4.35 105.19 113.86 3h0m n GLY 66 Ca 0.01 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.84 4.83 0.53 -0.61 -1.09 -0.46 -4.77 121.20 116.80 3h0m s ILE 67 Ca 0.35 1.67 -0.21 0.00 -2.23 0.00 0.00 60.65 60.23 3h0m s ILE 67 Cb 0.29 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3h0m s ILE 67 CO 0.05 -0.04 1.20 -2.84 -1.23 0.00 0.00 174.94 172.08 3h0m s PRO 68 N 2.57 3.33 -0.18 2.79 0.02 -1.26 -0.23 135.00 142.03 3h0m s PRO 68 Ca 0.38 1.83 -0.09 0.00 0.02 0.00 0.00 61.00 63.15 3h0m s PRO 68 Cb -0.16 -2.15 0.07 0.00 0.02 0.00 0.00 34.50 32.28 3h0m s PRO 68 CO 0.10 -0.92 0.42 -1.50 -0.33 0.00 0.00 177.00 174.76 3h0m s ILE 69 N -1.56 -0.24 0.52 2.83 2.07 -0.59 -4.41 121.20 119.82 3h0m s ILE 69 Ca 0.71 0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.96 3h0m s ILE 69 Cb -0.30 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 3h0m s ILE 69 CO 0.35 0.05 0.91 0.00 -1.91 0.00 0.00 174.94 174.34 3h0m s ALA 70 N 1.84 3.21 -0.02 1.50 0.00 -1.13 -1.82 121.76 125.34 3h0m s ALA 70 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 3h0m s ALA 70 Cb -0.10 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3h0m s ALA 70 CO -0.13 -0.39 0.05 0.08 0.00 0.00 0.00 175.76 175.37 3h0m s VAL 71 N -2.81 -0.04 0.44 0.00 1.01 -0.79 -1.77 120.40 116.44 3h0m s VAL 71 Ca 0.53 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 3h0m s VAL 71 Cb -0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 3h0m s VAL 71 CO 0.43 0.06 1.41 -0.75 0.00 0.00 0.00 175.10 176.25 3h0m s LYS 72 N 0.76 3.74 -0.15 2.72 2.20 -0.96 -0.25 119.74 127.80 3h0m s LYS 72 Ca -0.06 2.38 0.01 0.00 -0.36 0.00 0.00 55.97 57.94 3h0m s LYS 72 Cb -0.09 -2.68 0.20 0.00 -1.51 0.00 0.00 37.83 33.76 3h0m s LYS 72 CO -0.02 -0.76 1.35 -3.47 -0.36 0.00 0.00 175.35 172.08 3h0m n ASP 73 N -0.13 3.46 -0.21 1.43 -0.08 -1.01 -1.88 116.55 118.13 3h0m n ASP 73 Ca 0.05 -2.53 0.02 0.00 -1.51 0.00 0.00 54.79 50.82 3h0m n ASP 73 Cb 0.42 -0.64 0.05 0.00 2.34 0.00 0.00 41.12 43.28 3h0m n ASP 73 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 3h0m n ASN 74 N 0.04 2.12 -4.51 1.67 0.23 -1.26 -0.12 115.26 113.43 3h0m n ASN 74 Ca 0.19 -1.83 -0.35 0.00 -0.53 0.00 0.00 54.58 52.05 3h0m n ASN 74 Cb 0.84 -0.06 -0.12 0.00 -2.08 0.00 0.00 39.78 38.36 3h0m n ASN 74 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3h0m s ILE 75 N -0.87 4.27 -0.03 1.53 1.01 -0.79 -0.45 121.20 125.88 3h0m s ILE 75 Ca 0.07 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 3h0m s ILE 75 Cb 0.04 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3h0m s ILE 75 CO 0.05 0.43 1.15 -0.76 0.00 0.00 0.00 174.94 175.82 3h0m s LEU 76 N 0.82 4.31 -0.18 2.97 1.02 -0.44 -4.90 118.68 122.26 3h0m s LEU 76 Ca 0.02 1.81 -0.01 0.00 0.02 0.00 0.00 54.13 55.97 3h0m s LEU 76 Cb -0.14 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.51 3h0m s LEU 76 CO 0.02 -0.50 -0.14 -0.69 0.02 0.00 0.00 176.35 175.05 3h0m s VAL 77 N 1.78 2.59 0.24 -1.59 1.01 -1.26 -1.28 120.40 121.89 3h0m s VAL 77 Ca 0.55 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3h0m s VAL 77 Cb -0.25 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 3h0m s VAL 77 CO 0.24 0.50 1.28 -0.70 0.00 0.00 0.00 175.10 176.42 3h0m s GLU 78 N 1.21 4.41 0.00 2.72 2.12 -1.24 -2.50 118.70 125.43 3h0m s GLU 78 Ca 0.02 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.41 3h0m s GLU 78 Cb -0.14 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3h0m s GLU 78 CO -0.07 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 3h0m n GLY 79 N 1.84 2.58 3.53 -1.50 0.00 0.13 -4.96 105.19 106.80 3h0m n GLY 79 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3h0m n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0m s GLU 80 N -0.65 1.90 0.33 1.61 0.41 -1.04 -4.80 118.70 116.46 3h0m s GLU 80 Ca 0.00 -1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 52.88 3h0m s GLU 80 Cb 0.00 -2.04 -0.12 0.00 -1.78 0.00 0.00 34.13 30.19 3h0m s GLU 80 CO 0.00 0.41 1.51 1.63 -0.49 0.00 0.00 175.26 178.32 3h0m n LYS 81 N -0.03 2.59 -4.03 1.61 5.02 -1.26 -2.02 118.16 120.04 3h0m n LYS 81 Ca -0.10 0.92 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 3h0m n LYS 81 Cb 0.56 -2.65 -0.15 0.00 -0.02 0.00 0.00 35.03 32.77 3h0m n LYS 81 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h0m s THR 82 N -0.59 1.98 -0.11 -0.18 2.01 -0.65 -4.86 115.64 113.24 3h0m s THR 82 Ca 0.59 -1.50 0.20 0.00 0.31 0.00 0.00 61.69 61.28 3h0m s THR 82 Cb -0.50 -2.13 -0.26 0.00 0.01 0.00 0.00 72.50 69.61 3h0m s THR 82 CO 0.57 -0.04 0.41 0.35 -0.69 0.00 0.00 174.62 175.22 3h0m n THR 83 N 4.50 0.71 -2.06 -0.82 -2.24 -1.23 -4.61 114.28 108.54 3h0m n THR 83 Ca -0.14 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 60.90 3h0m n THR 83 Cb 0.43 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3h0m n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0m n ALA 85 N -1.53 -1.26 -2.36 0.00 0.00 -1.26 -0.95 120.51 113.15 3h0m n ALA 85 Ca -0.10 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 3h0m n ALA 85 Cb 0.48 -4.27 -0.15 0.00 0.00 0.00 0.00 19.45 15.52 3h0m n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0m s SER 86 N -3.26 3.26 0.34 0.00 0.15 0.10 -1.67 113.70 112.61 3h0m s SER 86 Ca 0.67 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.78 3h0m s SER 86 Cb -0.34 -0.35 0.59 0.00 -1.71 0.00 0.00 66.02 64.21 3h0m s SER 86 CO 0.83 0.27 2.00 0.11 1.20 0.00 0.00 173.24 177.65 3h0m h LYS 87 N 4.83 0.89 0.00 5.44 1.79 -1.84 -1.57 116.57 126.11 3h0m h LYS 87 Ca -0.46 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 3h0m h LYS 87 Cb 1.14 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3h0m h LYS 87 CO 0.44 0.59 0.00 1.51 -1.08 0.00 0.00 179.45 180.92 3h0m n ILE 88 N -4.43 0.91 -0.99 1.86 3.06 -0.80 -2.66 119.36 116.31 3h0m n ILE 88 Ca 0.07 0.23 0.02 0.00 -2.50 0.00 0.00 62.75 60.58 3h0m n ILE 88 Cb 0.04 -1.04 0.03 0.00 0.54 0.00 0.00 39.64 39.21 3h0m n ILE 88 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3h0m n LEU 89 N -1.76 1.10 -4.76 9.51 4.32 -1.02 -1.54 117.00 122.84 3h0m n LEU 89 Ca 0.03 -1.52 -0.40 0.00 -0.02 0.00 0.00 56.01 54.10 3h0m n LEU 89 Cb 0.20 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.85 3h0m n LEU 89 CO 0.16 0.36 0.81 -1.83 -1.22 0.00 0.00 177.39 175.68 3h0m s GLU 90 N -0.97 4.51 0.00 3.23 -1.05 -0.62 -2.46 118.70 121.33 3h0m s GLU 90 Ca 0.08 1.83 0.00 0.00 -0.15 0.00 0.00 54.97 56.73 3h0m s GLU 90 Cb 0.07 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 3h0m s GLU 90 CO 0.01 0.08 0.00 0.09 0.95 0.00 0.00 175.26 176.39 3h0m n ASN 91 N 0.92 -0.26 -4.62 0.83 3.02 -1.26 -4.67 115.26 109.22 3h0m n ASN 91 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3h0m n ASN 91 Cb 0.45 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 3h0m n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3h0m s PHE 92 N -3.37 2.61 -0.20 3.10 5.36 -1.03 -4.90 117.98 119.55 3h0m s PHE 92 Ca 0.00 0.79 -0.20 0.00 -0.96 0.00 0.00 56.93 56.56 3h0m s PHE 92 Cb 0.00 -4.11 -0.03 0.00 -0.34 0.00 0.00 43.02 38.54 3h0m s PHE 92 CO 0.00 -1.74 0.58 0.08 -1.46 0.00 0.00 175.22 172.68 3h0m s VAL 93 N 4.75 5.06 -0.02 3.12 1.01 -1.26 -1.64 120.40 131.42 3h0m s VAL 93 Ca 0.57 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 3h0m s VAL 93 Cb -0.14 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3h0m s VAL 93 CO 0.27 0.14 1.48 0.00 0.00 0.00 0.00 175.10 176.99 3h0m s ALA 94 N 1.81 3.61 -1.30 5.51 0.00 -0.86 -4.87 121.76 125.67 3h0m s ALA 94 Ca 0.26 0.90 0.30 0.00 0.00 0.00 0.00 51.96 53.42 3h0m s ALA 94 Cb -0.16 -3.65 1.44 0.00 0.00 0.00 0.00 23.12 20.75 3h0m s ALA 94 CO 0.10 -1.07 2.02 -2.30 0.00 0.00 0.00 175.76 174.50 3h0m n PRO 95 N 5.91 0.30 -3.55 0.00 -0.02 -1.26 -0.69 135.00 135.69 3h0m n PRO 95 Ca 0.14 -0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3h0m n PRO 95 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.70 -0.36 0.05 6.00 1.13 -1.26 -4.94 117.35 115.27 3h0m s TYR 96 Ca 0.24 0.09 -0.28 0.00 -1.41 0.00 0.00 57.07 55.71 3h0m s TYR 96 Cb 0.20 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.47 3h0m s TYR 96 CO 0.48 -0.84 0.88 -0.51 -2.51 0.00 0.00 175.55 173.05 3h0m s ASP 97 N -2.79 7.34 0.60 -0.18 1.01 -1.26 -3.59 116.67 117.79 3h0m s ASP 97 Ca 0.03 1.60 -0.19 0.00 0.71 0.00 0.00 52.55 54.71 3h0m s ASP 97 Cb -0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3h0m s ASP 97 CO -0.10 -0.08 0.97 0.00 0.21 0.00 0.00 175.17 176.17 3h0m n ALA 98 N 3.11 0.20 -0.25 5.23 0.00 -0.40 -4.82 120.51 123.57 3h0m n ALA 98 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.50 3h0m n ALA 98 Cb 0.50 -2.11 0.26 0.00 0.00 0.00 0.00 19.45 18.10 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 0.52 1.10 -0.68 0.00 2.02 -1.25 -2.01 112.91 112.61 3h0m h THR 99 Ca -0.48 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3h0m h THR 99 Cb 1.36 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3h0m h THR 99 CO 0.51 0.18 0.32 -0.37 0.37 0.00 0.00 175.52 176.53 3h0m h VAL 100 N 0.98 1.23 -0.45 3.16 -1.51 -1.87 -1.58 116.25 116.21 3h0m h VAL 100 Ca 0.34 -0.66 -0.10 0.00 -1.23 0.00 0.00 66.70 65.06 3h0m h VAL 100 Cb 0.11 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 29.66 3h0m h VAL 100 CO -0.11 0.27 -0.11 0.40 -1.23 0.00 0.00 177.57 176.79 3h0m h ILE 101 N 0.95 1.26 -0.52 7.19 1.08 -1.71 0.14 117.51 125.90 3h0m h ILE 101 Ca 0.23 -1.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3h0m h ILE 101 Cb 0.13 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 3h0m h ILE 101 CO -0.03 0.41 0.23 -0.08 -0.69 0.00 0.00 178.15 177.99 3h0m h GLU 102 N 0.74 0.43 -0.02 2.37 4.81 -1.17 -0.24 114.58 121.49 3h0m h GLU 102 Ca 0.12 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 3h0m h GLU 102 Cb 0.60 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3h0m h GLU 102 CO 0.04 0.28 -0.87 0.00 -0.73 0.00 0.00 179.01 177.73 3h0m h ARG 103 N 0.44 0.37 -0.17 1.92 3.08 -0.63 -1.79 114.38 117.60 3h0m h ARG 103 Ca 0.24 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3h0m h ARG 103 Cb 0.21 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3h0m h ARG 103 CO -0.21 1.04 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.63 3h0m h LEU 104 N 0.22 0.32 -0.81 3.04 3.38 -0.64 -2.38 115.31 118.45 3h0m h LEU 104 Ca -0.06 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.65 3h0m h LEU 104 Cb 1.48 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 3h0m h LEU 104 CO 0.15 0.60 0.45 0.11 0.09 0.00 0.00 178.44 179.84 3h0m h LYS 105 N 0.03 0.73 0.00 1.13 1.57 -1.02 0.19 116.57 119.21 3h0m h LYS 105 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3h0m h LYS 105 Cb 0.46 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h0m h LYS 105 CO 0.01 0.49 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.11 3h0m h LYS 106 N 0.76 0.00 -0.05 3.15 3.64 -1.27 -2.26 116.57 120.54 3h0m h LYS 106 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3h0m h LYS 106 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3h0m h LYS 106 CO -0.26 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 176.98 3h0m n ALA 107 N -2.14 2.55 -0.27 5.00 0.00 0.58 -4.93 120.51 121.30 3h0m n ALA 107 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3h0m n ALA 107 Cb 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.20 0.86 3.63 0.00 0.00 -0.85 -0.46 105.19 109.57 3h0m n GLY 108 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.68 0.97 -0.19 4.61 0.00 -0.77 -4.18 121.76 119.54 3h0m s ALA 109 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 3h0m s ALA 109 Cb 0.00 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.79 3h0m s ALA 109 CO 0.00 -3.00 -0.05 -0.51 0.00 0.00 0.00 175.76 172.20 3h0m s LEU 110 N -6.73 1.84 -0.19 0.00 1.43 0.68 -4.60 118.68 111.10 3h0m s LEU 110 Ca 0.67 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 3h0m s LEU 110 Cb -0.23 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3h0m s LEU 110 CO 0.60 -0.20 1.47 -0.63 0.23 0.00 0.00 176.35 177.81 3h0m s ILE 111 N 1.58 3.91 -2.23 -0.59 1.09 -1.26 -1.53 121.20 122.16 3h0m s ILE 111 Ca -0.01 1.06 0.20 0.00 -1.10 0.00 0.00 60.65 60.80 3h0m s ILE 111 Cb -0.16 -3.83 0.27 0.00 -1.06 0.00 0.00 42.46 37.68 3h0m s ILE 111 CO -0.07 -0.25 1.22 1.33 -0.10 0.00 0.00 174.94 177.06 3h0m n VAL 112 N 5.95 0.29 0.00 2.92 0.24 -0.76 -4.57 118.33 122.40 3h0m n VAL 112 Ca 0.16 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3h0m n VAL 112 Cb 0.45 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 3h0m n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h0m n GLY 113 N 1.17 2.04 3.46 7.63 0.00 -1.26 -0.52 105.19 117.71 3h0m n GLY 113 Ca 0.14 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 3.65 0.06 1.61 -0.14 0.22 -1.89 119.74 121.25 3h0m s LYS 114 Ca 0.00 -0.50 -0.14 0.00 -1.36 0.00 0.00 55.97 53.98 3h0m s LYS 114 Cb 0.00 -3.16 -0.06 0.00 -1.68 0.00 0.00 37.83 32.93 3h0m s LYS 114 CO 0.00 -0.03 0.45 0.99 -0.76 0.00 0.00 175.35 176.00 3h0m s THR 115 N 1.15 4.97 0.74 2.17 2.01 0.65 0.13 115.64 127.45 3h0m s THR 115 Ca 0.03 0.78 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 3h0m s THR 115 Cb -0.14 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.68 3h0m s THR 115 CO 0.02 0.43 1.11 0.21 -0.69 0.00 0.00 174.62 175.70 3h0m s ASN 116 N -1.39 4.61 0.23 3.53 2.47 0.25 -2.42 114.94 122.23 3h0m s ASN 116 Ca 0.30 1.95 -0.21 0.00 0.42 0.00 0.00 52.86 55.32 3h0m s ASN 116 Cb -0.16 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 3h0m s ASN 116 CO 0.16 -1.96 0.64 -1.48 -3.72 0.00 0.00 177.10 170.74 3h0m s LEU 117 N -5.51 -0.26 0.52 3.21 2.34 -1.26 -2.47 118.68 115.26 3h0m s LEU 117 Ca 0.65 -0.44 -0.21 0.00 0.06 0.00 0.00 54.13 54.18 3h0m s LEU 117 Cb -0.20 2.55 -0.06 0.00 -0.56 0.00 0.00 46.19 47.93 3h0m s LEU 117 CO 0.50 -1.19 1.21 -1.81 -1.06 0.00 0.00 176.35 174.00 3h0m s ASP 118 N -2.87 5.68 -0.00 1.48 1.01 -1.15 -3.08 116.67 117.73 3h0m s ASP 118 Ca 0.09 2.41 -0.33 0.00 0.71 0.00 0.00 52.55 