#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0r n LEU 2 N 0.00 0.00 0.17 -0.89 7.94 -1.26 -4.17 117.00 118.79 3h0r n LEU 2 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3h0r n LEU 2 Cb 0.00 0.00 0.58 0.00 0.53 0.00 0.00 43.42 44.53 3h0r n LEU 2 CO 0.00 0.00 0.89 4.11 -1.11 0.00 0.00 177.39 181.28 3h0r h TRP 3 N 0.00 0.00 -0.01 1.96 5.08 -1.90 -1.07 115.95 120.02 3h0r h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3h0r h TRP 3 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3h0r h TRP 3 CO 0.00 0.00 -0.06 1.17 -1.28 0.00 0.00 178.44 178.27 3h0r n LYS 4 N -2.42 1.14 -3.72 0.12 4.81 -1.26 -4.91 118.16 111.93 3h0r n LYS 4 Ca 0.01 -0.49 -0.30 0.00 -0.87 0.00 0.00 58.31 56.65 3h0r n LYS 4 Cb 0.20 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 3h0r n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3h0r s LYS 5 N -2.20 3.56 0.90 1.64 1.02 -0.41 -4.85 119.74 119.42 3h0r s LYS 5 Ca 0.36 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 3h0r s LYS 5 Cb 0.21 -2.88 0.14 0.00 -0.52 0.00 0.00 37.83 34.78 3h0r s LYS 5 CO 0.40 0.47 1.22 -1.54 -0.92 0.00 0.00 175.35 174.99 3h0r s SER 6 N -2.63 3.66 0.45 2.83 1.04 -1.26 -4.81 113.70 112.98 3h0r s SER 6 Ca 0.39 0.62 0.24 0.00 0.48 0.00 0.00 55.95 57.68 3h0r s SER 6 Cb -0.12 -0.95 1.03 0.00 0.10 0.00 0.00 66.02 66.07 3h0r s SER 6 CO 0.26 -2.42 1.88 -0.07 0.98 0.00 0.00 173.24 173.87 3h0r h LEU 7 N -1.42 0.00 -0.15 2.42 3.38 -1.97 0.13 115.31 117.69 3h0r h LEU 7 Ca -0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3h0r h LEU 7 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3h0r h LEU 7 CO 0.54 0.23 -0.21 0.28 0.09 0.00 0.00 178.44 179.37 3h0r h SER 8 N 0.00 0.44 -0.19 -0.43 0.02 -1.98 0.57 113.55 111.99 3h0r h SER 8 Ca -0.00 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3h0r h SER 8 Cb 0.65 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3h0r h SER 8 CO 0.03 0.87 0.08 -0.33 -1.14 0.00 0.00 176.83 176.35 3h0r h GLU 9 N 0.02 0.27 -0.52 3.45 5.08 -1.85 -2.40 114.58 118.63 3h0r h GLU 9 Ca 0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3h0r h GLU 9 Cb 0.77 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3h0r h GLU 9 CO 0.05 0.31 0.07 -0.07 -1.00 0.00 0.00 179.01 178.37 3h0r h LEU 10 N 0.16 0.84 -0.44 1.33 4.07 -0.77 -2.84 115.31 117.66 3h0r h LEU 10 Ca 0.06 -0.27 -0.04 0.00 0.08 0.00 0.00 57.88 57.72 3h0r h LEU 10 Cb 0.13 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 3h0r h LEU 10 CO -0.01 0.90 0.13 -0.09 -1.08 0.00 0.00 178.44 178.29 3h0r h ARG 11 N 0.76 0.69 -0.85 1.13 2.43 -0.83 -1.22 114.38 116.48 3h0r h ARG 11 Ca 0.16 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h0r h ARG 11 Cb 0.42 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 3h0r h ARG 11 CO 0.01 0.68 0.52 1.49 -1.51 0.00 0.00 179.97 181.17 3h0r h GLU 12 N 0.58 1.15 -0.52 0.20 4.81 -1.42 0.14 114.58 119.52 3h0r h GLU 12 Ca 0.14 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3h0r h GLU 12 Cb 0.28 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3h0r h GLU 12 CO -0.00 0.80 0.20 -0.07 -0.73 0.00 0.00 179.01 179.20 3h0r h LEU 13 N 1.17 0.68 0.15 1.64 4.07 -1.33 -2.70 115.31 118.99 3h0r h LEU 13 Ca 0.31 -0.08 -0.29 0.00 0.08 0.00 0.00 57.88 57.89 3h0r h LEU 13 Cb -0.07 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 41.51 3h0r h LEU 13 CO -0.06 0.62 -1.32 -0.07 -1.08 0.00 0.00 178.44 176.53 3h0r h LEU 14 N 0.74 0.51 -0.69 1.67 3.38 -0.48 -0.48 115.31 119.96 3h0r h LEU 14 Ca 0.18 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 3h0r h LEU 14 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3h0r h LEU 14 CO -0.02 1.44 -0.25 0.50 0.09 0.00 0.00 178.44 180.21 3h0r h LYS 15 N 0.09 0.75 -0.63 1.13 3.64 -0.72 -2.87 116.57 117.96 3h0r h LYS 15 Ca -0.17 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3h0r h LYS 15 Cb 2.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 3h0r h LYS 15 CO 0.22 0.92 0.00 0.54 -2.27 0.00 0.00 179.45 178.86 3h0r n ARG 16 N -4.10 4.10 -0.70 1.90 1.74 -1.02 -4.94 116.66 113.64 3h0r n ARG 16 Ca -0.00 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 3h0r n ARG 16 Cb 0.44 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3h0r n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0r n GLY 17 N 0.80 0.48 0.31 -0.13 0.00 -1.09 -4.82 105.19 100.76 3h0r n GLY 17 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 3h0r n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h0r h GLU 18 N 1.33 0.00 -4.47 1.61 5.08 -1.40 -3.42 114.58 113.31 3h0r h GLU 18 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3h0r h GLU 18 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 3h0r h GLU 18 CO 0.00 0.00 -0.70 0.54 -1.00 0.00 0.00 179.01 177.85 3h0r s VAL 19 N -4.95 0.49 0.21 3.13 0.11 -0.68 -5.02 120.40 113.69 3h0r s VAL 19 Ca -0.05 -1.72 0.07 0.00 -2.93 0.00 0.00 61.98 57.35 3h0r s VAL 19 Cb 0.17 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 3h0r s VAL 19 CO 0.66 -0.82 0.10 -0.94 -3.33 0.00 0.00 175.10 170.77 3h0r s SER 20 N -2.71 5.21 0.32 3.54 1.04 -1.26 -4.34 113.70 115.49 3h0r s SER 20 Ca 0.06 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.24 3h0r s SER 20 Cb 0.03 -1.24 0.71 0.00 0.10 0.00 0.00 66.02 65.62 3h0r s SER 20 CO -0.05 0.03 1.84 -0.65 0.98 0.00 0.00 173.24 175.39 3h0r h PRO 21 N 2.10 0.79 -0.73 4.02 0.11 -1.89 -1.67 132.00 134.73 3h0r h PRO 21 Ca -0.47 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3h0r h PRO 21 Cb 1.22 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3h0r h PRO 21 CO 0.61 0.53 0.46 -0.22 -0.21 0.00 0.00 178.00 179.16 3h0r h LYS 22 N 0.82 0.85 -0.19 1.05 3.64 -1.89 -1.75 116.57 119.09 3h0r h LYS 22 Ca 0.49 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 3h0r h LYS 22 Cb 0.66 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3h0r h LYS 22 CO -0.25 0.57 0.06 0.93 -2.27 0.00 0.00 179.45 178.48 3h0r h GLU 23 N 0.88 0.30 -0.17 1.90 5.08 -1.73 -0.69 114.58 120.16 3h0r h GLU 23 Ca 0.30 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3h0r h GLU 23 Cb 0.05 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3h0r h GLU 23 CO -0.12 0.41 -0.27 0.28 -1.00 0.00 0.00 179.01 178.31 3h0r h VAL 24 N 0.14 0.37 -0.46 3.13 2.07 -1.18 0.18 116.25 120.49 3h0r h VAL 24 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3h0r h VAL 24 Cb 0.24 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3h0r h VAL 24 CO -0.00 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.42 3h0r h VAL 25 N -0.31 1.00 -0.89 2.57 2.07 -1.21 -2.40 116.25 117.07 3h0r h VAL 25 Ca 0.11 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3h0r h VAL 25 Cb 0.49 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3h0r h VAL 25 CO -0.35 0.09 0.57 -0.33 0.02 0.00 0.00 177.57 177.57 3h0r h GLU 26 N 0.50 1.04 0.08 1.57 5.08 -0.27 0.14 114.58 122.71 3h0r h GLU 26 Ca 0.19 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3h0r h GLU 26 Cb 0.07 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3h0r h GLU 26 CO -0.12 0.69 -0.35 1.03 -1.00 0.00 0.00 179.01 179.26 3h0r h SER 27 N 1.07 -1.03 0.17 1.42 0.87 -0.19 -0.72 113.55 115.14 3h0r h SER 27 Ca 0.37 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.94 3h0r h SER 27 Cb 0.08 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3h0r h SER 27 CO -0.14 -0.43 -0.39 -0.26 -0.53 0.00 0.00 176.83 175.08 3h0r h PHE 28 N -0.55 0.35 -0.32 2.24 0.04 -1.08 -2.43 116.94 115.19 3h0r h PHE 28 Ca 0.04 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3h0r h PHE 28 Cb 0.60 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3h0r h PHE 28 CO -0.33 0.65 0.12 -0.92 -0.60 0.00 0.00 178.31 177.23 3h0r h TYR 29 N 0.25 0.23 -0.46 -0.55 5.03 -0.38 0.39 116.97 121.48 3h0r h TYR 29 Ca 0.03 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 3h0r h TYR 29 Cb 0.80 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 3h0r h TYR 29 CO 0.02 0.11 0.17 -0.44 -1.32 0.00 0.00 178.16 176.69 3h0r h ASP 30 N 0.27 0.64 -0.93 -2.11 3.32 -0.81 0.12 116.42 116.93 3h0r h ASP 30 Ca 0.14 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3h0r h ASP 30 Cb 0.09 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 3h0r h ASP 30 CO -0.13 0.65 0.61 -0.09 -1.72 0.00 0.00 179.24 178.56 3h0r h ARG 31 N 0.60 1.08 -0.05 3.56 9.65 -1.09 0.37 114.38 128.50 3h0r h ARG 31 Ca 0.15 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 3h0r h ARG 31 Cb 0.22 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 3h0r h ARG 31 CO -0.01 0.71 -0.19 -0.92 2.80 0.00 0.00 179.97 182.36 3h0r h TYR 32 N 1.11 -0.51 -0.34 2.20 3.20 0.44 -1.99 116.97 121.09 3h0r h TYR 32 Ca 0.39 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 3h0r h TYR 32 Cb 0.12 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3h0r h TYR 32 CO -0.00 -0.27 0.17 -0.91 -1.64 0.00 0.00 178.16 175.50 3h0r h ASN 33 N -0.29 0.41 -0.63 -2.11 2.35 0.16 0.29 115.58 115.75 3h0r h ASN 33 Ca 0.07 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3h0r h ASN 33 Cb 0.39 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3h0r h ASN 33 CO -0.21 0.35 0.16 1.56 -1.65 0.00 0.00 177.43 177.63 3h0r h GLN 34 N 0.47 1.04 0.00 0.81 4.20 -0.01 -3.39 115.11 118.22 3h0r h GLN 34 Ca 0.12 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 3h0r h GLN 34 Cb 0.04 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3h0r h GLN 34 CO -0.02 0.92 -1.55 0.25 -0.67 0.00 0.00 178.83 177.75 3h0r n THR 35 N -4.24 0.56 -0.30 -0.54 -2.24 -0.64 -4.74 114.28 102.13 3h0r n THR 35 Ca 0.05 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3h0r n THR 35 Cb 0.25 -0.81 0.31 0.00 -2.10 0.00 0.00 70.33 67.98 3h0r n THR 35 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h0r h GLU 36 N 0.00 0.83 0.00 -0.78 4.57 -0.67 -1.35 114.58 117.18 3h0r h GLU 36 Ca -0.22 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 3h0r h GLU 36 Cb 1.45 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3h0r h GLU 36 CO -0.00 0.55 -0.13 1.49 -1.18 0.00 0.00 179.01 179.74 3h0r h GLU 37 N 0.85 0.00 0.03 1.92 4.81 -1.84 0.34 114.58 120.68 3h0r h GLU 37 Ca 0.44 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.53 3h0r h GLU 37 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3h0r h GLU 37 CO -0.20 0.13 -0.74 0.87 -0.73 0.00 0.00 179.01 178.34 3h0r h LYS 38 N 0.00 0.07 0.13 1.92 1.57 -1.62 -3.42 116.57 115.22 3h0r h LYS 38 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3h0r h LYS 38 Cb 0.24 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h0r h LYS 38 CO 0.02 1.05 -0.06 0.28 -0.57 0.00 0.00 179.45 180.17 3h0r h VAL 39 N -0.83 0.67 -4.99 0.50 2.07 -1.01 -3.42 116.25 109.25 3h0r h VAL 39 Ca -0.18 -1.22 -0.27 0.00 0.82 0.00 0.00 66.70 65.84 3h0r h VAL 39 Cb 1.29 1.19 0.14 0.00 -1.52 0.00 0.00 31.29 32.38 3h0r h VAL 39 CO -0.05 0.20 -0.63 0.29 0.02 0.00 0.00 177.57 177.40 3h0r n LYS 40 N -4.86 -5.44 -0.20 1.57 5.02 0.12 -0.90 118.16 113.46 3h0r n LYS 40 Ca -0.06 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.84 3h0r n LYS 40 Cb 0.23 -5.26 0.02 0.00 -0.02 0.00 0.00 35.03 30.00 3h0r n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h0r h ALA 41 N 0.74 0.76 -2.87 7.82 0.00 -1.87 -3.39 119.26 120.45 3h0r h ALA 41 Ca -0.48 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 53.54 3h0r h ALA 41 Cb 1.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3h0r h ALA 41 CO 0.41 0.51 -0.50 0.71 0.00 0.00 0.00 179.25 180.38 3h0r s TYR 42 N -5.20 3.52 -0.17 0.00 1.51 -1.26 0.10 117.35 115.84 3h0r s TYR 42 Ca -0.12 0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 56.09 3h0r s TYR 42 Cb 0.13 -1.79 -0.22 0.00 -0.11 0.00 0.00 41.96 39.96 3h0r s TYR 42 CO 0.82 0.62 0.28 -0.89 -1.11 0.00 0.00 175.55 175.27 3h0r n ILE 43 N 0.69 1.66 -3.61 2.71 5.41 0.27 -4.65 119.36 121.83 3h0r n ILE 43 Ca -0.09 -0.33 -0.29 0.00 1.00 0.00 0.00 62.75 63.04 3h0r n ILE 43 Cb 0.52 -1.90 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 3h0r n ILE 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3h0r s THR 44 N -2.46 0.31 0.29 1.39 2.01 -0.53 -4.98 115.64 111.66 3h0r s THR 44 Ca -0.26 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 3h0r s THR 44 Cb 0.06 -1.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.22 3h0r s THR 44 CO 0.68 -0.73 1.15 -2.16 -0.69 0.00 0.00 174.62 172.86 3h0r s PRO 45 N 1.82 4.57 -0.06 4.92 0.04 -1.26 0.47 135.00 145.49 3h0r s PRO 45 Ca 0.10 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.14 3h0r s PRO 45 Cb -0.17 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.34 3h0r s PRO 45 CO -0.29 0.11 1.06 1.28 0.04 0.00 0.00 177.00 179.19 3h0r n LEU 46 N 1.17 1.19 -0.35 -3.56 4.77 0.15 -4.78 117.00 115.61 3h0r n LEU 46 Ca -0.01 -2.01 0.05 0.00 -0.03 0.00 0.00 56.01 54.01 3h0r n LEU 46 Cb 0.44 -0.21 0.22 0.00 -2.33 0.00 0.00 43.42 41.55 3h0r n LEU 46 CO 0.55 0.47 1.25 1.88 -1.33 0.00 0.00 177.39 180.22 3h0r h TYR 47 N 0.00 1.13 -0.11 -1.77 -1.99 -1.75 0.75 116.97 113.23 3h0r h TYR 47 Ca 0.00 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3h0r h TYR 47 Cb 1.17 -0.37 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 3h0r h TYR 47 CO 0.05 0.54 -0.11 0.78 -0.00 0.00 0.00 178.16 179.41 3h0r h GLY 48 N 1.06 -0.04 1.86 3.88 0.00 -1.90 0.16 103.07 108.10 3h0r h GLY 48 Ca 0.44 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.81 3h0r h GLY 48 CO -0.19 -0.12 -0.42 1.70 0.00 0.00 0.00 176.54 177.50 3h0r h LYS 49 N -0.14 0.16 -0.38 4.80 3.64 -1.68 -2.85 116.57 120.12 3h0r h LYS 49 Ca 0.08 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 3h0r h LYS 49 Cb 0.25 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3h0r h LYS 49 CO -0.19 0.56 -0.31 0.00 -2.27 0.00 0.00 179.45 177.24 3h0r h ALA 50 N 1.43 0.73 -0.45 5.00 0.00 -0.36 -1.58 119.26 124.04 3h0r h ALA 50 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.59 3h0r h ALA 50 Cb 0.81 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 3h0r h ALA 50 CO 0.06 0.66 -0.31 -0.07 0.00 0.00 0.00 179.25 179.59 3h0r h LEU 51 N 0.71 -1.03 -0.72 0.00 4.07 -0.46 0.31 115.31 118.18 3h0r h LEU 51 Ca 0.08 0.19 -0.09 0.00 0.08 0.00 0.00 57.88 58.15 3h0r h LEU 51 Cb 0.86 0.50 -0.02 0.00 1.08 0.00 0.00 40.66 43.08 3h0r h LEU 51 CO 0.08 -0.30 0.03 0.11 -1.08 0.00 0.00 178.44 177.27 3h0r h LYS 52 N -0.21 1.02 -0.08 1.13 1.57 -1.39 -2.90 116.57 115.70 3h0r h LYS 52 Ca 0.19 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3h0r h LYS 52 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3h0r h LYS 52 CO -0.57 0.98 -0.25 1.96 -0.57 0.00 0.00 179.45 181.01 3h0r h GLN 53 N 0.94 0.15 -0.23 3.15 4.20 -0.80 -2.93 115.11 119.58 3h0r h GLN 53 Ca 0.18 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3h0r h GLN 53 Cb 0.50 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3h0r h GLN 53 CO 0.02 0.39 -0.15 0.00 -0.67 0.00 0.00 178.83 178.42 3h0r h ALA 54 N 1.62 1.32 -0.84 3.87 0.00 -0.73 -2.97 119.26 121.52 3h0r h ALA 54 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3h0r h ALA 54 Cb 0.51 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3h0r h ALA 54 CO 0.04 0.46 0.55 0.93 0.00 0.00 0.00 179.25 181.23 3h0r h GLU 55 N 0.36 0.99 -0.00 0.00 5.08 -1.53 -2.07 114.58 117.40 3h0r h GLU 55 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h0r h GLU 55 Cb 0.48 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3h0r h GLU 55 CO 0.03 0.65 -0.13 -1.13 -1.00 0.00 0.00 179.01 177.43 3h0r n SER 56 N -4.46 0.62 -4.64 1.42 3.41 -1.12 -4.83 113.62 104.02 3h0r n SER 56 Ca 0.11 -0.69 -0.43 0.00 -0.26 0.00 0.00 58.87 57.61 3h0r n SER 56 Cb 0.14 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3h0r n SER 56 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3h0r s LEU 57 N -2.45 4.03 0.00 1.04 0.20 -0.78 -4.88 118.68 115.85 3h0r s LEU 57 Ca 0.29 1.05 0.00 0.00 0.69 0.00 0.00 54.13 56.16 3h0r s LEU 57 Cb 0.20 -3.39 0.00 0.00 -0.43 0.00 0.00 46.19 42.57 3h0r s LEU 57 CO 0.48 -0.72 0.00 0.29 -0.29 0.00 0.00 176.35 176.11 3h0r n LYS 58 N 6.46 0.00 -1.97 1.98 5.02 -1.26 -4.94 118.16 123.44 3h0r n LYS 58 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 3h0r n LYS 58 Cb 0.47 -0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.88 3h0r n LYS 58 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3h0r s GLU 59 N -1.83 2.98 0.46 1.97 2.12 -1.26 -4.85 118.70 118.30 3h0r s GLU 59 Ca 0.00 1.16 0.27 0.00 0.36 0.00 0.00 54.97 56.75 3h0r s GLU 59 Cb 0.00 -4.30 0.70 0.00 0.26 0.00 0.00 34.13 30.80 3h0r s GLU 59 CO 0.00 -2.28 1.74 0.00 -0.54 0.00 0.00 175.26 174.18 3h0r h ARG 60 N 14.20 0.00 -0.00 4.30 3.08 -1.94 -3.16 114.38 130.85 3h0r h ARG 60 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3h0r h ARG 60 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3h0r h ARG 60 CO 1.11 0.00 -0.01 -1.91 -1.07 0.00 0.00 179.97 178.09 3h0r n GLU 61 N -3.04 1.01 -1.78 0.04 2.13 -1.26 -4.65 120.64 113.09 3h0r