#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkj h LYS 40 N 0.00 -0.55 -1.00 0.54 2.10 -2.06 -1.17 116.57 114.44 2rkj h LYS 40 Ca 0.00 0.04 0.34 0.00 -2.00 0.00 0.00 60.65 59.03 2rkj h LYS 40 Cb 0.00 0.12 -0.18 0.00 -0.90 0.00 0.00 32.23 31.27 2rkj h LYS 40 CO 0.00 -0.36 0.26 -0.92 -2.00 0.00 0.00 179.45 176.42 2rkj h TYR 41 N -0.57 0.34 0.20 0.07 3.20 -2.06 0.47 116.97 118.63 2rkj h TYR 41 Ca 0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2rkj h TYR 41 Cb 0.55 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2rkj h TYR 41 CO -0.22 -0.45 -0.36 1.15 -1.64 0.00 0.00 178.16 176.63 2rkj h THR 42 N 0.01 0.00 -1.09 1.81 2.02 -1.68 -1.02 112.91 112.96 2rkj h THR 42 Ca 0.71 0.00 0.29 0.00 0.77 0.00 0.00 66.41 68.19 2rkj h THR 42 Cb 1.69 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 2rkj h THR 42 CO -0.86 0.00 0.72 0.00 0.37 0.00 0.00 175.52 175.76 2rkj h ALA 43 N -1.00 2.50 0.86 6.16 0.00 0.14 -1.67 119.26 126.25 2rkj h ALA 43 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2rkj h ALA 43 Cb 0.56 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2rkj h ALA 43 CO -0.13 -0.90 -0.42 0.87 0.00 0.00 0.00 179.25 178.67 2rkj h LYS 44 N 0.26 -1.13 -0.78 0.00 1.57 0.13 -0.55 116.57 116.08 2rkj h LYS 44 Ca 0.59 0.08 0.21 0.00 -1.87 0.00 0.00 60.65 59.66 2rkj h LYS 44 Cb 1.76 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 2rkj h LYS 44 CO -0.22 -0.75 0.55 0.97 -0.57 0.00 0.00 179.45 179.43 2rkj h ILE 45 N -1.17 0.65 -0.47 1.86 2.10 -0.79 0.28 117.51 119.97 2rkj h ILE 45 Ca -0.12 -0.03 -0.12 0.00 1.08 0.00 0.00 64.86 65.67 2rkj h ILE 45 Cb 0.90 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 2rkj h ILE 45 CO 0.18 0.02 -0.17 0.78 -1.08 0.00 0.00 178.15 177.89 2rkj h ASN 46 N 0.10 0.96 0.00 2.19 2.35 -0.96 -2.92 115.58 117.29 2rkj h ASN 46 Ca 0.38 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2rkj h ASN 46 Cb 1.35 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2rkj h ASN 46 CO -0.04 1.12 0.00 1.21 -1.65 0.00 0.00 177.43 178.07 2rkj n GLU 47 N -4.18 0.00 -0.35 0.81 4.07 0.97 -1.35 120.64 120.60 2rkj n GLU 47 Ca -0.00 0.66 0.35 0.00 -0.06 0.00 0.00 57.16 58.11 2rkj n GLU 47 Cb 0.42 -1.38 0.72 0.00 -0.06 0.00 0.00 31.44 31.14 2rkj n GLU 47 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rkj h ALA 48 N -1.58 3.04 0.79 4.31 0.00 -1.64 0.33 119.26 124.51 2rkj h ALA 48 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2rkj h ALA 48 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2rkj h ALA 48 CO 0.00 -1.41 -0.38 1.49 0.00 0.00 0.00 179.25 178.95 2rkj h GLU 49 N 0.05 -1.02 -0.34 0.00 4.57 -1.01 -1.60 114.58 115.24 2rkj h GLU 49 Ca 0.60 0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.92 2rkj h GLU 49 Cb 2.27 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 31.01 2rkj h GLU 49 CO -0.06 -0.68 -0.22 0.93 -1.18 0.00 0.00 179.01 177.80 2rkj h GLU 50 N -1.06 -0.17 -0.62 1.92 5.08 0.23 -1.02 114.58 118.94 2rkj h GLU 50 Ca -0.11 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2rkj h GLU 50 Cb 0.81 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 2rkj h GLU 50 CO 0.18 -0.11 0.16 -0.91 -1.00 0.00 0.00 179.01 177.32 2rkj h ASN 51 N -0.18 0.06 -1.05 1.42 4.21 -1.40 0.97 115.58 119.61 2rkj h ASN 51 Ca 0.17 0.11 0.28 0.00 1.21 0.00 0.00 56.30 58.07 2rkj h ASN 51 Cb 0.44 0.13 -0.08 0.00 -1.12 0.00 0.00 38.32 37.70 2rkj h ASN 51 CO -0.44 0.04 0.71 -0.25 -1.29 0.00 0.00 177.43 176.19 2rkj h TRP 52 N 0.30 0.42 -0.08 1.19 2.91 -0.15 0.68 115.95 121.22 2rkj h TRP 52 Ca 0.32 0.01 -0.21 0.00 1.13 0.00 0.00 58.89 60.15 2rkj h TRP 52 Cb 0.47 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 2rkj h TRP 52 CO -0.23 0.04 -0.81 1.96 -1.03 0.00 0.00 178.44 178.38 2rkj h GLN 53 N 0.26 0.55 -0.82 2.65 1.08 -0.60 0.11 115.11 118.34 2rkj h GLN 53 Ca 0.56 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2rkj h GLN 53 Cb 1.70 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 29.19 2rkj h GLN 53 CO -0.19 1.11 0.53 0.00 -0.95 0.00 0.00 178.83 179.33 2rkj h ALA 54 N 0.74 1.07 -0.00 3.87 0.00 0.70 -0.46 119.26 125.18 2rkj h ALA 54 Ca -0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2rkj h ALA 54 Cb 1.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2rkj h ALA 54 CO 0.15 0.37 -0.78 -0.09 0.00 0.00 0.00 179.25 178.90 2rkj h ARG 55 N 1.04 0.06 -0.43 0.00 2.43 -1.07 -2.61 114.38 113.80 2rkj h ARG 55 Ca 0.32 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2rkj h ARG 55 Cb -0.02 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2rkj h ARG 55 CO -0.10 0.81 0.17 0.00 -1.51 0.00 0.00 179.97 179.33 2rkj h ALA 56 N 1.17 1.50 -0.14 2.80 0.00 0.25 -2.62 119.26 122.23 2rkj h ALA 56 Ca -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2rkj h ALA 56 Cb 1.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2rkj h ALA 56 CO 0.11 0.39 -0.19 1.49 0.00 0.00 0.00 179.25 181.05 2rkj h GLU 57 N 0.61 0.37 -0.94 0.00 4.57 -0.92 -2.78 114.58 115.49 2rkj h GLU 57 Ca 0.15 -0.21 0.21 0.00 -1.18 0.00 0.00 59.36 58.32 2rkj h GLU 57 Cb 0.13 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.62 2rkj h GLU 57 CO -0.01 0.79 0.49 0.00 -1.18 0.00 0.00 179.01 179.10 2rkj h ALA 58 N 0.58 1.55 -0.24 2.92 0.00 -1.09 0.91 119.26 123.88 2rkj h ALA 58 Ca 0.02 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2rkj h ALA 58 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rkj h ALA 58 CO 0.04 -0.23 -0.59 0.82 0.00 0.00 0.00 179.25 179.29 2rkj h ILE 59 N 0.55 1.29 0.00 0.00 2.04 -1.57 0.94 117.51 120.76 2rkj h ILE 59 Ca 0.57 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2rkj h ILE 59 Cb 1.01 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2rkj h ILE 59 CO -0.46 0.58 0.00 0.50 0.00 0.00 0.00 178.15 178.77 2rkj h LYS 60 N 0.59 0.00 0.00 2.37 3.64 0.80 -2.67 116.57 121.30 2rkj h LYS 60 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2rkj h LYS 60 Cb 1.19 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.89 2rkj h LYS 60 CO 0.13 0.00 -0.61 1.63 -2.27 0.00 0.00 179.45 178.32 2rkj n LYS 61 N -3.07 0.90 -2.96 1.90 5.02 0.20 -5.05 118.16 115.10 2rkj n LYS 61 Ca -0.01 -2.60 -0.07 0.00 -2.02 0.00 0.00 58.31 53.61 2rkj n LYS 61 Cb 0.20 -0.99 0.01 0.00 -0.02 0.00 0.00 35.03 34.23 2rkj n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rkj n GLY 62 N -0.54 -2.10 0.00 0.72 0.00 0.18 -4.96 105.19 98.48 2rkj n GLY 62 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2rkj n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rkj n LYS 63 N 0.50 1.10 -3.72 1.61 5.02 0.30 -4.96 118.16 118.02 2rkj n LYS 63 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2rkj n LYS 63 Cb 0.30 -0.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.96 2rkj n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2rkj s LYS 64 N -0.61 0.26 0.16 1.97 2.20 -1.23 -4.97 119.74 117.53 2rkj s LYS 64 Ca 0.00 0.60 -0.33 0.00 -0.36 0.00 0.00 55.97 55.88 2rkj s LYS 64 Cb 0.00 -0.08 -0.13 0.00 -1.51 0.00 0.00 37.83 36.11 2rkj s LYS 64 CO 0.00 -0.16 1.64 0.94 -0.36 0.00 0.00 175.35 177.41 2rkj n GLN 65 N 4.19 2.35 -2.01 4.03 7.27 -1.26 -4.01 117.38 127.94 2rkj n GLN 65 Ca -0.24 0.85 -0.42 0.00 0.07 0.00 0.00 57.00 57.26 2rkj n GLN 65 Cb 0.54 -2.65 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 2rkj n GLN 65 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2rkj s ASN 66 N 1.20 6.66 0.22 1.69 3.04 -1.26 -4.78 114.94 121.70 2rkj s ASN 66 Ca 0.79 2.59 -0.02 0.00 0.04 0.00 0.00 52.86 56.26 2rkj s ASN 66 Cb -0.62 -2.61 0.48 0.00 -1.54 0.00 0.00 41.25 36.96 2rkj s ASN 66 CO 0.37 -0.74 1.17 0.41 -3.04 0.00 0.00 177.10 175.27 2rkj n THR 67 N 3.24 -0.31 0.22 -5.21 -1.04 -1.26 0.16 114.28 110.08 2rkj n THR 67 Ca 0.10 1.68 0.06 0.00 -2.04 0.00 0.00 64.05 63.85 2rkj n THR 67 Cb 0.40 -2.40 0.50 0.00 -1.82 0.00 0.00 70.33 67.01 2rkj n THR 67 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2rkj h TRP 68 N 0.00 0.00 -0.15 -1.42 2.91 -1.91 -0.78 115.95 114.60 2rkj h TRP 68 Ca 0.41 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 60.22 2rkj h TRP 68 Cb 0.77 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.43 2rkj h TRP 68 CO -0.47 0.24 -0.75 -0.44 -1.03 0.00 0.00 178.44 175.99 2rkj h ASP 69 N 0.00 0.91 0.19 2.65 3.32 0.13 -2.09 116.42 121.52 2rkj h ASP 69 Ca -0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 2rkj h ASP 69 Cb 0.45 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2rkj h ASP 69 CO 0.03 1.40 -0.04 0.25 -1.72 0.00 0.00 179.24 179.16 2rkj h LEU 70 N 0.49 0.00 0.14 1.55 6.46 -0.49 0.13 115.31 123.60 2rkj h LEU 70 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2rkj h LEU 70 Cb 1.