55.43 3h0m s ASP 118 Cb -0.04 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 3h0m s ASP 118 CO 0.00 -1.26 1.88 1.21 0.21 0.00 0.00 175.17 177.21 3h0m n GLU 119 N -0.98 2.47 -2.00 8.23 2.13 -0.86 -0.53 120.64 129.10 3h0m n GLU 119 Ca 0.10 0.90 -0.21 0.00 0.66 0.00 0.00 57.16 58.62 3h0m n GLU 119 Cb 0.48 -2.78 -0.05 0.00 0.27 0.00 0.00 31.44 29.36 3h0m n GLU 119 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3h0m n PHE 120 N 6.52 -0.50 -1.51 4.31 3.72 -0.13 -2.55 117.46 127.32 3h0m n PHE 120 Ca 0.21 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.51 3h0m n PHE 120 Cb 0.34 -3.70 -0.03 0.00 -0.94 0.00 0.00 39.48 35.15 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 -0.33 -0.18 -3.53 4.37 0.00 0.31 -4.81 120.51 116.34 3h0m n ALA 121 Ca -0.23 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3h0m n ALA 121 Cb 0.68 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 3h0m n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h0m s MET 122 N -3.24 2.48 0.00 0.00 -1.94 -1.06 -4.65 119.30 110.90 3h0m s MET 122 Ca 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 3h0m s MET 122 Cb 0.00 -3.91 0.00 0.00 2.01 0.00 0.00 34.83 32.93 3h0m s MET 122 CO 0.00 -1.17 0.00 0.41 -0.01 0.00 0.00 175.02 174.25 3h0m n GLY 123 N 4.90 2.33 0.22 -0.03 0.00 -1.26 -4.52 105.19 106.84 3h0m n GLY 123 Ca -0.08 -1.46 0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 2.15 0.00 1.61 7.64 -1.26 -2.29 113.62 121.47 3h0m n SER 124 Ca 0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 3h0m n SER 124 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.33 0.00 0.00 6.43 3.41 -1.22 -1.24 113.62 119.67 3h0m n SER 125 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3h0m n SER 125 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3h0m n SER 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0m n THR 126 N 0.00 0.00 0.06 6.66 -1.04 -1.15 -4.07 114.28 114.74 3h0m n THR 126 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 3h0m n THR 126 Cb 0.00 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.25 3h0m n THR 126 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h0m h GLU 127 N 2.10 0.00 -0.25 -2.82 5.08 -1.89 -1.30 114.58 115.50 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 -3.84 0.33 -1.64 4.33 4.01 -1.26 -4.75 117.16 114.33 3h0m n TYR 128 Ca 0.09 -0.16 -0.49 0.00 -0.16 0.00 0.00 57.90 57.17 3h0m n TYR 128 Cb 0.65 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.36 2.50 0.00 7.72 2.88 -0.49 -2.02 113.62 124.57 3h0m n SER 129 Ca 0.13 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 3h0m n SER 129 Cb 0.29 -1.31 0.56 0.00 -0.75 0.00 0.00 64.21 63.00 3h0m n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0m n ALA 130 N 3.35 2.14 -0.10 -1.46 0.00 -0.67 -3.94 120.51 119.83 3h0m n ALA 130 Ca 0.18 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3h0m n ALA 130 Cb 0.24 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.29 0.00 -3.61 0.00 3.72 -1.26 -4.92 117.46 110.09 3h0m n PHE 131 Ca 0.10 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.44 3h0m n PHE 131 Cb 0.18 -0.74 -0.05 0.00 -0.94 0.00 0.00 39.48 37.93 3h0m n PHE 131 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3h0m s PHE 132 N -2.39 -0.21 0.29 1.38 -0.71 -1.25 -5.16 117.98 109.93 3h0m s PHE 132 Ca -0.29 0.37 -0.29 0.00 -1.04 0.00 0.00 56.93 55.67 3h0m s PHE 132 Cb 0.11 0.47 -0.10 0.00 -1.21 0.00 0.00 43.02 42.29 3h0m s PHE 132 CO 0.37 -0.18 1.20 -1.25 -1.34 0.00 0.00 175.22 174.02 3h0m s PRO 133 N -0.96 4.50 0.29 1.99 0.04 -1.26 -4.68 135.00 134.93 3h0m s PRO 133 Ca 0.04 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 3h0m s PRO 133 Cb -0.01 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 3h0m s PRO 133 CO -0.04 0.01 0.67 0.99 0.04 0.00 0.00 177.00 178.66 3h0m s THR 134 N -0.99 4.79 0.05 1.26 2.01 -1.26 -4.83 115.64 116.66 3h0m s THR 134 Ca 0.48 0.73 0.09 0.00 0.31 0.00 0.00 61.69 63.30 3h0m s THR 134 Cb -0.35 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3h0m s THR 134 CO 0.45 -0.17 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.41 3h0m s LYS 135 N -2.98 1.78 -0.23 4.92 1.02 -0.13 -4.41 119.74 119.70 3h0m s LYS 135 Ca 0.51 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 3h0m s LYS 135 Cb -0.11 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3h0m s LYS 135 CO 0.20 0.51 1.86 1.21 -0.92 0.00 0.00 175.35 178.20 3h0m s ASN 136 N -1.31 6.01 0.03 2.83 3.84 0.66 -4.73 114.94 122.27 3h0m s ASN 136 Ca 0.12 1.70 0.02 0.00 0.21 0.00 0.00 52.86 54.91 3h0m s ASN 136 Cb -0.10 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.18 3h0m s ASN 136 CO 0.02 -1.54 1.03 -0.81 -2.79 0.00 0.00 177.10 173.01 3h0m n PRO 137 N 8.15 0.01 0.00 0.43 -0.04 -1.26 -1.10 135.00 141.19 3h0m n PRO 137 Ca 0.23 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 3h0m n PRO 137 Cb 0.45 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.54 0.05 -3.15 0.54 7.02 -1.26 -4.05 117.44 115.04 3h0m n TRP 138 Ca -0.00 0.01 0.05 0.00 -1.02 0.00 0.00 57.50 56.54 3h0m n TRP 138 Cb 0.04 -0.20 -0.01 0.00 -2.42 0.00 0.00 31.31 28.72 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 -3.50 -0.95 0.00 -0.99 2.15 -0.26 -4.92 116.67 108.20 3h0m s ASP 139 Ca 0.04 0.33 0.11 0.00 0.43 0.00 0.00 52.55 53.46 3h0m s ASP 139 Cb 0.15 1.69 0.63 0.00 -0.30 0.00 0.00 42.92 45.09 3h0m s ASP 139 CO 0.86 -0.17 1.16 0.18 -0.17 0.00 0.00 175.17 177.03 3h0m n LEU 140 N 5.36 0.00 -0.06 -1.34 4.77 -0.81 0.75 117.00 125.66 3h0m n LEU 140 Ca 0.02 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 3h0m n LEU 140 Cb 0.54 -0.11 0.61 0.00 -2.33 0.00 0.00 43.42 42.13 3h0m n LEU 140 CO -0.08 -0.07 0.88 -0.62 -1.33 0.00 0.00 177.39 176.17 3h0m n GLU 141 N -1.11 0.46 -4.32 3.23 1.02 -1.26 -4.72 120.64 113.94 3h0m n GLU 141 Ca 0.07 -0.13 -0.28 0.00 -0.02 0.00 0.00 57.16 56.81 3h0m n GLU 141 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.62 1.83 0.37 3.49 0.52 0.23 -3.24 118.95 119.53 3h0m s ARG 142 Ca 0.25 -1.27 -0.26 0.00 -0.52 0.00 0.00 55.73 53.93 3h0m s ARG 142 Cb 0.20 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.50 3h0m s ARG 142 CO 0.50 0.45 1.07 0.08 0.02 0.00 0.00 175.30 177.42 3h0m s VAL 143 N -1.44 3.61 -2.31 3.52 1.01 -0.58 -0.24 120.40 123.97 3h0m s VAL 143 Ca 0.21 1.34 0.27 0.00 0.00 0.00 0.00 61.98 63.80 3h0m s VAL 143 Cb -0.09 -3.75 0.60 0.00 0.00 0.00 0.00 36.38 33.14 3h0m s VAL 143 CO 0.12 0.11 1.80 -0.81 0.00 0.00 0.00 175.10 176.32 3h0m n PRO 144 N 0.28 1.49 0.00 2.72 -0.04 -1.26 -4.47 135.00 133.72 3h0m n PRO 144 Ca 0.03 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 3h0m n PRO 144 Cb 0.48 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.10 -3.23 3.57 0.55 0.00 -1.26 -4.39 105.19 101.53 3h0m n GLY 145 Ca 0.19 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.87 -0.42 0.14 -0.02 0.00 -0.37 -2.92 107.32 102.85 3h0m s GLY 146 Ca 0.00 0.52 0.19 0.00 0.00 0.00 0.00 44.72 45.43 3h0m s GLY 146 CO 0.00 0.16 0.96 1.48 0.00 0.00 0.00 173.10 175.71 3h0m h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.50 -3.38 113.55 116.95 3h0m h SER 147 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 3h0m h SER 147 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3h0m h SER 147 CO 0.31 0.34 0.07 -1.20 -0.87 0.00 0.00 176.83 175.48 3h0m n SER 148 N -2.83 2.03 -0.07 4.97 7.64 -0.90 -2.94 113.62 121.52 3h0m n SER 148 Ca -0.05 -1.70 -0.12 0.00 1.01 0.00 0.00 58.87 58.01 3h0m n SER 148 Cb 0.72 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 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 4.54 -0.75 2.00 0.23 0.00 -1.70 -2.60 103.07 104.79 3h0m h GLY 149 Ca 0.03 0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 3h0m h GLY 149 CO 0.18 -0.19 -0.30 -1.33 0.00 0.00 0.00 176.54 174.91 3h0m h GLY 150 N -0.43 0.00 1.99 4.60 0.00 -1.69 -1.08 103.07 106.45 3h0m h GLY 150 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 3h0m h GLY 150 CO -0.50 0.00 -0.82 1.76 0.00 0.00 0.00 176.54 176.98 3h0m h SER 151 N 0.00 0.02 0.19 0.19 0.02 -1.70 -1.76 113.55 110.51 3h0m h SER 151 Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3h0m h SER 151 Cb 0.63 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3h0m h SER 151 CO 0.04 0.83 -0.09 0.00 -1.14 0.00 0.00 176.83 176.47 3h0m h ALA 152 N 1.17 -0.25 -0.64 3.77 0.00 -1.20 -3.18 119.26 118.93 3h0m h ALA 152 Ca -0.01 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3h0m h ALA 152 Cb 1.45 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 3h0m h ALA 152 CO 0.11 -0.27 0.03 0.00 0.00 0.00 0.00 179.25 179.12 3h0m h ALA 153 N -0.70 0.67 0.00 0.00 0.00 -1.23 0.55 119.26 118.56 3h0m h ALA 153 Ca -0.03 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3h0m h ALA 153 Cb 0.41 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h0m h ALA 153 CO 0.04 -0.38 -0.48 0.66 0.00 0.00 0.00 179.25 179.09 3h0m h SER 154 N 0.14 0.00 0.70 0.00 4.64 -1.44 -0.18 113.55 117.41 3h0m h SER 154 Ca 0.34 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.48 3h0m h SER 154 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3h0m h SER 154 CO -0.53 0.48 -0.84 0.58 -0.87 0.00 0.00 176.83 175.65 3h0m h VAL 155 N 0.00 1.54 0.07 0.95 2.07 -1.19 -1.30 116.25 118.39 3h0m h VAL 155 Ca -0.00 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 3h0m h VAL 155 Cb 0.92 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3h0m h VAL 155 CO 0.06 0.78 -0.03 0.00 0.02 0.00 0.00 177.57 178.40 3h0m h ALA 156 N 1.09 -0.09 0.00 1.67 0.00 0.30 -2.95 119.26 119.29 3h0m h ALA 156 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h0m h ALA 156 Cb 1.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3h0m h ALA 156 CO 0.12 -0.42 0.00 1.33 0.00 0.00 0.00 179.25 180.28 3h0m n VAL 157 N -5.01 0.59 -2.22 0.00 0.24 -0.20 -4.42 118.33 107.32 3h0m n VAL 157 Ca -0.08 0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3h0m n VAL 157 Cb 0.17 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.92 -1.63 0.19 1.34 4.77 -0.61 -4.89 117.00 114.24 3h0m n LEU 158 Ca 0.05 0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.18 3h0m n LEU 158 Cb 0.31 -2.21 0.63 0.00 -2.33 0.00 0.00 43.42 39.81 3h0m n LEU 158 CO 0.23 -0.19 0.91 0.77 -1.33 0.00 0.00 177.39 177.78 3h0m h SER 159 N 0.00 0.00 -4.77 -1.43 4.64 -1.58 -3.42 113.55 106.99 3h0m h SER 159 Ca -0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.85 3h0m h SER 159 Cb 1.24 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.12 3h0m h SER 159 CO 0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 176.83 176.04 3h0m s ALA 160 N -3.53 -0.69 0.17 5.18 0.00 -1.02 -4.70 121.76 117.17 3h0m s ALA 160 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3h0m s ALA 160 Cb 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3h0m s ALA 160 CO 0.37 -0.23 1.39 -1.00 0.00 0.00 0.00 175.76 176.30 3h0m h PRO 161 N 4.28 0.31 -4.30 0.00 0.13 -1.82 -3.33 132.00 127.28 3h0m h PRO 161 Ca -0.29 -0.29 -0.14 0.00 -0.87 0.00 0.00 66.00 64.40 3h0m h PRO 161 Cb 1.18 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 3h0m h PRO 161 CO 0.39 0.97 -0.67 0.54 -0.23 0.00 0.00 178.00 179.00 3h0m s VAL 162 N -3.39 0.19 -0.04 1.56 0.11 -1.26 -4.30 120.40 113.27 3h0m s VAL 162 Ca -0.04 -1.84 -0.24 0.00 -2.93 0.00 0.00 61.98 56.92 3h0m s VAL 162 Cb 0.10 -1.68 0.05 0.00 -1.53 0.00 0.00 36.38 33.32 3h0m s VAL 162 CO 0.84 -0.84 0.53 -0.55 -3.33 0.00 0.00 175.10 171.75 3h0m s SER 163 N -2.96 -0.47 -0.13 3.54 0.15 -0.52 -2.82 113.70 110.49 3h0m s SER 163 Ca 0.12 0.50 -0.04 0.00 0.70 0.00 0.00 55.95 57.23 3h0m s SER 163 Cb 0.08 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 3h0m s SER 163 CO -0.06 -0.52 0.03 -0.76 1.20 0.00 0.00 173.24 173.12 3h0m s LEU 164 N -1.16 3.70 0.00 3.45 1.02 -0.73 -0.74 118.68 124.22 3h0m s LEU 164 Ca -0.11 0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.17 3h0m s LEU 164 Cb -0.02 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.30 3h0m s LEU 164 CO 0.07 0.29 0.04 0.61 0.02 0.00 0.00 176.35 177.38 3h0m n GLY 165 N 2.73 3.88 3.24 -3.19 0.00 -0.66 -2.27 105.19 108.91 3h0m n GLY 165 Ca -0.18 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.65 1.90 -0.23 1.61 1.04 -1.26 -1.22 113.70 113.89 3h0m s SER 166 Ca 0.06 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 3h0m s SER 166 Cb 0.00 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.14 3h0m s SER 166 CO 0.04 -0.19 0.04 -0.62 0.98 0.00 0.00 173.24 173.48 3h0m s ASP 167 N -2.60 3.38 -0.23 7.02 -1.08 0.11 -3.02 116.67 120.26 3h0m s ASP 167 Ca 0.10 -1.11 0.08 0.00 -0.52 0.00 0.00 52.55 51.10 3h0m s ASP 167 Cb -0.03 -0.77 -0.20 0.00 -1.46 0.00 0.00 42.92 40.46 3h0m s ASP 167 CO 0.02 -0.32 -0.12 0.41 0.52 0.00 0.00 175.17 175.68 3h0m n THR 168 N 4.93 1.43 -2.49 1.71 -1.04 -1.26 -2.06 114.28 115.50 3h0m n THR 168 Ca -0.08 -0.67 -0.02 0.00 -2.04 0.00 0.00 64.05 61.25 3h0m n THR 168 Cb 0.45 -1.06 0.03 0.00 -1.82 0.00 0.00 70.33 67.94 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 2.09 1.34 0.00 3.41 0.00 -1.26 -4.70 105.19 106.08 3h0m n GLY 169 Ca -0.41 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.48 1.59 0.04 -0.02 0.00 -1.26 -3.82 105.19 101.23 3h0m n GLY 170 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 0.35 -0.03 1.61 7.64 -1.26 -0.94 113.62 120.99 3h0m n SER 171 Ca 0.00 0.52 -0.22 0.00 1.01 0.00 0.00 58.87 60.18 3h0m n SER 171 Cb 0.00 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.46 3h0m n SER 171 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3h0m h ILE 172 N 0.00 0.76 0.02 0.44 2.04 -1.84 -2.39 117.51 116.54 3h0m h ILE 172 Ca 0.00 -2.29 -0.26 0.00 1.00 0.00 0.00 64.86 63.31 3h0m h ILE 172 Cb 0.60 2.42 0.02 0.00 -0.74 0.00 0.00 36.82 39.12 3h0m h ILE 172 CO 0.00 0.67 -1.06 0.03 0.00 0.00 0.00 178.15 177.79 3h0m h ARG 173 N -0.35 0.60 -0.26 2.37 3.08 -1.51 -2.22 114.38 116.09 3h0m h ARG 173 Ca -0.39 -0.68 -0.12 0.00 0.07 0.00 0.00 59.98 58.86 3h0m h ARG 173 Cb 