n GLU 61 Ca 0.03 -0.14 -0.42 0.00 0.66 0.00 0.00 57.16 57.29 3h0r n GLU 61 Cb 0.45 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.63 3h0r n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3h0r s LEU 62 N -2.09 4.37 0.47 4.31 1.02 -1.20 -4.90 118.68 120.66 3h0r s LEU 62 Ca 0.44 2.80 0.24 0.00 0.02 0.00 0.00 54.13 57.63 3h0r s LEU 62 Cb 0.22 -3.60 1.26 0.00 0.02 0.00 0.00 46.19 44.09 3h0r s LEU 62 CO 0.38 -0.94 1.85 -0.65 0.02 0.00 0.00 176.35 177.01 3h0r h PRO 63 N 6.84 0.23 -0.57 1.29 0.11 -1.87 0.20 132.00 138.23 3h0r h PRO 63 Ca -0.43 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.26 3h0r h PRO 63 Cb 1.20 -0.05 -0.30 0.00 0.11 0.00 0.00 31.00 31.96 3h0r h PRO 63 CO 0.95 0.15 -0.56 1.28 -0.21 0.00 0.00 178.00 179.60 3h0r n LEU 64 N -4.42 4.56 -0.24 2.35 4.77 0.58 -4.98 117.00 119.61 3h0r n LEU 64 Ca 0.20 -4.45 -0.02 0.00 -0.03 0.00 0.00 56.01 51.72 3h0r n LEU 64 Cb 0.86 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3h0r n LEU 64 CO 0.33 1.84 0.35 0.33 -1.33 0.00 0.00 177.39 178.91 3h0r n PHE 65 N -0.85 -0.04 -1.40 -1.77 7.35 0.69 -1.39 117.46 120.04 3h0r n PHE 65 Ca 0.39 0.77 0.07 0.00 -0.76 0.00 0.00 57.45 57.92 3h0r n PHE 65 Cb 0.89 -0.69 0.13 0.00 0.35 0.00 0.00 39.48 40.16 3h0r n PHE 65 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h0r n GLY 66 N -1.26 4.12 3.67 7.13 0.00 -1.26 -4.34 105.19 113.25 3h0r n GLY 66 Ca 0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3h0r n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h0r s ILE 67 N -2.40 4.85 0.43 -0.61 -1.09 -0.49 -4.77 121.20 117.12 3h0r s ILE 67 Ca 0.29 1.73 -0.24 0.00 -2.23 0.00 0.00 60.65 60.20 3h0r s ILE 67 Cb 0.27 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 3h0r s ILE 67 CO -0.01 0.01 1.20 -2.84 -1.23 0.00 0.00 174.94 172.08 3h0r s PRO 68 N 2.19 3.89 -0.11 2.79 0.02 -1.26 -0.25 135.00 142.27 3h0r s PRO 68 Ca 0.40 1.90 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 3h0r s PRO 68 Cb -0.17 -2.58 0.05 0.00 0.02 0.00 0.00 34.50 31.82 3h0r s PRO 68 CO 0.13 -0.48 0.26 -1.50 -0.33 0.00 0.00 177.00 175.08 3h0r s ILE 69 N -1.42 -0.14 0.47 2.83 2.07 -0.38 -4.39 121.20 120.25 3h0r s ILE 69 Ca 0.60 0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.90 3h0r s ILE 69 Cb -0.32 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 41.80 3h0r s ILE 69 CO 0.40 0.08 0.87 0.00 -1.91 0.00 0.00 174.94 174.37 3h0r s ALA 70 N 1.58 3.23 -0.02 1.50 0.00 -1.11 -1.66 121.76 125.28 3h0r s ALA 70 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3h0r s ALA 70 Cb -0.11 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3h0r s ALA 70 CO -0.09 -0.19 0.02 0.08 0.00 0.00 0.00 175.76 175.58 3h0r s VAL 71 N -2.58 0.03 0.37 0.00 1.01 -0.59 -1.61 120.40 117.03 3h0r s VAL 71 Ca 0.54 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 3h0r s VAL 71 Cb -0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.02 3h0r s VAL 71 CO 0.35 0.10 1.32 1.17 0.00 0.00 0.00 175.10 178.04 3h0r n LYS 72 N 4.07 2.16 -0.37 2.72 4.81 -0.79 -0.15 118.16 130.61 3h0r n LYS 72 Ca -0.26 0.76 -0.06 0.00 -0.87 0.00 0.00 58.31 57.88 3h0r n LYS 72 Cb 0.51 -2.40 0.04 0.00 0.02 0.00 0.00 35.03 33.20 3h0r n LYS 72 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3h0r n ASP 73 N 0.56 3.71 -0.01 3.14 2.03 -0.94 -1.72 116.55 123.31 3h0r n ASP 73 Ca 0.05 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.90 3h0r n ASP 73 Cb 0.37 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 3h0r n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h0r n ASN 74 N 0.26 1.87 -4.50 1.67 0.23 -1.26 -0.09 115.26 113.45 3h0r n ASN 74 Ca 0.14 -1.86 -0.35 0.00 -0.53 0.00 0.00 54.58 51.99 3h0r n ASN 74 Cb 0.73 -0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.31 3h0r n ASN 74 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3h0r s ILE 75 N -0.86 4.22 -0.01 1.53 1.01 -0.70 -0.30 121.20 126.09 3h0r s ILE 75 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 3h0r s ILE 75 Cb 0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3h0r s ILE 75 CO 0.00 0.43 1.20 -0.76 0.00 0.00 0.00 174.94 175.81 3h0r s LEU 76 N 0.86 4.32 -0.20 2.97 1.02 -0.20 -4.90 118.68 122.56 3h0r s LEU 76 Ca 0.02 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.07 3h0r s LEU 76 Cb -0.14 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.52 3h0r s LEU 76 CO 0.02 -0.54 -0.17 -0.69 0.02 0.00 0.00 176.35 175.00 3h0r s VAL 77 N 1.74 2.27 0.37 -1.59 1.01 -1.26 -1.21 120.40 121.74 3h0r s VAL 77 Ca 0.57 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 3h0r s VAL 77 Cb -0.27 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3h0r s VAL 77 CO 0.25 0.46 1.20 -0.70 0.00 0.00 0.00 175.10 176.31 3h0r s GLU 78 N 1.30 4.17 0.00 2.72 2.12 -1.23 -2.43 118.70 125.34 3h0r s GLU 78 Ca 0.04 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.30 3h0r s GLU 78 Cb -0.14 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.44 3h0r s GLU 78 CO -0.11 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 3h0r n GLY 79 N 0.73 3.14 3.56 -1.50 0.00 0.06 -4.96 105.19 106.21 3h0r n GLY 79 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3h0r n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h0r s GLU 80 N -0.52 2.02 0.24 1.61 0.41 -1.02 -4.80 118.70 116.64 3h0r s GLU 80 Ca 0.00 -1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 53.10 3h0r s GLU 80 Cb 0.00 -2.21 -0.14 0.00 -1.78 0.00 0.00 34.13 30.00 3h0r s GLU 80 CO 0.00 0.47 1.38 1.63 -0.49 0.00 0.00 175.26 178.26 3h0r n LYS 81 N 0.48 1.96 -3.97 1.61 5.02 -1.26 -2.02 118.16 119.98 3h0r n LYS 81 Ca -0.13 0.70 -0.31 0.00 -2.02 0.00 0.00 58.31 56.55 3h0r n LYS 81 Cb 0.53 -2.34 -0.15 0.00 -0.02 0.00 0.00 35.03 33.05 3h0r n LYS 81 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h0r s THR 82 N -0.11 1.82 -0.08 -0.18 2.01 -0.68 -4.86 115.64 113.56 3h0r s THR 82 Ca 0.68 -1.63 0.22 0.00 0.31 0.00 0.00 61.69 61.27 3h0r s THR 82 Cb -0.66 -2.13 -0.27 0.00 0.01 0.00 0.00 72.50 69.44 3h0r s THR 82 CO 0.50 -0.26 0.59 0.35 -0.69 0.00 0.00 174.62 175.12 3h0r n THR 83 N 4.52 0.12 -2.17 -0.82 -2.24 -1.23 -4.68 114.28 107.77 3h0r n THR 83 Ca -0.08 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.11 3h0r n THR 83 Cb 0.43 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3h0r n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h0r n ALA 85 N -1.76 -1.13 -2.32 0.00 0.00 -1.26 -1.27 120.51 112.76 3h0r n ALA 85 Ca -0.10 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 3h0r n ALA 85 Cb 0.51 -3.68 -0.15 0.00 0.00 0.00 0.00 19.45 16.13 3h0r n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h0r s SER 86 N -2.94 3.10 0.42 0.00 0.15 0.12 -1.62 113.70 112.93 3h0r s SER 86 Ca 0.49 -0.52 0.09 0.00 0.70 0.00 0.00 55.95 56.71 3h0r s SER 86 Cb -0.25 -0.32 0.91 0.00 -1.71 0.00 0.00 66.02 64.66 3h0r s SER 86 CO 0.60 0.30 2.06 0.11 1.20 0.00 0.00 173.24 177.51 3h0r h LYS 87 N 5.21 0.48 0.00 5.44 1.79 -1.84 -0.84 116.57 126.80 3h0r h LYS 87 Ca -0.44 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3h0r h LYS 87 Cb 1.13 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3h0r h LYS 87 CO 0.46 0.32 0.00 1.51 -1.08 0.00 0.00 179.45 180.65 3h0r n ILE 88 N -4.48 0.77 -0.41 1.86 3.06 -0.87 -3.08 119.36 116.20 3h0r n ILE 88 Ca 0.03 0.11 0.01 0.00 -2.50 0.00 0.00 62.75 60.40 3h0r n ILE 88 Cb 0.10 -1.01 0.01 0.00 0.54 0.00 0.00 39.64 39.28 3h0r n ILE 88 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3h0r n LEU 89 N -2.20 1.49 -4.76 9.51 4.32 -0.89 -1.11 117.00 123.36 3h0r n LEU 89 Ca 0.03 -1.60 -0.40 0.00 -0.02 0.00 0.00 56.01 54.01 3h0r n LEU 89 Cb 0.27 -0.04 -0.03 0.00 -1.62 0.00 0.00 43.42 42.00 3h0r n LEU 89 CO 0.22 0.39 0.86 -1.83 -1.22 0.00 0.00 177.39 175.82 3h0r s GLU 90 N -0.91 4.51 0.00 3.23 -1.05 -0.37 -2.40 118.70 121.71 3h0r s GLU 90 Ca 0.03 1.96 0.00 0.00 -0.15 0.00 0.00 54.97 56.81 3h0r s GLU 90 Cb 0.03 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 3h0r s GLU 90 CO 0.00 0.04 0.00 0.09 0.95 0.00 0.00 175.26 176.34 3h0r n ASN 91 N 0.99 -0.54 -4.63 0.83 3.02 -1.26 -4.66 115.26 109.01 3h0r n ASN 91 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3h0r n ASN 91 Cb 0.44 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 3h0r n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3h0r s PHE 92 N -3.51 3.03 -0.14 3.10 5.36 -1.01 -4.90 117.98 119.91 3h0r s PHE 92 Ca 0.00 1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 56.86 3h0r s PHE 92 Cb 0.00 -3.81 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 3h0r s PHE 92 CO 0.00 -0.99 0.54 0.08 -1.46 0.00 0.00 175.22 173.39 3h0r s VAL 93 N 3.86 5.12 -0.11 3.12 1.01 -1.26 -1.68 120.40 130.45 3h0r s VAL 93 Ca 0.48 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 3h0r s VAL 93 Cb -0.12 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3h0r s VAL 93 CO 0.18 0.24 1.37 0.00 0.00 0.00 0.00 175.10 176.90 3h0r s ALA 94 N 1.11 3.63 -1.58 5.51 0.00 -0.86 -4.89 121.76 124.68 3h0r s ALA 94 Ca 0.28 0.63 0.30 0.00 0.00 0.00 0.00 51.96 53.17 3h0r s ALA 94 Cb -0.16 -3.64 1.61 0.00 0.00 0.00 0.00 23.12 20.93 3h0r s ALA 94 CO 0.11 -1.17 2.09 -2.30 0.00 0.00 0.00 175.76 174.49 3h0r n PRO 95 N 6.48 0.57 -3.52 0.00 -0.02 -1.26 -0.77 135.00 136.49 3h0r n PRO 95 Ca 0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3h0r n PRO 95 Cb 0.44 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.40 3h0r n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h0r s TYR 96 N -2.42 -0.43 -0.04 6.00 1.13 -1.26 -4.94 117.35 115.39 3h0r s TYR 96 Ca 0.33 0.19 -0.23 0.00 -1.41 0.00 0.00 57.07 55.96 3h0r s TYR 96 Cb 0.21 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.60 3h0r s TYR 96 CO 0.43 -0.85 0.67 -0.51 -2.51 0.00 0.00 175.55 172.78 3h0r s ASP 97 N -2.73 7.00 0.49 -0.18 1.01 -1.26 -3.52 116.67 117.47 3h0r s ASP 97 Ca 0.04 1.19 -0.21 0.00 0.71 0.00 0.00 52.55 54.28 3h0r s ASP 97 Cb -0.02 -2.40 -0.10 0.00 1.01 0.00 0.00 42.92 41.42 3h0r s ASP 97 CO -0.08 -0.04 0.73 0.00 0.21 0.00 0.00 175.17 175.98 3h0r n ALA 98 N 3.39 -0.68 -0.33 5.23 0.00 -0.35 -4.80 120.51 122.96 3h0r n ALA 98 Ca -0.03 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.57 3h0r n ALA 98 Cb 0.51 -1.92 0.25 0.00 0.00 0.00 0.00 19.45 18.29 3h0r n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3h0r h THR 99 N 0.79 1.00 -0.80 0.00 2.02 -1.48 -1.67 112.91 112.76 3h0r h THR 99 Ca -0.44 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3h0r h THR 99 Cb 1.38 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3h0r h THR 99 CO 0.51 0.18 0.41 -0.37 0.37 0.00 0.00 175.52 176.63 3h0r h VAL 100 N 1.00 1.24 -0.52 3.16 -1.51 -1.85 -0.94 116.25 116.84 3h0r h VAL 100 Ca 0.43 -0.65 -0.10 0.00 -1.23 0.00 0.00 66.70 65.15 3h0r h VAL 100 Cb 0.34 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.69 3h0r h VAL 100 CO -0.19 0.28 -0.08 0.40 -1.23 0.00 0.00 177.57 176.76 3h0r h ILE 101 N 1.12 1.26 -0.42 7.19 1.08 -1.68 -0.04 117.51 126.03 3h0r h ILE 101 Ca 0.28 -1.19 0.06 0.00 -0.39 0.00 0.00 64.86 63.61 3h0r h ILE 101 Cb 0.08 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 3h0r h ILE 101 CO -0.04 0.42 0.10 -0.08 -0.69 0.00 0.00 178.15 177.86 3h0r h GLU 102 N 0.85 0.24 0.00 2.37 4.81 -1.00 -1.07 114.58 120.78 3h0r h GLU 102 Ca 0.14 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3h0r h GLU 102 Cb 0.61 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3h0r h GLU 102 CO 0.04 0.16 -0.65 0.00 -0.73 0.00 0.00 179.01 177.83 3h0r h ARG 103 N 0.24 0.00 -0.15 1.92 3.08 -0.68 -1.66 114.38 117.14 3h0r h ARG 103 Ca 0.20 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 3h0r h ARG 103 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.29 3h0r h ARG 103 CO -0.24 0.65 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.65 3h0r h LEU 104 N 0.00 0.76 -0.55 3.04 3.38 -0.81 -2.73 115.31 118.40 3h0r h LEU 104 Ca -0.01 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 3h0r h LEU 104 Cb 1.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3h0r h LEU 104 CO 0.08 1.25 0.32 0.11 0.09 0.00 0.00 178.44 180.30 3h0r h LYS 105 N 0.32 0.76 0.00 1.13 1.57 -1.08 -0.54 116.57 118.74 3h0r h LYS 105 Ca -0.03 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 3h0r h LYS 105 Cb 1.21 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3h0r h LYS 105 CO 0.12 0.57 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.27 3h0r h LYS 106 N 0.75 0.00 -0.14 3.15 3.64 -1.33 -1.91 116.57 120.72 3h0r h LYS 106 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3h0r h LYS 106 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3h0r h LYS 106 CO -0.03 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 3h0r n ALA 107 N -2.18 2.52 -0.53 5.00 0.00 -0.31 -4.91 120.51 120.10 3h0r n ALA 107 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3h0r n ALA 107 Cb 0.24 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3h0r n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 108 N 1.17 0.76 3.69 0.00 0.00 -0.72 -0.31 105.19 109.79 3h0r n GLY 108 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3h0r n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0r s ALA 109 N -2.94 1.51 -0.19 4.61 0.00 -0.58 -4.08 121.76 120.09 3h0r s ALA 109 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3h0r s ALA 109 Cb 0.00 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.85 3h0r s ALA 109 CO 0.00 -2.50 -0.04 -0.51 0.00 0.00 0.00 175.76 172.71 3h0r s LEU 110 N -6.39 1.83 -0.14 0.00 1.43 0.66 -4.61 118.68 111.47 3h0r s LEU 110 Ca 0.64 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 3h0r s LEU 110 Cb -0.20 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3h0r s LEU 110 CO 0.58 -0.21 1.64 -0.63 0.23 0.00 0.00 176.35 177.95 3h0r s ILE 111 N 1.59 3.65 -2.40 -0.59 1.09 -1.26 -1.25 121.20 122.03 3h0r s ILE 111 Ca -0.01 0.76 0.20 0.00 -1.10 0.00 0.00 60.65 60.50 3h0r s ILE 111 Cb -0.17 -3.58 0.13 0.00 -1.06 0.00 0.00 42.46 37.78 3h0r s ILE 111 CO -0.07 -0.17 1.11 1.33 -0.10 0.00 0.00 174.94 177.04 3h0r n VAL 112 N 5.99 0.00 0.00 2.92 0.24 -0.66 -4.57 118.33 122.25 3h0r n VAL 112 Ca 0.18 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3h0r n VAL 112 Cb 0.44 1.39 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 3h0r n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h0r n GLY 113 N 1.19 1.88 3.54 7.63 0.00 -1.26 0.34 105.19 118.51 3h0r n GLY 113 Ca 0.11 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 3h0r n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h0r s LYS 114 N -2.00 3.82 -0.00 1.61 -0.14 0.18 -1.54 119.74 121.66 3h0r s LYS 114 Ca 0.00 -0.41 -0.13 0.00 -1.36 0.00 0.00 55.97 54.07 3h0r s LYS 114 Cb 0.00 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 3h0r s LYS 114 CO 0.00 0.03 0.37 0.99 -0.76 0.00 0.00 175.35 175.98 3h0r s THR 115 N 1.04 5.10 0.75 2.17 2.01 0.78 0.95 115.64 128.43 3h0r s THR 115 Ca 0.04 0.69 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 3h0r s THR 115 Cb -0.14 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.76 3h0r s THR 115 CO 0.03 0.53 1.15 0.21 -0.69 0.00 0.00 174.62 175.86 3h0r s ASN 116 N -1.19 4.25 0.22 3.53 2.47 0.28 -2.22 114.94 122.28 3h0r s ASN 116 Ca 0.24 2.15 -0.19 0.00 0.42 0.00 0.00 52.86 55.49 3h0r s ASN 116 Cb -0.16 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.10 3h0r s ASN 116 CO 0.13 -2.22 0.59 -1.48 -3.72 0.00 0.00 177.10 170.40 3h0r s LEU 117 N -5.46 -0.06 0.54 3.21 2.34 -1.26 -2.37 118.68 115.61 3h0r s LEU 117 Ca 0.69 -0.53 -0.21 0.00 0.06 0.00 0.00 54.13 54.14 3h0r s LEU 117 Cb -0.24 2.32 -0.05 0.00 -0.56 0.00 0.00 46.19 47.66 3h0r s LEU 117 CO 0.48 -1.15 1.28 -1.81 -1.06 0.00 0.00 176.35 174.10 3h0r s ASP 118 N -2.89 5.45 -0.03 1.48 1.01 -1.14 -3.37 116.67 117.17 3h0r s ASP 118 Ca 0.11 2.58 -0.32 0.00 0.71 0.00 0.00 52.55 55.63 3h0r s ASP 118 Cb -0.02 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 3h0r s ASP 118 CO 0.01 -1.43 1.93 1.21 0.21 0.00 0.00 175.17 177.10 3h0r n GLU 119 N -1.02 2.52 -3.75 8.23 2.13 -0.48 -0.87 120.64 127.40 3h0r n GLU 119 Ca 0.10 0.93 -0.26 0.00 0.66 0.00 0.00 57.16 58.59 3h0r n GLU 119 Cb 0.47 -2.83 0.05 0.00 0.27 0.00 0.00 31.44 29.40 3h0r n GLU 119 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3h0r n PHE 120 N 7.12 -2.40 -1.78 4.31 3.72 -0.40 -2.61 117.46 125.41 3h0r n PHE 120 Ca 0.21 0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 58.35 3h0r n PHE 120 Cb 0.35 -4.44 -0.06 0.00 -0.94 0.00 0.00 39.48 34.39 3h0r n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h0r n ALA 121 N -4.67 -0.37 -3.74 4.37 0.00 -0.05 -4.89 120.51 111.15 3h0r n ALA 121 Ca -0.05 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 3h0r n ALA 121 Cb 0.57 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 3h0r n ALA 121 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h0r s MET 122 N -4.01 2.48 0.00 0.00 -1.94 -1.07 -4.68 119.30 