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 2rkj h LEU 70 CO 0.16 0.04 -0.07 -0.26 -0.62 0.00 0.00 178.44 177.69 2rkj h PHE 71 N 0.00 -0.18 0.00 1.25 0.05 -0.68 -1.99 116.94 115.39 2rkj h PHE 71 Ca -0.00 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.78 2rkj h PHE 71 Cb 0.15 0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.16 2rkj h PHE 71 CO 0.00 -0.11 -0.01 0.93 -0.18 0.00 0.00 178.31 178.94 2rkj h GLU 72 N -0.42 0.00 0.20 1.51 5.08 -1.29 -0.70 114.58 118.96 2rkj h GLU 72 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2rkj h GLU 72 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2rkj h GLU 72 CO 0.03 0.01 -0.09 1.49 -1.00 0.00 0.00 179.01 179.45 2rkj h GLU 73 N 0.00 -0.25 -0.28 2.33 4.22 -0.80 -3.03 114.58 116.76 2rkj h GLU 73 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2rkj h GLU 73 Cb 0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2rkj h GLU 73 CO 0.00 0.15 0.00 0.54 -2.18 0.00 0.00 179.01 177.52 2rkj n ARG 74 N -4.97 0.79 -3.51 1.92 1.74 -0.75 -4.83 116.66 107.05 2rkj n ARG 74 Ca -0.08 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.80 2rkj n ARG 74 Cb 0.26 -1.14 0.08 0.00 -1.02 0.00 0.00 32.46 30.64 2rkj n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rkj n GLY 75 N 0.23 -0.44 0.05 -0.13 0.00 -1.03 -4.20 105.19 99.66 2rkj n GLY 75 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2rkj n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rkj n TYR 76 N -4.53 0.41 -4.25 1.61 4.01 -0.30 -4.69 117.16 109.43 2rkj n TYR 76 Ca -0.15 0.12 -0.35 0.00 -0.16 0.00 0.00 57.90 57.35 2rkj n TYR 76 Cb 0.62 -0.56 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 2rkj n TYR 76 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2rkj s VAL 77 N -3.21 4.56 0.00 -0.72 1.01 -1.25 -3.42 120.40 117.35 2rkj s VAL 77 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2rkj s VAL 77 Cb 0.14 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2rkj s VAL 77 CO 0.78 0.59 0.00 1.17 0.00 0.00 0.00 175.10 177.64 2rkj n LYS 78 N 2.32 0.00 -4.28 2.72 4.81 -0.43 -4.71 118.16 118.59 2rkj n LYS 78 Ca -0.19 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.10 2rkj n LYS 78 Cb 0.54 -0.71 -0.10 0.00 0.02 0.00 0.00 35.03 34.77 2rkj n LYS 78 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2rkj s ASP 79 N -4.12 1.52 -0.04 3.14 1.11 -1.17 -5.03 116.67 112.09 2rkj s ASP 79 Ca 0.00 -1.17 -0.12 0.00 0.18 0.00 0.00 52.55 51.44 2rkj s ASP 79 Cb 0.00 0.06 0.02 0.00 1.07 0.00 0.00 42.92 44.07 2rkj s ASP 79 CO 0.00 -0.52 0.26 0.28 1.18 0.00 0.00 175.17 176.37 2rkj s THR 80 N -3.53 0.05 -0.45 -1.27 -1.32 -1.26 -2.37 115.64 105.50 2rkj s THR 80 Ca 0.25 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.36 2rkj s THR 80 Cb 0.05 -0.51 0.12 0.00 -1.51 0.00 0.00 72.50 70.66 2rkj s THR 80 CO 0.06 -0.21 0.20 0.00 -2.21 0.00 0.00 174.62 172.46 2rkj s ALA 81 N -0.89 3.17 0.00 11.08 0.00 -0.28 -4.99 121.76 129.85 2rkj s ALA 81 Ca -0.10 -2.85 0.00 0.00 0.00 0.00 0.00 51.96 49.02 2rkj s ALA 81 Cb -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2rkj s ALA 81 CO 0.02 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.33 2rkj n GLY 82 N 3.90 2.90 3.73 0.00 0.00 -1.26 -2.81 105.19 111.65 2rkj n GLY 82 Ca 0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2rkj n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkj s THR 83 N -1.98 3.59 0.27 2.61 2.01 -1.26 -4.89 115.64 115.99 2rkj s THR 83 Ca 0.00 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.30 2rkj s THR 83 Cb 0.00 -3.83 0.26 0.00 0.01 0.00 0.00 72.50 68.94 2rkj s THR 83 CO 0.00 0.19 1.72 0.07 -0.69 0.00 0.00 174.62 175.91 2rkj h LYS 84 N 5.52 0.46 0.00 4.92 2.10 -1.97 0.33 116.57 127.93 2rkj h LYS 84 Ca -0.44 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.03 2rkj h LYS 84 Cb 1.21 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 2rkj h LYS 84 CO 0.76 0.31 -0.72 0.93 -2.00 0.00 0.00 179.45 178.73 2rkj h GLU 85 N 0.48 0.00 0.33 0.07 3.07 -1.99 -2.90 114.58 113.64 2rkj h GLU 85 Ca 0.50 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.34 2rkj h GLU 85 Cb 0.84 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2rkj h GLU 85 CO -0.45 0.72 -0.22 1.25 -1.40 0.00 0.00 179.01 178.90 2rkj h HIS 86 N 0.00 -0.60 -0.65 4.33 2.76 -0.82 -0.96 115.15 119.20 2rkj h HIS 86 Ca -0.01 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.34 2rkj h HIS 86 Cb 1.39 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 30.54 2rkj h HIS 86 CO 0.00 -0.32 0.46 0.82 -1.30 0.00 0.00 177.93 177.59 2rkj h ILE 87 N -0.53 0.70 0.25 6.26 2.04 -0.97 -2.07 117.51 123.19 2rkj h ILE 87 Ca -0.04 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2rkj h ILE 87 Cb 0.43 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2rkj h ILE 87 CO 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 178.15 178.08 2rkj h ALA 88 N 1.68 -1.00 -0.61 1.87 0.00 -1.22 -2.51 119.26 117.46 2rkj h ALA 88 Ca 0.31 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2rkj h ALA 88 Cb 1.16 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 2rkj h ALA 88 CO -0.02 -0.98 -0.10 1.49 0.00 0.00 0.00 179.25 179.64 2rkj h GLU 89 N -0.35 0.03 -1.00 0.00 4.57 -0.81 0.27 114.58 117.30 2rkj h GLU 89 Ca -0.03 -0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.33 2rkj h GLU 89 Cb 0.25 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.73 2rkj h GLU 89 CO 0.06 0.02 0.61 1.25 -1.18 0.00 0.00 179.01 179.76 2rkj h LEU 90 N 0.03 0.79 -0.05 1.64 5.85 -1.43 0.38 115.31 122.53 2rkj h LEU 90 Ca 0.30 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2rkj h LEU 90 Cb 0.48 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2rkj h LEU 90 CO -0.60 0.29 0.00 0.23 -0.34 0.00 0.00 178.44 178.02 2rkj n MET 91 N -4.76 0.06 0.01 1.25 2.81 0.04 -2.04 117.12 114.50 2rkj n MET 91 Ca 0.23 0.13 -0.12 0.00 -1.81 0.00 0.00 57.70 56.12 2rkj n MET 91 Cb 0.55 -1.58 -0.14 0.00 -0.71 0.00 0.00 33.22 31.34 2rkj n MET 91 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2rkj h ARG 92 N 0.00 0.10 -0.10 0.03 2.43 0.23 -3.39 114.38 113.68 2rkj h ARG 92 Ca 0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2rkj h ARG 92 Cb 0.47 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2rkj h ARG 92 CO 0.00 0.81 -0.08 0.25 -1.51 0.00 0.00 179.97 179.44 2rkj n THR 93 N -3.25 2.11 -3.65 0.20 -2.24 -0.85 -4.10 114.28 102.50 2rkj n THR 93 Ca -0.17 -2.37 -0.03 0.00 -2.27 0.00 0.00 64.05 59.21 2rkj n THR 93 Cb 1.03 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 2rkj n THR 93 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2rkj s ARG 94 N -2.96 0.54 0.00 -0.78 3.52 -0.86 -5.00 118.95 113.41 2rkj s ARG 94 Ca 0.37 1.35 -0.01 0.00 -0.13 0.00 0.00 55.73 57.31 2rkj s ARG 94 Cb 0.32 0.69 -0.03 0.00 -1.56 0.00 0.00 34.95 34.37 2rkj s ARG 94 CO 0.03 -0.20 1.58 -2.13 -0.81 0.00 0.00 175.30 173.77 2rkj n ARG 95 N 5.29 0.80 -0.98 5.12 0.63 -1.26 -4.61 116.66 121.65 2rkj n ARG 95 Ca -0.12 -0.11 -0.37 0.00 -0.92 0.00 0.00 57.85 56.33 2rkj n ARG 95 Cb 0.50 -1.26 0.03 0.00 0.45 0.00 0.00 32.46 32.18 2rkj n ARG 95 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2rkj n ILE 96 N 1.81 0.00 -4.82 5.15 -6.64 -1.26 -3.71 119.36 109.89 2rkj n ILE 96 Ca 0.05 -0.19 -0.32 0.00 -1.77 0.00 0.00 62.75 60.51 2rkj n ILE 96 Cb 0.39 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.46 2rkj n ILE 96 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2rkj s GLY 97 N -0.98 1.56 0.01 3.28 0.00 -0.93 -2.25 107.32 108.00 2rkj s GLY 97 Ca 0.37 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 2rkj s GLY 97 CO 0.71 -0.82 0.06 0.00 0.00 0.00 0.00 173.10 173.05 2rkj s ALA 98 N -0.78 -0.12 0.24 3.20 0.00 -0.36 -0.78 121.76 123.16 2rkj s ALA 98 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2rkj s ALA 98 Cb -0.11 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2rkj s ALA 98 CO 0.02 -0.17 0.08 1.52 0.00 0.00 0.00 175.76 177.21 2rkj s TYR 99 N -1.30 1.45 -0.16 0.00 -0.85 -1.05 -0.93 117.35 114.52 2rkj s TYR 99 Ca -0.14 -1.17 -0.01 0.00 -0.52 0.00 0.00 57.07 55.24 2rkj s TYR 99 Cb -0.08 -0.84 0.04 0.00 0.38 0.00 0.00 41.96 41.46 2rkj s TYR 99 CO 0.00 -0.34 -0.04 0.08 -1.52 0.00 0.00 175.55 173.73 2rkj s VAL 100 N -3.77 1.01 0.12 -3.49 1.01 -0.90 -1.99 120.40 112.39 2rkj s VAL 100 Ca 0.35 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2rkj s VAL 100 Cb 0.07 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 2rkj s VAL 100 CO 0.12 0.12 0.96 -0.83 0.00 0.00 0.00 175.10 175.47 2rkj s GLY 101 N 1.68 3.01 -0.21 4.51 0.00 -1.26 -1.99 107.32 113.05 2rkj s GLY 101 Ca 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.26 2rkj s GLY 101 CO -0.08 1.43 0.16 -0.42 0.00 0.00 0.00 173.10 174.20 2rkj s ILE 102 N -0.10 -0.20 -0.05 0.90 1.01 -0.61 -4.96 121.20 117.19 2rkj s ILE 102 Ca 0.46 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 2rkj s ILE 102 Cb -0.23 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2rkj s ILE 102 CO 0.30 -0.35 1.11 -1.81 0.00 0.00 0.00 174.94 174.19 2rkj s ASP 103 N 2.22 7.16 -1.53 3.58 1.11 -1.26 -1.80 116.67 126.15 2rkj s ASP 103 Ca 0.06 1.72 -0.12 0.00 0.18 0.00 0.00 52.55 54.39 2rkj s ASP 103 Cb -0.16 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 2rkj s ASP 103 CO -0.17 -0.48 2.57 -0.81 1.18 0.00 0.00 175.17 177.47 2rkj n PRO 104 N 4.79 3.34 0.00 8.23 -0.04 -1.26 -4.51 135.00 145.55 2rkj n PRO 104 Ca 0.09 -2.47 0.12 0.00 -0.04 0.00 0.00 63.50 61.20 2rkj n PRO 104 Cb 0.48 -3.03 0.15 0.00 -0.04 0.00 0.00 33.50 31.06 2rkj n PRO 104 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2rkj n THR 105 N 4.22 0.00 -4.28 0.52 -2.24 -1.26 -4.14 114.28 107.10 2rkj n THR 105 Ca 0.65 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 62.23 2rkj n THR 105 Cb 0.31 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 2rkj n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rkj s ALA 106 N -2.92 1.65 -0.68 6.98 0.00 -1.26 -5.03 121.76 120.50 2rkj s ALA 106 Ca 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2rkj s ALA 106 Cb 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2rkj s ALA 106 CO 0.72 0.04 0.70 -0.35 0.00 0.00 0.00 175.76 176.87 2rkj n PRO 107 N 0.07 1.12 0.00 0.00 -0.04 -1.26 -4.67 135.00 130.22 2rkj n PRO 107 Ca -0.12 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2rkj n PRO 107 Cb 0.59 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2rkj n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rkj n SER 108 N 0.15 0.00 -4.70 3.54 2.88 -1.26 -4.81 113.62 109.42 2rkj n SER 108 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 2rkj n SER 108 Cb 0.37 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 2rkj n SER 108 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2rkj s LEU 109 N 0.00 4.31 0.26 2.46 1.43 -1.26 -4.92 118.68 120.97 2rkj s LEU 109 Ca 0.00 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 2rkj s LEU 109 Cb 0.00 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 2rkj s LEU 109 CO 0.00 -0.52 0.62 -1.38 0.23 0.00 0.00 176.35 175.30 2rkj s HIS 110 N 1.77 3.41 0.60 0.29 -3.43 -1.26 -2.75 115.29 113.91 2rkj s HIS 110 Ca 0.56 1.00 0.19 0.00 -0.80 0.00 0.00 55.06 56.02 2rkj s HIS 110 Cb -0.26 -2.36 0.66 0.00 -1.43 0.00 0.00 32.58 29.19 2rkj s HIS 110 CO 0.24 0.21 1.18 1.33 -2.00 0.00 0.00 174.74 175.70 2rkj n VAL 111 N -0.21 0.00 -0.26 -5.38 0.24 -0.28 0.28 118.33 112.72 2rkj n VAL 111 Ca 0.02 1.15 -0.06 0.00 -2.04 0.00 0.00 64.34 63.40 2rkj n VAL 111 Cb 0.53 -2.11 0.05 0.00 -1.47 0.00 0.00 33.84 30.84 2rkj n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2rkj h GLY 112 N 0.00 1.15 2.00 7.63 0.00 -1.82 -2.45 103.07 109.58 2rkj h GLY 112 Ca 0.36 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2rkj h GLY 112 CO -0.00 0.58 0.00 1.42 0.00 0.00 0.00 176.54 178.53 2rkj n HIS 113 N -4.37 0.40 0.02 5.60 -0.00 0.14 -3.29 115.22 113.72 2rkj n HIS 113 Ca 0.06 0.21 -0.01 0.00 -0.00 0.00 0.00 57.72 57.98 2rkj n HIS 113 Cb 0.16 -0.83 -0.00 0.00 -0.00 0.00 0.00 29.99 29.32 2rkj n HIS 113 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2rkj h LEU 114 N 0.00 -0.04 -0.45 2.41 3.38 -1.59 -3.17 115.31 115.85 2rkj h LEU 114 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2rkj h LEU 114 Cb 0.01 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2rkj h LEU 114 CO 0.00 -0.02 -0.26 -0.11 0.09 0.00 0.00 178.44 178.14 2rkj n LEU 115 N -2.15 -0.47 -0.33 1.67 7.94 -1.21 0.10 117.00 122.56 2rkj n LEU 115 Ca -0.01 0.91 0.06 0.00 -1.11 0.00 0.00 56.01 55.86 2rkj n LEU 115 Cb 0.02 -0.16 0.22 0.00 0.53 0.00 0.00 43.42 44.02 2rkj n LEU 115 CO 0.01 -0.70 1.19 1.55 -1.11 0.00 0.00 177.39 178.32 2rkj h PRO 116 N 0.00 0.85 -0.36 1.96 0.13 -1.75 -1.86 132.00 130.97 2rkj h PRO 116 Ca 0.07 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.98 2rkj h PRO 116 Cb 0.18 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2rkj h PRO 116 CO -0.42 0.56 -0.43 -0.07 -0.23 0.00 0.00 178.00 177.42 2rkj h LEU 117 N 0.88 1.00 -0.74 1.56 3.38 0.70 -3.34 115.31 118.74 2rkj h LEU 117 Ca 0.46 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2rkj h LEU 117 Cb 0.48 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 2rkj h LEU 117 CO -0.28 1.28 -0.44 0.23 0.09 0.00 0.00 178.44 179.33 2rkj n MET 118 N -4.05 -0.32 -0.25 1.13 2.81 0.13 -0.07 117.12 116.49 2rkj n MET 118 Ca -0.03 1.26 0.01 0.00 -1.81 0.00 0.00 57.70 57.13 2rkj n MET 118 Cb 0.57 -1.86 0.14 0.00 -0.71 0.00 0.00 33.22 31.36 2rkj n MET 118 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2rkj h PRO 119 N 0.00 0.61 -0.25 0.03 0.13 -1.68 -1.57 132.00 129.26 2rkj h PRO 119 Ca 0.12 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.25 2rkj h PRO 119 Cb 0.30 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 31.22 2rkj h PRO 119 CO -0.69 0.40 -0.55 1.25 -0.23 0.00 0.00 178.00 178.18 2rkj h LEU 120 N 0.62 -1.77 -0.79 1.56 5.85 -0.63 0.16 115.31 120.31 2rkj h LEU 120 Ca 0.35 0.22 0.14 0.00 0.84 0.00 0.00 57.88 59.43 2rkj h LEU 120 Cb 0.35 0.71 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 2rkj h LEU 120 CO -0.26 -0.45 -0.29 -0.26 -0.34 0.00 0.00 178.44 176.85 2rkj h PHE 121 N -0.50 -0.73 -0.25 1.25 0.05 -0.29 0.28 116.94 116.75 2rkj h PHE 121 Ca 0.05 0.08 0.06 0.00 3.82 0.00 0.00 57.97 61.98 2rkj h PHE 121 Cb 0.65 0.44 -0.08 0.00 2.00 0.00 0.00 35.95 38.96 2rkj h PHE 121 CO -0.64 -0.37 -0.33 -1.49 -0.18 0.00 0.00 178.31 175.29 2rkj h TRP 122 N -0.05 -0.92 -0.69 -0.55 4.06 0.03 0.17 115.95 118.01 2rkj h TRP 122 Ca 0.33 0.05 0.15 0.00 2.06 0.00 0.00 58.89 61.48 2rkj h TRP 122 Cb 0.58 0.44 -0.12 0.00 -1.00 0.00 0.00 29.16 29.07 2rkj h TRP 122 CO -0.69 -0.40 -0.01 0.52 -3.56 0.00 0.00 178.44 174.30 2rkj h MET 123 N -0.34 0.10 -0.79 0.49 2.86 0.12 0.97 114.93 118.35 2rkj h MET 123 Ca 0.13 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.87 2rkj h MET 123 Cb 0.55 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.11 2rkj h MET 123 CO -0.44 0.07 0.42 -0.92 1.06 0.00 0.00 176.91 177.10 2rkj h TYR 124 N 0.10 0.75 -0.22 -0.22 3.20 0.30 0.12 116.97 121.00 2rkj h TYR 124 Ca 0.36 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2rkj h TYR 124 Cb 0.61 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2rkj h TYR 124 CO -0.40 0.27 0.15 -0.07 -1.64 0.00 0.00 178.16 176.46 2rkj h LEU 125 N 0.69 0.25 -1.34 2.82 3.38 0.35 -1.61 115.31 119.84 2rkj h LEU 125 Ca 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2rkj h LEU 125 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2rkj h LEU 125 CO -0.28 0.18 0.00 -0.08 0.09 0.00 0.00 178.44 178.35 2rkj h GLU 126 N 0.30 0.00 0.00 1.13 4.22 0.88 -3.46 114.58 117.65 2rkj h GLU 126 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2rkj h GLU 126 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2rkj h GLU 126 CO -0.02 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.22 2rkj n GLY 127 N -0.31 0.69 0.00 1.92 0.00 -0.12 -5.09 105.19 102.28 2rkj n GLY 127 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2rkj n GLY 127 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rkj n TYR 128 N 0.00 -0.19 -3.90 1.61 4.02 -0.96 -4.60 117.16 113.14 2rkj n TYR 128 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 2rkj n TYR 128 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 2rkj n TYR 128 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2rkj s LYS 129 N 0.04 2.27 0.11 -0.72 1.02 -0.95 -1.81 119.74 119.69 2rkj s LYS 129 Ca 0.00 -1.42 0.10 0.00 0.02 0.00 0.00 55.97 54.67 2rkj s LYS 129 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2rkj s LYS 129 CO 0.00 -0.73 -0.26 0.00 -0.92 0.00 0.00 175.35 173.45 2rkj s ALA 130 N 1.20 2.23 0.14 5.17 0.00 -0.66 -1.22 121.76 128.63 2rkj s ALA 130 Ca -0.02 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2rkj s ALA 130 Cb -0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2rkj s ALA 130 CO -0.02 0.50 0.19 -0.06 0.00 0.00 0.00 175.76 176.37 2rkj s PHE 131 N -1.03 0.53 -0.07 0.00 0.40 -0.10 -2.90 117.98 114.81 2rkj s PHE 131 Ca 0.12 