1.75 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 3h0m h ARG 173 CO -0.02 1.28 -0.30 0.37 -1.07 0.00 0.00 179.97 180.23 3h0m h GLN 174 N 0.32 0.67 -0.84 0.04 4.15 -1.33 -2.23 115.11 115.90 3h0m h GLN 174 Ca -0.13 -0.36 0.04 0.00 0.77 0.00 0.00 58.65 58.96 3h0m h GLN 174 Cb 1.71 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.37 3h0m h GLN 174 CO 0.20 0.97 0.53 -1.35 -1.93 0.00 0.00 178.83 177.26 3h0m h PRO 175 N 0.39 1.00 -0.93 -2.39 0.11 -1.75 -0.95 132.00 127.48 3h0m h PRO 175 Ca 0.04 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3h0m h PRO 175 Cb 0.87 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 31.70 3h0m h PRO 175 CO 0.07 0.66 0.61 0.00 -0.21 0.00 0.00 178.00 179.14 3h0m h ALA 176 N 1.35 1.20 0.75 -0.75 0.00 -1.33 0.21 119.26 120.69 3h0m h ALA 176 Ca 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3h0m h ALA 176 Cb 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.46 3h0m h ALA 176 CO -0.12 0.54 -0.36 1.03 0.00 0.00 0.00 179.25 180.34 3h0m h SER 177 N 1.23 -0.85 -0.61 0.00 0.87 -0.74 -0.56 113.55 112.89 3h0m h SER 177 Ca 0.35 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 3h0m h SER 177 Cb -0.09 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3h0m h SER 177 CO -0.09 -0.50 0.41 -0.26 -0.53 0.00 0.00 176.83 175.86 3h0m h PHE 178 N -1.19 0.37 -0.59 2.24 -1.00 -1.10 -2.41 116.94 113.26 3h0m h PHE 178 Ca -0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.69 3h0m h PHE 178 Cb 0.79 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.23 3h0m h PHE 178 CO -0.00 0.16 0.00 0.00 -1.61 0.00 0.00 178.31 176.86 3h0m n GLY 180 N 1.53 -0.25 3.12 0.00 0.00 -0.69 -4.72 105.19 104.17 3h0m n GLY 180 Ca 0.22 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 3h0m n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0m s VAL 181 N -3.28 0.48 0.08 1.61 1.01 -0.30 -4.90 120.40 115.09 3h0m s VAL 181 Ca 0.22 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 3h0m s VAL 181 Cb -0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3h0m s VAL 181 CO 0.61 -0.84 1.05 -0.63 0.00 0.00 0.00 175.10 175.29 3h0m s ILE 182 N -3.34 4.39 -0.04 2.22 1.01 0.51 -4.29 121.20 121.66 3h0m s ILE 182 Ca 0.06 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 3h0m s ILE 182 Cb 0.04 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.36 3h0m s ILE 182 CO -0.06 0.21 0.08 -0.83 0.00 0.00 0.00 174.94 174.35 3h0m s GLY 183 N 0.55 0.02 -0.02 6.18 0.00 -0.73 -1.05 107.32 112.28 3h0m s GLY 183 Ca 0.52 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.75 3h0m s GLY 183 CO 0.30 0.72 -0.24 -1.50 0.00 0.00 0.00 173.10 172.38 3h0m s ILE 184 N 0.93 1.92 -0.25 0.90 2.07 -0.44 -0.86 121.20 125.48 3h0m s ILE 184 Ca -0.07 -1.05 -0.02 0.00 -1.41 0.00 0.00 60.65 58.10 3h0m s ILE 184 Cb -0.10 -1.60 0.03 0.00 0.13 0.00 0.00 42.46 40.91 3h0m s ILE 184 CO -0.04 0.53 -0.06 -0.75 -1.91 0.00 0.00 174.94 172.71 3h0m s LYS 185 N -0.60 2.85 1.12 3.50 2.20 -0.61 -2.15 119.74 126.03 3h0m s LYS 185 Ca 0.09 -0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 54.55 3h0m s LYS 185 Cb -0.09 -2.98 0.26 0.00 -1.51 0.00 0.00 37.83 33.51 3h0m s LYS 185 CO -0.01 -0.39 1.21 -1.25 -0.36 0.00 0.00 175.35 174.55 3h0m s PRO 186 N 1.33 -0.57 0.37 4.03 0.04 -1.26 -1.24 135.00 137.70 3h0m s PRO 186 Ca 0.00 -0.26 -0.27 0.00 0.04 0.00 0.00 61.00 60.51 3h0m s PRO 186 Cb -0.16 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 3h0m s PRO 186 CO -0.05 -3.24 1.34 2.41 0.04 0.00 0.00 177.00 177.50 3h0m n THR 187 N -4.38 2.18 -1.67 1.26 -1.04 -1.26 -4.35 114.28 105.00 3h0m n THR 187 Ca 0.15 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 3h0m n THR 187 Cb 0.59 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.40 3h0m n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h0m n TYR 188 N 0.19 2.55 0.00 -1.42 9.36 -0.70 -0.64 117.16 126.50 3h0m n TYR 188 Ca 0.04 -0.28 0.00 0.00 3.32 0.00 0.00 57.90 60.98 3h0m n TYR 188 Cb 0.38 -2.77 0.00 0.00 -0.63 0.00 0.00 39.34 36.31 3h0m n TYR 188 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h0m n GLY 189 N 4.43 1.01 0.10 2.98 0.00 -1.26 -4.92 105.19 107.54 3h0m n GLY 189 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3h0m n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0m h ARG 190 N 2.45 0.00 -5.67 1.61 2.43 -1.22 -1.14 114.38 112.85 3h0m h ARG 190 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 3h0m h ARG 190 Cb 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 3h0m h ARG 190 CO 0.00 0.76 -0.85 0.08 -1.51 0.00 0.00 179.97 178.44 3h0m s VAL 191 N -2.94 1.60 0.56 0.20 1.01 -1.26 -0.69 120.40 118.87 3h0m s VAL 191 Ca 0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 3h0m s VAL 191 Cb 0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3h0m s VAL 191 CO 0.78 0.46 1.37 -0.55 0.00 0.00 0.00 175.10 177.15 3h0m s SER 192 N -0.18 5.18 -0.13 3.32 0.15 -1.26 -4.73 113.70 116.05 3h0m s SER 192 Ca 0.00 2.79 0.15 0.00 0.70 0.00 0.00 55.95 59.59 3h0m s SER 192 Cb -0.11 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 62.11 3h0m s SER 192 CO 0.01 -1.64 1.46 0.54 1.20 0.00 0.00 173.24 174.81 3h0m n ARG 193 N -1.11 3.28 -2.28 5.44 1.74 -1.26 -4.73 116.66 117.75 3h0m n ARG 193 Ca 0.11 -2.69 -0.43 0.00 -0.77 0.00 0.00 57.85 54.07 3h0m n ARG 193 Cb 0.45 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3h0m n ARG 193 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3h0m s TYR 194 N -2.18 2.29 0.00 -1.55 5.04 -1.26 -2.33 117.35 117.37 3h0m s TYR 194 Ca 0.41 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 3h0m s TYR 194 Cb 0.29 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 38.37 3h0m s TYR 194 CO 0.14 -2.20 0.00 0.41 -1.34 0.00 0.00 175.55 172.57 3h0m n GLY 195 N 5.08 0.82 3.53 8.97 0.00 -1.26 -0.69 105.19 121.64 3h0m n GLY 195 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 3.89 -0.17 0.99 2.96 -0.98 -1.33 118.68 124.04 3h0m s LEU 196 Ca 0.00 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 3h0m s LEU 196 Cb 0.00 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3h0m s LEU 196 CO 0.00 -0.07 2.07 -0.69 -1.32 0.00 0.00 176.35 176.34 3h0m s VAL 197 N 1.71 3.12 0.18 1.68 1.01 0.41 -4.86 120.40 123.64 3h0m s VAL 197 Ca 0.07 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3h0m s VAL 197 Cb -0.16 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3h0m s VAL 197 CO 0.08 -0.07 1.48 0.00 0.00 0.00 0.00 175.10 176.59 3h0m s ALA 198 N 6.98 3.68 0.00 5.51 0.00 -1.26 -4.95 121.76 131.71 3h0m s ALA 198 Ca 0.93 1.28 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3h0m s ALA 198 Cb -0.34 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3h0m s ALA 198 CO 0.36 -0.72 0.00 0.34 0.00 0.00 0.00 175.76 175.74 3h0m n PHE 199 N 3.44 0.00 -3.94 0.00 7.35 -1.26 -4.78 117.46 118.27 3h0m n PHE 199 Ca 0.11 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.49 3h0m n PHE 199 Cb 0.40 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.08 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 -3.43 2.40 0.35 3.13 0.00 -1.26 -2.71 121.76 120.24 3h0m s ALA 200 Ca 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 51.96 49.95 3h0m s ALA 200 Cb 0.00 -1.78 0.81 0.00 0.00 0.00 0.00 23.12 22.16 3h0m s ALA 200 CO 0.00 -1.58 1.86 0.77 0.00 0.00 0.00 175.76 176.81 3h0m h SER 201 N 7.79 0.66 0.49 0.00 0.02 -1.93 0.99 113.55 121.58 3h0m h SER 201 Ca -0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3h0m h SER 201 Cb 1.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3h0m h SER 201 CO 0.49 0.33 0.00 -1.54 -1.14 0.00 0.00 176.83 174.96 3h0m n SER 202 N -4.57 0.00 0.00 3.07 3.41 -1.26 -4.01 113.62 110.25 3h0m n SER 202 Ca 0.18 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h0m n SER 202 Cb 0.48 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.26 0.10 -4.76 1.04 4.77 -0.40 -4.97 117.00 111.52 3h0m n LEU 203 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 3h0m n LEU 203 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h0m n LEU 203 CO 0.21 0.02 1.08 0.47 -1.33 0.00 0.00 177.39 177.84 3h0m n ASP 204 N -1.86 3.41 -3.70 -1.43 8.00 0.21 -4.51 116.55 116.66 3h0m n ASP 204 Ca 0.00 1.15 -0.13 0.00 0.71 0.00 0.00 54.79 56.51 3h0m n ASP 204 Cb 0.45 -1.60 -0.09 0.00 -0.02 0.00 0.00 41.12 39.85 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 -2.34 0.59 0.51 -1.24 -1.52 -0.87 -4.86 119.66 109.92 3h0m s GLN 205 Ca 0.59 0.65 -0.21 0.00 -1.95 0.00 0.00 55.36 54.44 3h0m s GLN 205 Cb -0.46 0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.55 3h0m s GLN 205 CO 0.59 -0.08 1.19 0.42 -0.25 0.00 0.00 175.29 177.16 3h0m s ILE 206 N 0.18 2.91 0.00 1.08 1.01 -1.26 0.08 121.20 125.21 3h0m s ILE 206 Ca -0.01 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.28 3h0m s ILE 206 Cb -0.03 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3h0m s ILE 206 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.50 3h0m n GLY 207 N 0.42 3.06 3.11 6.18 0.00 -0.36 -4.48 105.19 113.13 3h0m n GLY 207 Ca 0.10 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.47 1.16 -0.07 1.61 1.01 -0.92 -1.66 120.40 119.06 3h0m s VAL 208 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3h0m s VAL 208 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3h0m s VAL 208 CO 0.00 0.33 -0.02 -0.36 0.00 0.00 0.00 175.10 175.05 3h0m s PHE 209 N -0.28 3.08 0.38 5.22 0.08 0.08 -1.33 117.98 125.21 3h0m s PHE 209 Ca 0.04 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.11 3h0m s PHE 209 Cb -0.06 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3h0m s PHE 209 CO -0.00 0.42 0.70 0.20 -0.10 0.00 0.00 175.22 176.44 3h0m s GLY 210 N -0.91 0.78 -0.04 4.36 0.00 -0.21 -1.43 107.32 109.86 3h0m s GLY 210 Ca 0.13 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 43.90 3h0m s GLY 210 CO 0.03 -0.55 0.12 0.54 0.00 0.00 0.00 173.10 173.24 3h0m n ARG 211 N -0.56 1.33 -5.04 2.90 1.74 -1.26 -0.36 116.66 115.41 3h0m n ARG 211 Ca -0.06 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 3h0m n ARG 211 Cb 0.60 -1.21 -0.14 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.42 2.36 0.52 5.56 0.52 -1.26 -4.46 118.95 119.76 3h0m s ARG 212 Ca -0.04 -0.78 0.16 0.00 -0.52 0.00 0.00 55.73 54.55 3h0m s ARG 212 Cb 0.04 -2.25 1.25 0.00 0.52 0.00 0.00 34.95 34.51 3h0m s ARG 212 CO 0.35 0.60 2.14 1.15 0.02 0.00 0.00 175.30 179.56 3h0m h THR 213 N 4.40 1.01 -0.19 0.02 2.02 -1.93 -1.08 112.91 117.16 3h0m h THR 213 Ca -0.45 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.54 3h0m h THR 213 Cb 1.14 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3h0m h THR 213 CO 0.49 0.01 -0.55 -0.33 0.37 0.00 0.00 175.52 175.51 3h0m h GLU 214 N 0.01 0.57 -0.01 6.66 5.08 -1.95 -0.44 114.58 124.49 3h0m h GLU 214 Ca 0.00 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3h0m h GLU 214 Cb 0.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3h0m h GLU 214 CO 0.00 0.97 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.38 3h0m h ASP 215 N 0.44 -0.46 -0.43 1.42 5.19 -1.63 -1.73 116.42 119.22 3h0m h ASP 215 Ca 0.01 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 3h0m h ASP 215 Cb 1.09 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 3h0m h ASP 215 CO 0.10 -0.22 0.20 0.58 -3.12 0.00 0.00 179.24 176.79 3h0m h VAL 216 N -0.25 1.18 -0.29 -1.35 2.07 -1.37 -2.33 116.25 113.92 3h0m h VAL 216 Ca 0.06 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3h0m h VAL 216 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3h0m h VAL 216 CO -0.16 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.72 3h0m h ALA 217 N 1.05 1.62 0.09 1.67 0.00 -0.89 -2.04 119.26 120.77 3h0m h ALA 217 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3h0m h ALA 217 Cb 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h0m h ALA 217 CO -0.02 0.29 -0.58 1.25 0.00 0.00 0.00 179.25 180.20 3h0m h LEU 218 N 0.41 0.35 -0.85 0.00 5.85 -1.04 -2.27 115.31 117.76 3h0m h LEU 218 Ca 0.10 -0.94 0.01 0.00 0.84 0.00 0.00 57.88 57.89 3h0m h LEU 218 Cb 0.13 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3h0m h LEU 218 CO -0.01 1.26 0.56 0.58 -0.34 0.00 0.00 178.44 180.50 3h0m h VAL 219 N -0.51 1.20 -0.51 1.05 2.07 -1.33 -1.78 116.25 116.44 3h0m h VAL 219 Ca -0.10 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3h0m h VAL 219 Cb 1.43 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3h0m h VAL 219 CO 0.11 0.21 0.23 0.25 0.02 0.00 0.00 177.57 178.39 3h0m h LEU 220 N 1.14 0.69 -0.82 2.57 5.85 -1.44 -2.27 115.31 121.02 3h0m h LEU 220 Ca 0.32 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3h0m h LEU 220 Cb -0.