110.07 3h0r s MET 122 Ca 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 55.69 51.49 3h0r s MET 122 Cb 0.00 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.15 3h0r s MET 122 CO 0.00 -1.16 0.00 0.41 -0.01 0.00 0.00 175.02 174.26 3h0r n GLY 123 N 3.54 1.72 1.21 -0.03 0.00 -1.26 -4.55 105.19 105.82 3h0r n GLY 123 Ca 0.07 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.59 3h0r n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0r n SER 124 N 0.00 1.56 0.00 1.61 7.64 -1.26 -2.40 113.62 120.77 3h0r n SER 124 Ca 0.00 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.95 3h0r n SER 124 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3h0r n SER 124 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h0r n SER 125 N -0.34 0.00 0.00 6.43 3.41 -1.23 -2.52 113.62 119.37 3h0r n SER 125 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3h0r n SER 125 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3h0r n SER 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3h0r n THR 126 N -0.05 0.00 0.10 6.66 -1.04 -1.22 -4.25 114.28 114.48 3h0r n THR 126 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 3h0r n THR 126 Cb 0.00 -0.05 0.75 0.00 -1.82 0.00 0.00 70.33 69.20 3h0r n THR 126 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h0r h GLU 127 N 2.08 0.00 -0.39 -2.82 5.08 -1.90 -1.25 114.58 115.38 3h0r h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h0r h GLU 127 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h0r h GLU 127 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3h0r n TYR 128 N -4.03 0.44 -1.69 4.33 4.01 -1.26 -4.74 117.16 114.22 3h0r n TYR 128 Ca 0.06 -0.20 -0.45 0.00 -0.16 0.00 0.00 57.90 57.16 3h0r n TYR 128 Cb 0.50 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.44 3h0r n TYR 128 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h0r n SER 129 N 0.27 3.37 0.00 7.72 2.88 -0.47 -1.38 113.62 126.01 3h0r n SER 129 Ca 0.09 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.82 3h0r n SER 129 Cb 0.30 -1.48 0.51 0.00 -0.75 0.00 0.00 64.21 62.80 3h0r n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h0r n ALA 130 N 3.42 2.07 -0.11 -1.46 0.00 -0.64 -3.94 120.51 119.85 3h0r n ALA 130 Ca 0.16 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 3h0r n ALA 130 Cb 0.31 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 3h0r n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h0r n PHE 131 N -1.31 0.00 -3.63 0.00 3.72 -1.26 -4.92 117.46 110.06 3h0r n PHE 131 Ca 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.45 3h0r n PHE 131 Cb 0.17 -0.77 -0.04 0.00 -0.94 0.00 0.00 39.48 37.90 3h0r n PHE 131 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3h0r s PHE 132 N -2.39 -0.12 0.38 1.38 -0.71 -1.25 -5.16 117.98 110.10 3h0r s PHE 132 Ca -0.30 0.20 -0.26 0.00 -1.04 0.00 0.00 56.93 55.53 3h0r s PHE 132 Cb 0.11 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.32 3h0r s PHE 132 CO 0.38 -0.11 1.13 -1.25 -1.34 0.00 0.00 175.22 174.03 3h0r s PRO 133 N -1.08 4.18 0.29 1.99 0.04 -1.26 -4.67 135.00 134.48 3h0r s PRO 133 Ca 0.06 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 3h0r s PRO 133 Cb -0.01 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 3h0r s PRO 133 CO -0.06 -0.19 0.64 0.99 0.04 0.00 0.00 177.00 178.43 3h0r s THR 134 N -1.43 4.84 0.08 1.26 2.01 -1.26 -4.81 115.64 116.33 3h0r s THR 134 Ca 0.55 0.61 0.10 0.00 0.31 0.00 0.00 61.69 63.26 3h0r s THR 134 Cb -0.29 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3h0r s THR 134 CO 0.37 -0.20 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.29 3h0r s LYS 135 N -3.09 1.63 -0.18 4.92 1.02 -0.08 -4.42 119.74 119.55 3h0r s LYS 135 Ca 0.50 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 3h0r s LYS 135 Cb -0.11 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 3h0r s LYS 135 CO 0.22 0.49 1.66 1.21 -0.92 0.00 0.00 175.35 178.01 3h0r s ASN 136 N -1.61 6.39 0.00 2.83 3.84 0.23 -4.74 114.94 121.89 3h0r s ASN 136 Ca 0.13 1.79 0.06 0.00 0.21 0.00 0.00 52.86 55.05 3h0r s ASN 136 Cb -0.10 -2.53 0.29 0.00 -0.55 0.00 0.00 41.25 38.36 3h0r s ASN 136 CO 0.04 -1.22 1.06 -0.81 -2.79 0.00 0.00 177.10 173.38 3h0r n PRO 137 N 7.60 0.07 0.01 0.43 -0.04 -1.26 -1.23 135.00 140.58 3h0r n PRO 137 Ca 0.19 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3h0r n PRO 137 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3h0r n PRO 137 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h0r n TRP 138 N -1.31 0.09 -3.15 0.54 7.02 -1.26 -4.08 117.44 115.28 3h0r n TRP 138 Ca 0.03 0.03 0.05 0.00 -1.02 0.00 0.00 57.50 56.58 3h0r n TRP 138 Cb 0.05 -0.25 -0.01 0.00 -2.42 0.00 0.00 31.31 28.69 3h0r n TRP 138 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h0r s ASP 139 N -3.54 -0.86 0.00 -0.99 -1.08 -0.37 -4.91 116.67 104.92 3h0r s ASP 139 Ca 0.04 0.27 0.12 0.00 -0.52 0.00 0.00 52.55 52.47 3h0r s ASP 139 Cb 0.15 1.61 0.68 0.00 -1.46 0.00 0.00 42.92 43.91 3h0r s ASP 139 CO 0.84 -0.16 1.25 0.18 0.52 0.00 0.00 175.17 177.80 3h0r n LEU 140 N 5.33 0.00 -0.02 -1.34 4.77 -0.85 0.18 117.00 125.08 3h0r n LEU 140 Ca 0.02 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3h0r n LEU 140 Cb 0.55 -0.16 0.60 0.00 -2.33 0.00 0.00 43.42 42.08 3h0r n LEU 140 CO -0.09 -0.09 0.90 -0.62 -1.33 0.00 0.00 177.39 176.15 3h0r n GLU 141 N -1.16 0.19 -4.36 3.23 1.02 -1.26 -4.73 120.64 113.57 3h0r n GLU 141 Ca 0.07 -0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 3h0r n GLU 141 Cb 0.07 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 3h0r n GLU 141 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3h0r s ARG 142 N -2.83 1.62 0.37 3.49 0.52 0.13 -3.24 118.95 119.01 3h0r s ARG 142 Ca 0.19 -1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 53.82 3h0r s ARG 142 Cb 0.19 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 3h0r s ARG 142 CO 0.53 0.45 1.15 0.08 0.02 0.00 0.00 175.30 177.53 3h0r s VAL 143 N -1.28 3.27 -1.91 3.52 1.01 -0.20 -0.60 120.40 124.22 3h0r s VAL 143 Ca 0.18 1.11 0.29 0.00 0.00 0.00 0.00 61.98 63.56 3h0r s VAL 143 Cb -0.10 -3.64 0.57 0.00 0.00 0.00 0.00 36.38 33.21 3h0r s VAL 143 CO 0.09 0.14 1.90 -0.81 0.00 0.00 0.00 175.10 176.42 3h0r n PRO 144 N 0.34 0.97 0.00 2.72 -0.04 -1.26 -4.50 135.00 133.23 3h0r n PRO 144 Ca 0.03 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 3h0r n PRO 144 Cb 0.46 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3h0r n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h0r n GLY 145 N 1.20 -3.64 3.65 0.55 0.00 -1.26 -4.32 105.19 101.37 3h0r n GLY 145 Ca 0.17 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 3h0r n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0r s GLY 146 N -0.65 -0.34 0.27 -0.02 0.00 -1.05 -3.43 107.32 102.11 3h0r s GLY 146 Ca 0.00 0.46 0.21 0.00 0.00 0.00 0.00 44.72 45.39 3h0r s GLY 146 CO 0.00 0.13 1.24 1.48 0.00 0.00 0.00 173.10 175.95 3h0r h SER 147 N 2.00 0.00 0.00 1.64 4.64 -1.54 -3.38 113.55 116.91 3h0r h SER 147 Ca -0.24 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.97 3h0r h SER 147 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 3h0r h SER 147 CO 0.28 0.14 -0.11 -1.20 -0.87 0.00 0.00 176.83 175.08 3h0r n SER 148 N -2.91 3.74 -0.01 4.97 7.64 -0.82 -2.91 113.62 123.32 3h0r n SER 148 Ca 0.00 -2.16 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 3h0r n SER 148 Cb 0.61 -0.97 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 3h0r n SER 148 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h0r h GLY 149 N 4.91 0.09 1.96 0.23 0.00 -1.70 -2.28 103.07 106.28 3h0r h GLY 149 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3h0r h GLY 149 CO 0.25 -0.04 -0.38 -1.33 0.00 0.00 0.00 176.54 175.04 3h0r h GLY 150 N 0.00 0.05 1.79 4.60 0.00 -1.68 -1.38 103.07 106.45 3h0r h GLY 150 Ca 0.06 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 3h0r h GLY 150 CO -0.12 0.04 -0.79 1.76 0.00 0.00 0.00 176.54 177.43 3h0r h SER 151 N 0.04 0.24 0.15 0.19 0.02 -1.67 -1.91 113.55 110.61 3h0r h SER 151 Ca 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3h0r h SER 151 Cb 0.68 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3h0r h SER 151 CO 0.05 0.93 -0.07 0.00 -1.14 0.00 0.00 176.83 176.60 3h0r h ALA 152 N 1.06 -0.21 -0.50 3.77 0.00 -1.28 -3.17 119.26 118.92 3h0r h ALA 152 Ca -0.03 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3h0r h ALA 152 Cb 1.37 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3h0r h ALA 152 CO 0.12 -0.33 0.13 0.00 0.00 0.00 0.00 179.25 179.17 3h0r h ALA 153 N -0.13 0.59 0.00 0.00 0.00 -1.22 -0.17 119.26 118.33 3h0r h ALA 153 Ca -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3h0r h ALA 153 Cb 0.53 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3h0r h ALA 153 CO 0.03 -0.27 -0.32 0.66 0.00 0.00 0.00 179.25 179.35 3h0r h SER 154 N 0.29 0.00 0.82 0.00 4.64 -1.47 -0.11 113.55 117.72 3h0r h SER 154 Ca 0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 3h0r h SER 154 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3h0r h SER 154 CO -0.30 0.32 -0.88 0.58 -0.87 0.00 0.00 176.83 175.69 3h0r h VAL 155 N 0.00 1.60 0.05 0.95 2.07 -1.25 -1.16 116.25 118.52 3h0r h VAL 155 Ca -0.00 -2.92 -0.00 0.00 0.82 0.00 0.00 66.70 64.60 3h0r h VAL 155 Cb 0.66 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3h0r h VAL 155 CO 0.04 0.84 -0.02 0.00 0.02 0.00 0.00 177.57 178.44 3h0r h ALA 156 N 1.09 -0.07 0.00 1.67 0.00 0.53 -2.77 119.26 119.71 3h0r h ALA 156 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h0r h ALA 156 Cb 1.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3h0r h ALA 156 CO 0.12 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.33 3h0r n VAL 157 N -4.96 0.58 -2.15 0.00 0.24 -0.21 -4.43 118.33 107.39 3h0r n VAL 157 Ca -0.08 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 3h0r n VAL 157 Cb 0.20 -0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 31.79 3h0r n VAL 157 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h0r n LEU 158 N -1.97 -1.50 0.14 1.34 4.77 -0.61 -4.89 117.00 114.28 3h0r n LEU 158 Ca 0.05 0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3h0r n LEU 158 Cb 0.32 -1.93 0.53 0.00 -2.33 0.00 0.00 43.42 40.01 3h0r n LEU 158 CO 0.25 -0.18 0.85 -1.54 -1.33 0.00 0.00 177.39 175.44 3h0r n SER 159 N -0.32 0.65 -3.77 -1.43 3.41 -0.54 -4.64 113.62 106.99 3h0r n SER 159 Ca -0.14 0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 59.03 3h0r n SER 159 Cb 0.59 -0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 3h0r n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h0r s ALA 160 N -3.40 -0.76 0.18 7.33 0.00 -1.02 -4.68 121.76 119.40 3h0r s ALA 160 Ca 0.02 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3h0r s ALA 160 Cb 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3h0r s ALA 160 CO 0.34 -0.23 1.40 -1.00 0.00 0.00 0.00 175.76 176.27 3h0r h PRO 161 N 4.29 0.19 -3.82 0.00 0.13 -1.82 -3.34 132.00 127.63 3h0r h PRO 161 Ca -0.29 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 3h0r h PRO 161 Cb 1.18 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.20 3h0r h PRO 161 CO 0.38 0.92 -0.49 0.54 -0.23 0.00 0.00 178.00 179.11 3h0r s VAL 162 N -3.28 0.14 -0.01 1.56 0.11 -1.26 -4.26 120.40 113.40 3h0r s VAL 162 Ca -0.03 -1.16 -0.19 0.00 -2.93 0.00 0.00 61.98 57.66 3h0r s VAL 162 Cb 0.10 -1.05 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3h0r s VAL 162 CO 0.82 -0.64 0.42 -0.55 -3.33 0.00 0.00 175.10 171.82 3h0r s SER 163 N -2.35 -0.32 -0.14 3.54 0.15 -0.27 -2.75 113.70 111.56 3h0r s SER 163 Ca -0.02 0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.83 3h0r s SER 163 Cb 0.01 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 3h0r s SER 163 CO -0.06 -0.52 -0.04 -0.76 1.20 0.00 0.00 173.24 173.06 3h0r s LEU 164 N -1.40 3.27 0.00 3.45 1.02 -0.64 -0.89 118.68 123.49 3h0r s LEU 164 Ca -0.12 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 53.94 3h0r s LEU 164 Cb -0.03 -1.78 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 3h0r s LEU 164 CO 0.05 0.20 0.04 0.61 0.02 0.00 0.00 176.35 177.26 3h0r n GLY 165 N 3.33 3.85 3.23 -3.19 0.00 -0.71 -1.88 105.19 109.82 3h0r n GLY 165 Ca -0.17 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 3h0r n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h0r s SER 166 N -1.88 1.72 -0.20 1.61 1.04 -1.26 -1.38 113.70 113.35 3h0r s SER 166 Ca 0.05 -0.97 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3h0r s SER 166 Cb 0.00 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.18 3h0r s SER 166 CO 0.04 -0.31 0.05 -0.62 0.98 0.00 0.00 173.24 173.38 3h0r s ASP 167 N -3.00 2.89 -0.20 7.02 -1.08 0.08 -3.22 116.67 119.17 3h0r s ASP 167 Ca 0.14 -0.85 0.14 0.00 -0.52 0.00 0.00 52.55 51.46 3h0r s ASP 167 Cb 0.01 -0.53 -0.22 0.00 -1.46 0.00 0.00 42.92 40.73 3h0r s ASP 167 CO 0.00 -0.33 0.01 0.41 0.52 0.00 0.00 175.17 175.79 3h0r n THR 168 N 5.09 1.31 -2.06 1.71 -1.04 -1.26 -1.79 114.28 116.24 3h0r n THR 168 Ca -0.08 -0.75 -0.03 0.00 -2.04 0.00 0.00 64.05 61.15 3h0r n THR 168 Cb 0.47 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 68.29 3h0r n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h0r n GLY 169 N 1.93 0.71 0.00 3.41 0.00 -1.26 -4.65 105.19 105.33 3h0r n GLY 169 Ca -0.33 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3h0r n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0r n GLY 170 N 0.06 1.59 0.00 -0.02 0.00 -1.26 -3.52 105.19 102.04 3h0r n GLY 170 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3h0r n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h0r n SER 171 N 0.00 0.00 -0.12 1.61 7.64 -1.26 -0.75 113.62 120.74 3h0r n SER 171 Ca 0.00 0.43 -0.22 0.00 1.01 0.00 0.00 58.87 60.08 3h0r n SER 171 Cb 0.00 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.65 3h0r n SER 171 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3h0r n ILE 172 N -1.47 1.52 0.00 0.44 5.41 -1.20 -1.95 119.36 122.11 3h0r n ILE 172 Ca 0.05 -0.18 -0.11 0.00 1.00 0.00 0.00 62.75 63.51 3h0r n ILE 172 Cb 0.20 -2.04 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 3h0r n ILE 172 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3h0r h ARG 173 N -1.00 0.06 -0.54 0.38 3.08 -1.69 -1.40 114.38 113.27 3h0r h ARG 173 Ca -0.45 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 3h0r h ARG 173 Cb 1.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 3h0r h ARG 173 CO -0.27 0.04 0.00 -0.56 -1.07 0.00 0.00 179.97 178.11 3h0r h GLN 174 N 0.06 0.95 -0.74 0.04 3.07 -1.24 0.23 115.11 117.47 3h0r h GLN 174 Ca 0.04 -0.30 0.03 0.00 0.09 0.00 0.00 58.65 58.51 3h0r h GLN 174 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 27.48 27.46 3h0r h GLN 174 CO -0.05 0.96 0.49 -1.35 0.09 0.00 0.00 178.83 178.97 3h0r h PRO 175 N 0.82 0.90 -0.79 0.06 0.11 -1.74 -1.07 132.00 130.29 3h0r h PRO 175 Ca 0.15 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 3h0r h PRO 175 Cb 0.53 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3h0r h PRO 175 CO 0.03 0.60 0.34 0.00 -0.21 0.00 0.00 178.00 178.76 3h0r h ALA 176 N 1.56 1.11 0.41 -0.75 0.00 -0.40 0.04 119.26 121.22 3h0r h ALA 176 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h0r h ALA 176 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3h0r h ALA 176 CO -0.08 0.65 -0.20 1.03 0.00 0.00 0.00 179.25 180.65 3h0r h SER 177 N 1.14 -0.46 -0.03 0.00 0.87 -0.57 -0.89 113.55 113.61 3h0r h SER 177 Ca 0.27 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3h0r h SER 177 Cb 0.17 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3h0r h SER 177 CO -0.03 -0.17 0.02 -0.26 -0.53 0.00 0.00 176.83 175.86 3h0r h PHE 178 N -0.76 0.00 -0.24 2.24 -1.00 -1.07 -2.69 116.94 113.42 3h0r h PHE 178 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 3h0r h PHE 178 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 3h0r h PHE 178 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 3h0r n GLY 180 N 1.31 0.03 3.11 0.00 0.00 -0.66 -4.75 105.19 104.22 3h0r n GLY 180 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3h0r n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0r s VAL 181 N -3.20 0.40 0.15 1.61 1.01 -0.43 -4.88 120.40 115.05 3h0r s VAL 181 Ca 0.22 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 3h0r s VAL 181 Cb -0.09 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 3h0r s VAL 181 CO 0.43 -0.86 1.05 -0.63 0.00 0.00 0.00 175.10 175.08 3h0r s ILE 182 N -3.40 4.13 -0.13 2.22 1.01 0.59 -4.31 121.20 121.31 3h0r s ILE 182 Ca 0.05 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.45 3h0r s ILE 182 Cb 0.04 -4.15 0.06 0.00 0.01 0.00 0.00 42.46 38.42 3h0r s ILE 182 CO -0.07 0.29 0.28 -0.83 0.00 0.00 0.00 174.94 174.62 3h0r s GLY 183 N -0.04 -0.15 -0.06 6.18 0.00 -0.82 -0.69 107.32 111.74 3h0r s GLY 183 Ca 0.49 1.02 0.04 0.00 0.00 0.00 0.00 44.72 46.27 3h0r s GLY 183 CO 0.32 1.89 -0.19 -1.50 0.00 0.00 0.00 173.10 173.63 3h0r s ILE 184 N 2.23 2.58 -0.26 0.90 2.07 -0.40 -0.65 121.20 127.68 3h0r s ILE 184 Ca -0.01 -0.88 -0.05 0.00 -1.41 0.00 0.00 60.65 58.30 3h0r s ILE 184 Cb -0.12 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.48 3h0r s ILE 184 CO -0.09 0.57 0.02 -0.75 -1.91 0.00 0.00 174.94 172.78 3h0r s LYS 185 N -0.31 3.22 1.15 3.50 2.20 -0.26 -1.94 119.74 127.30 3h0r s LYS 185 Ca 0.02 -0.75 -0.19 0.00 -0.36 0.00 0.00 55.97 54.68 3h0r s LYS 185 Cb -0.13 -3.18 0.28 0.00 -1.51 0.00 0.00 37.83 33.28 3h0r s LYS 185 CO 0.02 -0.32 1.19 -1.25 -0.36 0.00 0.00 175.35 174.64 3h0r s PRO 186 N 1.48 -0.87 0.45 4.03 0.04 -1.26 -1.01 135.00 137.86 3h0r s PRO 186 Ca 0.04 -0.29 -0.24 0.00 0.04 0.00 0.00 61.00 60.54 3h0r s PRO 186 Cb -0.16 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 3h0r s PRO 186 CO -0.00 -3.44 1.24 2.41 0.04 0.00 0.00 177.00 177.25 3h0r n THR 187 N -4.52 2.79 -1.67 1.26 -1.04 -1.26 -4.31 114.28 105.53 3h0r n THR 187 Ca 0.15 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 3h0r n THR 187 Cb 0.60 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 3h0r n THR 187 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h0r n TYR 188 N -0.44 2.54 0.00 -1.42 9.36 -0.38 -1.01 117.16 125.81 3h0r n TYR 188 Ca 0.08 -0.31 0.00 0.00 3.32 0.00 0.00 57.90 60.99 3h0r n TYR 188 Cb 0.41 -2.78 0.00 0.00 -0.63 0.00 0.00 39.34 36.33 3h0r n TYR 188 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h0r n GLY 189 N 4.47 1.04 0.16 2.98 0.00 -1.26 -4.92 105.19 107.67 3h0r n GLY 189 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 3h0r n GLY 189 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0r h ARG 190 N 2.79 0.00 -5.08 1.61 2.43 -1.40 -1.44 114.38 113.29 3h0r h ARG 190 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3h0r h ARG 190 Cb 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 3h0r h ARG 190 CO 0.00 0.50 -0.82 0.08 -1.51 0.00 0.00 179.97 178.22 3h0r s VAL 191 N -3.63 1.19 0.50 0.20 1.01 -1.26 -1.53 120.40 116.88 3h0r s VAL 191 Ca -0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 3h0r s VAL 191 Cb 0.12 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 3h0r s VAL 191 CO 0.73 0.35 1.25 -0.24 0.00 0.00 0.00 175.10 177.19 3h0r n SER 192 N 3.14 2.27 -1.23 3.32 2.88 -1.26 -4.72 113.62 118.02 3h0r n SER 192 Ca -0.18 1.