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2rkj s PHE 131 Cb -0.10 -0.21 0.02 0.00 0.51 0.00 0.00 43.02 43.24 2rkj s PHE 131 CO 0.05 -0.63 -0.08 0.95 0.70 0.00 0.00 175.22 176.22 2rkj s THR 132 N -3.98 0.84 -0.16 0.64 -4.23 -0.80 -2.12 115.64 105.82 2rkj s THR 132 Ca 0.18 -0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2rkj s THR 132 Cb 0.05 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 2rkj s THR 132 CO -0.01 0.30 0.07 -0.22 -0.54 0.00 0.00 174.62 174.22 2rkj s LEU 133 N 1.04 3.88 -0.18 4.79 2.96 -0.84 -1.88 118.68 128.44 2rkj s LEU 133 Ca -0.08 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 2rkj s LEU 133 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2rkj s LEU 133 CO -0.00 0.23 0.07 -0.63 -1.32 0.00 0.00 176.35 174.70 2rkj s ILE 134 N 0.01 4.85 -0.26 6.68 1.01 0.11 -1.57 121.20 132.02 2rkj s ILE 134 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2rkj s ILE 134 Cb -0.12 -3.18 0.21 0.00 0.01 0.00 0.00 42.46 39.37 2rkj s ILE 134 CO 0.01 0.46 1.88 0.61 0.00 0.00 0.00 174.94 177.90 2rkj n GLY 135 N 3.50 3.74 0.00 6.18 0.00 -0.75 0.77 105.19 118.64 2rkj n GLY 135 Ca -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2rkj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkj n GLY 136 N 0.34 -0.05 0.00 -0.02 0.00 -1.26 0.07 105.19 104.26 2rkj n GLY 136 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2rkj n GLY 136 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rkj n SER 137 N -0.84 2.96 0.04 1.61 7.64 -1.26 -4.70 113.62 119.07 2rkj n SER 137 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 2rkj n SER 137 Cb 0.19 0.24 0.36 0.00 -1.01 0.00 0.00 64.21 63.99 2rkj n SER 137 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2rkj n THR 138 N -1.59 0.97 -0.11 0.44 5.66 0.11 -2.67 114.28 117.08 2rkj n THR 138 Ca 0.00 0.25 0.02 0.00 -3.05 0.00 0.00 64.05 61.27 2rkj n THR 138 Cb 0.31 -1.07 0.32 0.00 -1.55 0.00 0.00 70.33 68.34 2rkj n THR 138 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rkj h ALA 139 N 2.41 1.54 0.00 1.79 0.00 -1.65 0.55 119.26 123.91 2rkj h ALA 139 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rkj h ALA 139 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rkj h ALA 139 CO 0.00 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.29 2rkj n LYS 140 N -4.43 0.57 0.16 0.00 4.76 -1.09 -3.57 118.16 114.56 2rkj n LYS 140 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2rkj n LYS 140 Cb 0.06 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2rkj n LYS 140 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2rkj n ILE 141 N 0.06 0.00 -0.98 -0.18 2.08 0.04 -5.01 119.36 115.38 2rkj n ILE 141 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2rkj n ILE 141 Cb 0.11 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 2rkj n ILE 141 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rkj n GLY 142 N 1.05 -3.61 3.67 7.39 0.00 0.17 -4.80 105.19 109.06 2rkj n GLY 142 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2rkj n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rkj s ASP 143 N -4.41 6.61 -0.04 1.61 2.15 -1.26 -4.90 116.67 116.44 2rkj s ASP 143 Ca 0.00 2.40 -0.27 0.00 0.43 0.00 0.00 52.55 55.11 2rkj s ASP 143 Cb 0.00 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2rkj s ASP 143 CO 0.00 -0.93 0.85 -2.16 -0.17 0.00 0.00 175.17 172.76 2rkj s PRO 144 N 3.60 4.49 -0.44 4.34 0.04 -1.26 -4.98 135.00 140.79 2rkj s PRO 144 Ca 0.76 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2rkj s PRO 144 Cb -0.37 -3.46 0.20 0.00 0.04 0.00 0.00 34.50 30.91 2rkj s PRO 144 CO 0.33 -0.02 0.88 -0.08 0.04 0.00 0.00 177.00 178.15 2rkj s THR 145 N 0.98 -0.66 0.00 1.26 -1.32 -1.26 -4.91 115.64 109.72 2rkj s THR 145 Ca 0.45 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 2rkj s THR 145 Cb -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2rkj s THR 145 CO 0.23 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2rkj n GLY 146 N 2.88 2.51 7.00 6.08 0.00 -1.26 -5.12 105.19 117.27 2rkj n GLY 146 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2rkj n GLY 146 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rkj n ASP 158 N 0.00 0.00 0.22 1.61 5.75 -1.26 -4.94 116.55 117.93 2rkj n ASP 158 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 2rkj n ASP 158 Cb 0.00 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.46 2rkj n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rkj h ALA 159 N -0.81 1.36 -0.34 2.12 0.00 -2.00 0.38 119.26 119.96 2rkj h ALA 159 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2rkj h ALA 159 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2rkj h ALA 159 CO 0.00 -0.36 0.16 1.15 0.00 0.00 0.00 179.25 180.20 2rkj h THR 160 N 0.00 0.97 0.00 0.00 2.02 -1.98 -1.15 112.91 112.78 2rkj h THR 160 Ca 0.00 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 2rkj h THR 160 Cb 0.90 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2rkj h THR 160 CO 0.00 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.63 2rkj h MET 161 N 0.33 0.00 -0.49 6.66 -0.00 -0.67 -2.84 114.93 117.92 2rkj h MET 161 Ca 0.14 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.94 2rkj h MET 161 Cb 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.56 2rkj h MET 161 CO -0.11 0.32 -0.27 -0.91 -0.00 0.00 0.00 176.91 175.94 2rkj h ASN 162 N 0.00 -0.93 0.60 -0.10 2.35 -1.14 0.21 115.58 116.57 2rkj h ASN 162 Ca -0.00 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2rkj h ASN 162 Cb 0.97 0.48 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 2rkj h ASN 162 CO 0.04 -0.28 -0.48 -0.03 -1.65 0.00 0.00 177.43 175.03 2rkj h MET 163 N -0.16 -1.02 -0.83 0.81 4.05 -1.32 -2.64 114.93 113.83 2rkj h MET 163 Ca 0.22 0.07 0.13 0.00 -0.28 0.00 0.00 59.70 59.84 2rkj h MET 163 Cb 0.51 0.23 -0.14 0.00 -0.80 0.00 0.00 31.60 31.40 2rkj h MET 163 CO -0.58 -0.68 -0.30 2.41 0.23 0.00 0.00 176.91 177.99 2rkj n THR 164 N -5.58 -0.42 -0.12 -0.77 -1.04 0.02 0.79 114.28 107.16 2rkj n THR 164 Ca -0.13 1.93 -0.13 0.00 -2.04 0.00 0.00 64.05 63.68 2rkj n THR 164 Cb 0.47 -2.57 -0.09 0.00 -1.82 0.00 0.00 70.33 66.32 2rkj n THR 164 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2rkj h LYS 165 N 0.00 -0.36 -0.95 -2.82 1.79 -0.31 -0.49 116.57 113.42 2rkj h LYS 165 Ca 0.31 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.97 2rkj h LYS 165 Cb 0.51 0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.16 2rkj h LYS 165 CO -0.83 -0.24 0.60 0.82 -1.08 0.00 0.00 179.45 178.73 2rkj h ILE 166 N -0.38 0.77 0.00 1.86 2.04 0.50 -2.18 117.51 120.13 2rkj h ILE 166 Ca 0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2rkj h ILE 166 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2rkj h ILE 166 CO -0.54 0.13 0.00 1.57 0.00 0.00 0.00 178.15 179.31 2rkj n HIS 167 N -4.63 0.00 -0.20 1.37 -0.00 -0.21 -1.00 115.22 110.55 2rkj n HIS 167 Ca 0.20 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.55 2rkj n HIS 167 Cb 0.54 0.00 0.32 0.00 -0.12 0.00 0.00 29.99 30.73 2rkj n HIS 167 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2rkj n TYR 168 N -0.71 0.64 0.00 1.57 -0.00 -1.09 -1.87 117.16 115.69 2rkj n TYR 168 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.90 58.63 2rkj n TYR 168 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 39.34 38.22 2rkj n TYR 168 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.86 177.80 2rkj n GLN 169 N -4.48 0.00 -0.08 2.98 7.27 -0.17 -1.99 117.38 120.92 2rkj n GLN 169 Ca 0.21 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.31 2rkj n GLN 169 Cb 0.72 -0.52 0.05 0.00 2.41 0.00 0.00 30.24 32.89 2rkj n GLN 169 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2rkj n LEU 170 N -0.03 -0.05 0.00 1.69 4.77 -0.29 -0.43 117.00 122.66 2rkj n LEU 170 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2rkj n LEU 170 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2rkj n LEU 170 CO 0.00 -0.36 0.21 0.29 -1.33 0.00 0.00 177.39 176.20 2rkj n LYS 171 N -4.19 0.00 -0.24 3.23 5.02 -1.01 0.23 118.16 121.21 2rkj n LYS 171 Ca 0.04 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2rkj n LYS 171 Cb 0.14 -0.92 0.23 0.00 -0.02 0.00 0.00 35.03 34.46 2rkj n LYS 171 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2rkj n LYS 172 N -0.59 -0.05 0.43 1.97 4.81 0.43 0.11 118.16 125.26 2rkj n LYS 172 Ca 0.00 1.02 -0.18 0.00 -0.87 0.00 0.00 58.31 58.28 2rkj n LYS 172 Cb 0.00 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.31 2rkj n LYS 172 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2rkj h LEU 173 N 0.00 -1.12 -0.97 3.14 5.85 -1.03 -2.12 115.31 119.06 2rkj h LEU 173 Ca 0.44 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.40 2rkj h LEU 173 Cb 0.95 0.31 -0.18 0.00 0.37 0.00 0.00 40.66 42.12 2rkj h LEU 173 CO -0.63 -0.71 -0.27 -0.50 -0.34 0.00 0.00 178.44 175.98 2rkj h TRP 174 N -1.15 -0.63 -0.82 1.25 4.06 0.53 0.29 115.95 119.47 2rkj h TRP 174 Ca -0.11 0.09 0.12 0.00 2.06 0.00 0.00 58.89 61.06 2rkj h TRP 174 Cb 0.91 0.43 -0.14 0.00 -1.00 0.00 0.00 29.16 29.36 2rkj h TRP 174 CO -0.05 -0.42 -0.40 1.49 -3.56 0.00 0.00 178.44 175.50 2rkj h GLU 175 N -0.00 -0.08 -0.69 0.49 4.57 -0.46 0.37 114.58 118.78 2rkj h GLU 175 Ca 0.44 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.58 2rkj h GLU 175 Cb 0.69 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 2rkj h GLU 175 CO -1.00 -0.05 0.23 -0.91 -1.18 0.00 0.00 179.01 176.10 2rkj h ASN 176 N -0.08 0.97 0.27 1.04 4.21 -0.10 0.57 115.58 122.46 2rkj h ASN 176 Ca 0.27 -0.16 0.01 0.00 1.21 0.00 0.00 56.30 57.62 2rkj h ASN 176 Cb 0.56 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 2rkj h ASN 176 CO -0.85 0.89 -0.37 0.58 -1.29 0.00 0.00 177.43 176.39 2rkj h VAL 177 N 1.01 0.25 -0.47 2.81 2.07 0.55 1.21 116.25 123.68 2rkj h VAL 177 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 2rkj h VAL 177 Cb 0.26 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 2rkj h VAL 177 CO -0.01 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.87 2rkj h ASP 178 N -0.69 -0.05 0.00 0.57 3.58 -0.25 0.38 116.42 119.95 2rkj h ASP 178 Ca -0.01 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2rkj h ASP 178 Cb 0.66 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2rkj h ASP 178 CO -0.12 0.01 0.00 0.41 -2.88 0.00 0.00 179.24 176.66 2rkj n THR 179 N -5.14 0.00 -0.33 2.25 -1.04 0.20 -1.23 114.28 108.98 2rkj n THR 179 Ca 0.05 1.36 0.21 0.00 -2.04 0.00 0.00 64.05 63.63 2rkj n THR 179 Cb 0.23 -2.11 0.43 0.00 -1.82 0.00 0.00 70.33 67.06 2rkj n THR 179 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2rkj h GLN 180 N 0.00 0.37 0.00 -2.82 1.08 0.15 -0.91 115.11 112.98 2rkj h GLN 180 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2rkj h GLN 180 Cb 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2rkj h GLN 180 CO 0.00 0.24 0.00 -0.12 -0.95 0.00 0.00 178.83 178.00 2rkj n MET 181 N -5.03 0.00 0.27 1.46 1.56 0.10 -0.59 117.12 114.90 2rkj n MET 181 Ca 0.29 0.59 0.11 0.00 -0.27 0.00 0.00 57.70 58.42 2rkj n MET 181 Cb 0.89 -1.10 0.74 0.00 2.15 0.00 0.00 33.22 35.90 2rkj n MET 181 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2rkj h ARG 182 N 0.00 0.00 -0.82 2.12 3.08 -1.32 -0.29 114.38 117.14 2rkj h ARG 182 Ca 0.00 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.27 2rkj h ARG 182 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2rkj h ARG 182 CO 0.00 0.00 0.58 0.00 -1.07 0.00 0.00 179.97 179.48 2rkj h ALA 183 N 2.00 2.57 -2.52 0.04 0.00 0.60 -3.23 119.26 118.72 2rkj h ALA 183 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 2rkj h ALA 183 Cb 0.01 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.42 2rkj h ALA 183 CO -0.00 -0.82 -0.74 2.89 0.00 0.00 0.00 179.25 180.59 2rkj n ARG 184 N -4.37 1.54 -3.89 0.00 1.85 -0.12 -4.93 116.66 106.74 2rkj n ARG 184 Ca 0.17 -4.09 -0.31 0.00 -1.00 0.00 0.00 57.85 52.62 2rkj n ARG 184 Cb 0.80 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 2rkj n ARG 184 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2rkj n GLY 185 N 1.73 -0.48 3.30 2.89 0.00 -1.22 -4.96 105.19 106.45 2rkj n GLY 185 Ca 0.25 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 2rkj n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rkj s TYR 186 N -3.20 3.31 -0.32 1.61 2.02 -1.21 -5.04 117.35 114.51 2rkj s TYR 186 Ca 0.63 -1.35 -0.29 0.00 -0.37 0.00 0.00 57.07 55.69 2rkj s TYR 186 Cb -0.33 -2.87 0.01 0.00 -0.40 0.00 0.00 41.96 38.37 2rkj s TYR 186 CO 0.78 -0.80 1.11 -1.21 -1.57 0.00 0.00 175.55 173.86 2rkj s GLU 187 N 1.47 4.04 0.79 -0.62 2.02 -1.26 -4.26 118.70 120.89 2rkj s GLU 187 Ca 0.03 1.10 -0.16 0.00 0.02 0.00 0.00 54.97 55.96 2rkj s GLU 187 Cb -0.22 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2rkj s GLU 187 CO 0.03 -0.94 0.34 0.00 0.02 0.00 0.00 175.26 174.72 2rkj n ALA 188 N 6.98 -2.22 -3.49 5.21 0.00 -1.26 -5.02 120.51 120.72 2rkj n ALA 188 Ca 0.12 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2rkj n ALA 188 Cb 0.47 -1.75 -0.16 0.00 0.00 0.00 0.00 19.45 18.01 2rkj n ALA 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rkj s ASP 189 N -1.54 1.07 0.20 0.00 3.68 -1.26 -5.04 116.67 113.78 2rkj s ASP 189 Ca 0.61 -0.16 -0.14 0.00 2.13 0.00 0.00 52.55 54.98 2rkj s ASP 189 Cb -0.31 -0.47 0.21 0.00 -1.45 0.00 0.00 42.92 40.91 2rkj s ASP 189 CO 0.63 -0.02 1.63 -0.25 0.13 0.00 0.00 175.17 177.29 2rkj h TRP 190 N 6.97 -0.36 0.00 -5.34 7.01 -1.97 -1.67 115.95 120.60 2rkj h TRP 190 Ca -0.36 0.06 -0.03 0.00 2.11 0.00 0.00 58.89 60.66 2rkj h TRP 190 Cb 1.16 0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 28.47 2rkj h TRP 190 CO 0.49 -0.27 -0.15 0.00 -2.79 0.00 0.00 178.44 175.71 2rkj h ALA 191 N 1.57 1.00 -2.38 2.65 0.00 -1.95 -3.44 119.26 116.71 2rkj h ALA 191 Ca 0.29 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.52 2rkj h ALA 191 Cb 0.45 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 2rkj h ALA 191 CO -0.63 0.19 1.16 0.50 0.00 0.00 0.00 179.25 180.47 2rkj s ARG 192 N -3.58 4.15 -0.01 0.00 3.52 -0.63 -4.75 118.95 117.66 2rkj s ARG 192 Ca 0.01 2.50 -0.07 0.00 -0.13 0.00 0.00 55.73 58.05 2rkj s ARG 192 Cb 0.09 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2rkj s ARG 192 CO 0.62 -0.89 0.14 0.21 -0.81 0.00 0.00 175.30 174.56 2rkj s LYS 193 N 3.85 0.41 0.35 5.12 2.20 -0.75 -4.85 119.74 126.07 2rkj s LYS 193 Ca 0.83 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2rkj s LYS 193 Cb -0.41 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2rkj s LYS 193 CO 0.37 -0.09 0.01 2.89 -0.36 0.00 0.00 175.35 178.17 2rkj n ARG 194 N 1.79 1.16 0.00 4.03 1.85 -1.26 -1.65 116.66 122.58 2rkj n ARG 194 Ca -0.21 -2.50 0.00 0.00 -1.00 0.00 0.00 57.85 54.15 2rkj n ARG 194 Cb 0.56 0.65 0.00 0.00 -1.05 0.00 0.00 32.46 32.62 2rkj n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2rkj n GLY 195 N 0.88 3.55 3.39 2.89 0.00 -1.14 -4.91 105.19 109.85 2rkj n GLY 195 Ca -0.14 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2rkj n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkj s ILE 196 N -2.00 2.36 -0.11 -0.61 1.09 -1.26 -1.91 121.20 118.75 2rkj s ILE 196 Ca 0.00 -1.48 -0.06 0.00 -1.10 0.00 0.00 60.65 58.01 2rkj s ILE 196 Cb 0.00 -1.99 0.05 0.00 -1.06 0.00 0.00 42.46 39.46 2rkj s ILE 196 CO 0.00 0.25 0.26 0.68 -0.10 0.00 0.00 174.94 176.03 2rkj s VAL 197 N -0.94 -0.04 0.34 2.92 -7.23 -0.79 -4.98 120.40 109.69 2rkj s VAL 197 Ca 0.14 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.17 2rkj s VAL 197 Cb -0.10 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.34 2rkj s VAL 197 CO 0.05 0.06 1.12 0.21 -0.31 0.00 0.00 175.10 176.23 2rkj s ASN 198 N 1.24 6.91 0.14 4.85 3.84 -1.26 -0.71 114.94 129.95 2rkj s ASN 198 Ca -0.09 2.28 0.07 0.00 0.21 0.00 0.00 52.86 55.33 2rkj s ASN 198 Cb -0.10 -2.62 -0.16 0.00 -0.55 0.00 0.00 41.25 37.83 2rkj s ASN 198 CO -0.09 -0.39 1.31 -0.55 -2.79 0.00 0.00 177.10 174.59 2rkj h ASN 199 N 3.18 0.00 0.19 -4.21 -1.07 0.01 -2.98 115.58 110.69 2rkj h ASN 199 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 55.86 2rkj h ASN 199 Cb 1.22 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2rkj h ASN 199 CO 0.65 0.96 -0.16 -0.55 0.07 0.00 0.00 177.43 178.39 2rkj h ASN 200 N 0.00 0.00 -0.78 6.14 7.08 -1.88 -2.70 115.58 123.44 2rkj h ASN 200 Ca -0.01 0.00 0.28 0.00 -3.08 0.00 0.00 56.30 53.49 2rkj h ASN 200 Cb 1.71 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.86 2rkj h ASN 200 CO 0.12 0.16 0.49 1.57 -2.08 0.00 0.00 177.43 177.70 2rkj n HIS 201 N -4.25 0.48 -0.03 4.14 -0.00 -1.12 -0.53 115.22 113.90 2rkj n HIS 201 Ca -0.02 0.48 -0.07 0.00 0.46 0.00 0.00 57.72 58.57 2rkj n HIS 201 Cb 0.23 -0.88 -0.02 0.00 -0.12 0.00 0.00 29.99 29.20 2rkj n HIS 201 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 2rkj n TRP 202 N -3.97 0.00 -0.29 1.57 2.14 -1.04 -4.69 117.44 111.16 2rkj n TRP 202 Ca 0.24 0.00 0.32 0.00 2.07 0.00 0.00 57.50 60.13 2rkj n TRP 202 Cb 0.90 -0.24 0.71 0.00 -0.81 0.00 0.00 31.31 31.87 2rkj n TRP 202 CO 0.00 0.00 0.00 -1.49 2.07 0.00 0.00 177.69 178.27 2rkj h TRP 203 N -0.22 0.10 -1.16 -2.67 -0.00 -1.16 -1.31 115.95 109.52 2rkj h TRP 203 Ca -0.17 0.00 0.43 0.00 -0.00 0.00 0.00 58.89 59.16 2rkj h