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3h0m h LEU 220 CO -0.08 0.64 0.51 -0.08 -0.34 0.00 0.00 178.44 179.10 3h0m h GLU 221 N 0.69 0.94 -0.17 1.25 4.81 -0.87 -1.77 114.58 119.46 3h0m h GLU 221 Ca 0.17 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3h0m h GLU 221 Cb 0.15 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3h0m h GLU 221 CO -0.02 0.62 0.02 0.28 -0.73 0.00 0.00 179.01 179.18 3h0m h VAL 222 N 0.97 1.24 0.00 0.32 2.07 -0.98 -3.18 116.25 116.69 3h0m h VAL 222 Ca 0.34 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3h0m h VAL 222 Cb 0.09 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3h0m h VAL 222 CO -0.14 0.23 -0.12 2.30 0.02 0.00 0.00 177.57 179.86 3h0m n ILE 223 N -4.76 0.16 -2.23 4.57 -5.35 -0.89 -4.84 119.36 106.03 3h0m n ILE 223 Ca -0.05 -0.08 -0.26 0.00 -0.27 0.00 0.00 62.75 62.09 3h0m n ILE 223 Cb 0.20 -0.38 0.07 0.00 -1.74 0.00 0.00 39.64 37.79 3h0m n ILE 223 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3h0m s SER 224 N -3.43 4.78 0.00 7.28 0.01 -0.68 -4.53 113.70 117.13 3h0m s SER 224 Ca 0.12 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.78 3h0m s SER 224 Cb 0.17 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.36 3h0m s SER 224 CO 0.58 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 173.23 3h0m n GLY 225 N -2.91 2.38 3.71 3.44 0.00 0.13 -4.98 105.19 106.96 3h0m n GLY 225 Ca 0.08 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 0.75 2.43 -4.10 1.61 -0.00 -1.24 -4.42 117.44 112.47 3h0m n TRP 226 Ca 0.00 0.47 -0.25 0.00 -0.00 0.00 0.00 57.50 57.72 3h0m n TRP 226 Cb 0.00 -2.47 -0.17 0.00 -0.00 0.00 0.00 31.31 28.67 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 -0.03 1.80 0.57 5.87 2.15 -1.26 -5.02 116.67 120.74 3h0m s ASP 227 Ca 0.59 -0.24 0.34 0.00 0.43 0.00 0.00 52.55 53.67 3h0m s ASP 227 Cb -0.56 -0.72 1.68 0.00 -0.30 0.00 0.00 42.92 43.02 3h0m s ASP 227 CO 0.58 -0.08 2.12 1.05 -0.17 0.00 0.00 175.17 178.67 3h0m h GLU 228 N 7.74 0.00 -0.00 4.34 4.11 -1.97 -1.71 114.58 127.09 3h0m h GLU 228 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3h0m h GLU 228 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h0m h GLU 228 CO 0.41 0.06 -0.03 1.63 0.07 0.00 0.00 179.01 181.15 3h0m n LYS 229 N -3.32 0.99 -3.87 1.06 5.02 -1.26 -4.70 118.16 112.08 3h0m n LYS 229 Ca -0.01 -0.24 -0.29 0.00 -2.02 0.00 0.00 58.31 55.74 3h0m n LYS 229 Cb 0.22 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 3h0m n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h0m s ASP 230 N -2.18 3.24 0.46 4.39 2.15 -0.64 -4.82 116.67 119.28 3h0m s ASP 230 Ca 0.39 -0.90 0.23 0.00 0.43 0.00 0.00 52.55 52.70 3h0m s ASP 230 Cb 0.21 -0.94 1.14 0.00 -0.30 0.00 0.00 42.92 43.03 3h0m s ASP 230 CO 0.40 -0.23 1.95 0.28 -0.17 0.00 0.00 175.17 177.40 3h0m h SER 231 N 8.08 0.00 0.19 -0.34 0.02 -1.84 -2.74 113.55 116.93 3h0m h SER 231 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3h0m h SER 231 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3h0m h SER 231 CO 0.39 0.21 -0.36 0.35 -1.14 0.00 0.00 176.83 176.28 3h0m n THR 232 N -3.69 0.00 -2.53 -2.27 -2.24 -1.26 -4.89 114.28 97.40 3h0m n THR 232 Ca -0.01 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3h0m n THR 232 Cb 0.33 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.56 7.29 0.24 3.42 1.04 -1.03 -4.46 113.70 117.64 3h0m s SER 233 Ca 0.21 2.10 -0.25 0.00 0.48 0.00 0.00 55.95 58.48 3h0m s SER 233 Cb 0.19 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 3h0m s SER 233 CO 0.56 -0.19 0.85 0.00 0.98 0.00 0.00 173.24 175.44 3h0m s ALA 234 N -0.39 3.35 -1.38 5.32 0.00 -0.43 -4.76 121.76 123.46 3h0m s ALA 234 Ca 0.48 0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 3h0m s ALA 234 Cb -0.29 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 19.87 3h0m s ALA 234 CO 0.35 0.25 2.24 1.63 0.00 0.00 0.00 175.76 180.23 3h0m n LYS 235 N 1.12 3.69 -4.59 0.00 5.02 -1.26 -3.70 118.16 118.43 3h0m n LYS 235 Ca -0.02 -3.11 -0.24 0.00 -2.02 0.00 0.00 58.31 52.92 3h0m n LYS 235 Cb 0.49 -2.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.42 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 0.92 1.11 0.47 -0.18 1.01 -1.26 -5.08 120.40 117.39 3h0m s VAL 236 Ca 0.49 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 3h0m s VAL 236 Cb 0.14 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 3h0m s VAL 236 CO -0.05 0.34 1.34 -2.16 0.00 0.00 0.00 175.10 174.58 3h0m s PRO 237 N 0.45 3.62 -0.18 2.72 0.04 -1.26 -4.55 135.00 135.83 3h0m s PRO 237 Ca -0.10 2.22 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 3h0m s PRO 237 Cb -0.13 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 3h0m s PRO 237 CO 0.03 -0.80 0.97 0.08 0.04 0.00 0.00 177.00 177.32 3h0m s VAL 238 N -1.28 4.76 0.57 -0.36 1.01 -1.26 -5.03 120.40 118.81 3h0m s VAL 238 Ca 0.63 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 64.33 3h0m s VAL 238 Cb -0.39 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3h0m s VAL 238 CO 0.49 -0.08 1.22 -2.84 0.00 0.00 0.00 175.10 173.89 3h0m s PRO 239 N 2.62 3.08 -1.23 2.72 0.02 -1.26 -4.89 135.00 136.05 3h0m s PRO 239 Ca 0.43 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 3h0m s PRO 239 Cb -0.16 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3h0m s PRO 239 CO 0.11 -1.13 1.93 0.39 -0.33 0.00 0.00 177.00 177.97 3h0m n GLU 240 N -1.42 2.50 0.08 5.54 1.02 -1.26 -4.77 120.64 122.33 3h0m n GLU 240 Ca 0.13 -2.70 0.01 0.00 -0.02 0.00 0.00 57.16 54.58 3h0m n GLU 240 Cb 0.49 -3.40 0.36 0.00 -0.02 0.00 0.00 31.44 28.86 3h0m n GLU 240 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3h0m h TRP 241 N 7.68 0.34 -0.30 -0.32 6.55 -1.90 -2.30 115.95 125.70 3h0m h TRP 241 Ca 0.43 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 60.21 3h0m h TRP 241 Cb 0.79 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 3h0m h TRP 241 CO 1.36 0.43 0.10 0.66 -1.05 0.00 0.00 178.44 179.94 3h0m h SER 242 N 0.31 0.37 0.19 -3.49 4.64 -1.86 -0.89 113.55 112.83 3h0m h SER 242 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3h0m h SER 242 Cb 0.37 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3h0m h SER 242 CO 0.02 0.36 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.54 3h0m n GLU 243 N -4.40 1.02 -0.05 4.77 -0.58 -0.90 -4.38 120.64 116.12 3h0m n GLU 243 Ca 0.01 -0.57 -0.04 0.00 -0.42 0.00 0.00 57.16 56.14 3h0m n GLU 243 Cb 0.14 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.44 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 -0.49 2.03 -0.24 3.49 4.07 -0.43 -4.56 120.64 124.51 3h0m n GLU 244 Ca 0.14 -0.02 0.07 0.00 -0.06 0.00 0.00 57.16 57.30 3h0m n GLU 244 Cb 0.34 -1.28 0.33 0.00 -0.06 0.00 0.00 31.44 30.76 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 0.99 0.00 6.31 -1.51 -1.52 -2.62 116.25 117.89 3h0m h VAL 245 Ca -0.27 -0.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 3h0m h VAL 245 Cb 1.57 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3h0m h VAL 245 CO 0.01 0.15 -0.14 0.11 -1.23 0.00 0.00 177.57 176.47 3h0m h LYS 246 N 0.82 0.00 -7.30 5.19 1.57 -1.83 -3.40 116.57 111.63 3h0m h LYS 246 Ca 0.37 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.65 3h0m h LYS 246 Cb 0.35 0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.82 3h0m h LYS 246 CO -0.14 0.14 0.25 0.15 -0.57 0.00 0.00 179.45 179.29 3h0m s LYS 247 N -3.40 1.43 -0.10 3.15 1.02 -0.99 -5.06 119.74 115.79 3h0m s LYS 247 Ca 0.03 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3h0m s LYS 247 Cb 0.08 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.61 3h0m s LYS 247 CO 0.64 -2.21 -0.07 -2.00 -0.92 0.00 0.00 175.35 170.79 3h0m s GLU 248 N -4.82 1.41 -0.20 1.68 2.12 -1.26 -4.92 118.70 112.71 3h0m s GLU 248 Ca 0.64 -0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.66 3h0m s GLU 248 Cb -0.19 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 3h0m s GLU 248 CO 0.57 -0.21 0.06 0.08 -0.54 0.00 0.00 175.26 175.23 3h0m s VAL 249 N 1.50 4.61 0.35 3.70 1.01 -1.26 -5.09 120.40 125.22 3h0m s VAL 249 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3h0m s VAL 249 Cb -0.13 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 3h0m s VAL 249 CO -0.05 0.42 1.05 -0.54 0.00 0.00 0.00 175.10 175.98 3h0m s LYS 250 N 0.75 4.38 -0.99 2.72 1.02 -1.26 -4.23 119.74 122.13 3h0m s LYS 250 Ca 0.03 1.58 -0.03 0.00 0.02 0.00 0.00 55.97 57.58 3h0m s LYS 250 Cb -0.13 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3h0m s LYS 250 CO 0.02 0.04 0.36 0.41 -0.92 0.00 0.00 175.35 175.26 3h0m n GLY 251 N 0.68 -0.08 3.78 -3.33 0.00 -1.26 -5.01 105.19 99.97 3h0m n GLY 251 Ca 0.03 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.35 3.20 0.02 0.99 1.43 -1.26 -4.88 118.68 113.84 3h0m s LEU 252 Ca 0.18 1.82 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 3h0m s LEU 252 Cb -0.08 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 3h0m s LEU 252 CO 0.22 -1.70 -0.16 -0.54 0.23 0.00 0.00 176.35 174.41 3h0m s LYS 253 N -4.62 1.16 -0.09 1.70 1.02 -1.26 -2.35 119.74 115.29 3h0m s LYS 253 Ca 0.62 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.91 3h0m s LYS 253 Cb -0.17 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.97 3h0m s LYS 253 CO 0.50 0.31 -0.18 0.42 -0.92 0.00 0.00 175.35 175.47 3h0m s ILE 254 N -0.66 1.64 -0.14 2.17 1.01 -0.23 -1.41 121.20 123.59 3h0m s ILE 254 Ca 0.05 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 3h0m s ILE 254 Cb -0.07 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3h0m s ILE 254 CO 0.01 0.47 0.22 -0.83 0.00 0.00 0.00 174.94 174.80 3h0m s GLY 255 N 0.64 2.18 -0.38 6.18 0.00 -0.53 -0.78 107.32 114.62 3h0m s GLY 255 Ca -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 3h0m s GLY 255 CO 0.04 0.07 0.16 1.08 0.00 0.00 0.00 173.10 174.45 3h0m s LEU 256 N -0.21 4.88 -0.09 0.66 1.43 0.46 -1.75 118.68 124.07 3h0m s LEU 256 Ca 0.15 -1.72 -0.33 0.00 -1.03 0.00 0.00 54.13 51.19 3h0m s LEU 256 Cb -0.13 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 3h0m s LEU 256 CO 0.03 -0.47 1.93 -2.65 0.23 0.00 0.00 176.35 175.42 3h0m n PRO 257 N 4.67 2.23 -0.17 1.29 -0.02 -1.26 -1.80 135.00 139.93 3h0m n PRO 257 Ca -0.07 0.80 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 3h0m n PRO 257 Cb 0.42 -2.72 0.53 0.00 -0.02 0.00 0.00 33.50 31.72 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 9.81 0.35 0.00 -0.52 1.57 -1.03 -0.92 116.57 125.84 3h0m h LYS 258 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3h0m h LYS 258 Cb 1.27 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3h0m h LYS 258 CO 0.95 0.23 0.00 0.93 -0.57 0.00 0.00 179.45 180.99 3h0m h GLU 259 N 0.36 0.00 0.00 3.15 3.07 -1.89 -2.66 114.58 116.61 3h0m h GLU 259 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3h0m h GLU 259 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3h0m h GLU 259 CO -0.12 0.00 0.00 0.74 -1.40 0.00 0.00 179.01 178.23 3h0m h PHE 260 N 0.00 0.00 -0.04 4.33 0.04 -1.53 -3.11 116.94 116.62 3h0m h PHE 260 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3h0m h PHE 260 Cb 0.71 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 3h0m h PHE 260 CO 0.00 0.00 -0.08 0.74 -0.60 0.00 0.00 178.31 178.37 3h0m h PHE 261 N 0.00 0.05 -0.00 -0.55 0.04 -1.55 -2.09 116.94 112.83 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 0.78 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.92 3h0m h PHE 261 CO 0.00 0.13 -0.00 0.39 -0.60 0.00 0.00 178.31 178.23 3h0m n GLU 262 N -4.42 1.20 -2.81 1.51 -0.58 -1.18 -4.81 120.64 109.56 3h0m n GLU 262 Ca -0.02 -0.32 -0.42 0.00 -0.42 0.00 0.00 57.16 55.98 3h0m n GLU 262 Cb 0.17 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.01 3.50 -0.17 -0.32 1.51 -0.79 -4.99 117.35 114.08 3h0m s TYR 263 Ca 0.44 1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 57.65 3h0m s TYR 263 Cb 0.22 -3.07 -0.06 0.00 -0.11 0.00 0.00 41.96 38.94 3h0m s TYR 263 CO 0.36 -0.17 2.13 -1.21 -1.11 0.00 0.00 175.55 175.55 3h0m s GLU 264 N 1.81 3.38 0.07 -0.62 2.02 -1.26 -4.99 118.70 119.12 3h0m s GLU 264 Ca 0.43 2.12 0.05 0.00 0.02 0.00 0.00 54.97 57.59 3h0m s GLU 264 Cb -0.18 -4.31 -0.04 0.00 0.10 0.00 0.00 34.13 29.70 3h0m s GLU 264 CO 0.17 -1.82 -0.06 -0.51 0.02 0.00 0.00 175.26 173.06 3h0m s LEU 265 N 7.30 3.22 0.23 1.80 1.43 -1.26 -4.83 118.68 126.57 3h0m s LEU 265 Ca 0.96 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 3h0m s LEU 265 Cb -0.34 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 3h0m s LEU 265 CO 0.36 0.20 1.29 -1.10 0.23 0.00 0.00 176.35 177.33 3h0m s GLN 266 N -2.04 4.41 0.33 1.70 -0.21 0.14 -4.87 119.66 119.12 3h0m s GLN 266 Ca 0.22 2.06 0.11 0.00 0.02 0.00 0.00 55.36 57.76 3h0m s GLN 266 Cb -0.11 -3.17 0.93 0.00 1.00 0.00 0.00 33.01 31.65 3h0m s GLN 266 CO 0.14 -0.19 1.72 -1.35 -2.12 0.00 0.00 175.29 173.48 3h0m h PRO 267 N 4.86 0.52 -0.78 2.91 0.11 -1.99 0.21 132.00 137.84 3h0m h PRO 267 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h0m h PRO 267 Cb 1.22 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3h0m h PRO 267 CO 0.74 0.34 0.50 1.96 -0.21 0.00 0.00 178.00 181.34 3h0m h GLN 268 N 0.53 1.03 -0.05 1.05 7.50 -1.97 -0.67 115.11 122.53 3h0m h GLN 268 Ca 0.66 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.72 3h0m h GLN 268 Cb 1.31 -0.23 -0.00 0.00 0.05 0.00 0.00 27.48 28.61 3h0m h GLN 268 CO -0.49 0.69 -0.03 0.28 -1.50 0.00 0.00 178.83 177.78 3h0m h VAL 269 N 1.06 1.34 -0.30 -0.54 2.07 -0.99 -1.70 116.25 117.20 3h0m h VAL 269 Ca 0.28 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.77 3h0m h VAL 269 Cb -0.10 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3h0m h VAL 269 CO -0.06 0.30 -0.43 0.50 0.02 0.00 0.00 177.57 177.90 3h0m h LYS 270 N -0.29 -0.38 -0.36 1.57 3.64 -1.02 0.16 116.57 119.89 3h0m h LYS 270 Ca 0.01 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3h0m h LYS 270 Cb 0.49 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 3h0m h LYS 270 CO 0.01 -0.25 0.06 0.93 -2.27 0.00 0.00 179.45 177.92 3h0m h GLU 271 N -0.40 0.17 -0.83 1.90 5.08 -1.13 0.47 114.58 119.84 3h0m h GLU 271 Ca 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3h0m h GLU 271 Cb 0.60 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3h0m h GLU 271 CO -0.51 0.11 0.55 0.00 -1.00 0.00 0.00 179.01 178.16 3h0m h ALA 272 N 1.28 1.05 -0.01 3.43 0.00 -0.85 -1.98 119.26 122.18 3h0m h ALA 272 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h0m h ALA 272 Cb 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h0m h ALA 272 CO -0.24 0.46 -0.00 0.35 0.00 0.00 0.00 179.25 179.81 3h0m h PHE 273 N 1.12 0.02 -0.84 0.00 3.57 -0.09 -1.81 116.94 118.91 3h0m h PHE 273 Ca 0.30 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.93 3h0m h PHE 273 Cb -0.13 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.52 3h0m h PHE 273 CO -0.01 0.44 0.43 0.93 -2.23 0.00 0.00 178.31 177.87 3h0m h GLU 274 N -0.40 0.62 -0.49 1.11 5.08 -0.87 -0.79 114.58 118.85 3h0m h GLU 274 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 3h0m h GLU 274 Cb 0.43 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3h0m h GLU 274 CO 0.00 0.41 -0.16 -0.97 -1.00 0.00 0.00 179.01 177.30 3h0m h ASN 275 N 0.64 0.96 -0.54 1.42 -0.73 -1.35 -0.55 115.58 115.44 3h0m h ASN 275 Ca 0.45 -0.33 0.04 0.00 1.87 0.00 0.00 56.30 58.32 3h0m h ASN 275 Cb 0.60 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.88 3h0m h ASN 275 CO -0.34 1.10 0.29 0.15 -0.37 0.00 0.00 177.43 178.27 3h0m h PHE 276 N 0.84 0.54 -0.16 0.67 3.57 -0.39 -0.89 116.94 121.13 3h0m h PHE 276 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3h0m h PHE 276 Cb 0.71 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 3h0m h PHE 276 CO 0.04 0.28 -0.07 0.82 -2.23 0.00 0.00 178.31 177.15 3h0m h ILE 277 N 0.57 1.31 -0.70 1.41 1.08 -1.02 -1.69 117.51 118.47 3h0m h ILE 277 Ca 0.23 -1.11 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3h0m h ILE 277 Cb 0.11 1.