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.45 3h0r n SER 192 Cb 0.54 -1.51 0.29 0.00 -0.75 0.00 0.00 64.21 62.78 3h0r n SER 192 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h0r n ARG 193 N -0.57 3.38 -2.23 -1.46 1.74 -1.26 -4.72 116.66 111.54 3h0r n ARG 193 Ca 0.09 -2.70 -0.43 0.00 -0.77 0.00 0.00 57.85 54.05 3h0r n ARG 193 Cb 0.43 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3h0r n ARG 193 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3h0r s TYR 194 N -1.85 2.20 0.00 -1.55 5.04 -1.26 -2.11 117.35 117.82 3h0r s TYR 194 Ca 0.43 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.71 3h0r s TYR 194 Cb 0.29 -4.25 0.00 0.00 0.35 0.00 0.00 41.96 38.34 3h0r s TYR 194 CO 0.20 -2.32 0.00 0.41 -1.34 0.00 0.00 175.55 172.50 3h0r n GLY 195 N 5.20 0.86 3.59 8.97 0.00 -1.26 -1.13 105.19 121.42 3h0r n GLY 195 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3h0r n GLY 195 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h0r s LEU 196 N 0.00 4.07 -0.06 0.99 2.96 -0.89 -1.03 118.68 124.72 3h0r s LEU 196 Ca 0.00 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 3h0r s LEU 196 Cb 0.00 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 3h0r s LEU 196 CO 0.00 -0.14 1.96 -0.69 -1.32 0.00 0.00 176.35 176.17 3h0r s VAL 197 N 1.92 3.13 0.08 1.68 1.01 0.58 -4.87 120.40 123.94 3h0r s VAL 197 Ca 0.11 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 3h0r s VAL 197 Cb -0.16 -3.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 3h0r s VAL 197 CO 0.11 -0.04 1.47 0.00 0.00 0.00 0.00 175.10 176.64 3h0r s ALA 198 N 5.40 3.63 0.00 5.51 0.00 -1.26 -4.95 121.76 130.09 3h0r s ALA 198 Ca 0.88 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3h0r s ALA 198 Cb -0.38 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3h0r s ALA 198 CO 0.38 -0.83 0.00 0.34 0.00 0.00 0.00 175.76 175.65 3h0r n PHE 199 N 4.73 0.00 -4.02 0.00 7.35 -1.26 -4.77 117.46 119.49 3h0r n PHE 199 Ca 0.13 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.49 3h0r n PHE 199 Cb 0.42 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.10 3h0r n PHE 199 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3h0r s ALA 200 N -4.60 2.64 0.40 3.13 0.00 -1.26 -2.98 121.76 119.09 3h0r s ALA 200 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.33 3h0r s ALA 200 Cb 0.00 -1.69 0.88 0.00 0.00 0.00 0.00 23.12 22.31 3h0r s ALA 200 CO 0.00 -1.17 1.97 0.77 0.00 0.00 0.00 175.76 177.34 3h0r h SER 201 N 7.86 0.52 0.48 0.00 0.02 -1.92 0.33 113.55 120.83 3h0r h SER 201 Ca -0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3h0r h SER 201 Cb 1.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3h0r h SER 201 CO 0.50 0.33 -0.22 -1.54 -1.14 0.00 0.00 176.83 174.76 3h0r n SER 202 N -4.48 0.50 -0.04 3.07 3.41 -1.26 -4.18 113.62 110.64 3h0r n SER 202 Ca 0.10 -0.38 -0.04 0.00 -0.26 0.00 0.00 58.87 58.29 3h0r n SER 202 Cb 0.28 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 3h0r n SER 202 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h0r n LEU 203 N -1.12 0.77 -4.72 1.04 4.77 -0.67 -4.97 117.00 112.10 3h0r n LEU 203 Ca 0.11 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3h0r n LEU 203 Cb 0.31 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3h0r n LEU 203 CO 0.27 0.29 0.99 0.47 -1.33 0.00 0.00 177.39 178.09 3h0r n ASP 204 N -2.38 3.12 -3.72 -1.43 8.00 0.02 -4.46 116.55 115.69 3h0r n ASP 204 Ca -0.12 1.21 -0.12 0.00 0.71 0.00 0.00 54.79 56.47 3h0r n ASP 204 Cb 0.70 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.17 3h0r n ASP 204 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h0r s GLN 205 N -1.80 0.40 0.44 -1.24 -1.52 -0.74 -4.86 119.66 110.34 3h0r s GLN 205 Ca 0.56 0.65 -0.26 0.00 -1.95 0.00 0.00 55.36 54.36 3h0r s GLN 205 Cb -0.54 0.07 -0.09 0.00 -0.22 0.00 0.00 33.01 32.23 3h0r s GLN 205 CO 0.61 -0.11 1.45 0.42 -0.25 0.00 0.00 175.29 177.41 3h0r s ILE 206 N 0.85 2.02 0.18 1.08 1.01 -1.26 -0.74 121.20 124.34 3h0r s ILE 206 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3h0r s ILE 206 Cb -0.06 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3h0r s ILE 206 CO -0.06 0.00 0.25 0.61 0.00 0.00 0.00 174.94 175.74 3h0r n GLY 207 N 0.55 2.63 3.10 6.18 0.00 -0.48 -4.48 105.19 112.70 3h0r n GLY 207 Ca 0.04 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 3h0r n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h0r s VAL 208 N -2.63 1.18 -0.08 1.61 1.01 -0.82 -1.74 120.40 118.93 3h0r s VAL 208 Ca 0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3h0r s VAL 208 Cb -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3h0r s VAL 208 CO 0.11 0.34 0.00 -0.36 0.00 0.00 0.00 175.10 175.20 3h0r s PHE 209 N -0.06 3.16 0.38 5.22 0.08 -0.07 -1.27 117.98 125.42 3h0r s PHE 209 Ca -0.00 0.19 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 3h0r s PHE 209 Cb -0.09 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3h0r s PHE 209 CO 0.01 0.47 0.72 0.20 -0.10 0.00 0.00 175.22 176.52 3h0r s GLY 210 N -0.92 0.62 -0.05 4.36 0.00 0.13 -1.11 107.32 110.35 3h0r s GLY 210 Ca 0.14 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.02 3h0r s GLY 210 CO 0.03 -0.46 0.11 0.54 0.00 0.00 0.00 173.10 173.32 3h0r n ARG 211 N -0.54 1.46 -4.85 2.90 1.74 -1.26 -0.30 116.66 115.80 3h0r n ARG 211 Ca -0.06 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 3h0r n ARG 211 Cb 0.60 -1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 30.69 3h0r n ARG 211 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h0r s ARG 212 N -2.42 2.21 0.46 5.56 0.52 -1.26 -4.45 118.95 119.56 3h0r s ARG 212 Ca -0.04 -0.89 0.17 0.00 -0.52 0.00 0.00 55.73 54.46 3h0r s ARG 212 Cb 0.04 -2.22 1.09 0.00 0.52 0.00 0.00 34.95 34.38 3h0r s ARG 212 CO 0.37 0.57 2.00 1.15 0.02 0.00 0.00 175.30 179.40 3h0r h THR 213 N 4.18 1.01 -0.55 0.02 2.02 -1.93 -2.04 112.91 115.62 3h0r h THR 213 Ca -0.46 -0.66 -0.12 0.00 0.77 0.00 0.00 66.41 65.94 3h0r h THR 213 Cb 1.15 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 3h0r h THR 213 CO 0.48 0.18 -0.10 -0.33 0.37 0.00 0.00 175.52 176.12 3h0r h GLU 214 N 0.00 1.05 -0.04 6.66 5.08 -1.95 -0.37 114.58 125.00 3h0r h GLU 214 Ca -0.00 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3h0r h GLU 214 Cb 0.35 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3h0r h GLU 214 CO 0.02 1.08 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.49 3h0r h ASP 215 N 0.93 -0.55 -0.50 1.42 5.19 -1.80 -1.69 116.42 119.43 3h0r h ASP 215 Ca 0.14 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.59 3h0r h ASP 215 Cb 0.68 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3h0r h ASP 215 CO 0.05 -0.24 0.12 0.58 -3.12 0.00 0.00 179.24 176.62 3h0r h VAL 216 N -0.28 1.24 -0.40 -1.35 2.07 -1.32 -2.18 116.25 114.03 3h0r h VAL 216 Ca 0.07 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3h0r h VAL 216 Cb 0.37 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3h0r h VAL 216 CO -0.20 0.31 0.11 0.00 0.02 0.00 0.00 177.57 177.81 3h0r h ALA 217 N 0.99 1.45 0.02 1.67 0.00 -0.97 -1.21 119.26 121.22 3h0r h ALA 217 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h0r h ALA 217 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h0r h ALA 217 CO 0.00 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.90 3h0r h LEU 218 N 0.57 -0.02 -0.75 0.00 5.85 -1.10 -2.08 115.31 117.78 3h0r h LEU 218 Ca 0.13 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3h0r h LEU 218 Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3h0r h LEU 218 CO -0.01 0.65 0.48 0.58 -0.34 0.00 0.00 178.44 179.81 3h0r h VAL 219 N -0.71 1.20 -0.91 1.05 2.07 -1.32 -1.80 116.25 115.83 3h0r h VAL 219 Ca -0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3h0r h VAL 219 Cb 0.66 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3h0r h VAL 219 CO 0.00 0.20 0.57 0.25 0.02 0.00 0.00 177.57 178.61 3h0r h LEU 220 N 1.02 1.07 -0.66 2.57 5.85 -1.29 -2.90 115.31 120.97 3h0r h LEU 220 Ca 0.27 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3h0r h LEU 220 Cb -0.09 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3h0r h LEU 220 CO -0.06 0.81 0.41 -0.08 -0.34 0.00 0.00 178.44 179.18 3h0r h GLU 221 N 1.24 0.89 -0.80 1.25 4.81 -0.61 -2.32 114.58 119.04 3h0r h GLU 221 Ca 0.33 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 3h0r h GLU 221 Cb -0.08 -0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.03 3h0r h GLU 221 CO -0.06 0.62 0.43 0.28 -0.73 0.00 0.00 179.01 179.55 3h0r h VAL 222 N 0.89 0.85 0.00 0.32 2.07 -1.15 -3.33 116.25 115.91 3h0r h VAL 222 Ca 0.24 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h0r h VAL 222 Cb -0.05 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3h0r h VAL 222 CO -0.05 0.13 -1.37 2.30 0.02 0.00 0.00 177.57 178.61 3h0r n ILE 223 N -4.80 0.00 -1.83 4.57 -5.35 -1.04 -4.88 119.36 106.02 3h0r n ILE 223 Ca 0.14 -0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.13 3h0r n ILE 223 Cb 0.31 0.35 0.16 0.00 -1.74 0.00 0.00 39.64 38.72 3h0r n ILE 223 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3h0r n SER 224 N -1.80 0.19 0.00 7.28 7.64 -0.90 -4.51 113.62 121.52 3h0r n SER 224 Ca -0.01 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.42 3h0r n SER 224 Cb 0.27 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3h0r n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h0r n GLY 225 N -1.93 1.25 3.77 0.23 0.00 -0.58 -4.98 105.19 102.95 3h0r n GLY 225 Ca 0.13 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 3h0r n GLY 225 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h0r s TRP 226 N -2.61 3.02 -0.09 1.61 -0.00 -1.25 -4.52 118.94 115.09 3h0r s TRP 226 Ca 0.00 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 3h0r s TRP 226 Cb 0.00 -3.37 0.02 0.00 -0.00 0.00 0.00 33.47 30.12 3h0r s TRP 226 CO 0.00 -1.33 -0.08 0.34 -0.00 0.00 0.00 176.95 175.88 3h0r s ASP 227 N -1.24 1.92 0.51 5.86 2.15 -1.26 -5.01 116.67 119.59 3h0r s ASP 227 Ca 0.59 -0.27 0.33 0.00 0.43 0.00 0.00 52.55 53.64 3h0r s ASP 227 Cb -0.29 -0.76 1.47 0.00 -0.30 0.00 0.00 42.92 43.03 3h0r s ASP 227 CO 0.36 -0.08 1.99 1.05 -0.17 0.00 0.00 175.17 178.32 3h0r h GLU 228 N 7.82 0.00 -0.00 4.34 4.11 -1.96 -1.96 114.58 126.93 3h0r h GLU 228 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3h0r h GLU 228 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3h0r h GLU 228 CO 0.42 0.00 -0.02 1.63 0.07 0.00 0.00 179.01 181.10 3h0r n LYS 229 N -2.90 1.08 -3.84 1.06 5.02 -1.26 -4.68 118.16 112.65 3h0r n LYS 229 Ca 0.00 -0.30 -0.29 0.00 -2.02 0.00 0.00 58.31 55.70 3h0r n LYS 229 Cb 0.24 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.60 3h0r n LYS 229 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h0r s ASP 230 N -2.12 3.56 0.53 4.39 -1.08 -0.74 -4.80 116.67 116.40 3h0r s ASP 230 Ca 0.41 -1.14 0.18 0.00 -0.52 0.00 0.00 52.55 51.48 3h0r s ASP 230 Cb 0.21 -0.93 1.35 0.00 -1.46 0.00 0.00 42.92 42.09 3h0r s ASP 230 CO 0.39 -0.29 2.15 0.28 0.52 0.00 0.00 175.17 178.22 3h0r h SER 231 N 8.07 0.00 0.20 -0.34 0.02 -1.83 -2.36 113.55 117.31 3h0r h SER 231 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3h0r h SER 231 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3h0r h SER 231 CO 0.40 0.02 -0.32 0.35 -1.14 0.00 0.00 176.83 176.14 3h0r n THR 232 N -4.38 0.00 -2.58 -2.27 -2.24 -1.26 -4.87 114.28 96.67 3h0r n THR 232 Ca -0.03 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3h0r n THR 232 Cb 0.11 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 3h0r n THR 232 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h0r s SER 233 N -2.52 7.38 0.18 3.42 1.04 -0.89 -4.41 113.70 117.90 3h0r s SER 233 Ca 0.22 2.07 -0.22 0.00 0.48 0.00 0.00 55.95 58.51 3h0r s SER 233 Cb 0.19 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.62 3h0r s SER 233 CO 0.54 -0.09 0.73 0.00 0.98 0.00 0.00 173.24 175.40 3h0r s ALA 234 N -0.68 3.45 -1.43 5.32 0.00 -0.54 -4.74 121.76 123.13 3h0r s ALA 234 Ca 0.46 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 3h0r s ALA 234 Cb -0.29 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.04 3h0r s ALA 234 CO 0.35 0.32 2.27 1.63 0.00 0.00 0.00 175.76 180.33 3h0r n LYS 235 N 1.21 3.32 -4.53 0.00 5.02 -1.26 -3.94 118.16 117.98 3h0r n LYS 235 Ca -0.05 -2.85 -0.24 0.00 -2.02 0.00 0.00 58.31 53.16 3h0r n LYS 235 Cb 0.50 -3.07 -0.16 0.00 -0.02 0.00 0.00 35.03 32.28 3h0r n LYS 235 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h0r s VAL 236 N 1.96 1.05 0.39 -0.18 1.01 -1.26 -5.08 120.40 118.29 3h0r s VAL 236 Ca 0.49 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 3h0r s VAL 236 Cb 0.14 -0.96 -0.11 0.00 0.00 0.00 0.00 36.38 35.45 3h0r s VAL 236 CO -0.06 0.33 1.43 -0.81 0.00 0.00 0.00 175.10 176.00 3h0r n PRO 237 N 3.77 2.48 -2.77 2.72 -0.04 -1.26 -4.55 135.00 135.35 3h0r n PRO 237 Ca -0.23 0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 63.68 3h0r n PRO 237 Cb 0.52 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 3h0r n PRO 237 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h0r s VAL 238 N -1.13 4.78 0.57 0.52 1.01 -1.26 -5.03 120.40 119.87 3h0r s VAL 238 Ca 0.55 1.85 -0.20 0.00 0.00 0.00 0.00 61.98 64.18 3h0r s VAL 238 Cb -0.49 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 3h0r s VAL 238 CO 0.62 -0.07 1.27 -2.84 0.00 0.00 0.00 175.10 174.08 3h0r s PRO 239 N 2.63 3.04 -1.26 2.72 0.02 -1.26 -4.89 135.00 135.99 3h0r s PRO 239 Ca 0.42 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 63.25 3h0r s PRO 239 Cb -0.16 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.29 3h0r s PRO 239 CO 0.10 -1.20 1.82 0.39 -0.33 0.00 0.00 177.00 177.78 3h0r n GLU 240 N -1.33 2.66 -0.06 5.54 1.02 -1.26 -4.78 120.64 122.43 3h0r n GLU 240 Ca 0.12 -2.99 -0.03 0.00 -0.02 0.00 0.00 57.16 54.24 3h0r n GLU 240 Cb 0.48 -3.56 0.20 0.00 -0.02 0.00 0.00 31.44 28.53 3h0r n GLU 240 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3h0r h TRP 241 N 8.20 0.72 -0.61 -0.32 6.55 -1.90 -2.37 115.95 126.23 3h0r h TRP 241 Ca 0.38 -0.10 0.05 0.00 0.95 0.00 0.00 58.89 60.17 3h0r h TRP 241 Cb 0.88 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.95 3h0r h TRP 241 CO 1.36 0.71 0.40 0.66 -1.05 0.00 0.00 178.44 180.52 3h0r h SER 242 N 0.63 0.55 0.22 -3.49 4.64 -1.87 -0.51 113.55 113.72 3h0r h SER 242 Ca 0.12 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3h0r h SER 242 Cb 0.47 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3h0r h SER 242 CO 0.02 0.36 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.48 3h0r n GLU 243 N -4.47 0.88 -0.04 4.77 -0.58 -0.95 -4.37 120.64 115.88 3h0r n GLU 243 Ca 0.08 -0.52 -0.02 0.00 -0.42 0.00 0.00 57.16 56.28 3h0r n GLU 243 Cb 0.21 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.49 3h0r n GLU 243 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h0r n GLU 244 N -0.60 1.52 -0.02 3.49 4.07 -0.34 -4.56 120.64 124.19 3h0r n GLU 244 Ca 0.12 -0.04 0.01 0.00 -0.06 0.00 0.00 57.16 57.19 3h0r n GLU 244 Cb 0.35 -1.29 0.33 0.00 -0.06 0.00 0.00 31.44 30.77 3h0r n GLU 244 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 3h0r h VAL 245 N 0.00 1.17 0.00 6.31 -1.51 -1.38 -2.89 116.25 117.94 3h0r h VAL 245 Ca -0.20 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 3h0r h VAL 245 Cb 1.31 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3h0r h VAL 245 CO 0.01 0.20 -0.09 0.11 -1.23 0.00 0.00 177.57 176.58 3h0r h LYS 246 N 0.58 0.00 -7.26 5.19 1.57 -1.83 -3.40 116.57 111.42 3h0r h LYS 246 Ca 0.14 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.40 3h0r h LYS 246 Cb 0.15 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.63 3h0r h LYS 246 CO -0.01 0.09 0.29 0.15 -0.57 0.00 0.00 179.45 179.39 3h0r s LYS 247 N -3.30 1.63 -0.09 3.15 1.02 -1.09 -5.06 119.74 116.00 3h0r s LYS 247 Ca 0.05 1.47 0.01 0.00 0.02 0.00 0.00 55.97 57.52 3h0r s LYS 247 Cb 0.07 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 3h0r s LYS 247 CO 0.65 -2.16 -0.09 -2.00 -0.92 0.00 0.00 175.35 170.83 3h0r s GLU 248 N -4.57 1.50 -0.20 1.68 2.12 -1.26 -4.93 118.70 113.05 3h0r s GLU 248 Ca 0.66 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.64 3h0r s GLU 248 Cb -0.22 -1.42 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 3h0r s GLU 248 CO 0.55 -0.13 0.03 0.08 -0.54 0.00 0.00 175.26 175.25 3h0r s VAL 249 N 1.21 4.31 0.36 3.70 1.01 -1.26 -5.10 120.40 124.63 3h0r s VAL 249 Ca -0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 3h0r s VAL 249 Cb -0.14 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 3h0r s VAL 249 CO -0.02 0.43 0.98 -0.54 0.00 0.00 0.00 175.10 175.95 3h0r s LYS 250 N 0.80 4.42 -0.89 2.72 1.02 -1.26 -4.22 119.74 122.32 3h0r s LYS 250 Ca 0.02 1.37 -0.01 0.00 0.02 0.00 0.00 55.97 57.37 3h0r s LYS 250 Cb -0.14 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3h0r s LYS 250 CO 0.02 0.11 0.10 0.41 -0.92 0.00 0.00 175.35 175.08 3h0r n GLY 251 N 0.35 -0.04 3.76 -3.33 0.00 -1.26 -5.01 105.19 99.66 3h0r n GLY 251 Ca 0.03 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3h0r n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 252 N -3.32 3.51 -0.01 0.99 1.43 -1.26 -4.88 118.68 115.14 3h0r s LEU 252 Ca 0.05 2.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 3h0r s LEU 252 Cb -0.02 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 3h0r s LEU 252 CO 0.06 -1.63 -0.20 -0.54 0.23 0.00 0.00 176.35 174.28 3h0r s LYS 253 N -3.73 1.57 -0.13 1.70 1.02 -1.26 -2.30 119.74 116.61 3h0r s LYS 253 Ca 0.71 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 56.02 3h0r s LYS 253 Cb -0.24 -1.53 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 3h0r s LYS 253 CO 0.37 0.42 -0.21 0.42 -0.92 0.00 0.00 175.35 175.42 3h0r s ILE 254 N -0.48 2.00 -0.08 2.17 1.01 0.26 -1.29 121.20 124.79 3h0r s ILE 254 Ca 0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 3h0r s ILE 254 Cb -0.08 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 3h0r s ILE 254 CO -0.01 0.54 0.35 -0.83 0.00 0.00 0.00 174.94 174.99 3h0r s GLY 255 N 0.79 2.35 -0.32 6.18 0.00 -0.40 -0.77 107.32 115.14 3h0r s GLY 255 Ca -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 3h0r s GLY 255 CO -0.01 0.24 0.05 1.08 0.00 0.00 0.00 173.10 174.46 3h0r s LEU 256 N -0.41 4.08 0.06 0.66 1.43 0.57 -1.84 118.68 123.23 3h0r s LEU 256 Ca 0.21 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 3h0r s LEU 256 Cb -0.15 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 3h0r s LEU 256 CO 0.09 -0.29 1.82 -2.84 0.23 0.00 0.00 176.35 175.36 3h0r s PRO 257 N 1.33 4.16 0.46 1.29 0.02 -1.26 -1.13 135.00 139.86 3h0r s PRO 257 Ca -0.03 2.50 0.13 0.00 0.02 0.00 0.00 61.00 63.62 3h0r s PRO 257 Cb -0.20 -3.83 1.07 0.00 0.02 0.00 0.00 34.50 31.57 3h0r s PRO 257 CO 0.01 -0.86 2.05 0.87 -0.33 0.00 0.00 177.00 178.74 3h0r h LYS 258 N 9.31 0.30 0.00 5.54 1.57 -0.93 -1.59 116.57 130.77 3h0r h LYS 258 Ca -0.46 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3h0r h LYS 258 Cb 1.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3h0r h LYS 258 CO 0.94 0.20 -0.03 0.93 -0.57 0.00 0.00 179.45 180.93 3h0r h GLU 259 N 0.31 0.00 0.00 3.15 3.07 -1.88 -2.46 114.58 116.77 3h0r h GLU 259 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3h0r h GLU 259 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3h0r h GLU 259 CO -0.04 0.03 0.00 1.19 -1.40 0.00 0.00 179.01 178.79 3h0r n PHE 260 N -3.12 0.87 0.22 4.33 3.72 -0.60 -2.86 117.46 120.03 3h0r n PHE 260 Ca 0.02 0.28 0.05 0.00 -0.05 0.00 0.00 57.45 57.76 3h0r n PHE 260 Cb 0.41 -0.96 0.50 0.00 -0.94 0.00 0.00 39.48 38.49 3h0r n PHE 260 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3h0r h PHE 261 N 0.00 0.00 -0.01 1.38 0.04 -1.53 -2.09 116.94 114.74 3h0r h PHE 261 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h0r h PHE 261 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3h0r h PHE 261 CO 0.00 0.21 -0.03 0.39 -0.60 0.00 0.00 178.31 178.28 3h0r n GLU 262 N -4.21 1.13 -2.74 1.51 -0.58 -1.13 -4.82 120.64 109.79 3h0r n GLU 262 Ca -0.02 -0.38 -0.42 0.00 -0.42 0.00 0.00 57.16 55.92 3h0r n GLU 262 Cb 0.28 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 3h0r n GLU 262 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3h0r s TYR 263 N -2.13 3.59 -0.24 -0.32 1.51 -0.79 -4.98 117.35 113.99 3h0r s TYR 263 Ca 0.39 1.60 -0.29 0.00 -1.01 0.00 0.00 57.07 57.77 3h0r s TYR 263 Cb 0.21 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.92 3h0r s TYR 263 CO 0.39 -0.08 1.87 -1.21 -1.11 0.00 0.00 175.55 175.40 3h0r s GLU 264 N 1.38 3.49 0.08 -0.62 2.02 -1.26 -4.99 118.70 118.80 3h0r s GLU 264 Ca 0.49 1.76 0.06 0.00 0.02 0.00 0.00 54.97 57.29 3h0r s GLU 264 Cb -0.20 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.80 3h0r s GLU 264 CO 0.23 -1.68 -0.05 -0.51 0.02 0.00 0.00 175.26 173.27 3h0r s LEU 265 N 6.55 3.26 0.29 1.80 1.43 -1.26 -4.84 118.68 125.90 3h0r s LEU 265 Ca 0.84 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 3h0r s LEU 265 Cb -0.28 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3h0r s LEU 265 CO 0.34 0.19 1.35 -1.10 0.23 0.00 0.00 176.35 177.35 3h0r s GLN 266 N -2.16 4.34 0.34 1.70 -0.21 0.29 -4.88 119.66 119.08 3h0r s GLN 266 Ca 0.23 2.22 0.07 0.00 0.02 0.00 0.00 55.36 57.90 3h0r s GLN 266 Cb -0.11 -3.10 0.76 0.00 1.00 0.00 0.00 33.01 31.56 3h0r s GLN 266 CO 0.15 -0.26 1.86 -1.35 -2.12 0.00 0.00 175.29 173.56 3h0r h PRO 267 N 4.17 0.74 -0.62 2.91 0.11 -1.99 -0.11 132.00 137.21 3h0r h PRO 267 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h0r h PRO 267 Cb 1.22 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3h0r h PRO 267 CO 0.71 0.49 0.38 1.96 -0.21 0.00 0.00 178.00 181.33 3h0r h GLN 268 N 0.76 0.83 -0.10 1.05 7.50 -1.97 -0.03 115.11 123.14 3h0r h GLN 268 Ca 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 58.65 59.53 3h0r h GLN 268 Cb 0.68 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 3h0r h GLN 268 CO -0.22 0.58 0.02 0.28 -1.50 0.00 0.00 178.83 177.99 3h0r h VAL 269 N 0.83 1.19 -0.22 -0.54 2.07 -1.50 -0.77 116.25 117.32 3h0r h VAL 269 Ca 0.22 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3h0r h VAL 269 Cb -0.04 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3h0r h VAL 269 CO -0.04 0.17 -0.38 0.50 0.02 0.00 0.00 177.57 177.83 3h0r h LYS 270 N -0.05 -0.39 -0.34 1.57 3.64 -0.83 0.46 116.57 120.64 3h0r h LYS 270 Ca 0.03 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3h0r h LYS 270 Cb 0.25 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3h0r h LYS 270 CO 0.00 -0.26 0.04 0.93 -2.27 0.00 0.00 179.45 177.89 3h0r h GLU 271 N -0.41 0.15 -0.86 1.90 5.08 -0.93 -0.38 114.58 119.13 3h0r h GLU 271 Ca 0.11 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3h0r h GLU 271 Cb 0.59 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3h0r h GLU 271 CO -0.44 0.10 0.56 0.00 -1.00 0.00 0.00 179.01 178.23 3h0r h ALA 272 N 1.27 1.12 -0.12 3.43 0.00 -0.68 -2.20 119.26 122.07 3h0r h ALA 272 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3h0r h ALA 272 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h0r h ALA 272 CO -0.23 0.42 -0.35 0.35 0.00 0.00 0.00 179.25 179.44 3h0r h PHE 273 N 1.10 0.59 -0.73 0.00 3.57 -0.36 -1.74 116.94 119.38 3h0r h PHE 273 Ca 0.33 -0.23 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3h0r h PHE 273 Cb -0.03 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3h0r h PHE 273 CO -0.02 0.97 0.36 0.93 -2.23 0.00 0.00 178.31 178.32 3h0r h GLU 274 N 0.04 0.59 -0.51 1.11 5.08 -1.02 -1.29 114.58 118.58 3h0r h GLU 274 Ca -0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3h0r h GLU 274 Cb 0.97 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3h0r h GLU 274 CO 0.08 0.39 0.05 -0.97 -1.00 0.00 0.00 179.01 177.56 3h0r h ASN 275 N 0.61 0.83 -0.67 1.42 -0.73 -1.35 -0.45 115.58 115.24 3h0r h ASN 275 Ca 0.36 -0.28 0.08 0.00 1.87 0.00 0.00 56.30 58.34 3h0r h ASN 275 Cb 0.39 -0.22 -0.07 0.00 0.27 0.00 0.00 38.32 38.70 3h0r h ASN 275 CO -0.28 0.90 0.33 0.15 -0.37 0.00 0.00 177.43 178.17 3h0r h PHE 276 N 0.74 0.60 -0.17 0.67 3.57 -0.67 -0.65 116.94 121.03 3h0r h PHE 276 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3h0r h PHE 276 Cb 0.44 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3h0r h PHE 276 CO 0.03 0.23 -0.26 0.82 -2.23 0.00 0.00 178.31 176.90 3h0r h ILE 277 N 0.58 1.35 -0.68 1.41 1.08 -1.01 -2.13 117.51 118.11 3h0r h ILE 277 Ca 0.32 -1.48 0.04 0.00 -0.39 0.00 0.00 64.86 63.35 3h0r h ILE 277 Cb 0.31 1.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 3h0r h ILE 277 CO -0.25 0.45 0.42 0.11 -0.69 0.00 0.00 178.15 178.19 3h0r h LYS 278 N 0.10 0.78 -0.14 2.37 1.57 -0.87 0.24 116.57 120.63 3h0r h LYS 278 Ca 0.01 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3h0r h LYS 278 Cb 0.83 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3h0r h LYS 278 CO 0.06 0.52 -0.44 1.49 -0.57 0.00 0.00 179.45 180.51 3h0r h GLU 279 N 0.81 0.33 -0.20 3.15 4.57 -1.10 -0.98 114.58 121.14 3h0r h GLU 279 Ca 0.28 -0.17 -0.20 0.00 -1.18 0.00 0.00 59.36 58.10 3h0r h GLU 279 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3h0r h GLU 279 CO -0.12 0.71 -0.65 -0.07 -1.18 0.00 0.00 179.01 177.70 3h0r h LEU 280 N 0.27 0.86 -0.40 1.64 3.38 -0.91 -3.02 115.31 117.14 3h0r h LEU 280 Ca 0.02 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3h0r h LEU 280 Cb 0.89 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3h0r h LEU 280 CO 0.07 1.29 -0.08 -0.08 0.09 0.00 0.00 178.44 179.73 3h0r h GLU 281 N 0.55 0.02 -0.31 1.13 4.81 -0.09 -1.46 114.58 119.23 3h0r h GLU 281 Ca -0.02 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3h0r h GLU 281 Cb 1.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3h0r h GLU 281 CO 0.13 0.01 0.22 0.87 -0.73 0.00 0.00 179.01 179.52 3h0r h LYS 282 N 0.02 0.00 -0.00 1.92 1.57 -1.13 -0.18 116.57 118.77 3h0r h LYS 282 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3h0r h LYS 282 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3h0r h LYS 282 CO -0.39 0.00 -0.06 0.39 -0.57 0.00 0.00 179.45 178.82 3h0r n GLU 283 N -4.44 0.73 0.00 3.15 -0.58 -0.58 -4.91 120.64 114.01 3h0r n GLU 283 Ca 0.04 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3h0r n GLU 283 Cb 0.39 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3h0r n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h0r n GLY 284 N 1.23 1.01 3.73 0.62 0.00 -0.08 -5.08 105.19 106.62 3h0r n GLY 284 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3h0r n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0r s PHE 285 N -2.00 3.51 -0.04 1.61 0.40 -1.03 -4.66 117.98 115.77 3h0r s PHE 285 Ca 0.00 1.49 -0.24 0.00 -0.60 0.00 0.00 56.93 57.58 3h0r s PHE 285 Cb 0.00 -3.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 3h0r s PHE 285 CO 0.00 -0.92 0.73 -2.00 0.70 0.00 0.00 175.22 173.73 3h0r s GLU 286 N -0.06 4.45 -0.22 0.44 2.12 -0.97 -4.33 118.70 120.13 3h0r s GLU 286 Ca 0.52 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.76 3h0r s GLU 286 Cb -0.30 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 3h0r s GLU 286 CO 0.34 0.10 -0.02 0.42 -0.54 0.00 0.00 175.26 175.56 3h0r s ILE 287 N 0.66 3.59 0.02 -3.70 -1.09 -1.26 -0.57 121.20 118.85 3h0r s ILE 287 Ca 0.39 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.45 3h0r s ILE 287 Cb -0.18 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.04 3h0r s ILE 287 CO 0.20 0.41 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.60 3h0r s LYS 288 N 1.42 1.31 0.09 2.79 1.02 0.05 -4.98 119.74 121.44 3h0r s LYS 288 Ca 0.05 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3h0r s LYS 288 Cb -0.14 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 3h0r s LYS 288 CO -0.01 0.35 0.95 -1.21 -0.92 0.00 0.00 175.35 174.50 3h0r s GLU 289 N -0.79 4.66 0.31 1.68 2.02 -1.26 -0.32 118.70 124.99 3h0r s GLU 289 Ca 0.06 1.41 0.08 0.00 0.02 0.00 0.00 54.97 56.54 3h0r s GLU 289 Cb -0.08 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.70 3h0r s GLU 289 CO 0.00 0.17 -0.08 0.14 0.02 0.00 0.00 175.26 175.52 3h0r s VAL 290 N 0.17 1.92 -0.10 2.63 -7.23 -0.28 -4.81 120.40 112.70 3h0r s VAL 290 Ca 0.47 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3h0r s VAL 290 Cb -0.23 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 3h0r s VAL 290 CO 0.29 -0.25 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.30 3h0r s SER 291 N -3.52 4.45 -0.48 4.85 0.01 -1.26 -0.16 113.70 117.58 3h0r s SER 291 Ca 0.31 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.47 3h0r s SER 291 Cb 0.03 -1.36 0.18 0.00 0.21 0.00 0.00 66.02 65.08 3h0r s SER 291 CO 0.14 0.27 0.39 0.18 0.41 0.00 0.00 173.24 174.64 3h0r n LEU 292 N 2.82 0.42 0.33 2.44 4.77 -1.26 -4.70 117.00 121.83 3h0r n LEU 292 Ca -0.18 -4.60 0.19 0.00 -0.03 0.00 0.00 56.01 51.40 3h0r n LEU 292 Cb 0.53 0.24 1.04 0.00 -2.33 0.00 0.00 43.42 42.90 3h0r n LEU 292 CO 0.29 1.85 1.16 1.55 -1.33 0.00 0.00 177.39 180.91 3h0r h PRO 293 N 5.45 0.00 0.00 3.23 0.13 -1.96 -2.38 132.00 136.47 3h0r h PRO 293 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3h0r h PRO 293 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3h0r h PRO 293 CO 0.46 0.00 -0.97 0.72 -0.23 0.00 0.00 178.00 177.98 3h0r n HIS 294 N -2.98 0.00 -0.12 1.56 8.25 -1.26 -4.67 115.22 116.00 3h0r n HIS 294 Ca -0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.58 3h0r n HIS 294 Cb 0.20 -0.05 0.52 0.00 1.12 0.00 0.00 29.99 31.79 3h0r n HIS 294 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3h0r h VAL 295 N 0.00 0.83 -0.00 1.59 -1.51 -1.79 0.67 116.25 116.04 3h0r h VAL 295 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3h0r h VAL 295 Cb 0.48 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.06 3h0r h VAL 295 CO 0.00 0.07 0.09 0.07 -1.23 0.00 0.00 177.57 176.57 3h0r h LYS 296 N 0.37 0.00 -0.01 5.19 2.10 -1.83 0.36 116.57 122.76 3h0r h LYS 296 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3h0r h LYS 296 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3h0r h LYS 296 CO -0.09 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.02 3h0r n TYR 297 N -3.04 0.00 -0.12 0.07 4.01 0.23 -4.30 117.16 114.02 3h0r n TYR 297 Ca -0.03 -0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 3h0r n TYR 297 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.18 3h0r n TYR 297 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3h0r h SER 298 N 0.85 0.44 0.21 7.72 0.02 -0.41 -2.29 113.55 120.09 3h0r h SER 298 Ca 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3h0r h SER 298 Cb 0.