TRP 203 Cb 1.15 -0.03 -0.16 0.00 -0.00 0.00 0.00 29.16 30.13 2rkj h TRP 203 CO -0.02 0.01 0.69 -0.97 -0.00 0.00 0.00 178.44 178.15 2rkj h ASN 204 N 0.06 0.29 0.00 -3.49 -0.73 -1.07 -2.39 115.58 108.25 2rkj h ASN 204 Ca 0.54 0.21 -0.11 0.00 1.87 0.00 0.00 56.30 58.81 2rkj h ASN 204 Cb 2.05 0.20 -0.24 0.00 0.27 0.00 0.00 38.32 40.60 2rkj h ASN 204 CO -0.05 -0.32 -0.83 0.29 -0.37 0.00 0.00 177.43 176.15 2rkj n LYS 205 N -5.00 0.02 -2.08 6.67 5.02 -0.52 -5.09 118.16 117.18 2rkj n LYS 205 Ca 0.38 -1.64 -0.42 0.00 -2.02 0.00 0.00 58.31 54.61 2rkj n LYS 205 Cb 1.37 -0.21 -0.03 0.00 -0.02 0.00 0.00 35.03 36.15 2rkj n LYS 205 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2rkj s GLN 206 N -0.04 4.11 0.13 1.97 2.00 -0.90 -4.94 119.66 121.99 2rkj s GLN 206 Ca 0.21 2.02 -0.31 0.00 -2.00 0.00 0.00 55.36 55.28 2rkj s GLN 206 Cb 0.24 -3.97 -0.11 0.00 0.80 0.00 0.00 33.01 29.98 2rkj s GLN 206 CO -0.10 -0.92 1.84 -2.30 -0.50 0.00 0.00 175.29 173.31 2rkj n PRO 207 N 7.17 2.81 0.35 1.67 -0.02 -1.26 -4.92 135.00 140.80 2rkj n PRO 207 Ca 0.17 1.02 -0.18 0.00 -2.02 0.00 0.00 63.50 62.50 2rkj n PRO 207 Cb 0.43 -2.92 -0.09 0.00 -0.02 0.00 0.00 33.50 30.91 2rkj n PRO 207 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2rkj h MET 208 N 8.52 -0.85 0.00 -0.52 4.05 -2.00 -3.09 114.93 121.04 2rkj h MET 208 Ca -0.46 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 2rkj h MET 208 Cb 1.22 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 2rkj h MET 208 CO 0.95 -0.57 0.00 1.28 0.23 0.00 0.00 176.91 178.80 2rkj n LEU 209 N -5.47 0.00 -0.05 3.39 4.77 -1.26 -1.35 117.00 117.03 2rkj n LEU 209 Ca -0.13 0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 56.71 2rkj n LEU 209 Cb 0.36 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 2rkj n LEU 209 CO 0.37 -0.40 0.50 -0.08 -1.33 0.00 0.00 177.39 176.45 2rkj h GLU 210 N 0.00 -0.02 -0.06 3.23 4.81 -1.98 -1.21 114.58 119.35 2rkj h GLU 210 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2rkj h GLU 210 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2rkj h GLU 210 CO 0.00 -0.01 -0.04 0.28 -0.73 0.00 0.00 179.01 178.51 2rkj n VAL 211 N -3.24 -0.04 -0.32 0.32 0.31 -1.05 0.13 118.33 114.44 2rkj n VAL 211 Ca 0.00 1.26 0.23 0.00 -0.01 0.00 0.00 64.34 65.82 2rkj n VAL 211 Cb 0.04 -1.66 0.43 0.00 -0.91 0.00 0.00 33.84 31.74 2rkj n VAL 211 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2rkj n LEU 212 N -2.97 0.13 -0.05 7.52 4.77 -0.46 -1.24 117.00 124.71 2rkj n LEU 212 Ca 0.00 1.59 -0.07 0.00 -0.03 0.00 0.00 56.01 57.50 2rkj n LEU 212 Cb 0.02 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.35 2rkj n LEU 212 CO -0.01 -1.71 0.20 -0.09 -1.33 0.00 0.00 177.39 174.46 2rkj h ARG 213 N 0.00 -0.02 0.00 3.23 2.43 0.20 0.83 114.38 121.05 2rkj h ARG 213 Ca 0.70 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 2rkj h ARG 213 Cb 1.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2rkj h ARG 213 CO -0.80 0.46 0.00 0.54 -1.51 0.00 0.00 179.97 178.66 2rkj n ARG 214 N -4.72 0.00 0.00 0.20 5.12 0.34 -3.14 116.66 114.47 2rkj n ARG 214 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2rkj n ARG 214 Cb 0.24 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 2rkj n ARG 214 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2rkj n VAL 215 N -0.64 0.00 0.13 1.55 0.24 -1.02 -3.87 118.33 114.72 2rkj n VAL 215 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2rkj n VAL 215 Cb 0.00 0.00 0.43 0.00 -1.47 0.00 0.00 33.84 32.80 2rkj n VAL 215 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2rkj h GLY 216 N 0.00 0.24 2.00 7.63 0.00 0.76 -2.43 103.07 111.27 2rkj h GLY 216 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2rkj h GLY 216 CO 0.00 0.13 0.00 1.42 0.00 0.00 0.00 176.54 178.09 2rkj n HIS 217 N -4.32 0.02 -0.08 5.60 8.25 -1.24 -2.42 115.22 121.02 2rkj n HIS 217 Ca -0.01 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2rkj n HIS 217 Cb 0.23 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.82 2rkj n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rkj n ALA 218 N -1.51 2.20 -3.00 -1.41 0.00 -0.93 -5.01 120.51 110.85 2rkj n ALA 218 Ca 0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 2rkj n ALA 218 Cb 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 2rkj n ALA 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2rkj s LEU 219 N -0.24 3.14 -0.16 0.00 2.01 -1.02 -5.10 118.68 117.32 2rkj s LEU 219 Ca 0.00 -0.18 -0.07 0.00 0.01 0.00 0.00 54.13 53.89 2rkj s LEU 219 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.41 2rkj s LEU 219 CO 0.00 0.16 0.09 -0.13 1.01 0.00 0.00 176.35 177.48 2rkj s ARG 220 N 0.43 3.80 0.00 1.70 1.81 -1.26 -4.93 118.95 120.50 2rkj s ARG 220 Ca -0.05 -0.27 0.13 0.00 -1.72 0.00 0.00 55.73 53.83 2rkj s ARG 220 Cb -0.15 -3.21 0.65 0.00 -0.45 0.00 0.00 34.95 31.80 2rkj s ARG 220 CO 0.03 0.45 1.36 0.44 -0.68 0.00 0.00 175.30 176.90 2rkj n ILE 221 N 3.00 0.71 0.00 1.52 -5.35 -1.26 -3.50 119.36 114.48 2rkj n ILE 221 Ca -0.17 0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2rkj n ILE 221 Cb 0.53 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 2rkj n ILE 221 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rkj n GLY 222 N -0.16 -2.50 0.40 3.28 0.00 -1.26 -1.97 105.19 102.98 2rkj n GLY 222 Ca 0.06 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.29 2rkj n GLY 222 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rkj h PRO 223 N 0.00 0.00 0.00 1.61 0.11 -1.97 0.89 132.00 132.64 2rkj h PRO 223 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2rkj h PRO 223 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2rkj h PRO 223 CO 0.00 0.00 0.00 1.98 -0.21 0.00 0.00 178.00 179.77 2rkj h MET 224 N 0.00 0.00 -0.00 1.05 4.05 -1.62 -1.36 114.93 117.04 2rkj h MET 224 Ca 0.23 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2rkj h MET 224 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2rkj h MET 224 CO -0.00 0.00 -0.43 -0.11 0.23 0.00 0.00 176.91 176.60 2rkj n LEU 225 N -2.96 0.50 0.02 3.39 0.00 0.29 -4.40 117.00 113.84 2rkj n LEU 225 Ca -0.01 -0.52 0.13 0.00 0.00 0.00 0.00 56.01 55.62 2rkj n LEU 225 Cb 0.20 0.00 0.51 0.00 0.00 0.00 0.00 43.42 44.13 2rkj n LEU 225 CO 0.23 0.12 0.84 -1.20 0.00 0.00 0.00 177.39 177.38 2rkj n SER 226 N -1.15 0.22 -4.73 1.96 7.64 -0.12 -4.07 113.62 113.36 2rkj n SER 226 Ca 0.02 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 2rkj n SER 226 Cb 0.15 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 2rkj n SER 226 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2rkj s ARG 227 N -3.02 4.17 0.15 1.43 1.81 -1.04 -4.86 118.95 117.59 2rkj s ARG 227 Ca 0.13 2.50 -0.17 0.00 -1.72 0.00 0.00 55.73 56.46 2rkj s ARG 227 Cb 0.18 -3.09 0.04 0.00 -0.45 0.00 0.00 34.95 31.62 2rkj s ARG 227 CO 0.57 -0.64 1.73 0.22 -0.68 0.00 0.00 175.30 176.50 2rkj h ASP 228 N 6.08 0.01 -0.76 0.23 3.58 -1.94 -1.77 116.42 121.85 2rkj h ASP 228 Ca -0.44 0.05 0.27 0.00 0.42 0.00 0.00 57.03 57.33 2rkj h ASP 228 Cb 1.21 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 42.24 2rkj h ASP 228 CO 0.88 0.04 0.47 0.41 -2.88 0.00 0.00 179.24 178.16 2rkj n THR 229 N -5.09 -0.17 0.00 2.25 -1.04 -1.26 -1.32 114.28 107.64 2rkj n THR 229 Ca 0.00 1.10 0.00 0.00 -2.04 0.00 0.00 64.05 63.11 2rkj n THR 229 Cb 0.13 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 2rkj n THR 229 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2rkj n VAL 230 N -3.98 0.00 -0.20 12.58 0.31 -0.68 -3.32 118.33 123.04 2rkj n VAL 230 Ca 0.23 0.45 0.14 0.00 -0.01 0.00 0.00 64.34 65.15 2rkj n VAL 230 Cb 0.88 -1.36 0.26 0.00 -0.91 0.00 0.00 33.84 32.71 2rkj n VAL 230 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2rkj n LYS 231 N -1.93 -0.04 -0.01 5.55 5.02 -0.44 0.33 118.16 126.64 2rkj n LYS 231 Ca 0.00 0.87 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 2rkj n LYS 231 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 2rkj n LYS 231 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2rkj h ASN 232 N 0.00 -0.00 0.00 4.39 -0.26 -1.53 -0.08 115.58 118.11 2rkj h ASN 232 Ca 0.44 -0.45 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2rkj h ASN 232 Cb 1.