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 3h0m h ILE 277 CO -0.14 0.33 0.40 0.11 -0.69 0.00 0.00 178.15 178.16 3h0m h LYS 278 N -0.00 0.72 -0.08 2.37 1.57 -0.99 0.40 116.57 120.55 3h0m h LYS 278 Ca 0.03 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3h0m h LYS 278 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3h0m h LYS 278 CO 0.02 0.47 -0.48 1.49 -0.57 0.00 0.00 179.45 180.38 3h0m h GLU 279 N 0.74 0.19 -0.20 3.15 4.57 -1.11 -0.47 114.58 121.45 3h0m h GLU 279 Ca 0.31 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 3h0m h GLU 279 Cb 0.18 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3h0m h GLU 279 CO -0.18 0.64 -0.49 -0.07 -1.18 0.00 0.00 179.01 177.73 3h0m h LEU 280 N 0.16 0.77 -0.40 1.64 3.38 -0.65 -2.94 115.31 117.26 3h0m h LEU 280 Ca 0.01 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.49 3h0m h LEU 280 Cb 0.91 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 3h0m h LEU 280 CO 0.07 1.20 -0.12 -0.08 0.09 0.00 0.00 178.44 179.60 3h0m h GLU 281 N 0.38 -0.03 -0.68 1.13 4.81 0.19 -1.74 114.58 118.64 3h0m h GLU 281 Ca -0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.37 3h0m h GLU 281 Cb 1.10 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3h0m h GLU 281 CO 0.11 -0.02 0.46 0.87 -0.73 0.00 0.00 179.01 179.70 3h0m h LYS 282 N -0.03 0.29 -0.00 1.92 1.57 -1.05 -0.06 116.57 119.21 3h0m h LYS 282 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3h0m h LYS 282 Cb 0.33 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3h0m h LYS 282 CO -0.43 0.19 -0.04 0.39 -0.57 0.00 0.00 179.45 178.99 3h0m n GLU 283 N -4.45 0.48 0.00 3.15 -0.58 -0.68 -4.91 120.64 113.66 3h0m n GLU 283 Ca 0.13 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3h0m n GLU 283 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 1.29 1.21 3.73 0.62 0.00 -0.04 -5.08 105.19 106.92 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 3.58 0.04 1.61 0.40 -1.07 -4.65 117.98 115.90 3h0m s PHE 285 Ca 0.00 1.56 -0.28 0.00 -0.60 0.00 0.00 56.93 57.61 3h0m s PHE 285 Cb 0.00 -3.27 -0.05 0.00 0.51 0.00 0.00 43.02 40.21 3h0m s PHE 285 CO 0.00 -0.63 0.88 -2.00 0.70 0.00 0.00 175.22 174.17 3h0m s GLU 286 N 0.07 4.58 -0.22 0.44 2.12 -0.99 -4.34 118.70 120.35 3h0m s GLU 286 Ca 0.51 1.27 -0.03 0.00 0.36 0.00 0.00 54.97 57.08 3h0m s GLU 286 Cb -0.28 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.70 3h0m s GLU 286 CO 0.33 0.15 -0.06 0.42 -0.54 0.00 0.00 175.26 175.56 3h0m s ILE 287 N 0.33 3.24 0.02 -3.70 -1.09 -1.26 -1.06 121.20 117.68 3h0m s ILE 287 Ca 0.45 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 3h0m s ILE 287 Cb -0.21 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3h0m s ILE 287 CO 0.26 0.43 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.71 3h0m s LYS 288 N 1.46 1.05 0.08 2.79 1.02 0.04 -4.98 119.74 121.20 3h0m s LYS 288 Ca 0.06 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3h0m s LYS 288 Cb -0.14 -1.05 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 3h0m s LYS 288 CO -0.04 0.27 1.01 -1.21 -0.92 0.00 0.00 175.35 174.46 3h0m s GLU 289 N -0.86 4.62 0.36 1.68 2.02 -1.26 -0.40 118.70 124.86 3h0m s GLU 289 Ca 0.03 1.51 0.09 0.00 0.02 0.00 0.00 54.97 56.62 3h0m s GLU 289 Cb -0.07 -3.38 -0.07 0.00 0.10 0.00 0.00 34.13 30.71 3h0m s GLU 289 CO 0.01 0.07 -0.06 0.14 0.02 0.00 0.00 175.26 175.44 3h0m s VAL 290 N 0.36 2.22 -0.04 2.63 -7.23 -0.75 -4.80 120.40 112.79 3h0m s VAL 290 Ca 0.50 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 3h0m s VAL 290 Cb -0.24 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 3h0m s VAL 290 CO 0.30 -0.15 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.44 3h0m s SER 291 N -3.65 4.72 -0.44 4.85 0.01 -1.26 -0.30 113.70 117.63 3h0m s SER 291 Ca 0.33 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.59 3h0m s SER 291 Cb 0.04 -1.17 0.18 0.00 0.21 0.00 0.00 66.02 65.28 3h0m s SER 291 CO 0.17 0.33 0.39 0.18 0.41 0.00 0.00 173.24 174.72 3h0m n LEU 292 N 1.92 -0.02 0.29 2.44 4.77 -1.26 -4.67 117.00 120.48 3h0m n LEU 292 Ca -0.17 -4.51 0.14 0.00 -0.03 0.00 0.00 56.01 51.44 3h0m n LEU 292 Cb 0.53 0.43 0.77 0.00 -2.33 0.00 0.00 43.42 42.82 3h0m n LEU 292 CO 0.29 1.89 1.06 1.55 -1.33 0.00 0.00 177.39 180.84 3h0m h PRO 293 N 5.33 0.00 0.00 3.23 0.13 -1.96 -2.53 132.00 136.20 3h0m h PRO 293 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3h0m h PRO 293 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3h0m h PRO 293 CO 0.42 0.00 -1.52 0.72 -0.23 0.00 0.00 178.00 177.39 3h0m n HIS 294 N -2.72 0.00 -0.36 1.56 8.25 -1.26 -4.68 115.22 116.01 3h0m n HIS 294 Ca -0.02 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.72 3h0m n HIS 294 Cb 0.31 -0.29 0.57 0.00 1.12 0.00 0.00 29.99 31.70 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 0.39 -0.02 1.59 -1.51 -1.81 0.21 116.25 115.10 3h0m h VAL 295 Ca 0.00 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.38 3h0m h VAL 295 Cb 0.67 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 29.93 3h0m h VAL 295 CO 0.00 0.05 0.12 0.07 -1.23 0.00 0.00 177.57 176.58 3h0m h LYS 296 N 0.27 0.00 -0.00 5.19 2.10 -1.83 0.33 116.57 122.63 3h0m h LYS 296 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 3h0m h LYS 296 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 3h0m h LYS 296 CO -0.32 0.00 -0.07 0.66 -2.00 0.00 0.00 179.45 177.72 3h0m n TYR 297 N -3.17 0.00 -0.22 0.07 4.01 0.74 -4.30 117.16 114.29 3h0m n TYR 297 Ca -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3h0m n TYR 297 Cb 0.19 -0.21 0.13 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.35 0.22 0.46 7.72 0.02 -0.48 -2.17 113.55 119.66 3h0m h SER 298 Ca 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3h0m h SER 298 Cb 0.32 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3h0m h SER 298 CO 0.00 0.11 -0.22 0.40 -1.14 0.00 0.00 176.83 175.98 3h0m h ILE 299 N 0.40 0.54 0.00 3.27 1.08 -1.79 0.44 117.51 121.45 3h0m h ILE 299 Ca 0.34 -0.12 -0.08 0.00 -0.39 0.00 0.00 64.86 64.61 3h0m h ILE 299 Cb 0.46 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3h0m h ILE 299 CO -0.35 0.02 -0.39 1.55 -0.69 0.00 0.00 178.15 178.30 3h0m h PRO 300 N -0.69 0.00 -0.16 2.37 0.13 -1.83 -0.22 132.00 131.61 3h0m h PRO 300 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3h0m h PRO 300 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3h0m h PRO 300 CO 0.10 0.39 0.10 1.15 -0.23 0.00 0.00 178.00 179.52 3h0m h THR 301 N 0.00 1.05 -0.50 1.56 2.02 -1.30 -2.79 112.91 112.95 3h0m h THR 301 Ca -0.00 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3h0m h THR 301 Cb 0.71 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3h0m h THR 301 CO 0.05 0.05 -0.09 0.22 0.37 0.00 0.00 175.52 176.12 3h0m h TYR 302 N 0.20 1.01 -0.18 3.16 3.20 -0.12 -1.62 116.97 122.63 3h0m h TYR 302 Ca 0.06 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3h0m h TYR 302 Cb -0.01 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3h0m h TYR 302 CO -0.06 0.95 0.00 0.66 -1.64 0.00 0.00 178.16 178.06 3h0m n TYR 303 N -4.16 0.44 -0.04 -3.82 4.01 -0.17 -1.11 117.16 112.32 3h0m n TYR 303 Ca 0.02 -0.17 -0.08 0.00 -0.16 0.00 0.00 57.90 57.50 3h0m n TYR 303 Cb 0.37 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.14 1.21 0.13 -0.72 5.41 -0.88 -4.66 119.36 119.99 3h0m n ILE 304 Ca 0.07 0.12 -0.15 0.00 1.00 0.00 0.00 62.75 63.80 3h0m n ILE 304 Cb 0.36 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.31 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 0.17 0.53 1.39 2.04 -1.20 -2.37 117.51 117.54 3h0m h ILE 305 Ca -0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3h0m h ILE 305 Cb 0.77 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3h0m h ILE 305 CO -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.68 3h0m h ALA 306 N -0.19 -0.95 -0.55 1.87 0.00 -1.38 -1.37 119.26 116.69 3h0m h ALA 306 Ca 0.02 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3h0m h ALA 306 Cb 0.68 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3h0m h ALA 306 CO -0.22 -1.06 0.38 -1.00 0.00 0.00 0.00 179.25 177.35 3h0m h PRO 307 N -0.91 0.27 0.61 0.00 0.13 -1.76 0.61 132.00 130.95 3h0m h PRO 307 Ca -0.06 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3h0m h PRO 307 Cb 0.77 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.84 3h0m h PRO 307 CO 0.01 0.18 -0.29 0.77 -0.23 0.00 0.00 178.00 178.44 3h0m h SER 308 N 0.28 -0.69 -0.23 1.44 0.02 -0.84 -0.63 113.55 112.89 3h0m h SER 308 Ca 0.26 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3h0m h SER 308 Cb 0.65 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3h0m h SER 308 CO -0.06 -0.39 0.12 -0.33 -1.14 0.00 0.00 176.83 175.03 3h0m h GLU 309 N -0.99 0.37 -0.47 3.45 5.08 -1.01 -1.62 114.58 119.39 3h0m h GLU 309 Ca -0.08 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3h0m h GLU 309 Cb 0.68 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3h0m h GLU 309 CO 0.14 0.31 -0.18 0.00 -1.00 0.00 0.00 179.01 178.27 3h0m h ALA 310 N 1.76 0.79 -0.12 3.43 0.00 -0.67 0.31 119.26 124.76 3h0m h ALA 310 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3h0m h ALA 310 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h0m h ALA 310 CO -0.01 0.66 -0.18 0.66 0.00 0.00 0.00 179.25 180.38 3h0m h SER 311 N 0.81 0.19 0.15 0.00 4.64 -0.13 -1.74 113.55 117.47 3h0m h SER 311 Ca 0.11 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3h0m h SER 311 Cb 0.73 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3h0m h SER 311 CO 0.06 0.38 -0.07 -1.28 -0.87 0.00 0.00 176.83 175.05 3h0m h SER 312 N 0.18 -0.17 0.36 4.97 0.87 -1.18 -3.18 113.55 115.40 3h0m h SER 312 Ca 0.04 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3h0m h SER 312 Cb 0.43 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3h0m h SER 312 CO 0.03 0.38 0.00 0.78 -0.53 0.00 0.00 176.83 177.48 3h0m h ASN 313 N -0.82 0.00 -0.47 6.23 2.35 -0.79 -2.18 115.58 119.90 3h0m h ASN 313 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3h0m h ASN 313 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3h0m h ASN 313 CO 0.03 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 3h0m n LEU 314 N -2.48 3.33 0.20 1.61 4.32 -0.67 -4.37 117.00 118.95 3h0m n LEU 314 Ca -0.00 -1.81 0.15 0.00 -0.02 0.00 0.00 56.01 54.32 3h0m n LEU 314 Cb 0.13 -0.31 0.63 0.00 -1.62 0.00 0.00 43.42 42.25 3h0m n LEU 314 CO 0.17 0.80 0.93 0.00 -1.22 0.00 0.00 177.39 178.07 3h0m h ALA 315 N 3.37 1.00 0.00 -1.18 0.00 -1.37 -3.13 119.26 117.96 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 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h0m h ALA 315 CO 0.00 0.00 -0.10 2.89 0.00 0.00 0.00 179.25 182.04 3h0m n ARG 316 N -2.63 0.13 -3.02 0.00 1.85 -1.26 -4.61 116.66 107.11 3h0m n ARG 316 Ca 0.01 0.09 -0.44 0.00 -1.00 0.00 0.00 57.85 56.51 3h0m n ARG 316 Cb 0.23 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 29.96 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 -3.05 2.91 0.00 2.89 2.02 -1.18 -4.72 117.35 116.21 3h0m s TYR 317 Ca 0.12 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3h0m s TYR 317 Cb 0.16 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.80 3h0m s TYR 317 CO 0.59 -1.29 0.00 -0.40 -1.57 0.00 0.00 175.55 172.88 3h0m n ASP 318 N 6.77 0.00 0.00 2.29 5.68 -1.26 -4.81 116.55 125.21 3h0m n ASP 318 Ca -0.05 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 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 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.93 1.48 0.08 1.61 0.31 -1.26 -4.77 118.33 112.85 3h0m n VAL 320 Ca 0.00 0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.49 3h0m n VAL 320 Cb 0.00 -2.24 -0.15 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 -4.48 0.60 -3.80 5.55 1.74 -1.26 -5.04 116.66 109.97 3h0m n ARG 321 Ca -0.21 -0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 56.66 3h0m n ARG 321 Cb 0.51 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 -3.36 -0.07 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.07 3h0m s TYR 322 Ca -0.06 -0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 3h0m s TYR 322 Cb 0.13 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.67 3h0m s TYR 322 CO 0.84 -0.96 0.00 0.41 -2.51 0.00 0.00 175.55 173.34 3h0m n GLY 323 N -0.52 0.24 3.77 5.49 0.00 -1.26 -4.30 105.19 108.61 3h0m n GLY 323 Ca -0.05 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 3h0m n GLY 323 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h0m s TYR 324 N 0.00 2.79 -0.03 1.61 5.04 -0.59 -4.89 117.35 121.28 3h0m s TYR 324 Ca 0.00 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3h0m s TYR 324 Cb 0.00 -3.68 0.03 0.00 0.35 0.00 0.00 41.96 38.66 3h0m s TYR 324 CO 0.00 -2.14 0.00 0.50 -1.34 0.00 0.00 175.55 172.58 3h0m s ARG 325 N -2.27 0.28 0.64 4.97 3.52 -1.26 -3.95 118.95 120.89 3h0m s ARG 325 Ca 0.57 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 56.09 3h0m s ARG 325 Cb -0.38 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 3h0m s ARG 325 CO 0.49 -0.14 0.77 0.00 -0.81 0.00 0.00 175.30 175.61 3h0m n ALA 326 N 4.16 -0.55 0.12 6.12 0.00 -1.26 -4.94 120.51 124.15 3h0m n ALA 326 Ca -0.26 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 3h0m n ALA 326 Cb 0.50 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 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 0.10 0.41 -5.11 0.00 1.57 -1.98 -3.46 116.57 108.11 3h0m h