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3h0r h SER 298 CO 0.00 0.35 -0.14 0.40 -1.14 0.00 0.00 176.83 176.30 3h0r h ILE 299 N 0.49 0.71 -0.14 3.27 1.08 -1.79 0.38 117.51 121.51 3h0r h ILE 299 Ca 0.13 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.51 3h0r h ILE 299 Cb -0.02 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 3h0r h ILE 299 CO -0.03 0.00 -0.33 -0.65 -0.69 0.00 0.00 178.15 176.45 3h0r h PRO 300 N -0.34 0.28 -0.08 2.37 0.11 -1.83 -0.49 132.00 132.02 3h0r h PRO 300 Ca -0.02 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3h0r h PRO 300 Cb 0.29 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 3h0r h PRO 300 CO 0.01 0.58 0.05 1.15 -0.21 0.00 0.00 178.00 179.59 3h0r h THR 301 N 0.24 1.03 -0.65 -1.15 2.02 -1.30 -2.83 112.91 110.27 3h0r h THR 301 Ca 0.03 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3h0r h THR 301 Cb 0.71 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3h0r h THR 301 CO 0.05 0.02 0.21 0.22 0.37 0.00 0.00 175.52 176.40 3h0r h TYR 302 N 0.10 1.01 -0.31 3.16 3.20 -0.56 -1.87 116.97 121.70 3h0r h TYR 302 Ca 0.03 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3h0r h TYR 302 Cb -0.00 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.97 3h0r h TYR 302 CO -0.07 0.80 0.00 0.66 -1.64 0.00 0.00 178.16 177.91 3h0r n TYR 303 N -4.28 1.03 -0.03 -3.82 4.01 -0.22 -0.88 117.16 112.96 3h0r n TYR 303 Ca 0.05 -0.36 -0.08 0.00 -0.16 0.00 0.00 57.90 57.35 3h0r n TYR 303 Cb 0.21 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3h0r n TYR 303 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3h0r n ILE 304 N 0.35 0.95 0.17 -0.72 5.41 -1.07 -4.70 119.36 119.76 3h0r n ILE 304 Ca 0.14 0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.80 3h0r n ILE 304 Cb 0.70 -1.76 -0.07 0.00 -0.71 0.00 0.00 39.64 37.80 3h0r n ILE 304 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3h0r h ILE 305 N -0.41 0.58 0.61 1.39 2.04 -1.21 -2.08 117.51 118.43 3h0r h ILE 305 Ca -0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3h0r h ILE 305 Cb 0.88 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3h0r h ILE 305 CO -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.76 3h0r h ALA 306 N 0.25 -0.82 -0.77 1.87 0.00 -1.27 -1.23 119.26 117.29 3h0r h ALA 306 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3h0r h ALA 306 Cb 0.40 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3h0r h ALA 306 CO -0.01 -0.95 0.50 -1.00 0.00 0.00 0.00 179.25 177.80 3h0r h PRO 307 N -0.84 0.62 0.56 0.00 0.13 -1.76 0.17 132.00 130.88 3h0r h PRO 307 Ca -0.08 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 3h0r h PRO 307 Cb 0.64 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.63 3h0r h PRO 307 CO 0.14 0.41 -0.27 0.77 -0.23 0.00 0.00 178.00 178.82 3h0r h SER 308 N 0.64 -0.64 -0.41 1.44 0.02 -0.92 0.14 113.55 113.82 3h0r h SER 308 Ca 0.36 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3h0r h SER 308 Cb 0.53 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3h0r h SER 308 CO -0.13 -0.38 0.25 -0.33 -1.14 0.00 0.00 176.83 175.10 3h0r h GLU 309 N -0.87 0.57 -0.50 3.45 5.08 -1.05 -2.21 114.58 119.05 3h0r h GLU 309 Ca -0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 3h0r h GLU 309 Cb 0.62 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3h0r h GLU 309 CO 0.13 0.41 0.18 0.00 -1.00 0.00 0.00 179.01 178.72 3h0r h ALA 310 N 1.69 0.65 -0.68 3.43 0.00 -0.46 0.17 119.26 124.07 3h0r h ALA 310 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h0r h ALA 310 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3h0r h ALA 310 CO -0.03 0.28 0.45 0.66 0.00 0.00 0.00 179.25 180.62 3h0r h SER 311 N 0.67 0.77 -0.04 0.00 4.64 -0.34 -1.57 113.55 117.69 3h0r h SER 311 Ca 0.16 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3h0r h SER 311 Cb 0.23 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3h0r h SER 311 CO -0.01 0.56 -0.21 -1.28 -0.87 0.00 0.00 176.83 175.01 3h0r h SER 312 N 0.91 0.25 0.49 4.97 0.87 -1.25 -3.02 113.55 116.78 3h0r h SER 312 Ca 0.25 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3h0r h SER 312 Cb -0.10 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3h0r h SER 312 CO -0.06 0.89 0.00 0.59 -0.53 0.00 0.00 176.83 177.72 3h0r n ASN 313 N -4.54 0.43 -0.65 6.23 3.02 0.57 -2.41 115.26 117.90 3h0r n ASN 313 Ca -0.09 0.63 0.07 0.00 -0.03 0.00 0.00 54.58 55.15 3h0r n ASN 313 Cb 0.45 -0.71 0.12 0.00 -0.61 0.00 0.00 39.78 39.03 3h0r n ASN 313 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h0r n LEU 314 N -1.99 2.60 0.30 3.41 4.32 -0.61 -4.41 117.00 120.62 3h0r n LEU 314 Ca 0.02 -1.49 0.18 0.00 -0.02 0.00 0.00 56.01 54.69 3h0r n LEU 314 Cb 0.16 -0.14 0.98 0.00 -1.62 0.00 0.00 43.42 42.80 3h0r n LEU 314 CO 0.15 0.58 1.10 0.00 -1.22 0.00 0.00 177.39 178.00 3h0r h ALA 315 N 2.51 1.21 0.00 -1.18 0.00 -1.34 -3.06 119.26 117.40 3h0r h ALA 315 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h0r h ALA 315 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3h0r h ALA 315 CO 0.00 0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.35 3h0r h ARG 316 N 0.00 0.00 -5.91 0.00 0.11 -1.80 -3.41 114.38 103.37 3h0r h ARG 316 Ca -0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3h0r h ARG 316 Cb 0.13 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.09 3h0r h ARG 316 CO 0.00 0.00 0.74 0.71 0.10 0.00 0.00 179.97 181.53 3h0r s TYR 317 N -3.26 2.57 0.00 4.08 2.02 -1.16 -4.71 117.35 116.89 3h0r s TYR 317 Ca 0.07 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3h0r s TYR 317 Cb 0.09 -4.37 0.00 0.00 -0.40 0.00 0.00 41.96 37.28 3h0r s TYR 317 CO 0.59 -1.72 0.00 -0.40 -1.57 0.00 0.00 175.55 172.45 3h0r n ASP 318 N 8.23 0.00 -0.01 2.29 5.75 -1.26 -4.79 116.55 126.76 3h0r n ASP 318 Ca 0.00 -0.70 -0.00 0.00 -0.01 0.00 0.00 54.79 54.09 3h0r n ASP 318 Cb 0.47 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3h0r n ASP 318 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h0r n GLY 319 N 0.00 0.42 0.09 6.12 0.00 -1.25 -4.56 105.19 106.02 3h0r n GLY 319 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3h0r n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h0r n VAL 320 N -2.83 1.49 0.09 1.61 0.31 -1.26 -4.76 118.33 112.97 3h0r n VAL 320 Ca -0.00 0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.46 3h0r n VAL 320 Cb 0.09 -2.18 -0.13 0.00 -0.91 0.00 0.00 33.84 30.70 3h0r n VAL 320 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h0r n ARG 321 N -4.48 0.63 -3.67 5.55 1.74 -1.26 -5.05 116.66 110.12 3h0r n ARG 321 Ca -0.24 -0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 56.66 3h0r n ARG 321 Cb 0.53 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3h0r n ARG 321 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3h0r s TYR 322 N -3.17 -0.16 0.00 -1.55 1.13 -1.26 -5.17 117.35 107.17 3h0r s TYR 322 Ca -0.05 -0.06 0.00 0.00 -1.41 0.00 0.00 57.07 55.55 3h0r s TYR 322 Cb 0.12 0.59 0.00 0.00 -1.10 0.00 0.00 41.96 41.57 3h0r s TYR 322 CO 0.74 -0.63 0.00 0.41 -2.51 0.00 0.00 175.55 173.56 3h0r n GLY 323 N -0.40 -0.56 3.76 5.49 0.00 -1.26 -4.32 105.19 107.89 3h0r n GLY 323 Ca -0.07 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3h0r n GLY 323 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h0r s TYR 324 N 0.00 2.58 -0.03 1.61 5.04 -0.27 -4.88 117.35 121.41 3h0r s TYR 324 Ca 0.00 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3h0r s TYR 324 Cb 0.00 -3.74 0.03 0.00 0.35 0.00 0.00 41.96 38.60 3h0r s TYR 324 CO 0.00 -2.47 0.02 0.50 -1.34 0.00 0.00 175.55 172.26 3h0r s ARG 325 N -2.54 0.14 0.71 4.97 3.52 -1.26 -3.87 118.95 120.62 3h0r s ARG 325 Ca 0.63 0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 56.21 3h0r s ARG 325 Cb -0.39 -0.39 0.01 0.00 -1.56 0.00 0.00 34.95 32.62 3h0r s ARG 325 CO 0.49 -0.16 1.01 0.00 -0.81 0.00 0.00 175.30 175.83 3h0r n ALA 326 N 4.23 -0.07 0.10 6.12 0.00 -1.26 -4.94 120.51 124.68 3h0r n ALA 326 Ca -0.26 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 3h0r n ALA 326 Cb 0.50 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 3h0r n ALA 326 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h0r h LYS 327 N -0.18 0.35 -5.07 0.00 1.57 -1.98 -3.45 116.57 107.81 3h0r h LYS 327 Ca -0.48 -0.60 -0.65 0.00 -1.87 0.00 0.00 60.65 57.05 3h0r h LYS 327 Cb 1.33 0.22 -0.25 0.00 0.08 0.00 0.00 32.23 33.62 3h0r h LYS 327 CO 0.48 1.25 -0.69 -1.21 -0.57 0.00 0.00 179.45 178.71 3h0r s GLU 328 N -2.62 3.52 -0.27 3.15 2.02 -1.26 -5.09 118.70 118.15 3h0r s GLU 328 Ca -0.09 -0.57 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 3h0r s GLU 328 Cb 0.06 -3.05 0.09 0.00 0.10 0.00 0.00 34.13 31.33 3h0r s GLU 328 CO 0.88 -0.07 0.80 1.52 0.02 0.00 0.00 175.26 178.42 3h0r s TYR 329 N 1.19 -0.73 -0.29 1.61 1.13 -1.26 -4.83 117.35 114.16 3h0r s TYR 329 Ca 0.03 1.73 0.22 0.00 -1.41 0.00 0.00 57.07 57.64 3h0r s TYR 329 Cb -0.15 0.33 -0.07 0.00 -1.10 0.00 0.00 41.96 40.97 3h0r s TYR 329 CO 0.00 -0.35 0.89 1.63 -2.51 0.00 0.00 175.55 175.21 3h0r n LYS 330 N 2.73 0.53 -3.49 -3.49 5.02 -1.26 -4.93 118.16 113.27 3h0r n LYS 330 Ca -0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 3h0r n LYS 330 Cb 0.56 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3h0r n LYS 330 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3h0r s ASP 331 N -4.72 -0.45 0.42 4.39 3.84 -1.26 -5.03 116.67 113.86 3h0r s ASP 331 Ca -0.01 0.11 0.18 0.00 -0.00 0.00 0.00 52.55 52.82 3h0r s ASP 331 Cb 0.12 0.45 1.08 0.00 -1.38 0.00 0.00 42.92 43.19 3h0r s ASP 331 CO 0.82 -0.69 1.85 -0.29 -0.00 0.00 0.00 175.17 176.87 3h0r h ILE 332 N 2.15 0.67 -0.15 2.11 6.09 -1.99 0.51 117.51 126.91 3h0r h ILE 332 Ca -0.25 -0.14 0.01 0.00 -1.37 0.00 0.00 64.86 63.10 3h0r h ILE 332 Cb 1.24 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 3h0r h ILE 332 CO 0.34 0.07 0.07 0.15 -3.07 0.00 0.00 178.15 175.71 3h0r h PHE 333 N 0.41 0.14 -0.35 2.19 3.57 -1.99 -0.24 116.94 120.67 3h0r h PHE 333 Ca 0.48 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.88 3h0r h PHE 333 Cb 1.19 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3h0r h PHE 333 CO -0.00 0.08 -0.23 0.93 -2.23 0.00 0.00 178.31 176.86 3h0r h GLU 334 N 0.16 0.69 -0.06 1.11 5.08 -0.47 -0.17 114.58 120.91 3h0r h GLU 334 Ca 0.06 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3h0r h GLU 334 Cb 0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3h0r h GLU 334 CO -0.04 0.86 -0.17 1.98 -1.00 0.00 0.00 179.01 180.64 3h0r h MET 335 N 0.60 -0.23 0.40 2.33 4.05 -0.64 -0.65 114.93 120.78 3h0r h MET 335 Ca 0.08 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 3h0r h MET 335 Cb 0.71 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 3h0r h MET 335 CO 0.05 -0.16 -0.38 1.88 0.23 0.00 0.00 176.91 178.54 3h0r h TYR 336 N -0.24 -1.06 0.00 1.39 0.05 -0.79 -1.56 116.97 114.75 3h0r h TYR 336 Ca 0.07 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 3h0r h TYR 336 Cb 0.35 0.41 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 3h0r h TYR 336 CO -0.25 -0.51 -0.25 0.00 -1.05 0.00 0.00 178.16 176.09 3h0r h ALA 337 N -1.13 1.14 0.14 3.88 0.00 -0.92 -2.32 119.26 120.05 3h0r h ALA 337 Ca -0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 3h0r h ALA 337 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h0r h ALA 337 CO -0.04 0.32 -1.44 0.00 0.00 0.00 0.00 179.25 178.09 3h0r h ARG 338 N 0.00 0.30 -1.00 0.00 3.08 -1.14 -1.94 114.38 113.68 3h0r h ARG 338 Ca -0.00 -0.51 0.16 0.00 0.07 0.00 0.00 59.98 59.70 3h0r h ARG 338 Cb 0.65 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.79 3h0r h ARG 338 CO 0.03 1.24 0.62 1.15 -1.07 0.00 0.00 179.97 181.95 3h0r h THR 339 N -0.20 0.79 0.07 2.04 2.02 -1.10 -0.40 112.91 116.14 3h0r h THR 339 Ca -0.30 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 3h0r h THR 339 Cb 1.85 -0.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3h0r h THR 339 CO 0.10 0.15 -0.55 0.03 0.37 0.00 0.00 175.52 175.63 3h0r h ARG 340 N 0.85 0.25 -0.57 6.66 3.08 -1.48 -0.54 114.38 122.63 3h0r h ARG 340 Ca 0.54 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3h0r h ARG 340 Cb 0.74 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 3h0r h ARG 340 CO -0.32 1.12 0.20 0.22 -1.07 0.00 0.00 179.97 180.12 3h0r h ASP 341 N -0.44 0.76 0.97 7.04 3.58 -1.12 -0.65 116.42 126.56 3h0r h ASP 341 Ca -0.09 -0.11 -0.20 0.00 0.42 0.00 0.00 57.03 57.05 3h0r h ASP 341 Cb 1.37 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 3h0r h ASP 341 CO 0.10 0.71 -1.08 -0.33 -2.88 0.00 0.00 179.24 175.76 3h0r h GLU 342 N 0.82 0.00 0.00 0.28 5.08 -1.13 -3.36 114.58 116.26 3h0r h GLU 342 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3h0r h GLU 342 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3h0r h GLU 342 CO -0.01 0.77 -1.34 0.41 -1.00 0.00 0.00 179.01 177.83 3h0r n GLY 343 N 1.37 -1.26 3.79 -3.84 0.00 -0.21 -4.88 105.19 100.16 3h0r n GLY 343 Ca -0.04 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3h0r n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0r s PHE 344 N -3.07 3.64 1.05 1.61 0.08 -0.27 -2.05 117.98 118.97 3h0r s PHE 344 Ca -0.03 0.91 -0.16 0.00 0.12 0.00 0.00 56.93 57.78 3h0r s PHE 344 Cb 0.09 -2.37 0.22 0.00 -0.57 0.00 0.00 43.02 40.39 3h0r s PHE 344 CO 0.81 0.46 1.15 0.20 -0.10 0.00 0.00 175.22 177.74 3h0r s GLY 345 N -0.42 1.61 0.18 4.36 0.00 -1.26 -4.82 107.32 106.97 3h0r s GLY 345 Ca 0.23 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 3h0r s GLY 345 CO 0.11 -0.04 1.46 -0.56 0.00 0.00 0.00 173.10 174.07 3h0r h PRO 346 N -2.01 0.46 -0.28 2.90 0.13 -1.97 -0.95 132.00 130.28 3h0r h PRO 346 Ca -0.48 -0.34 -0.11 0.00 -0.87 0.00 0.00 66.00 64.20 3h0r h PRO 346 Cb 1.30 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 3h0r h PRO 346 CO 0.47 0.97 -0.25 1.49 -0.23 0.00 0.00 178.00 180.45 3h0r h GLU 347 N 0.33 0.66 -0.34 0.86 4.57 -1.94 -1.15 114.58 117.56 3h0r h GLU 347 Ca -0.02 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 57.85 3h0r h GLU 347 Cb 1.23 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3h0r h GLU 347 CO 0.12 0.94 0.18 0.28 -1.18 0.00 0.00 179.01 179.34 3h0r h VAL 348 N 0.39 1.00 -0.88 0.32 2.07 -1.85 -2.22 116.25 115.09 3h0r h VAL 348 Ca 0.05 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3h0r h VAL 348 Cb 0.80 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3h0r h VAL 348 CO 0.06 0.07 0.54 0.11 0.02 0.00 0.00 177.57 178.37 3h0r h LYS 349 N 0.37 1.19 -0.56 1.57 1.57 -0.98 -0.70 116.57 119.02 3h0r h LYS 349 Ca 0.14 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3h0r h LYS 349 Cb 0.04 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3h0r h LYS 349 CO -0.09 0.82 0.35 0.00 -0.57 0.00 0.00 179.45 179.96 3h0r h ARG 350 N 1.21 0.68 0.01 3.15 3.08 -0.90 -1.42 114.38 120.18 3h0r h ARG 350 Ca 0.32 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.13 3h0r h ARG 350 Cb -0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3h0r h ARG 350 CO -0.06 0.45 -0.89 0.00 -1.07 0.00 0.00 179.97 178.40 3h0r h ARG 351 N 0.70 0.11 -0.37 0.04 3.08 -1.07 -1.71 114.38 115.17 3h0r h ARG 351 Ca 0.22 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3h0r h ARG 351 Cb -0.02 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3h0r h ARG 351 CO -0.08 0.93 0.18 0.82 -1.07 0.00 0.00 179.97 180.75 3h0r h ILE 352 N 0.05 1.16 0.06 2.04 2.04 -0.99 0.24 117.51 122.12 3h0r h ILE 352 Ca -0.03 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3h0r h ILE 352 Cb 1.54 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3h0r h ILE 352 CO 0.13 0.17 -0.03 0.24 0.00 0.00 0.00 178.15 178.66 3h0r h MET 353 N 0.46 -0.08 -0.20 2.37 2.86 -1.18 -1.32 114.93 117.84 3h0r h MET 353 Ca 0.13 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3h0r h MET 353 Cb 0.11 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3h0r h MET 353 CO -0.02 -0.00 0.08 1.25 1.06 0.00 0.00 176.91 179.28 3h0r h LEU 354 N -0.14 0.11 -0.67 1.22 5.85 -1.25 -2.38 115.31 118.04 3h0r h LEU 354 Ca -0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3h0r h LEU 354 Cb 0.12 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3h0r h LEU 354 CO 0.01 0.09 0.35 1.23 -0.34 0.00 0.00 178.44 179.78 3h0r h GLY 355 N 0.18 0.98 2.00 3.75 0.00 -0.40 -0.22 103.07 109.36 3h0r h GLY 355 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3h0r h GLY 355 CO -0.07 0.11 -0.33 -0.91 0.00 0.00 0.00 176.54 175.33 3h0r h THR 356 N 0.62 0.87 0.14 4.70 1.35 -1.04 -2.23 112.91 117.32 3h0r h THR 356 Ca 0.31 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 3h0r h THR 356 Cb 0.26 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3h0r h THR 356 CO -0.22 0.33 -0.07 0.15 -0.25 0.00 0.00 175.52 175.46 3h0r h PHE 357 N 0.00 -0.17 -0.16 4.73 3.04 -0.91 -2.61 116.94 120.86 3h0r h PHE 357 Ca -0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.99 3h0r h PHE 357 Cb 0.78 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 3h0r h PHE 357 CO 0.00 0.30 0.24 0.00 -2.02 0.00 0.00 178.31 176.82 3h0r h ALA 358 N -0.16 1.68 -0.01 2.41 0.00 -0.94 -0.26 119.26 121.98 3h0r h ALA 358 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h0r h ALA 358 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h0r h ALA 358 CO 0.03 -0.32 -0.73 1.28 0.00 0.00 0.00 179.25 179.52 3h0r n LEU 359 N -3.55 1.37 -4.76 0.00 4.77 -0.85 -3.65 117.00 110.33 3h0r n LEU 359 Ca 0.01 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 3h0r n LEU 359 Cb 0.35 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3h0r n LEU 359 CO 0.24 0.29 0.97 -0.94 -1.33 0.00 0.00 177.39 176.62 3h0r s SER 360 N -2.77 6.84 0.36 -1.43 1.04 -0.11 -4.62 113.70 113.00 3h0r s SER 360 Ca 0.13 2.58 -0.28 0.00 0.48 0.00 0.00 55.95 58.86 3h0r s SER 360 Cb 0.17 -2.64 -0.11 0.00 0.10 0.00 0.00 66.02 63.54 3h0r s SER 360 CO 0.73 -0.50 1.46 0.00 0.98 0.00 0.00 173.24 175.90 3h0r