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 2rkj h ASN 232 CO -0.52 0.45 0.00 1.17 -1.06 0.00 0.00 177.43 177.48 2rkj n LYS 233 N -4.87 0.11 0.10 0.81 3.00 0.99 -2.03 118.16 116.26 2rkj n LYS 233 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2rkj n LYS 233 Cb 0.24 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.01 2rkj n LYS 233 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2rkj n MET 234 N 0.70 0.00 0.00 1.64 2.81 -1.02 -2.67 117.12 118.58 2rkj n MET 234 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2rkj n MET 234 Cb 0.04 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.55 2rkj n MET 234 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rkj n THR 235 N -3.08 0.00 -1.41 2.03 -1.04 -0.06 -4.58 114.28 106.14 2rkj n THR 235 Ca 0.00 0.79 -0.32 0.00 -2.04 0.00 0.00 64.05 62.48 2rkj n THR 235 Cb 0.00 -1.57 0.08 0.00 -1.82 0.00 0.00 70.33 67.02 2rkj n THR 235 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2rkj s GLN 236 N -1.34 2.37 6.63 -2.82 -1.52 -0.86 -4.76 119.66 117.35 2rkj s GLN 236 Ca 0.00 1.30 0.00 0.00 -1.95 0.00 0.00 55.36 54.71 2rkj s GLN 236 Cb 0.00 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.89 2rkj s GLN 236 CO 0.00 -1.58 0.00 0.41 -0.25 0.00 0.00 175.29 173.87 2rkj n GLY 237 N -0.79 3.22 0.00 3.09 0.00 -1.26 -4.38 105.19 105.06 2rkj n GLY 237 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2rkj n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rkj n ASP 238 N 2.41 0.00 -4.71 1.61 5.75 -1.26 -4.90 116.55 115.45 2rkj n ASP 238 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.49 2rkj n ASP 238 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2rkj n ASP 238 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2rkj s GLY 239 N 0.00 2.62 -0.29 6.12 0.00 -1.25 -3.38 107.32 111.14 2rkj s GLY 239 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2rkj s GLY 239 CO 0.00 -2.08 -0.04 0.54 0.00 0.00 0.00 173.10 171.52 2rkj s VAL 240 N -2.74 2.62 1.13 1.40 0.11 -1.09 -4.80 120.40 117.03 2rkj s VAL 240 Ca 0.27 -1.53 -0.12 0.00 -2.93 0.00 0.00 61.98 57.66 2rkj s VAL 240 Cb 0.05 -2.54 0.26 0.00 -1.53 0.00 0.00 36.38 32.62 2rkj s VAL 240 CO 0.15 -0.10 1.01 -0.24 -3.33 0.00 0.00 175.10 172.59 2rkj n SER 241 N 4.53 -1.36 -0.06 3.54 2.88 -1.26 -4.84 113.62 117.05 2rkj n SER 241 Ca -0.13 -0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.22 2rkj n SER 241 Cb 0.43 -1.29 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 2rkj n SER 241 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2rkj h PHE 242 N -2.52 1.06 0.00 0.66 3.57 -1.99 -2.39 116.94 115.33 2rkj h PHE 242 Ca -0.58 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 60.53 2rkj h PHE 242 Cb 1.32 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2rkj h PHE 242 CO 0.31 1.22 0.00 0.00 -2.23 0.00 0.00 178.31 177.61 2rkj n ALA 243 N -2.57 0.00 -0.54 2.41 0.00 -1.26 -2.18 120.51 116.37 2rkj n ALA 243 Ca -0.05 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.83 2rkj n ALA 243 Cb 0.65 0.07 0.72 0.00 0.00 0.00 0.00 19.45 20.88 2rkj n ALA 243 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2rkj n GLU 244 N -0.48 -0.03 -0.21 0.00 0.28 -1.25 0.26 120.64 119.20 2rkj n GLU 244 Ca 0.00 1.21 0.04 0.00 -0.16 0.00 0.00 57.16 58.25 2rkj n GLU 244 Cb 0.00 -2.48 0.30 0.00 1.43 0.00 0.00 31.44 30.69 2rkj n GLU 244 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2rkj h PHE 245 N 0.00 0.87 0.00 -1.84 -0.00 -1.16 -1.46 116.94 113.35 2rkj h PHE 245 Ca 0.90 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.89 2rkj h PHE 245 Cb 3.10 -0.29 0.00 0.00 -0.00 0.00 0.00 35.95 38.76 2rkj h PHE 245 CO -0.00 0.48 0.00 1.15 -0.00 0.00 0.00 178.31 179.94 2rkj h THR 246 N 0.88 0.00 -0.72 4.41 2.02 0.40 -3.33 112.91 116.57 2rkj h THR 246 Ca 0.32 -0.73 0.16 0.00 0.77 0.00 0.00 66.41 66.93 2rkj h THR 246 Cb 0.14 1.71 -0.12 0.00 -1.74 0.00 0.00 68.15 68.13 2rkj h THR 246 CO -0.10 0.00 0.05 0.22 0.37 0.00 0.00 175.52 176.06 2rkj h TYR 247 N 0.00 0.04 -0.89 3.16 3.20 -1.20 0.13 116.97 121.41 2rkj h TYR 247 Ca 0.00 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.03 2rkj h TYR 247 Cb 0.78 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 2rkj h TYR 247 CO 0.00 -0.18 0.53 -1.00 -1.64 0.00 0.00 178.16 175.86 2rkj h PRO 248 N 0.15 0.83 0.06 1.82 0.13 -1.74 -1.50 132.00 131.75 2rkj h PRO 248 Ca 0.39 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.47 2rkj h PRO 248 Cb 0.68 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2rkj h PRO 248 CO -0.59 0.55 -0.03 0.82 -0.23 0.00 0.00 178.00 178.52 2rkj h ILE 249 N 0.85 1.09 -0.09 -3.56 1.08 -1.06 -2.57 117.51 113.25 2rkj h ILE 249 Ca 0.44 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2rkj h ILE 249 Cb 0.43 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 2rkj h ILE 249 CO -0.26 0.13 -0.13 0.24 -0.69 0.00 0.00 178.15 177.43 2rkj h MET 250 N -0.30 -0.10 -0.31 2.37 2.86 -0.33 0.55 114.93 119.67 2rkj h MET 250 Ca -0.01 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2rkj h MET 250 Cb 0.27 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2rkj h MET 250 CO 0.01 -0.07 0.64 0.37 1.06 0.00 0.00 176.91 178.93 2rkj h GLN 251 N -0.10 0.00 0.01 1.72 5.75 -1.33 1.86 115.11 123.02 2rkj h GLN 251 Ca 0.02 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 2rkj h GLN 251 Cb 0.15 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.70 2rkj h GLN 251 CO -0.14 0.00 -0.37 0.78 -2.65 0.00 0.00 178.83 176.45 2rkj h GLY 252 N 0.00 0.26 0.99 2.39 0.00 0.36 -3.05 103.07 104.02 2rkj h GLY 252 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2rkj h GLY 252 CO -0.00 0.42 -0.01 -0.25 0.00 0.00 0.00 176.54 176.70 2rkj h TRP 253 N -0.43 -0.03 -0.94 5.60 2.91 0.59 -2.27 115.95 121.38 2rkj h TRP 253 Ca -0.05 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.08 2rkj h TRP 253 Cb 1.14 0.01 -0.13 0.00 -0.51 0.00 0.00 29.16 29.67 2rkj h TRP 253 CO 0.18 -0.01 -0.46 -0.25 -1.03 0.00 0.00 178.44 176.87 2rkj n ASP 254 N -5.10 -0.80 -0.13 2.65 9.92 0.45 0.13 116.55 123.68 2rkj n ASP 254 Ca -0.07 1.66 -0.13 0.00 -0.53 0.00 0.00 54.79 55.71 2rkj n ASP 254 Cb 0.05 -0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.14 2rkj n ASP 254 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2rkj h TRP 255 N 0.00 -1.58 -0.99 1.24 2.91 -1.31 0.58 115.95 116.80 2rkj h TRP 255 Ca 0.24 0.08 0.13 0.00 1.13 0.00 0.00 58.89 60.47 2rkj h TRP 255 Cb 0.48 0.74 -0.15 0.00 -0.51 0.00 0.00 29.16 29.72 2rkj h TRP 255 CO -0.89 -0.45 -0.45 0.35 -1.03 0.00 0.00 178.44 175.96 2rkj h PHE 256 N -0.37 -1.33 -0.05 2.65 3.57 0.23 0.23 116.94 121.87 2rkj h PHE 256 Ca 0.07 0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2rkj h PHE 256 Cb 0.55 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2rkj h PHE 256 CO -0.72 -0.40 -0.05 0.93 -2.23 0.00 0.00 178.31 175.84 2rkj h GLU 257 N -0.01 -0.03 -1.02 1.11 4.39 0.83 0.11 114.58 119.97 2rkj h GLU 257 Ca 0.29 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.30 2rkj h GLU 257 Cb 0.54 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.06 2rkj h GLU 257 CO -0.97 -0.02 0.59 -0.07 -1.16 0.00 0.00 179.01 177.39 2rkj h LEU 258 N -0.03 0.54 -1.32 1.33 3.38 0.22 1.24 115.31 120.66 2rkj h LEU 258 Ca 0.01 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2rkj h LEU 258 Cb 0.05 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2rkj h LEU 258 CO -0.06 -0.08 -0.23 0.15 0.09 0.00 0.00 178.44 178.31 2rkj h PHE 259 N 0.37 0.17 0.00 1.13 3.04 0.12 -1.94 116.94 119.84 2rkj h PHE 259 Ca 0.71 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.57 2rkj h PHE 259 Cb 1.61 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.06 2rkj h PHE 259 CO -0.01 0.39 -0.42 -0.92 -2.02 0.00 0.00 178.31 175.33 2rkj h TYR 260 N 0.15 0.00 0.00 0.41 3.20 0.37 -2.57 116.97 118.52 2rkj h TYR 260 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2rkj h TYR 260 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2rkj h TYR 260 CO 0.01 0.89 0.00 1.04 -1.64 0.00 0.00 178.16 178.46 2rkj n GLN 261 N -4.58 0.67 0.00 1.82 6.02 0.16 -4.43 117.38 117.04 2rkj n GLN 261 Ca -0.15 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 2rkj n GLN 261 Cb 0.44 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2rkj n GLN 261 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2rkj n GLN 262 N -1.10 0.83 -0.48 -1.09 1.13 -0.78 -5.03 117.38 110.87 2rkj n GLN 262 Ca 0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2rkj n GLN 262 Cb 0.13 -0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.41 2rkj n GLN 262 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rkj n GLY 263 N 0.00 1.29 3.55 1.08 0.00 -0.91 -4.90 105.19 105.30 2rkj n GLY 263 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2rkj n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkj s VAL 264 N -2.12 4.82 -0.35 1.61 1.01 -0.95 -2.20 120.40 122.22 2rkj s VAL 264 Ca 0.00 0.42 0.09 0.00 0.00 