LYS 327 Ca -0.47 -0.66 -0.65 0.00 -1.87 0.00 0.00 60.65 57.00 3h0m h LYS 327 Cb 1.37 0.24 -0.26 0.00 0.08 0.00 0.00 32.23 33.65 3h0m h LYS 327 CO 0.47 1.31 -0.72 -1.21 -0.57 0.00 0.00 179.45 178.73 3h0m s GLU 328 N -2.72 3.43 -0.27 3.15 2.02 -1.26 -5.09 118.70 117.96 3h0m s GLU 328 Ca -0.06 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.06 3h0m s GLU 328 Cb 0.06 -2.92 0.09 0.00 0.10 0.00 0.00 34.13 31.46 3h0m s GLU 328 CO 0.91 -0.05 0.87 1.52 0.02 0.00 0.00 175.26 178.53 3h0m s TYR 329 N 1.08 -0.64 -0.22 1.61 1.13 -1.26 -4.86 117.35 114.20 3h0m s TYR 329 Ca 0.01 1.54 0.22 0.00 -1.41 0.00 0.00 57.07 57.44 3h0m s TYR 329 Cb -0.15 0.32 -0.06 0.00 -1.10 0.00 0.00 41.96 40.97 3h0m s TYR 329 CO -0.00 -0.31 0.93 1.63 -2.51 0.00 0.00 175.55 175.28 3h0m n LYS 330 N 2.41 0.60 -3.96 -3.49 5.02 -1.26 -4.94 118.16 112.54 3h0m n LYS 330 Ca -0.13 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 3h0m n LYS 330 Cb 0.55 -1.75 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -5.10 -0.06 0.42 4.39 1.47 -1.26 -5.04 116.67 111.49 3h0m s ASP 331 Ca -0.02 -0.90 0.10 0.00 1.18 0.00 0.00 52.55 52.92 3h0m s ASP 331 Cb 0.11 0.65 0.93 0.00 -0.34 0.00 0.00 42.92 44.27 3h0m s ASP 331 CO 0.81 -1.24 2.02 -0.29 0.68 0.00 0.00 175.17 177.15 3h0m h ILE 332 N 2.16 1.00 0.11 2.11 6.09 -1.99 -0.06 117.51 126.94 3h0m h ILE 332 Ca -0.25 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 3h0m h ILE 332 Cb 1.25 0.46 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3h0m h ILE 332 CO 0.33 0.09 -0.05 0.15 -3.07 0.00 0.00 178.15 175.59 3h0m h PHE 333 N 0.50 -0.14 -0.76 2.19 3.57 -1.99 -0.53 116.94 119.78 3h0m h PHE 333 Ca 0.22 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3h0m h PHE 333 Cb 0.24 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3h0m h PHE 333 CO -0.00 0.01 0.31 0.93 -2.23 0.00 0.00 178.31 177.33 3h0m h GLU 334 N -0.25 1.13 -0.45 1.11 5.08 -1.86 0.48 114.58 119.81 3h0m h GLU 334 Ca -0.01 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3h0m h GLU 334 Cb 0.21 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3h0m h GLU 334 CO 0.02 0.91 0.11 1.98 -1.00 0.00 0.00 179.01 181.04 3h0m h MET 335 N 1.10 0.25 0.95 2.33 4.05 -0.69 -0.22 114.93 122.71 3h0m h MET 335 Ca 0.26 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.61 3h0m h MET 335 Cb 0.20 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3h0m h MET 335 CO -0.02 0.16 -0.46 1.88 0.23 0.00 0.00 176.91 178.71 3h0m h TYR 336 N 0.26 -1.18 0.00 1.39 0.05 -0.51 -1.71 116.97 115.26 3h0m h TYR 336 Ca 0.22 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 3h0m h TYR 336 Cb 0.26 0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 3h0m h TYR 336 CO -0.19 -0.74 -0.30 0.00 -1.05 0.00 0.00 178.16 175.88 3h0m h ALA 337 N -1.40 1.35 0.11 3.88 0.00 -0.76 -2.50 119.26 119.95 3h0m h ALA 337 Ca -0.13 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 3h0m h ALA 337 Cb 0.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3h0m h ALA 337 CO 0.21 0.37 -1.33 0.00 0.00 0.00 0.00 179.25 178.51 3h0m h ARG 338 N 0.00 0.24 -0.93 0.00 3.08 -1.08 -2.30 114.38 113.39 3h0m h ARG 338 Ca -0.00 -0.41 0.19 0.00 0.07 0.00 0.00 59.98 59.82 3h0m h ARG 338 Cb 0.58 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 30.68 3h0m h ARG 338 CO 0.04 1.20 0.51 1.15 -1.07 0.00 0.00 179.97 181.79 3h0m h THR 339 N -0.34 0.65 0.09 2.04 2.02 -1.22 -0.72 112.91 115.43 3h0m h THR 339 Ca -0.28 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 3h0m h THR 339 Cb 1.73 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3h0m h THR 339 CO 0.06 0.11 -0.58 0.03 0.37 0.00 0.00 175.52 175.51 3h0m h ARG 340 N 0.62 0.20 -0.62 6.66 3.08 -1.53 0.13 114.38 122.92 3h0m h ARG 340 Ca 0.54 -0.34 0.05 0.00 0.07 0.00 0.00 59.98 60.31 3h0m h ARG 340 Cb 0.89 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 3h0m h ARG 340 CO -0.42 1.16 0.41 0.22 -1.07 0.00 0.00 179.97 180.28 3h0m h ASP 341 N -0.58 0.58 0.90 7.04 3.58 -1.29 -1.32 116.42 125.33 3h0m h ASP 341 Ca -0.11 -0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 3h0m h ASP 341 Cb 1.44 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.33 3h0m h ASP 341 CO 0.09 0.39 -1.16 -0.33 -2.88 0.00 0.00 179.24 175.35 3h0m h GLU 342 N 0.67 0.00 0.00 0.28 5.08 -1.14 -3.37 114.58 116.09 3h0m h GLU 342 Ca 0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 3h0m h GLU 342 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3h0m h GLU 342 CO -0.08 0.69 -1.43 0.41 -1.00 0.00 0.00 179.01 177.60 3h0m n GLY 343 N 1.39 -1.25 3.78 -3.84 0.00 0.03 -4.87 105.19 100.43 3h0m n GLY 343 Ca -0.06 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3h0m n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 344 N -3.18 3.57 1.17 1.61 0.08 -0.52 -1.90 117.98 118.82 3h0m s PHE 344 Ca -0.03 0.75 -0.17 0.00 0.12 0.00 0.00 56.93 57.60 3h0m s PHE 344 Cb 0.10 -2.30 0.27 0.00 -0.57 0.00 0.00 43.02 40.52 3h0m s PHE 344 CO 0.82 0.42 1.06 0.20 -0.10 0.00 0.00 175.22 177.63 3h0m s GLY 345 N -0.20 1.54 0.16 4.36 0.00 -1.26 -4.80 107.32 107.11 3h0m s GLY 345 Ca 0.20 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.35 3h0m s GLY 345 CO 0.08 0.17 1.36 -0.56 0.00 0.00 0.00 173.10 174.15 3h0m h PRO 346 N -2.53 0.05 -0.35 2.90 0.13 -1.97 -1.05 132.00 129.17 3h0m h PRO 346 Ca -0.51 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 3h0m h PRO 346 Cb 1.32 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3h0m h PRO 346 CO 0.43 0.92 -0.15 1.49 -0.23 0.00 0.00 178.00 180.46 3h0m h GLU 347 N 0.02 0.72 -0.19 0.86 4.57 -1.94 -1.31 114.58 117.30 3h0m h GLU 347 Ca -0.02 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3h0m h GLU 347 Cb 1.59 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 3h0m h GLU 347 CO 0.12 0.91 0.05 0.28 -1.18 0.00 0.00 179.01 179.19 3h0m h VAL 348 N 0.50 0.93 -0.62 0.32 2.07 -1.85 -2.07 116.25 115.52 3h0m h VAL 348 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3h0m h VAL 348 Cb 0.68 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3h0m h VAL 348 CO 0.05 0.02 0.37 0.11 0.02 0.00 0.00 177.57 178.15 3h0m h LYS 349 N 0.13 0.83 -0.68 1.57 1.57 -1.01 -1.36 116.57 117.61 3h0m h LYS 349 Ca 0.08 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3h0m h LYS 349 Cb 0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3h0m h LYS 349 CO -0.10 0.58 0.45 0.00 -0.57 0.00 0.00 179.45 179.81 3h0m h ARG 350 N 0.84 0.89 0.00 3.15 3.08 -0.70 -1.69 114.38 119.95 3h0m h ARG 350 Ca 0.22 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 3h0m h ARG 350 Cb -0.04 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3h0m h ARG 350 CO -0.04 0.59 -0.85 0.00 -1.07 0.00 0.00 179.97 178.60 3h0m h ARG 351 N 0.92 0.00 -0.13 0.04 3.08 -1.02 -2.01 114.38 115.26 3h0m h ARG 351 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3h0m h ARG 351 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h0m h ARG 351 CO -0.06 0.85 0.06 0.82 -1.07 0.00 0.00 179.97 180.57 3h0m h ILE 352 N 0.00 1.14 -0.10 2.04 2.04 -1.11 0.99 117.51 122.52 3h0m h ILE 352 Ca -0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h0m h ILE 352 Cb 1.61 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3h0m h ILE 352 CO 0.11 0.13 0.05 0.24 0.00 0.00 0.00 178.15 178.68 3h0m h MET 353 N 0.07 0.14 -0.42 2.37 2.86 -1.28 -2.09 114.93 116.56 3h0m h MET 353 Ca 0.04 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3h0m h MET 353 Cb 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 3h0m h MET 353 CO -0.00 0.18 0.13 1.25 1.06 0.00 0.00 176.91 179.53 3h0m h LEU 354 N 0.06 0.11 0.32 1.22 5.85 -1.34 -2.66 115.31 118.87 3h0m h LEU 354 Ca 0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h0m h LEU 354 Cb 0.08 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3h0m h LEU 354 CO -0.01 0.10 -0.30 1.23 -0.34 0.00 0.00 178.44 179.12 3h0m h GLY 355 N 0.28 -0.70 2.00 3.75 0.00 -0.56 -0.34 103.07 107.50 3h0m h GLY 355 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3h0m h GLY 355 CO -0.22 -0.27 0.00 -1.30 0.00 0.00 0.00 176.54 174.75 3h0m n THR 356 N -5.42 0.86 -0.06 4.70 -2.24 -0.81 -0.73 114.28 110.58 3h0m n THR 356 Ca -0.09 0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.90 3h0m n THR 356 Cb 0.32 -1.32 -0.13 0.00 -2.10 0.00 0.00 70.33 67.11 3h0m n THR 356 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3h0m h PHE 357 N 0.00 0.02 -0.14 4.78 3.04 -1.12 -3.02 116.94 120.50 3h0m h PHE 357 Ca 0.00 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.98 3h0m h PHE 357 Cb 0.28 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 3h0m h PHE 357 CO 0.00 0.99 0.22 0.00 -2.02 0.00 0.00 178.31 177.51 3h0m h ALA 358 N 0.02 1.62 0.00 2.41 0.00 0.85 -1.26 119.26 122.90 3h0m h ALA 358 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 358 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3h0m h ALA 358 CO 0.01 -0.30 -1.13 1.28 0.00 0.00 0.00 179.25 179.11 3h0m n LEU 359 N -3.50 0.69 -4.78 0.00 4.77 -0.41 -3.60 117.00 110.17 3h0m n LEU 359 Ca 0.01 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.20 3h0m n LEU 359 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3h0m n LEU 359 CO 0.23 0.17 1.08 -0.94 -1.33 0.00 0.00 177.39 176.61 3h0m s SER 360 N -3.13 6.42 0.35 -1.43 1.04 -0.48 -4.57 113.70 111.89 3h0m s SER 360 Ca 0.04 2.93 -0.29 0.00 0.48 0.00 0.00 55.95 59.11 3h0m s SER 360 Cb 0.14 -2.66 -0.11 0.00 0.10 0.00 0.00 66.02 63.49 3h0m s SER 360 CO 0.79 -0.81 1.51 0.00 0.98 0.00 0.00 173.24 175.71 3h0m s ALA 361 N -1.14 3.62 0.00 5.32 0.00 -1.26 -0.50 121.76 127.79 3h0m s ALA 361 Ca 0.53 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3h0m s ALA 361 Cb -0.44 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3h0m s ALA 361 CO 0.59 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3h0m n GLY 362 N 0.94 3.09 0.00 0.00 0.00 -1.26 -4.73 105.19 103.23 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 -0.44 0.00 -0.20 1.61 4.01 -0.35 -4.79 117.16 117.01 3h0m n TYR 363 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3h0m n TYR 363 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.14 3h0m n TYR 363 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3h0m h TYR 364 N 0.00 0.35 -0.46 -0.72 5.03 -0.86 -0.32 116.97 119.98 3h0m h TYR 364 Ca 0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3h0m h TYR 364 Cb 0.00 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 3h0m h TYR 364 CO 0.00 0.07 0.28 -0.44 -1.32 0.00 0.00 178.16 176.74 3h0m h ASP 365 N 0.37 0.56 1.41 -2.11 3.32 -1.86 -0.18 116.42 117.93 3h0m h ASP 365 Ca 0.31 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3h0m h ASP 365 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3h0m h ASP 365 CO -0.33 0.45 -0.44 0.00 -1.72 0.00 0.00 179.24 177.21 3h0m h ALA 366 N 1.13 0.75 -3.00 3.45 0.00 -1.82 -2.26 119.26 117.51 3h0m h ALA 366 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h0m h ALA 366 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h0m h ALA 366 CO -0.03 0.55 0.00 0.66 0.00 0.00 0.00 179.25 180.43 3h0m n TYR 367 N -3.26 0.00 0.03 0.00 4.02 -0.15 -4.51 117.16 113.28 3h0m n TYR 367 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.80 3h0m n TYR 367 Cb 0.67 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.94 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 -0.04 -0.13 -0.72 3.20 -1.43 0.28 116.97 118.12 3h0m h TYR 368 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3h0m h TYR 368 Cb 0.00 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3h0m h TYR 368 CO 0.00 -0.03 0.02 1.25 -1.64 0.00 0.00 178.16 177.76 3h0m h LEU 369 N -0.02 0.21 -0.63 2.82 5.85 -1.24 -1.40 115.31 120.90 3h0m h LEU 369 Ca 0.02 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3h0m h LEU 369 Cb 0.05 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 40.90 3h0m h LEU 369 CO -0.05 0.42 -0.19 0.50 -0.34 0.00 0.00 178.44 178.78 3h0m h LYS 370 N -0.01 -0.04 -0.41 1.25 1.63 -1.25 -1.49 116.57 116.27 3h0m h LYS 370 Ca 0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3h0m h LYS 370 Cb 0.30 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 3h0m h LYS 370 CO 0.00 -0.02 0.19 0.00 -3.45 0.00 0.00 179.45 176.17 3h0m h ALA 371 N 1.52 1.57 0.00 5.00 0.00 -0.62 0.04 119.26 126.76 3h0m h ALA 371 Ca 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3h0m h ALA 371 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h0m h ALA 371 CO -0.66 0.35 -0.19 1.96 0.00 0.00 0.00 179.25 180.71 3h0m h GLN 372 N 0.57 0.00 0.16 0.00 1.08 -0.28 0.74 115.11 117.37 3h0m h GLN 372 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3h0m h GLN 372 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3h0m h GLN 372 CO -0.02 0.19 -0.07 0.87 -0.95 0.00 0.00 178.83 178.84 3h0m h LYS 373 N 0.00 -0.20 -1.03 1.46 1.57 -0.43 -3.16 116.57 114.78 3h0m h LYS 373 Ca -0.00 0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.09 3h0m h LYS 373 Cb 0.95 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 3h0m h LYS 373 CO 0.02 0.08 0.78 0.28 -0.57 0.00 0.00 179.45 180.04 3h0m h VAL 374 N -1.00 0.43 -0.08 0.50 2.07 -0.95 0.19 116.25 117.40 3h0m h VAL 374 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3h0m h VAL 374 Cb 0.37 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3h0m h VAL 374 CO 0.03 0.00 -0.41 -0.09 0.02 0.00 0.00 177.57 177.12 3h0m h ARG 375 N 0.00 0.18 0.02 1.57 2.43 -0.90 -1.78 114.38 115.90 3h0m h ARG 375 Ca 0.49 -0.08 -0.26 0.00 -0.81 0.00 0.00 59.98 59.31 3h0m h ARG 375 Cb 2.04 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.60 3h0m h ARG 375 CO -0.01 0.57 -1.06 -0.09 -1.51 0.00 0.00 179.97 177.87 3h0m h ARG 376 N 0.15 0.62 -0.30 0.20 2.43 -0.60 -2.05 114.38 114.83 3h0m h ARG 376 Ca 0.01 -0.70 0.07 0.00 -0.81 0.00 0.00 59.98 58.55 3h0m h ARG 376 Cb 0.80 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 3h0m h ARG 376 CO 0.06 1.29 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.57 3h0m h LEU 377 N 0.34 -0.55 -0.61 3.80 3.38 -1.19 -0.77 115.31 119.71 3h0m h LEU 377 Ca -0.13 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h0m h LEU 377 Cb 1.71 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 3h0m h LEU 377 CO 0.20 -0.20 0.39 0.40 0.09 0.00 0.00 178.44 179.32 3h0m h ILE 378 N -0.13 1.16 -1.00 1.22 2.04 -1.34 -0.86 117.51 118.61 3h0m h ILE 378 Ca 0.16 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3h0m h ILE 378 Cb 0.37 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 3h0m h ILE 378 CO -0.38 0.16 0.66 0.74 0.00 0.00 0.00 178.15 179.34 3h0m h THR 379 N 0.83 1.24 -0.32 -0.27 2.02 -1.11 -2.83 112.91 112.47 3h0m h THR 379 Ca 0.22 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.83 3h0m h THR 379 Cb -0.07 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.12 3h0m h THR 379 CO -0.05 0.24 -0.25 0.78 0.37 0.00 0.00 175.52 176.62 3h0m h ASN 380 N 1.33 0.77 -0.85 4.18 2.35 -0.12 -1.76 115.58 121.49 3h0m h ASN 380 Ca 0.37 -0.45 0.15 0.00 -0.55 0.00 0.00 56.30 55.83 3h0m h ASN 380 Cb -0.12 -0.22 -0.15 0.00 0.05 0.00 0.00 38.32 37.88 3h0m h ASN 380 CO -0.09 1.06 -0.29 0.44 -1.65 0.00 0.00 177.43 176.90 3h0m h ASP 381 N 0.50 -1.06 -0.08 5.81 5.19 -0.99 -0.63 116.42 125.16 3h0m h ASP 381 Ca 0.06 0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 3h0m h ASP 381 Cb 0.81 0.61 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 3h0m h ASP 381 CO 0.07 -0.29 0.01 -0.26 -3.12 0.00 0.00 179.24 175.65 3h0m h PHE 382 N -0.03 0.15 -0.73 4.55 0.04 -1.13 -0.84 116.94 118.94 3h0m h PHE 382 Ca 0.36 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.18 3h0m h PHE 382 Cb 0.61 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 3h0m h PHE 382 CO -0.73 0.35 0.48 -0.07 -0.60 0.00 0.00 178.31 177.75 3h0m h LEU 383 N -0.10 0.65 -0.01 1.54 3.38 -0.77 0.21 115.31 120.20 3h0m h LEU 383 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3h0m h LEU 383 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h0m h LEU 383 CO 0.00 0.41 -0.03 0.50 0.09 0.00 0.00 178.44 179.42 3h0m h LYS 384 N 0.73 0.04 -0.66 1.13 3.64 -0.87 -3.15 116.57 117.43 3h0m h LYS 384 Ca 0.32 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.79 3h0m h LYS 384 Cb 0.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3h0m h LYS 384 CO -0.11 0.61 0.44 0.00 -2.27 0.00 0.00 179.45 178.12 3h0m h ALA 385 N 0.43 2.06 0.00 5.00 0.00 -0.57 -0.12 119.26 126.06 3h0m h ALA 385 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0m h ALA 385 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h0m h ALA 385 CO 0.01 -0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.23 3h0m n PHE 386 N -4.47 0.00 0.10 0.00 3.72 0.68 -2.22 117.46 115.27 3h0m n PHE 386 Ca 0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.46 3h0m n PHE 386 Cb 0.44 -0.19 0.06 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.12 0.00 -1.08 5.08 -0.99 -3.35 114.58 114.36 3h0m h GLU 387 Ca 0.00 -0.11 -0.35 0.00 -1.00 0.00 0.00 59.36 57.90 3h0m h GLU 387 Cb 0.14 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3h0m h GLU 387 CO 0.00 0.82 -2.25 0.39 -1.00 0.00 0.00 179.01 176.96 3h0m n GLU 388 N -3.71 0.68 -4.37 2.33 1.02 -0.94 -5.04 120.64 110.61 3h0m n GLU 388 Ca -0.02 0.06 -0.19 0.00 -0.02 0.00 0.00 57.16 56.99 3h0m n GLU 388 Cb 0.73 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.51 0.99 -0.20 2.62 -7.23 -0.94 -4.97 120.40 108.15 3h0m s VAL 389 Ca -0.10 -2.02 0.17 0.00 -1.81 0.00 0.00 61.98 58.22 3h0m s VAL 389 Cb 0.06 -2.58 -0.24 0.00 0.56 0.00 0.00 36.38 34.19 3h0m s VAL 389 CO 0.82 -0.13 0.05 0.47 -0.31 0.00 0.00 175.10 176.00 3h0m n ASP 390 N -0.53 0.25 -3.92 4.85 8.00 -0.50 -4.47 116.55 120.23 3h0m n ASP 390 Ca -0.03 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 3h0m n ASP 390 Cb 0.65 0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 42.57 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 -2.48 0.16 -0.09 2.53 -7.23 -1.01 -4.37 120.40 107.92 3h0m s VAL 391 Ca -0.11 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3h0m s VAL 391 Cb 0.06 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.62 3h0m s VAL 391 CO 0.79 -0.74 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.98 3h0m s ILE 392 N -3.85 2.01 0.07 -0.62 1.01 -0.18 -1.45 121.20 118.20 3h0m s ILE 392 Ca 0.05 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.79 3h0m s ILE 392 Cb 0.06 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3h0m s ILE 392 CO -0.11 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.17 3h0m s ALA 393 N 0.32 2.52 0.28 9.38 0.00 -0.72 -0.18 121.76 133.36 3h0m s ALA 393 Ca -0.18 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.29 3h0m s ALA 393 Cb -0.18 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.38 3h0m s ALA 393 CO 0.08 0.56 0.81 -1.54 0.00 0.00 0.00 175.76 175.68 3h0m s SER 394 N -1.67 -0.14 0.64 0.00 1.04 -0.82 -4.55 113.70 108.20 3h0m s SER 394 Ca 0.15 -0.75 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 3h0m s SER 394 Cb -0.10 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 3h0m s SER 394 CO 0.06 -1.35 1.24 -2.65 0.98 0.00 0.00 173.24 171.52 3h0m n PRO 395 N -0.51 1.11 0.11 4.02 -0.02 -1.26 0.26 135.00 138.71 3h0m n PRO 395 Ca -0.06 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3h0m n PRO 395 Cb 0.60 -2.47 0.10 0.00 -0.02 0.00 0.00 33.50 31.71 3h0m n PRO 395 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3h0m h THR 396 N 0.57 1.48 -3.56 3.45 2.02 -1.57 -3.41 112.91 111.89 3h0m h THR 396 Ca -0.51 -2.34 -0.20 0.00 0.77 0.00 0.00 66.41 64.14 3h0m h THR 396 Cb 1.34 2.26 -0.26 0.00 -1.74 0.00 0.00 68.15 69.75 3h0m h THR 396 CO 0.53 0.67 -0.61 -0.89 0.37 0.00 0.00 175.52 175.59 3h0m s THR 397 N -3.46 0.02 0.32 3.16 2.01 -1.26 -4.45 115.64 111.97 3h0m s THR 397 Ca -0.02 -0.16 0.33 0.00 0.31 0.00 0.00 61.69 62.16 3h0m s THR 397 Cb 0.12 -0.18 0.36 0.00 0.01 0.00 0.00 72.50 72.81 3h0m s THR 397 CO 0.78 -0.09 2.07 1.55 -0.69 0.00 0.00 174.62 178.25 3h0m h PRO 398 N 5.70 0.00 -4.96 4.92 0.13 -1.88 -3.46 132.00 132.45 3h0m h PRO 398 Ca -0.26 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.44 0.06 -0.63 0.95 -0.23 0.00 0.00 178.00 178.60 3h0m s THR 399 N -3.92 0.76 0.65 1.56 -4.23 -1.26 -0.68 115.64 108.51 3h0m s THR 399 Ca -0.01 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 3h0m s THR 399 Cb 0.11 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 3h0m s THR 399 CO 0.54 -0.14 1.10 -0.76 -0.54 0.00 0.00 174.62 174.82 3h0m s LEU 400 N -3.32 3.40 -0.36 4.79 1.43 -1.26 -4.96 118.68 118.40 3h0m s LEU 400 Ca 0.34 1.94 -0.41 0.00 -1.03 0.00 0.00 54.13 54.97 3h0m s LEU 400 Cb 0.07 -4.54 -0.18 0.00 0.03 0.00 0.00 46.19 41.57 3h0m s LEU 400 CO 0.11 -1.53 1.34 -2.65 0.23 0.00 0.00 176.35 173.86 3h0m n PRO 401 N -2.38 0.00 -2.62 1.29 -0.02 -1.26 -4.94 135.00 125.06 3h0m n PRO 401 Ca 0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 3h0m n PRO 401 Cb 0.52 -1.34 0.08 0.00 -0.02 0.00 0.00 33.50 32.74 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 2.19 2.03 0.34 6.00 -0.12 -1.26 -4.84 117.98 122.32 3h0m s PHE 402 Ca 0.91 -0.20 -0.10 0.00 -0.05 0.00 0.00 56.93 57.49 3h0m s PHE 402 Cb -1.30 -2.87 -0.07 0.00 -0.63 0.00 0.00 43.02 38.16 3h0m s PHE 402 CO 0.69 -1.39 0.68 0.15 -0.05 0.00 0.00 175.22 175.31 3h0m s LYS 403 N -4.99 3.79 0.38 1.99 1.02 -1.26 -1.53 119.74 119.15 3h0m s LYS 403 Ca 0.63 0.38 -0.26 0.00 0.02 0.00 0.00 55.97 56.74 3h0m s LYS 403 Cb -0.07 -2.49 -0.12 0.00 -0.52 0.00 0.00 37.83 34.63 3h0m s LYS 403 CO 0.42 0.11 1.06 1.19 -0.92 0.00 0.00 175.35 177.20 3h0m n PHE 404 N -0.86 1.38 -0.39 3.18 3.72 -1.20 -1.98 117.46 121.31 3h0m n PHE 404 Ca 0.01 0.59 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 3h0m n PHE 404 Cb 0.54 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 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 1.12 1.82 0.14 1.37 0.00 -1.26 -4.86 105.19 103.51 3h0m n GLY 405 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3h0m n GLY 405 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h0m h GLU 406 N 2.05 0.00 0.00 1.61 4.81 -1.80 -3.29 114.58 117.96 3h0m h GLU 406 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3h0m h GLU 406 Cb 0.00 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 3h0m h GLU 406 CO 0.00 0.58 -0.58 0.54 -0.73 0.00 0.00 179.01 178.81 3h0m n ARG 407 N -3.38 1.06 -0.01 1.92 1.74 -1.26 -4.64 116.66 112.09 3h0m n ARG 407 Ca 0.01 -2.77 0.10 0.00 -0.77 0.00 0.00 57.85 54.41 3h0m n ARG 407 Cb 0.70 -1.13 -0.15 0.00 -1.02 0.00 0.00 32.46 30.87 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 -0.68 0.10 0.00 0.55 4.77 -1.24 -3.91 117.00 116.59 3h0m n LEU 408 Ca 0.14 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3h0m n LEU 408 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3h0m n LEU 408 CO -0.03 0.02 0.48 1.21 -1.33 0.00 0.00 177.39 177.74 3h0m n GLU 409 N -2.09 0.00 -3.50 3.23 2.13 -1.26 -4.49 120.64 114.66 3h0m n GLU 409 Ca -0.03 0.47 -0.38 0.00 0.66 0.00 0.00 57.16 57.88 3h0m n GLU 409 Cb 0.48 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.63 3h0m n GLU 409 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3h0m s ASN 410 N -2.01 6.22 0.53 4.31 2.47 -1.26 -4.98 114.94 120.22 3h0m s ASN 410 Ca 0.00 0.24 0.23 0.00 0.42 0.00 0.00 52.86 53.75 3h0m s ASN 410 Cb 0.00 -2.17 1.37 0.00 -1.45 0.00 0.00 41.25 39.00 3h0m s ASN 410 CO 0.00 -0.07 2.05 -0.65 -3.72 0.00 0.00 177.10 174.71 3h0m h PRO 411 N 7.84 0.00 -0.99 0.43 0.11 -1.83 -1.22 132.00 136.35 3h0m h PRO 411 Ca -0.35 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.85 3h0m h PRO 411 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3h0m h PRO 411 CO 0.65 0.00 0.63 0.82 -0.21 0.00 0.00 178.00 179.89 3h0m h ILE 412 N 0.00 1.01 0.00 4.15 2.04 -1.93 -0.73 117.51 122.05 3h0m h ILE 412 Ca 0.17 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3h0m h ILE 412 Cb 0.67 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3h0m h ILE 412 CO -0.00 0.19 -0.00 -0.33 0.00 0.00 0.00 178.15 178.01 3h0m h GLU 413 N 1.07 0.00 -0.15 2.37 5.08 -1.51 -0.71 114.58 120.72 3h0m h GLU 413 Ca 0.45 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.59 3h0m h GLU 413 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3h0m h GLU 413 CO -0.20 0.00 -0.76 1.98 -1.00 0.00 0.00 179.01 179.02 3h0m h MET 414 N 0.00 0.75 -0.77 2.33 4.05 -1.22 -3.28 114.93 116.79 3h0m h MET 414 Ca -0.00 -0.60 -0.05 0.00 -0.28 0.00 0.00 59.70 58.76 3h0m h MET 414 Cb 0.00 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3h0m h MET 414 CO 0.00 1.22 0.28 1.88 0.23 0.00 0.00 176.91 180.51 3h0m h TYR 415 N 0.51 1.20 0.00 1.39 0.05 -0.96 -2.72 116.97 116.44 3h0m h TYR 415 Ca -0.05 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.63 3h0m h TYR 415 Cb 1.39 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.77 3h0m h TYR 415 CO 0.08 0.93 0.02 1.28 -1.05 0.00 0.00 178.16 179.41 3h0m n LEU 416 N -4.27 0.00 0.26 3.88 4.77 -0.85 -0.87 117.00 119.92 3h0m n LEU 416 Ca 0.07 0.46 0.17 0.00 -0.03 0.00 0.00 56.01 56.67 3h0m n LEU 416 Cb 0.21 -0.46 0.69 0.00 -2.33 0.00 0.00 43.42 41.53 3h0m n LEU 416 CO 0.41 -0.46 0.99 0.28 -1.33 0.00 0.00 177.39 177.28 3h0m h SER 417 N 0.00 0.00 -0.03 -1.43 0.02 -1.62 -3.26 113.55 107.23 3h0m h SER 417 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h0m h SER 417 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3h0m h SER 417 CO 0.00 0.00 -0.07 0.47 -1.14 0.00 0.00 176.83 176.09 3h0m n ASP 418 N -2.96 2.80 -0.03 3.07 8.00 -0.05 -4.59 116.55 122.78 3h0m n ASP 418 Ca 0.01 -1.90 0.24 0.00 0.71 0.00 0.00 54.79 53.85 3h0m n ASP 418 Cb 0.28 0.08 0.70 0.00 -0.02 0.00 0.00 41.12 42.15 3h0m n ASP 418 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3h0m h ILE 419 N 4.24 0.33 -0.02 0.53 3.07 -1.72 0.28 117.51 124.22 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 0.94 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 3h0m h ILE 419 CO 0.00 0.00 -0.14 0.18 -1.05 0.00 0.00 178.15 177.14 3h0m n LEU 420 N -3.73 1.96 -0.07 0.16 4.77 -1.26 -4.59 117.00 114.24 3h0m n LEU 420 Ca 0.13 -0.90 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 3h0m n LEU 420 Cb 0.87 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.87 3h0m n LEU 420 CO 0.29 0.36 -0.93 0.35 -1.33 0.00 0.00 177.39 176.13 3h0m n THR 421 N 0.42 0.83 -0.04 -5.08 -2.24 0.91 -4.66 114.28 104.43 3h0m n THR 421 Ca 0.08 -0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 3h0m n THR 421 Cb 0.36 -0.83 0.16 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.26 -1.00 2.28 -1.51 -1.43 -3.10 116.25 112.76 3h0m h VAL 422 Ca -0.33 -1.24 0.22 0.00 -1.23 0.00 0.00 66.70 64.13 3h0m h VAL 422 Cb 1.64 1.22 -0.10 0.00 -2.13 0.00 0.00 31.29 31.92 3h0m h VAL 422 CO -0.01 0.41 0.63 -0.65 -1.23 0.00 0.00 177.57 176.71 3h0m h PRO 423 N 0.56 0.54 -0.11 5.19 0.11 -1.84 -1.48 132.00 134.97 3h0m h PRO 423 Ca 0.09 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3h0m h PRO 423 Cb 0.65 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3h0m h PRO 423 CO 0.05 0.36 -0.37 0.00 -0.21 0.00 0.00 178.00 177.82 3h0m h ALA 424 N 1.64 1.18 -0.15 -0.75 0.00 -1.86 -2.19 119.26 117.12 3h0m h ALA 424 Ca 0.57 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3h0m h ALA 424 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h0m h ALA 424 CO -0.33 0.55 -0.48 -0.91 0.00 0.00 0.00 179.25 178.09 3h0m h ASN 425 N 0.19 0.69 -0.53 0.00 4.21 -1.44 0.19 115.58 118.88 3h0m h ASN 425 Ca 0.02 -0.60 0.06 0.00 1.21 0.00 0.00 56.30 57.00 3h0m h ASN 425 Cb 0.75 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.69 3h0m h ASN 425 CO 0.06 1.16 0.24 -0.07 -1.29 0.00 0.00 177.43 177.53 3h0m h LEU 426 N 0.25 0.31 -0.44 1.61 3.38 -1.25 -1.62 115.31 117.55 3h0m h LEU 426 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h0m h LEU 426 Cb 1.