n ALA 361 N 1.34 2.14 0.00 5.32 0.00 -1.26 -0.78 120.51 127.27 3h0r n ALA 361 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3h0r n ALA 361 Cb 0.42 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3h0r n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 362 N 0.76 3.05 0.00 0.00 0.00 -1.26 -4.72 105.19 103.03 3h0r n GLY 362 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3h0r n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h0r n TYR 363 N -0.56 0.00 -0.10 1.61 4.01 -0.27 -4.80 117.16 117.05 3h0r n TYR 363 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3h0r n TYR 363 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3h0r n TYR 363 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3h0r h TYR 364 N 0.00 0.34 -0.87 -0.72 5.03 -1.04 -1.49 116.97 118.22 3h0r h TYR 364 Ca 0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 3h0r h TYR 364 Cb 0.04 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.17 3h0r h TYR 364 CO 0.00 0.19 0.45 -0.44 -1.32 0.00 0.00 178.16 177.04 3h0r h ASP 365 N 0.38 1.12 1.86 -2.11 3.32 -1.87 -1.55 116.42 117.57 3h0r h ASP 365 Ca 0.14 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3h0r h ASP 365 Cb 0.03 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3h0r h ASP 365 CO -0.08 0.92 -0.14 0.00 -1.72 0.00 0.00 179.24 178.22 3h0r h ALA 366 N 1.24 0.93 -3.00 3.45 0.00 -1.85 -2.55 119.26 117.48 3h0r h ALA 366 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h0r h ALA 366 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h0r h ALA 366 CO -0.04 0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.92 3h0r n TYR 367 N -3.07 0.00 0.19 0.00 4.02 -0.58 -4.55 117.16 113.17 3h0r n TYR 367 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.78 3h0r n TYR 367 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 3h0r n TYR 367 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3h0r h TYR 368 N 0.00 -0.57 0.08 -0.72 3.20 -1.45 -0.22 116.97 117.28 3h0r h TYR 368 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3h0r h TYR 368 Cb 0.00 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3h0r h TYR 368 CO 0.00 -0.33 -0.17 1.25 -1.64 0.00 0.00 178.16 177.27 3h0r h LEU 369 N -0.51 -0.47 -0.60 2.82 5.85 -1.51 -0.09 115.31 120.79 3h0r h LEU 369 Ca -0.02 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.88 3h0r h LEU 369 Cb 0.45 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 3h0r h LEU 369 CO -0.00 -0.24 -0.11 0.50 -0.34 0.00 0.00 178.44 178.24 3h0r h LYS 370 N -0.32 0.02 -0.54 1.25 1.63 -1.28 -1.58 116.57 115.75 3h0r h LYS 370 Ca 0.03 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 3h0r h LYS 370 Cb 0.35 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3h0r h LYS 370 CO -0.11 0.02 0.10 0.00 -3.45 0.00 0.00 179.45 176.01 3h0r h ALA 371 N 1.59 1.16 0.00 5.00 0.00 -0.37 -0.68 119.26 125.96 3h0r h ALA 371 Ca 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3h0r h ALA 371 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h0r h ALA 371 CO -0.59 0.56 -0.23 1.96 0.00 0.00 0.00 179.25 180.95 3h0r h GLN 372 N 0.81 0.00 -0.00 0.00 1.08 -0.10 0.24 115.11 117.14 3h0r h GLN 372 Ca 0.17 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3h0r h GLN 372 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3h0r h GLN 372 CO 0.00 0.23 -0.02 0.87 -0.95 0.00 0.00 178.83 178.96 3h0r h LYS 373 N 0.00 0.02 -0.14 1.46 1.57 -0.51 -3.07 116.57 115.90 3h0r h LYS 373 Ca -0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3h0r h LYS 373 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3h0r h LYS 373 CO 0.03 0.76 0.10 0.28 -0.57 0.00 0.00 179.45 180.05 3h0r h VAL 374 N -0.71 0.96 -0.95 0.50 2.07 -0.90 -1.00 116.25 116.22 3h0r h VAL 374 Ca -0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3h0r h VAL 374 Cb 0.77 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3h0r h VAL 374 CO 0.00 0.01 0.57 -0.09 0.02 0.00 0.00 177.57 178.08 3h0r h ARG 375 N 0.06 1.29 -0.41 1.57 2.43 -0.54 -1.18 114.38 117.60 3h0r h ARG 375 Ca 0.06 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3h0r h ARG 375 Cb 0.18 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3h0r h ARG 375 CO -0.01 0.90 -0.26 -0.09 -1.51 0.00 0.00 179.97 179.01 3h0r h ARG 376 N 1.31 0.90 -0.22 0.20 2.43 -1.11 -0.84 114.38 117.05 3h0r h ARG 376 Ca 0.34 -0.42 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3h0r h ARG 376 Cb -0.05 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3h0r h ARG 376 CO -0.06 1.07 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.34 3h0r h LEU 377 N 0.72 -0.20 -0.58 3.80 3.38 -1.12 -0.53 115.31 120.78 3h0r h LEU 377 Ca 0.08 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3h0r h LEU 377 Cb 0.83 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 3h0r h LEU 377 CO 0.07 -0.07 0.26 0.40 0.09 0.00 0.00 178.44 179.19 3h0r h ILE 378 N 0.00 0.86 -0.73 1.22 2.04 -1.14 -1.25 117.51 118.51 3h0r h ILE 378 Ca 0.10 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3h0r h ILE 378 Cb 0.16 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3h0r h ILE 378 CO -0.22 0.09 0.41 0.74 0.00 0.00 0.00 178.15 179.16 3h0r h THR 379 N 0.47 1.22 -0.70 -0.27 2.02 -0.77 -2.77 112.91 112.11 3h0r h THR 379 Ca 0.28 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3h0r h THR 379 Cb 0.27 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3h0r h THR 379 CO -0.24 0.24 0.19 0.78 0.37 0.00 0.00 175.52 176.86 3h0r h ASN 380 N 1.00 1.04 -0.61 4.18 2.35 -0.47 -1.57 115.58 121.50 3h0r h ASN 380 Ca 0.26 -0.23 0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3h0r h ASN 380 Cb 0.02 -0.27 -0.12 0.00 0.05 0.00 0.00 38.32 38.00 3h0r h ASN 380 CO -0.04 1.00 -0.32 0.44 -1.65 0.00 0.00 177.43 176.85 3h0r h ASP 381 N 1.04 -1.12 0.07 5.81 3.32 -0.97 -1.12 116.42 123.45 3h0r h ASP 381 Ca 0.22 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 3h0r h ASP 381 Cb 0.35 0.57 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3h0r h ASP 381 CO -0.00 -0.30 -0.03 -0.26 -1.72 0.00 0.00 179.24 176.93 3h0r h PHE 382 N -0.14 -0.09 -0.91 4.55 0.04 -1.18 -0.90 116.94 118.31 3h0r h PHE 382 Ca 0.24 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.12 3h0r h PHE 382 Cb 0.55 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.66 3h0r h PHE 382 CO -0.64 0.00 0.58 -0.07 -0.60 0.00 0.00 178.31 177.59 3h0r h LEU 383 N -0.16 0.78 -0.06 1.54 3.38 -1.00 0.20 115.31 119.99 3h0r h LEU 383 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3h0r h LEU 383 Cb 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h0r h LEU 383 CO 0.02 0.44 -0.12 0.50 0.09 0.00 0.00 178.44 179.37 3h0r h LYS 384 N 0.85 0.19 -0.48 1.13 3.64 -0.89 -3.00 116.57 118.01 3h0r h LYS 384 Ca 0.43 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.78 3h0r h LYS 384 Cb 0.50 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3h0r h LYS 384 CO -0.20 0.70 0.33 0.00 -2.27 0.00 0.00 179.45 178.01 3h0r h ALA 385 N 0.49 2.07 0.00 5.00 0.00 -0.57 -1.12 119.26 125.14 3h0r h ALA 385 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h0r h ALA 385 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h0r h ALA 385 CO 0.03 -0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.29 3h0r n PHE 386 N -4.46 0.00 0.08 0.00 3.72 0.64 -2.02 117.46 115.42 3h0r n PHE 386 Ca 0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.41 3h0r n PHE 386 Cb 0.34 -0.28 0.09 0.00 -0.94 0.00 0.00 39.48 38.69 3h0r n PHE 386 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3h0r h GLU 387 N 0.00 0.24 0.00 -1.08 5.08 -1.14 -3.34 114.58 114.34 3h0r h GLU 387 Ca 0.00 -0.18 -0.29 0.00 -1.00 0.00 0.00 59.36 57.89 3h0r h GLU 387 Cb 0.22 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3h0r h GLU 387 CO 0.00 0.82 -2.23 0.39 -1.00 0.00 0.00 179.01 176.98 3h0r n GLU 388 N -3.83 0.68 -4.38 2.33 1.02 -0.90 -5.03 120.64 110.54 3h0r n GLU 388 Ca -0.03 -0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.91 3h0r n GLU 388 Cb 0.66 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 3h0r n GLU 388 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h0r s VAL 389 N -2.69 1.03 -0.22 2.62 -7.23 -0.85 -4.97 120.40 108.08 3h0r s VAL 389 Ca -0.09 -2.02 0.10 0.00 -1.81 0.00 0.00 61.98 58.16 3h0r s VAL 389 Cb 0.08 -2.59 -0.20 0.00 0.56 0.00 0.00 36.38 34.23 3h0r s VAL 389 CO 0.84 -0.13 -0.08 0.47 -0.31 0.00 0.00 175.10 175.89 3h0r n ASP 390 N -0.54 1.13 -4.11 4.85 8.00 -0.41 -4.47 116.55 121.00 3h0r n ASP 390 Ca -0.03 -0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 3h0r n ASP 390 Cb 0.65 0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.94 3h0r n ASP 390 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3h0r s VAL 391 N -2.49 0.18 -0.10 2.53 -7.23 -0.94 -4.35 120.40 108.00 3h0r s VAL 391 Ca -0.22 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3h0r s VAL 391 Cb 0.07 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 3h0r s VAL 391 CO 0.69 -0.80 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.83 3h0r s ILE 392 N -3.97 2.29 0.13 -0.62 1.01 0.30 -1.28 121.20 119.07 3h0r s ILE 392 Ca 0.13 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 59.94 3h0r s ILE 392 Cb 0.08 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3h0r s ILE 392 CO -0.06 0.55 -0.25 0.00 0.00 0.00 0.00 174.94 175.19 3h0r s ALA 393 N 0.25 2.46 0.21 9.38 0.00 -0.76 0.25 121.76 133.55 3h0r s ALA 393 Ca -0.15 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.13 3h0r s ALA 393 Cb -0.17 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.55 3h0r s ALA 393 CO 0.07 0.55 0.81 -1.54 0.00 0.00 0.00 175.76 175.65 3h0r s SER 394 N -2.11 -0.25 0.65 0.00 1.04 -0.60 -4.55 113.70 107.87 3h0r s SER 394 Ca 0.15 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 3h0r s SER 394 Cb -0.10 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3h0r s SER 394 CO 0.07 -1.12 1.19 -2.65 0.98 0.00 0.00 173.24 171.71 3h0r n PRO 395 N -0.45 0.98 0.11 4.02 -0.02 -1.26 0.32 135.00 138.71 3h0r n PRO 395 Ca -0.06 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 3h0r n PRO 395 Cb 0.60 -2.42 0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3h0r n PRO 395 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3h0r h THR 396 N 0.40 1.47 -3.79 3.45 2.02 -1.48 -3.40 112.91 111.59 3h0r h THR 396 Ca -0.50 -2.28 -0.17 0.00 0.77 0.00 0.00 66.41 64.23 3h0r h THR 396 Cb 1.35 2.22 -0.22 0.00 -1.74 0.00 0.00 68.15 69.76 3h0r h THR 396 CO 0.52 0.66 -0.63 -0.89 0.37 0.00 0.00 175.52 175.54 3h0r s THR 397 N -3.50 0.09 -0.90 3.16 2.01 -1.26 -4.45 115.64 110.79 3h0r s THR 397 Ca -0.02 -0.72 0.27 0.00 0.31 0.00 0.00 61.69 61.54 3h0r s THR 397 Cb 0.12 -0.29 0.25 0.00 0.01 0.00 0.00 72.50 72.59 3h0r s THR 397 CO 0.78 -0.39 1.84 -0.81 -0.69 0.00 0.00 174.62 175.35 3h0r n PRO 398 N 1.76 0.09 -4.22 4.92 -0.04 -1.26 -4.87 135.00 131.38 3h0r n PRO 398 Ca -0.22 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 3h0r n PRO 398 Cb 0.56 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3h0r n PRO 398 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3h0r s THR 399 N -3.04 0.48 0.64 0.52 -4.23 -1.26 -0.55 115.64 108.20 3h0r s THR 399 Ca 0.12 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 3h0r s THR 399 Cb 0.16 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 3h0r s THR 399 CO 0.53 -0.44 1.12 -0.76 -0.54 0.00 0.00 174.62 174.52 3h0r s LEU 400 N -3.14 3.44 -0.27 4.79 1.43 -1.26 -4.94 118.68 118.73 3h0r s LEU 400 Ca 0.25 2.03 -0.39 0.00 -1.03 0.00 0.00 54.13 55.00 3h0r s LEU 400 Cb 0.07 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.56 3h0r s LEU 400 CO 0.04 -1.58 1.22 -2.65 0.23 0.00 0.00 176.35 173.62 3h0r n PRO 401 N -2.25 0.00 -2.60 1.29 -0.02 -1.26 -4.94 135.00 125.22 3h0r n PRO 401 Ca 0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 3h0r n PRO 401 Cb 0.52 -1.31 0.07 0.00 -0.02 0.00 0.00 33.50 32.76 3h0r n PRO 401 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3h0r s PHE 402 N 1.64 2.23 0.37 6.00 -0.12 -1.26 -4.84 117.98 122.00 3h0r s PHE 402 Ca 0.87 -0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 57.54 3h0r s PHE 402 Cb -1.24 -2.87 -0.06 0.00 -0.63 0.00 0.00 43.02 38.23 3h0r s PHE 402 CO 0.63 -1.29 0.68 0.15 -0.05 0.00 0.00 175.22 175.34 3h0r s LYS 403 N -4.96 3.69 0.46 1.99 1.02 -1.26 -1.03 119.74 119.65 3h0r s LYS 403 Ca 0.62 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.62 3h0r s LYS 403 Cb -0.08 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 3h0r s LYS 403 CO 0.41 0.05 1.19 1.19 -0.92 0.00 0.00 175.35 177.27 3h0r n PHE 404 N -1.27 1.78 -0.26 3.18 3.72 -1.20 -2.05 117.46 121.36 3h0r n PHE 404 Ca 0.00 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3h0r n PHE 404 Cb 0.54 -2.31 0.00 0.00 -0.94 0.00 0.00 39.48 36.77 3h0r n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h0r n GLY 405 N 0.94 2.06 0.16 1.37 0.00 -1.26 -4.86 105.19 103.61 3h0r n GLY 405 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 3h0r n GLY 405 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h0r h GLU 406 N 1.94 0.19 -0.32 1.61 4.81 -1.82 -3.27 114.58 117.73 3h0r h GLU 406 Ca 0.00 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 58.85 3h0r h GLU 406 Cb 0.00 0.02 -0.24 0.00 0.63 0.00 0.00 28.75 29.16 3h0r h GLU 406 CO 0.00 0.73 -0.73 0.54 -0.73 0.00 0.00 179.01 178.82 3h0r n ARG 407 N -3.87 2.19 -0.00 1.92 1.74 -1.26 -4.65 116.66 112.72 3h0r n ARG 407 Ca -0.02 -3.51 0.06 0.00 -0.77 0.00 0.00 57.85 53.61 3h0r n ARG 407 Cb 0.61 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 3h0r n ARG 407 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h0r n LEU 408 N -0.75 0.11 0.20 0.55 4.77 -1.23 -3.89 117.00 116.76 3h0r n LEU 408 Ca 0.26 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3h0r n LEU 408 Cb 0.85 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.90 3h0r n LEU 408 CO 0.13 0.03 0.45 -0.08 -1.33 0.00 0.00 177.39 176.59 3h0r h GLU 409 N 0.00 -0.50 -4.88 3.23 4.81 -1.83 -3.40 114.58 112.01 3h0r h GLU 409 Ca 0.00 0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.62 3h0r h GLU 409 Cb 0.52 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 29.84 3h0r h GLU 409 CO 0.00 -0.33 -0.53 1.21 -0.73 0.00 0.00 179.01 178.63 3h0r s ASN 410 N -3.04 5.93 0.50 1.04 2.47 -1.26 -4.98 114.94 115.59 3h0r s ASN 410 Ca -0.08 -0.08 0.26 0.00 0.42 0.00 0.00 52.86 53.38 3h0r s ASN 410 Cb 0.01 -2.10 1.34 0.00 -1.45 0.00 0.00 41.25 39.04 3h0r s ASN 410 CO 0.23 -0.07 1.89 -0.65 -3.72 0.00 0.00 177.10 174.78 3h0r h PRO 411 N 8.37 0.14 -0.97 0.43 0.11 -1.83 0.02 132.00 138.27 3h0r h PRO 411 Ca -0.35 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.82 3h0r h PRO 411 Cb 1.18 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3h0r h PRO 411 CO 0.56 0.09 0.63 0.82 -0.21 0.00 0.00 178.00 179.89 3h0r h ILE 412 N 0.14 1.09 -0.32 4.15 2.04 -1.93 -0.57 117.51 122.09 3h0r h ILE 412 Ca 0.43 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3h0r h ILE 412 Cb 1.46 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3h0r h ILE 412 CO -0.07 0.21 0.23 -0.33 0.00 0.00 0.00 178.15 178.18 3h0r h GLU 413 N 1.13 0.11 -0.19 2.37 5.08 -1.28 -0.73 114.58 121.07 3h0r h GLU 413 Ca 0.41 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 3h0r h GLU 413 Cb 0.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h0r h GLU 413 CO -0.16 0.08 -0.63 1.98 -1.00 0.00 0.00 179.01 179.28 3h0r h MET 414 N 0.12 0.67 -0.53 2.33 4.05 -1.18 -3.22 114.93 117.16 3h0r h MET 414 Ca 0.15 -0.47 -0.05 0.00 -0.28 0.00 0.00 59.70 59.05 3h0r h MET 414 Cb 0.45 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3h0r h MET 414 CO -0.02 1.09 0.11 1.88 0.23 0.00 0.00 176.91 180.20 3h0r h TYR 415 N 0.50 0.86 0.00 1.39 0.05 -0.93 -2.61 116.97 116.23 3h0r h TYR 415 Ca -0.01 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3h0r h TYR 415 Cb 1.21 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3h0r h TYR 415 CO 0.06 0.73 0.00 1.28 -1.05 0.00 0.00 178.16 179.18 3h0r n LEU 416 N -4.26 0.00 0.26 3.88 4.77 -0.94 -1.49 117.00 119.22 3h0r n LEU 416 Ca 0.04 0.50 0.17 0.00 -0.03 0.00 0.00 56.01 56.68 3h0r n LEU 416 Cb 0.24 -0.50 0.74 0.00 -2.33 0.00 0.00 43.42 41.58 3h0r n LEU 416 CO 0.40 -0.42 1.00 0.28 -1.33 0.00 0.00 177.39 177.33 3h0r h SER 417 N 0.00 0.00 -0.12 -1.43 0.02 -1.60 -3.25 113.55 107.17 3h0r h SER 417 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h0r h SER 417 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h0r h SER 417 CO 0.00 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 3h0r n ASP 418 N -2.94 3.06 -0.01 3.07 8.00 -0.55 -4.59 116.55 122.58 3h0r n ASP 418 Ca 0.00 -1.97 0.23 0.00 0.71 0.00 0.00 54.79 53.76 3h0r n ASP 418 Cb 0.25 -0.06 0.72 0.00 -0.02 0.00 0.00 41.12 42.01 3h0r n ASP 418 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3h0r h ILE 419 N 4.50 0.53 -0.01 0.53 3.07 -1.74 0.89 117.51 125.29 3h0r h ILE 419 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3h0r h ILE 419 Cb 0.97 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 3h0r h ILE 419 CO 0.00 0.00 -0.40 0.18 -1.05 0.00 0.00 178.15 176.88 3h0r n LEU 420 N -4.07 1.58 -0.09 0.16 4.77 -1.26 -4.56 117.00 113.53 3h0r n LEU 420 Ca 0.11 -0.74 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 3h0r n LEU 420 Cb 0.71 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.68 3h0r n LEU 420 CO 0.33 0.31 -1.09 0.35 -1.33 0.00 0.00 177.39 175.96 3h0r n THR 421 N -0.24 1.16 -0.16 -5.08 -2.24 0.22 -4.60 114.28 103.33 3h0r n THR 421 Ca 0.07 -0.62 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 3h0r n THR 421 Cb 0.34 -0.81 0.13 0.00 -2.10 0.00 0.00 70.33 67.90 3h0r n THR 421 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3h0r h VAL 422 N 0.00 1.24 -0.98 2.28 -1.51 -1.36 -3.14 116.25 112.78 3h0r h VAL 422 Ca -0.46 -0.94 0.18 0.00 -1.23 0.00 0.00 66.70 64.25 3h0r h VAL 422 Cb 1.92 0.70 -0.09 0.00 -2.13 0.00 0.00 31.29 31.69 3h0r h VAL 422 CO -0.01 0.35 0.61 -0.65 -1.23 0.00 0.00 177.57 176.64 3h0r h PRO 423 N 0.87 0.71 -0.81 5.19 0.11 -1.84 -1.60 132.00 134.63 3h0r h PRO 423 Ca 0.18 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3h0r h PRO 423 Cb 0.38 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 3h0r h PRO 423 CO 0.01 0.47 0.50 0.00 -0.21 0.00 0.00 178.00 178.76 3h0r h ALA 424 N 1.62 1.03 -0.47 -0.75 0.00 -1.86 -1.76 119.26 117.07 3h0r h ALA 424 Ca 0.54 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 3h0r h ALA 424 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h0r h ALA 424 CO -0.31 0.49 -0.16 -0.91 0.00 0.00 0.00 179.25 178.36 3h0r h ASN 425 N 1.11 0.95 -0.82 0.00 4.21 -1.47 0.19 115.58 119.75 3h0r h ASN 425 Ca 0.29 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3h0r h ASN 425 Cb -0.06 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 36.84 3h0r h ASN 425 CO -0.06 1.11 0.52 -0.07 -1.29 0.00 0.00 177.43 177.64 3h0r h LEU 426 N 0.78 0.96 -0.08 1.61 3.38 -1.05 -2.33 115.31 118.58 3h0r h LEU 426 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h0r h LEU 426 Cb 0.72 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3h0r h LEU 426 CO 0.05 0.72 -0.17 0.00 0.09 0.00 0.00 178.44 179.14 3h0r n ALA 427 N -2.34 2.80 -1.04 1.53 0.00 -0.69 -4.86 120.51 115.90 3h0r n ALA 427 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 3h0r n ALA 427 Cb 0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 3h0r n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0r n GLY 428 N 1.42 0.52 3.85 0.00 0.00 -0.50 -4.97 105.19 105.50 3h0r n GLY 428 Ca 0.09 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3h0r n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 429 N -0.35 4.11 0.51 0.99 1.43 0.55 -1.24 118.68 124.68 3h0r s LEU 429 Ca 0.00 1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 54.17 3h0r s LEU 429 Cb 0.00 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 3h0r s LEU 429 CO 0.00 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.31 3h0r s PRO 430 N -2.82 3.67 -0.11 1.29 0.04 -1.26 -4.59 135.00 131.21 3h0r s PRO 430 Ca 0.52 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 3h0r s PRO 430 Cb -0.11 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3h0r s PRO 430 CO 0.18 -0.54 0.43 0.00 0.04 0.00 0.00 177.00 177.11 3h0r s ALA 431 N -2.05 -1.08 0.02 8.56 0.00 -0.18 -1.73 121.76 125.30 3h0r s ALA 431 Ca 0.67 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.69 3h0r s ALA 431 Cb -0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3h0r s ALA 431 CO 0.24 -0.24 -0.15 -1.50 0.00 0.00 0.00 175.76 174.11 3h0r s ILE 432 N -0.32 1.19 -0.14 0.00 2.07 -0.51 -1.11 121.20 122.39 3h0r s ILE 432 Ca -0.05 -0.84 -0.03 0.00 -1.41 0.00 0.00 60.65 58.33 3h0r s ILE 432 Cb -0.03 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 3h0r s ILE 432 CO 0.02 0.18 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.65 3h0r s SER 433 N -0.75 4.82 -0.03 4.50 0.15 0.18 -1.70 113.70 120.87 3h0r s SER 433 Ca 0.04 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3h0r s SER 433 Cb -0.07 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 3h0r s SER 433 CO 0.00 0.22 -0.08 -0.51 1.20 0.00 0.00 173.24 174.07 3h0r s ILE 434 N 0.06 0.75 0.05 6.45 1.10 0.26 -1.94 121.20 127.93 3h0r s ILE 434 Ca -0.00 -0.33 -0.31 0.00 -0.51 0.00 0.00 60.65 59.50 3h0r s ILE 434 Cb -0.13 -0.67 -0.07 0.00 0.15 0.00 0.00 42.46 41.73 3h0r s ILE 434 CO 0.03 0.24 1.58 -2.84 -2.11 0.00 0.00 174.94 171.83 3h0r s PRO 435 N 0.25 4.22 -0.00 3.50 0.02 -1.26 0.65 135.00 142.37 3h0r s PRO 435 Ca -0.04 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.22 3h0r s PRO 435 Cb -0.09 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.81 3h0r s PRO 435 CO 0.00 -0.69 0.05 0.44 -0.33 0.00 0.00 177.00 176.48 3h0r n ILE 436 N 4.70 0.00 -3.80 2.83 -5.35 0.61 -4.85 119.36 113.50 3h0r n ILE 436 Ca 0.15 -0.06 -0.05 0.00 -0.27 0.00 0.00 62.75 62.52 3h0r n ILE 436 Cb 0.41 0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 38.77 3h0r n ILE 436 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h0r s ALA 437 N -2.11 -1.49 -0.14 -1.28 0.00 -1.20 -4.87 121.76 110.66 3h0r s ALA 437 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3h0r s ALA 437 Cb 0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3h0r s ALA 437 CO 0.08 -1.04 -0.14 -1.58 0.00 0.00 0.00 175.76 173.08 3h0r s TRP 438 N -3.52 2.11 -0.17 0.00 0.52 -1.26 -1.44 118.94 115.18 3h0r s TRP 438 Ca 0.12 -1.14 0.00 0.00 0.02 0.00 0.00 56.10 55.10 3h0r s TRP 438 Cb -0.03 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.77 3h0r s TRP 438 CO 0.04 -0.62 -0.11 0.15 0.02 0.00 0.00 176.95 176.43 3h0r s LYS 439 N 1.38 2.03 -1.49 4.98 -0.14 0.56 -4.63 119.74 122.42 3h0r s LYS 439 Ca 0.02 -0.68 -0.06 0.00 -1.36 0.00 0.00 55.97 53.90 3h0r s LYS 439 Cb -0.13 -2.22 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 3h0r s LYS 439 CO -0.09 -0.36 0.57 -0.25 -0.76 0.00 0.00 175.35 174.46 3h0r n ASP 440 N 4.75 -5.55 0.00 2.83 8.00 -1.26 -2.08 116.55 123.24 3h0r n ASP 440 Ca -0.15 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3h0r n ASP 440 Cb 0.48 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 3h0r n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0r n GLY 441 N -1.43 0.78 3.32 0.44 0.00 -1.26 -5.04 105.19 102.00 3h0r n GLY 441 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3h0r n GLY 441 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0r s LEU 442 N 0.00 2.29 0.51 0.99 1.43 -0.88 -4.90 118.68 118.12 3h0r s LEU 442 Ca 0.00 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 3h0r s LEU 442 Cb 0.00 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 3h0r s LEU 442 CO 0.00 0.25 1.21 -2.65 0.23 0.00 0.00 176.35 175.39 3h0r n PRO 443 N 2.91 1.55 -4.52 1.29 -0.02 -1.26 -0.33 135.00 134.62 3h0r n PRO 443 Ca -0.17 0.57 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 3h0r n PRO 443 Cb 0.52 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 3h0r n PRO 443 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h0r s VAL 444 N -1.31 1.02 -0.12 -1.45 1.01 -0.52 -4.65 120.40 114.38 3h0r s VAL 444 Ca 0.69 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3h0r s VAL 444 Cb -0.46 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3h0r s VAL 444 CO 0.52 0.33 0.08 -0.83 0.00 0.00 0.00 175.10 175.20 3h0r s GLY 445 N 0.61 2.01 -0.14 4.51 0.00 -1.26 -0.29 107.32 112.76 3h0r s GLY 445 Ca -0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 3h0r s GLY 445 CO 0.03 -0.34 0.16 -0.32 0.00 0.00 0.00 173.10 172.62 3h0r s GLY 446 N -0.69 2.14 -0.14 0.20 0.00 0.21 -1.29 107.32 107.76 3h0r s GLY 446 Ca 0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 3h0r s GLY 446 CO 0.02 -0.12 0.02 1.62 0.00 0.00 0.00 173.10 174.64 3h0r s GLN 447 N -0.45 3.51 -0.13 2.90 0.74 0.15 -0.57 119.66 125.81 3h0r s GLN 447 Ca 0.13 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.16 3h0r s GLN 447 Cb -0.12 -2.98 0.01 0.00 1.10 0.00 0.00 33.01 31.02 3h0r s GLN 447 CO 0.02 0.44 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.48 3h0r s LEU 448 N -0.15 2.07 -0.20 3.68 1.43 -0.69 -1.56 118.68 123.26 3h0r s LEU 448 Ca 0.05 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3h0r s LEU 448 Cb -0.12 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3h0r s LEU 448 CO 0.02 0.08 0.06 -0.63 0.23 0.00 0.00 176.35 176.11 3h0r s ILE 449 N 0.77 4.68 0.47 -0.59 1.01 0.14 -1.43 121.20 126.26 3h0r s ILE 449 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3h0r s ILE 449 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3h0r s ILE 449 CO -0.01 0.43 0.41 -0.83 0.00 0.00 0.00 174.94 174.95 3h0r s GLY 450 N 0.64 2.19 0.69 6.18 0.00 -0.71 -0.54 107.32 115.78 3h0r s GLY 450 Ca 0.03 -1.71 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 3h0r s GLY 450 CO 0.02 -1.79 1.07 0.54 0.00 0.00 0.00 173.10 172.93 3h0r s LYS 451 N -4.22 2.81 -0.01 2.90 1.02 -1.26 -4.10 119.74 116.87 3h0r s LYS 451 Ca 0.44 1.10 -0.36 0.00 0.02 0.00 0.00 55.97 57.17 3h0r s LYS 451 Cb -0.03 -1.97 -0.14 0.00 -0.52 0.00 0.00 37.83 35.17 3h0r s LYS 451 CO 0.26 -1.21 1.65 0.72 -0.92 0.00 0.00 175.35 175.85 3h0r n HIS 452 N -2.98 2.08 -0.99 3.18 8.25 -1.26 -1.18 115.22 122.32 3h0r n HIS 452 Ca 0.08 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 3h0r n HIS 452 Cb 0.53 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.12 3h0r n HIS 452 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3h0r n TRP 453 N 4.55 0.00 -2.06 4.41 7.02 -1.26 -4.93 117.44 125.17 3h0r n TRP 453 Ca 0.21 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.33 3h0r n TRP 453 Cb 0.24 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 28.99 3h0r n TRP 453 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3h0r n ASP 454 N -0.07 6.75 0.10 -0.99 2.03 -0.33 -4.62 116.55 119.43 3h0r n ASP 454 Ca 0.00 -3.81 0.03 0.00 0.52 0.00 0.00 54.79 51.54 3h0r n ASP 454 Cb 0.03 -0.90 0.43 0.00 -0.72 0.00 0.00 41.12 39.96 3h0r n ASP 454 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3h0r h GLU 455 N 2.86 0.30 -0.21 -0.67 3.07 -1.92 -3.14 114.58 114.87 3h0r h GLU 455 Ca 0.50 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.36 3h0r h GLU 455 Cb 0.29 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 3h0r h GLU 455 CO 1.28 0.33 -0.40 1.15 -1.40 0.00 0.00 179.01 179.97 3h0r h THR 456 N 0.30 0.17 -0.29 1.13 2.02 -1.98 0.52 112.91 114.77 3h0r h THR 456 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3h0r h THR 456 Cb 0.21 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3h0r h THR 456 CO 0.00 0.00 0.16 0.74 0.37 0.00 0.00 175.52 176.79 3h0r h THR 457 N -0.42 1.01 -0.99 3.16 2.02 -1.94 0.26 112.91 116.01 3h0r h THR 457 Ca 0.10 -0.11 0.16 0.00 0.77 0.00 0.00 66.41 67.33 3h0r h THR 457 Cb 0.60 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 67.56 3h0r h THR 457 CO -0.44 0.06 0.60 -0.07 0.37 0.00 0.00 175.52 176.05 3h0r h LEU 458 N 0.32 0.82 -0.14 2.58 4.07 -1.50 -1.38 115.31 120.08 3h0r h LEU 458 Ca 0.12 0.08 -0.23 0.00 0.08 0.00 0.00 57.88 57.92 3h0r h LEU 458 Cb 0.02 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 41.70 3h0r h LEU 458 CO -0.07 0.35 -0.91 -0.07 -1.08 0.00 0.00 178.44 176.66 3h0r h LEU 459 N 0.84 0.78 -0.08 1.67 3.38 0.35 -2.84 115.31 119.41 3h0r h LEU 459 Ca 0.54 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h0r h LEU 459 Cb 0.73 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h0r h LEU 459 CO -0.34 1.37 0.04 1.56 0.09 0.00 0.00 178.44 181.16 3h0r h GLN 460 N 0.39 0.09 -0.34 1.13 4.20 0.16 0.90 115.11 121.63 3h0r h GLN 460 Ca -0.08 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3h0r h GLN 460 Cb 1.54 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 3h0r h GLN 460 CO 0.17 0.06 0.05 0.82 -0.67 0.00 0.00 178.83 179.27 3h0r h ILE 461 N 0.09 1.17 -0.40 2.54 2.04 -1.36 -0.47 117.51 121.13 3h0r h ILE 461 Ca 0.03 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 3h0r h ILE 461 Cb -0.00 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3h0r h ILE 461 CO -0.01 0.23 -0.31 -1.28 0.00 0.00 0.00 178.15 176.77 3h0r h SER 462 N 0.50 0.93 -0.48 1.72 0.87 -1.12 -0.73 113.55 115.23 3h0r h SER 462 Ca 0.11 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.20 3h0r h SER 462 Cb 0.24 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3h0r h SER 462 CO 0.00 1.16 -0.03 0.22 -0.53 0.00 0.00 176.83 177.65 3h0r h TYR 463 N 0.74 0.95 -0.80 2.24 3.20 -0.11 -2.20 116.97 120.99 3h0r h TYR 463 Ca 0.08 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 3h0r h TYR 463 Cb 0.88 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3h0r h TYR 463 CO 0.05 0.91 0.36 1.25 -1.64 0.00 0.00 178.16 179.10 3h0r h LEU 464 N 0.72 1.06 -0.93 2.82 5.85 -1.02 -3.09 115.31 120.72 3h0r h LEU 464 Ca 0.13 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3h0r h LEU 464 Cb 0.55 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3h0r h LEU 464 CO 0.03 0.92 -0.46 -0.25 -0.34 0.00 0.00 178.44 178.34 3h0r h TRP 465 N 1.14 0.21 0.00 1.25 2.91 -0.97 -2.83 115.95 117.66 3h0r h TRP 465 Ca 0.27 -0.06 -0.09 0.00 1.13 0.00 0.00 58.89 60.14 3h0r h TRP 465 Cb 0.15 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 3h0r h TRP 465 CO 0.01 0.61 -0.45 1.05 -1.03 0.00 0.00 178.44 178.63 3h0r h GLU 466 N 0.15 0.00 -0.44 2.65 4.11 -1.34 0.18 114.58 119.88 3h0r h GLU 466 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 3h0r h GLU 466 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3h0r h GLU 466 CO 0.07 0.45 0.11 1.96 0.07 0.00 0.00 179.01 181.67 3h0r h GLN 467 N 0.00 0.70 -0.18 1.06 1.08 -1.42 -2.92 115.11 113.42 3h0r h GLN 467 Ca -0.00 -0.16 -0.20 0.00 -1.45 0.00 0.00 58.65 56.83 3h0r h GLN 467 Cb 0.97 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3h0r h GLN 467 CO 0.06 0.70 -0.69 0.87 -0.95 0.00 0.00 178.83 178.82 3h0r h LYS 468 N 0.57 0.72 -3.49 1.46 1.57 -1.37 -3.42 116.57 112.61 3h0r h LYS 468 Ca 0.14 -0.53 -0.56 0.00 -1.87 0.00 0.00 60.65 57.83 3h0r h LYS 468 Cb 0.31 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 32.31 3h0r h LYS 468 CO 0.00 1.15 -0.76 0.12 -0.57 0.00 0.00 179.45 179.39 3h0r s PHE 469 N -3.85 1.36 -1.29 -1.35 5.36 0.61 -5.06 117.98 113.77 3h0r s PHE 469 Ca -0.09 -1.38 -0.11 0.00 -0.96 0.00 0.00 56.93 54.39 3h0r s PHE 469 Cb 0.10 -1.41 0.15 0.00 -0.34 0.00 0.00 43.02 41.52 3h0r s PHE 469 CO 0.88 -0.79 1.84 1.63 -1.46 0.00 0.00 175.22 177.32 3h0r n LYS 470 N 4.95 3.47 0.25 10.12 5.02 -1.14 -4.18 118.16 136.66 3h0r n LYS 470 Ca -0.05 -3.47 0.17 0.00 -2.02 0.00 0.00 58.31 52.94 3h0r n LYS 470 Cb 0.44 -3.01 0.74 0.00 -0.02 0.00 0.00 35.03 33.18 3h0r n LYS 470 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3h0r h HIS 471 N 6.09 0.00 0.00 2.13 2.07 -1.91 -2.59 115.15 120.93 3h0r h HIS 471 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 3h0r h HIS 471 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3h0r h HIS 471 CO 1.26 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 178.60 3h0r n TYR 472 N -2.84 0.00 0.06 6.12 0.18 -1.26 -2.38 117.16 117.03 3h0r n TYR 472 Ca 0.00 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.80 3h0r n TYR 472 Cb 0.22 -0.45 -0.06 0.00 -0.38 0.00 0.00 39.34 38.68 3h0r n TYR 472 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 3h0r h GLU 473 N 0.00 0.00 -6.39 -3.48 5.08 -1.85 -3.44 114.58 104.51 3h0r h GLU 473 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3h0r h GLU 473 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3h0r h GLU 473 CO 0.00 0.27 1.13 0.15 -1.00 0.00 0.00 179.01 179.56 3h0r s LYS 474 N -2.99 3.31 -0.21 2.33 -0.14 -1.00 -4.97 119.74 116.07 3h0r s LYS 474 Ca -0.02 0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 55.26 3h0r s LYS 474 Cb 0.09 -4.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.12 3h0r s LYS 474 CO 0.80 -1.91 -0.11 0.42 -0.76 0.00 0.00 175.35 173.79 3h0r s ILE 475 N 6.25 2.71 1.04 2.17 1.01 -1.26 -5.06 121.20 128.05 3h0r s ILE 475 Ca 0.58 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 3h0r s ILE 475 Cb -0.13 -2.24 0.22 0.00 0.01 0.00 0.00 42.46 40.33 3h0r s ILE 475 CO 0.27 0.42 1.23 -2.16 0.00 0.00 0.00 174.94 174.70 3h0r s PRO 476 N 1.36 0.09 -1.22 2.79 0.04 -1.26 -4.36 135.00 132.44 3h0r s PRO 476 Ca 0.04 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.68 3h0r s PRO 476 Cb -0.14 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3h0r s PRO 476 CO -0.08 -2.82 0.68 1.28 0.04 0.00 0.00 177.00 176.10 3h0r n LEU 477 N -4.09 -2.14 0.00 -3.56 4.77 -1.26 -4.89 117.00 105.82 3h0r n LEU 477 Ca 0.13 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3h0r n LEU 477 Cb 0.59 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 3h0r n LEU 477 CO 0.47 0.54 0.00 0.35 -1.33 0.00 0.00 177.39 177.42