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3h0m h LEU 426 CO 0.10 0.21 -0.01 0.00 0.09 0.00 0.00 178.44 178.83 3h0m n ALA 427 N -2.37 2.65 -1.53 1.53 0.00 -0.84 -4.87 120.51 115.07 3h0m n ALA 427 Ca 0.06 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 3h0m n ALA 427 Cb 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 3h0m n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0m n GLY 428 N 1.10 1.29 3.87 0.00 0.00 -0.61 -4.98 105.19 105.85 3h0m n GLY 428 Ca 0.21 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.44 3.98 0.50 0.99 1.43 0.61 -1.72 118.68 121.02 3h0m s LEU 429 Ca 0.00 1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 54.05 3h0m s LEU 429 Cb 0.00 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.17 3h0m s LEU 429 CO 0.00 -0.27 1.04 -2.16 0.23 0.00 0.00 176.35 175.20 3h0m s PRO 430 N -3.34 3.74 -0.19 1.29 0.04 -1.26 -4.60 135.00 130.69 3h0m s PRO 430 Ca 0.52 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 3h0m s PRO 430 Cb -0.10 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.40 3h0m s PRO 430 CO 0.24 -0.48 0.48 0.00 0.04 0.00 0.00 177.00 177.28 3h0m s ALA 431 N -2.03 -1.22 0.03 8.56 0.00 -0.37 -1.65 121.76 125.09 3h0m s ALA 431 Ca 0.67 1.52 0.09 0.00 0.00 0.00 0.00 51.96 54.24 3h0m s ALA 431 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3h0m s ALA 431 CO 0.22 -0.25 -0.26 -1.50 0.00 0.00 0.00 175.76 173.96 3h0m s ILE 432 N 0.72 2.12 -0.16 0.00 2.07 -0.41 -1.58 121.20 123.96 3h0m s ILE 432 Ca -0.04 -1.34 -0.02 0.00 -1.41 0.00 0.00 60.65 57.84 3h0m s ILE 432 Cb -0.05 -1.80 -0.02 0.00 0.13 0.00 0.00 42.46 40.72 3h0m s ILE 432 CO -0.05 0.40 -0.08 -0.55 -1.91 0.00 0.00 174.94 172.75 3h0m s SER 433 N -1.13 4.31 -0.02 4.50 0.15 -0.04 -1.51 113.70 119.97 3h0m s SER 433 Ca 0.11 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.53 3h0m s SER 433 Cb -0.10 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3h0m s SER 433 CO 0.02 0.11 -0.18 -0.63 1.20 0.00 0.00 173.24 173.76 3h0m s ILE 434 N 0.69 1.43 0.02 6.45 1.09 0.38 -1.78 121.20 129.48 3h0m s ILE 434 Ca -0.04 -0.77 -0.30 0.00 -1.10 0.00 0.00 60.65 58.44 3h0m s ILE 434 Cb -0.15 -1.19 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 3h0m s ILE 434 CO 0.02 0.41 1.08 -2.16 -0.10 0.00 0.00 174.94 174.19 3h0m s PRO 435 N -0.38 4.49 -0.01 2.79 0.05 -1.26 0.82 135.00 141.51 3h0m s PRO 435 Ca 0.06 1.57 0.03 0.00 0.05 0.00 0.00 61.00 62.71 3h0m s PRO 435 Cb -0.07 -3.43 -0.05 0.00 0.05 0.00 0.00 34.50 31.00 3h0m s PRO 435 CO -0.00 -0.17 0.06 0.44 0.05 0.00 0.00 177.00 177.38 3h0m n ILE 436 N 3.99 0.03 -3.80 0.56 -5.35 0.82 -4.85 119.36 110.76 3h0m n ILE 436 Ca 0.08 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.43 3h0m n ILE 436 Cb 0.49 0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.20 -1.52 -0.11 -1.28 0.00 -1.21 -4.88 121.76 110.56 3h0m s ALA 437 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3h0m s ALA 437 Cb 0.02 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3h0m s ALA 437 CO 0.13 -1.04 -0.18 -1.58 0.00 0.00 0.00 175.76 173.09 3h0m s TRP 438 N -3.04 2.21 -0.14 0.00 0.52 -1.26 -1.60 118.94 115.62 3h0m s TRP 438 Ca 0.14 -1.04 -0.01 0.00 0.02 0.00 0.00 56.10 55.21 3h0m s TRP 438 Cb -0.02 -1.55 0.04 0.00 -1.15 0.00 0.00 33.47 30.79 3h0m s TRP 438 CO 0.04 -0.50 -0.02 0.15 0.02 0.00 0.00 176.95 176.64 3h0m s LYS 439 N 0.86 1.06 -1.59 4.98 -0.14 0.20 -4.68 119.74 120.42 3h0m s LYS 439 Ca -0.08 -0.30 -0.04 0.00 -1.36 0.00 0.00 55.97 54.19 3h0m s LYS 439 Cb -0.15 -1.70 0.01 0.00 -1.68 0.00 0.00 37.83 34.30 3h0m s LYS 439 CO -0.00 -0.42 0.48 -0.25 -0.76 0.00 0.00 175.35 174.39 3h0m n ASP 440 N 4.99 -5.99 0.00 2.83 8.00 -1.26 -2.44 116.55 122.68 3h0m n ASP 440 Ca -0.10 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.17 3h0m n ASP 440 Cb 0.48 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 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 -1.41 1.00 3.41 0.44 0.00 -1.26 -5.04 105.19 102.33 3h0m n GLY 441 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3h0m n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0m s LEU 442 N 0.00 2.53 0.64 0.99 1.43 -1.02 -4.90 118.68 118.35 3h0m s LEU 442 Ca 0.00 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 3h0m s LEU 442 Cb 0.00 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3h0m s LEU 442 CO 0.00 0.31 1.22 -2.84 0.23 0.00 0.00 176.35 175.27 3h0m s PRO 443 N -0.54 2.68 -0.06 1.29 0.02 -1.26 -0.63 135.00 136.50 3h0m s PRO 443 Ca 0.07 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.94 3h0m s PRO 443 Cb -0.11 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3h0m s PRO 443 CO 0.01 -1.44 -0.08 0.08 -0.33 0.00 0.00 177.00 175.24 3h0m s VAL 444 N -1.70 0.82 -0.15 3.83 1.01 -0.63 -4.64 120.40 118.96 3h0m s VAL 444 Ca 0.77 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 3h0m s VAL 444 Cb -0.31 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3h0m s VAL 444 CO 0.38 0.29 0.12 -0.83 0.00 0.00 0.00 175.10 175.05 3h0m s GLY 445 N 0.83 2.08 -0.13 4.51 0.00 -1.26 -0.13 107.32 113.22 3h0m s GLY 445 Ca -0.12 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 3h0m s GLY 445 CO 0.02 -0.21 0.16 -0.32 0.00 0.00 0.00 173.10 172.74 3h0m s GLY 446 N -0.49 2.16 -0.09 0.20 0.00 0.24 -1.57 107.32 107.77 3h0m s GLY 446 Ca 0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 3h0m s GLY 446 CO 0.02 -0.26 -0.03 1.62 0.00 0.00 0.00 173.10 174.45 3h0m s GLN 447 N -0.80 3.04 -0.12 2.90 0.74 0.14 -0.47 119.66 125.09 3h0m s GLN 447 Ca 0.14 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 55.10 3h0m s GLN 447 Cb -0.12 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.25 3h0m s GLN 447 CO 0.04 0.60 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.71 3h0m s LEU 448 N -0.62 1.78 -0.21 3.68 1.43 -0.57 -1.95 118.68 122.21 3h0m s LEU 448 Ca 0.10 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3h0m s LEU 448 Cb -0.12 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3h0m s LEU 448 CO 0.02 0.02 0.09 -0.63 0.23 0.00 0.00 176.35 176.08 3h0m s ILE 449 N 0.99 4.86 0.49 -0.59 1.01 0.75 -1.29 121.20 127.41 3h0m s ILE 449 Ca -0.06 -0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.67 3h0m s ILE 449 Cb -0.15 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.12 3h0m s ILE 449 CO -0.02 0.40 0.51 -0.83 0.00 0.00 0.00 174.94 175.00 3h0m s GLY 450 N 0.86 2.08 0.62 6.18 0.00 -0.66 -1.01 107.32 115.39 3h0m s GLY 450 Ca 0.05 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 42.85 3h0m s GLY 450 CO 0.03 -1.73 1.08 0.54 0.00 0.00 0.00 173.10 173.01 3h0m s LYS 451 N -4.33 3.11 -0.01 2.90 1.02 -1.26 -4.12 119.74 117.05 3h0m s LYS 451 Ca 0.49 1.29 -0.38 0.00 0.02 0.00 0.00 55.97 57.39 3h0m s LYS 451 Cb -0.04 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.10 3h0m s LYS 451 CO 0.29 -0.99 1.44 0.72 -0.92 0.00 0.00 175.35 175.90 3h0m n HIS 452 N -2.17 1.64 -1.00 3.18 8.25 -1.26 -0.80 115.22 123.06 3h0m n HIS 452 Ca 0.09 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 3h0m n HIS 452 Cb 0.52 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.27 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 3.26 0.00 -1.83 4.41 7.02 -1.26 -4.93 117.44 124.11 3h0m n TRP 453 Ca 0.21 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.31 3h0m n TRP 453 Cb 0.17 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.00 7.36 0.20 -0.99 2.03 0.02 -4.59 116.55 120.58 3h0m n ASP 454 Ca 0.00 -3.82 0.05 0.00 0.52 0.00 0.00 54.79 51.54 3h0m n ASP 454 Cb 0.00 -1.00 0.43 0.00 -0.72 0.00 0.00 41.12 39.83 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 2.74 0.00 -0.22 -0.67 3.07 -1.92 -3.12 114.58 114.47 3h0m h GLU 455 Ca 0.56 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.48 3h0m h GLU 455 Cb 0.27 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 3h0m h GLU 455 CO 1.43 0.32 -0.33 1.15 -1.40 0.00 0.00 179.01 180.17 3h0m h THR 456 N 0.00 0.26 -0.19 1.13 2.02 -1.98 -0.26 112.91 113.88 3h0m h THR 456 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3h0m h THR 456 Cb 0.65 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3h0m h THR 456 CO 0.04 0.00 0.10 0.74 0.37 0.00 0.00 175.52 176.77 3h0m h THR 457 N -0.36 1.12 -0.93 3.16 2.02 -1.93 0.31 112.91 116.29 3h0m h THR 457 Ca 0.12 -0.32 0.17 0.00 0.77 0.00 0.00 66.41 67.14 3h0m h THR 457 Cb 0.55 0.98 -0.10 0.00 -1.74 0.00 0.00 68.15 67.84 3h0m h THR 457 CO -0.41 0.11 0.53 -0.07 0.37 0.00 0.00 175.52 176.04 3h0m h LEU 458 N 0.20 0.67 -0.20 2.58 4.07 -1.55 -0.99 115.31 120.09 3h0m h LEU 458 Ca 0.07 0.09 -0.18 0.00 0.08 0.00 0.00 57.88 57.94 3h0m h LEU 458 Cb 0.09 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.81 3h0m h LEU 458 CO -0.01 0.26 -0.59 -0.07 -1.08 0.00 0.00 178.44 176.95 3h0m h LEU 459 N 0.71 0.86 0.12 1.67 3.38 0.29 -2.59 115.31 119.75 3h0m h LEU 459 Ca 0.52 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3h0m h LEU 459 Cb 0.76 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3h0m h LEU 459 CO -0.37 1.30 -0.13 1.56 0.09 0.00 0.00 178.44 180.89 3h0m h GLN 460 N 0.47 -0.28 -0.42 1.13 4.20 0.42 0.09 115.11 120.72 3h0m h GLN 460 Ca -0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h0m h GLN 460 Cb 1.21 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3h0m h GLN 460 CO 0.13 -0.18 0.27 0.82 -0.67 0.00 0.00 178.83 179.19 3h0m h ILE 461 N -0.29 1.11 -0.64 2.54 2.04 -1.27 -0.41 117.51 120.59 3h0m h ILE 461 Ca 0.01 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3h0m h ILE 461 Cb 0.28 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3h0m h ILE 461 CO -0.04 0.11 0.06 -1.28 0.00 0.00 0.00 178.15 177.00 3h0m h SER 462 N 0.56 1.05 -0.51 1.72 0.87 -0.96 -0.29 113.55 115.99 3h0m h SER 462 Ca 0.15 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 3h0m h SER 462 Cb -0.06 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 3h0m h SER 462 CO -0.03 1.07 0.00 0.22 -0.53 0.00 0.00 176.83 177.56 3h0m h TYR 463 N 1.01 0.98 -0.54 2.24 3.20 0.13 -2.30 116.97 121.69 3h0m h TYR 463 Ca 0.19 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3h0m h TYR 463 Cb 0.49 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3h0m h TYR 463 CO 0.04 0.91 0.16 1.25 -1.64 0.00 0.00 178.16 178.87 3h0m h LEU 464 N 0.77 0.81 -1.18 2.82 5.85 -0.94 -3.02 115.31 120.41 3h0m h LEU 464 Ca 0.15 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3h0m h LEU 464 Cb 0.52 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3h0m h LEU 464 CO 0.03 0.81 0.13 -0.25 -0.34 0.00 0.00 178.44 178.82 3h0m h TRP 465 N 0.76 0.72 0.00 1.25 2.91 -0.91 -2.66 115.95 118.02 3h0m h TRP 465 Ca 0.17 -0.05 -0.10 0.00 1.13 0.00 0.00 58.89 60.04 3h0m h TRP 465 Cb 0.30 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 3h0m h TRP 465 CO 0.02 0.60 -0.48 1.05 -1.03 0.00 0.00 178.44 178.60 3h0m h GLU 466 N 0.69 0.00 -0.19 2.65 4.11 -1.30 0.16 114.58 120.70 3h0m h GLU 466 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.59 3h0m h GLU 466 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3h0m h GLU 466 CO -0.01 0.48 0.11 1.96 0.07 0.00 0.00 179.01 181.63 3h0m h GLN 467 N 0.00 0.26 -0.13 1.06 1.08 -1.36 -2.65 115.11 113.36 3h0m h GLN 467 Ca -0.00 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 3h0m h GLN 467 Cb 0.91 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3h0m h GLN 467 CO 0.06 0.23 -0.52 0.87 -0.95 0.00 0.00 178.83 178.52 3h0m h LYS 468 N 0.22 0.37 -2.96 1.46 1.57 -1.34 -3.42 116.57 112.47 3h0m h LYS 468 Ca 0.07 -0.22 -0.53 0.00 -1.87 0.00 0.00 60.65 58.09 3h0m h LYS 468 Cb 0.04 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 31.97 3h0m h LYS 468 CO -0.01 0.80 -0.77 0.12 -0.57 0.00 0.00 179.45 179.02 3h0m s PHE 469 N -3.97 0.56 -1.32 -1.35 5.36 0.52 -5.06 117.98 112.73 3h0m s PHE 469 Ca -0.05 -0.97 -0.12 0.00 -0.96 0.00 0.00 56.93 54.82 3h0m s PHE 469 Cb 0.12 -1.02 0.13 0.00 -0.34 0.00 0.00 43.02 41.91 3h0m s PHE 469 CO 0.81 -0.80 1.89 1.63 -1.46 0.00 0.00 175.22 177.28 3h0m n LYS 470 N 5.18 3.36 0.20 10.12 5.02 -1.05 -4.17 118.16 136.82 3h0m n LYS 470 Ca -0.06 -3.32 0.15 0.00 -2.02 0.00 0.00 58.31 53.06 3h0m n LYS 470 Cb 0.43 -3.08 0.62 0.00 -0.02 0.00 0.00 35.03 32.98 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 6.16 0.00 0.00 2.13 2.07 -1.91 -2.78 115.15 120.82 3h0m h HIS 471 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3h0m h HIS 471 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 3h0m h HIS 471 CO 1.30 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.64 3h0m n TYR 472 N -2.62 0.27 0.10 6.12 0.18 -1.26 -2.29 117.16 117.66 3h0m n TYR 472 Ca 0.01 0.10 0.07 0.00 1.88 0.00 0.00 57.90 59.96 3h0m n TYR 472 Cb 0.23 -0.66 0.00 0.00 -0.38 0.00 0.00 39.34 38.54 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 -6.23 -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 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3h0m h GLU 473 CO 0.00 0.15 1.19 0.15 -1.00 0.00 0.00 179.01 179.50 3h0m s LYS 474 N -3.16 3.01 -0.20 2.33 -0.14 -0.97 -4.97 119.74 115.64 3h0m s LYS 474 Ca 0.00 0.32 -0.03 0.00 -1.36 0.00 0.00 55.97 54.90 3h0m s LYS 474 Cb 0.08 -4.24 -0.01 0.00 -1.68 0.00 0.00 37.83 31.98 3h0m s LYS 474 CO 0.77 -2.30 -0.06 0.42 -0.76 0.00 0.00 175.35 173.42 3h0m s ILE 475 N 7.12 3.35 0.90 2.17 1.01 -1.26 -5.06 121.20 129.43 3h0m s ILE 475 Ca 0.53 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 3h0m s ILE 475 Cb -0.11 -2.50 0.17 0.00 0.01 0.00 0.00 42.46 40.03 3h0m s ILE 475 CO 0.20 0.44 1.24 -2.16 0.00 0.00 0.00 174.94 174.67 3h0m s PRO 476 N 1.23 1.00 -1.41 2.79 0.04 -1.26 -4.35 135.00 133.04 3h0m s PRO 476 Ca 0.03 -0.47 -0.05 0.00 0.04 0.00 0.00 61.00 60.55 3h0m s PRO 476 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3h0m s PRO 476 CO -0.02 -2.13 0.33 1.28 0.04 0.00 0.00 177.00 176.50 3h0m n LEU 477 N -3.54 -1.64 0.00 -3.56 4.77 -1.26 -4.90 117.00 106.87 3h0m n LEU 477 Ca 0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 3h0m n LEU 477 Cb 0.60 -1.96 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 3h0m n LEU 477 CO 0.47 0.49 0.00 0.35 -1.33 0.00 0.00 177.39 177.36