0.00 0.00 61.98 62.49 2rkj s VAL 264 Cb 0.00 -4.17 0.45 0.00 0.00 0.00 0.00 36.38 32.66 2rkj s VAL 264 CO 0.00 -0.49 1.12 0.00 0.00 0.00 0.00 175.10 175.74 2rkj n GLN 265 N 6.26 3.06 -3.58 2.72 10.64 0.04 -2.96 117.38 133.56 2rkj n GLN 265 Ca -0.00 -4.13 -0.01 0.00 -1.83 0.00 0.00 57.00 51.02 2rkj n GLN 265 Cb 0.48 -2.08 -0.06 0.00 -0.86 0.00 0.00 30.24 27.72 2rkj n GLN 265 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2rkj s MET 266 N -3.55 0.35 0.09 2.61 0.00 -1.13 -1.98 119.30 115.68 2rkj s MET 266 Ca 0.45 0.66 0.03 0.00 0.00 0.00 0.00 55.69 56.83 2rkj s MET 266 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 34.83 35.36 2rkj s MET 266 CO -0.06 -0.08 0.07 -1.14 0.00 0.00 0.00 175.02 173.81 2rkj s GLN 267 N 1.62 2.83 -0.25 4.11 0.74 -1.11 -2.52 119.66 125.07 2rkj s GLN 267 Ca -0.07 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.59 2rkj s GLN 267 Cb -0.04 -2.69 0.08 0.00 1.10 0.00 0.00 33.01 31.45 2rkj s GLN 267 CO -0.15 0.56 0.04 0.42 -0.55 0.00 0.00 175.29 175.61 2rkj s ILE 268 N -1.40 0.86 0.44 -2.34 1.01 -0.84 -1.49 121.20 117.43 2rkj s ILE 268 Ca 0.29 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2rkj s ILE 268 Cb -0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2rkj s ILE 268 CO 0.21 -0.38 0.04 -0.83 0.00 0.00 0.00 174.94 173.99 2rkj s GLY 269 N 1.67 2.67 0.90 6.18 0.00 -1.14 -4.35 107.32 113.26 2rkj s GLY 269 Ca 0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 2rkj s GLY 269 CO -0.15 -2.03 0.82 0.61 0.00 0.00 0.00 173.10 172.35 2rkj n GLY 270 N -1.03 -1.05 0.41 0.20 0.00 -1.26 -2.77 105.19 99.69 2rkj n GLY 270 Ca -0.10 -0.67 0.23 0.00 0.00 0.00 0.00 46.02 45.48 2rkj n GLY 270 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rkj h SER 271 N -1.48 0.04 0.20 1.61 4.64 -1.75 -0.83 113.55 115.97 2rkj h SER 271 Ca -0.44 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.53 2rkj h SER 271 Cb 1.29 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2rkj h SER 271 CO 0.39 0.02 -1.87 -2.24 -0.87 0.00 0.00 176.83 172.26 2rkj h ASP 272 N 0.04 0.45 0.00 4.97 2.03 -1.88 -3.34 116.42 118.70 2rkj h ASP 272 Ca 0.33 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2rkj h ASP 272 Cb 1.27 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2rkj h ASP 272 CO -0.02 1.75 0.00 0.00 -1.03 0.00 0.00 179.24 179.94 2rkj n GLN 273 N -3.49 0.00 -0.02 4.15 1.13 -0.32 -3.36 117.38 115.48 2rkj n GLN 273 Ca -0.28 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.68 2rkj n GLN 273 Cb 1.06 -1.26 -0.07 0.00 0.11 0.00 0.00 30.24 30.08 2rkj n GLN 273 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2rkj h TYR 274 N 0.00 -1.13 -0.85 1.08 3.20 -1.68 -0.58 116.97 117.01 2rkj h TYR 274 Ca 0.00 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.04 2rkj h TYR 274 Cb 0.00 0.51 -0.14 0.00 1.54 0.00 0.00 36.73 38.64 2rkj h TYR 274 CO 0.00 -0.37 -0.42 0.78 -1.64 0.00 0.00 178.16 176.51 2rkj h GLY 275 N -0.39 -0.18 0.17 1.82 0.00 -1.90 1.15 103.07 103.73 2rkj h GLY 275 Ca 0.02 0.55 0.17 0.00 0.00 0.00 0.00 47.33 48.08 2rkj h GLY 275 CO -0.31 -0.16 0.53 3.43 0.00 0.00 0.00 176.54 180.03 2rkj h ASN 276 N -0.07 0.67 -0.30 0.19 -0.26 -1.66 0.69 115.58 114.84 2rkj h ASN 276 Ca 0.27 0.10 0.06 0.00 -0.56 0.00 0.00 56.30 56.17 2rkj h ASN 276 Cb 0.56 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2rkj h ASN 276 CO -0.88 0.25 0.21 0.40 -1.06 0.00 0.00 177.43 176.36 2rkj h ILE 277 N 0.71 0.92 0.00 2.81 2.04 0.29 0.47 117.51 124.74 2rkj h ILE 277 Ca 0.53 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.34 2rkj h ILE 277 Cb 0.78 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2rkj h ILE 277 CO -0.38 0.02 -0.03 0.40 0.00 0.00 0.00 178.15 178.17 2rkj h ILE 278 N 0.14 0.00 -1.05 -0.67 1.08 0.12 -2.70 117.51 114.43 2rkj h ILE 278 Ca 0.14 -0.81 0.29 0.00 -0.39 0.00 0.00 64.86 64.09 2rkj h ILE 278 Cb 0.37 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 2rkj h ILE 278 CO -0.02 0.00 0.73 0.28 -0.69 0.00 0.00 178.15 178.45 2rkj h SER 279 N -0.81 0.14 0.48 1.72 0.02 -0.84 -1.19 113.55 113.07 2rkj h SER 279 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2rkj h SER 279 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2rkj h SER 279 CO 0.00 0.03 -0.23 1.23 -1.14 0.00 0.00 176.83 176.72 2rkj h GLY 280 N 0.13 -0.67 -1.36 -3.77 0.00 -0.16 -3.10 103.07 94.14 2rkj h GLY 280 Ca 0.53 0.25 0.48 0.00 0.00 0.00 0.00 47.33 48.58 2rkj h GLY 280 CO -0.09 -0.24 0.89 1.41 0.00 0.00 0.00 176.54 178.50 2rkj h LEU 281 N -0.95 0.20 0.54 3.11 3.38 -0.88 0.27 115.31 120.98 2rkj h LEU 281 Ca -0.07 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2rkj h LEU 281 Cb 0.49 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2rkj h LEU 281 CO 0.11 -0.26 -0.50 -0.33 0.09 0.00 0.00 178.44 177.56 2rkj h GLU 282 N 0.01 -0.99 -0.94 1.13 5.08 -1.38 -1.71 114.58 115.79 2rkj h GLU 282 Ca 0.88 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 59.46 2rkj h GLU 282 Cb 2.83 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 32.23 2rkj h GLU 282 CO -0.46 -0.66 0.60 0.28 -1.00 0.00 0.00 179.01 177.77 2rkj h VAL 283 N -1.03 0.81 -0.05 3.13 2.07 -0.49 -2.32 116.25 118.38 2rkj h VAL 283 Ca -0.07 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2rkj h VAL 283 Cb 0.88 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2rkj h VAL 283 CO -0.04 0.14 -0.23 0.58 0.02 0.00 0.00 177.57 178.04 2rkj h VAL 284 N 0.75 0.45 0.00 2.57 2.07 -0.78 -2.06 116.25 119.26 2rkj h VAL 284 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 2rkj h VAL 284 Cb 0.75 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2rkj h VAL 284 CO -0.25 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.51 2rkj n LYS 285 N -5.36 0.00 -0.65 1.57 3.00 -0.72 -2.31 118.16 113.70 2rkj n LYS 285 Ca -0.04 0.51 0.50 0.00 -0.00 0.00 0.00 58.31 59.28 2rkj n LYS 285 Cb 0.27 -1.44 0.79 0.00 0.00 0.00 0.00 35.03 34.65 2rkj n LYS 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rkj h ALA 286 N -1.87 3.58 0.70 3.14 0.00 -1.56 0.28 119.26 123.53 2rkj h ALA 286 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rkj h ALA 286 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rkj h ALA 286 CO 0.00 -2.19 -0.34 0.00 0.00 0.00 0.00 179.25 176.72 2rkj h ALA 287 N 1.18 -0.97 0.00 0.00 0.00 -1.11 0.26 119.26 118.63 2rkj h ALA 287 Ca 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2rkj h ALA 287 Cb 3.53 0.36 0.00 0.00 0.00 0.00 0.00 17.79 21.68 2rkj h ALA 287 CO -0.15 -0.90 0.31 0.00 0.00 0.00 0.00 179.25 178.51 2rkj h ARG 288 N -1.21 0.00 0.00 0.00 3.08 -0.04 -1.25 114.38 114.96 2rkj h ARG 288 Ca -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2rkj h ARG 288 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2rkj h ARG 288 CO 0.16 0.00 -0.83 0.93 -1.07 0.00 0.00 179.97 179.16 2rkj h GLU 289 N 0.00 0.00 -1.03 0.04 4.39 -1.27 -3.32 114.58 113.39 2rkj h GLU 289 Ca 0.00 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 2rkj h GLU 289 Cb 0.63 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 2rkj h GLU 289 CO 0.00 0.66 0.72 0.66 -1.16 0.00 0.00 179.01 179.89 2rkj h SER 290 N -1.00 0.11 -0.21 1.42 4.64 0.70 -3.43 113.55 115.79 2rkj h SER 290 Ca -0.19 0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.63 2rkj h SER 290 Cb 0.97 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2rkj h SER 290 CO -0.12 0.03 0.72 1.21 -0.87 0.00 0.00 176.83 177.80 2rkj n GLU 291 N -4.32 0.00 0.03 4.77 4.07 -0.90 -4.84 120.64 119.45 2rkj n GLU 291 Ca 0.22 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.31 2rkj n GLU 291 Cb 1.03 -0.97 -0.01 0.00 -0.06 0.00 0.00 31.44 31.44 2rkj n GLU 291 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2rkj h PRO 292 N 4.96 -0.08 -6.29 5.31 0.13 -1.93 -3.42 132.00 130.66 2rkj h PRO 292 Ca -0.14 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.46 2rkj h PRO 292 Cb 0.90 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.06 2rkj h PRO 292 CO 0.68 -0.06 1.25 0.34 -0.23 0.00 0.00 178.00 179.98 2rkj s ASP 293 N -2.18 6.34 0.08 1.44 3.68 -1.26 -4.90 116.67 119.86 2rkj s ASP 293 Ca -0.01 2.48 -0.35 0.00 2.13 0.00 0.00 52.55 56.79 2rkj s ASP 293 Cb 0.00 -2.53 -0.18 0.00 -1.45 0.00 0.00 42.92 38.77 2rkj s ASP 293 CO 0.04 -1.17 1.54 1.55 0.13 0.00 0.00 175.17 177.26 2rkj h PRO 294 N 11.08 -1.02 -0.75 4.34 0.13 -2.00 -2.52 132.00 141.27 2rkj h PRO 294 Ca -0.47 0.07 0.26 0.00 -0.87 0.00 0.00 66.00 65.00 2rkj h PRO 294 Cb 1.23 0.23 -0.14 0.00 0.13 0.00 0.00 31.00 32.45 2rkj h PRO 294 CO 0.95 -0.68 0.22 1.04 -0.23 0.00 0.00 178.00 179.30 2rkj n GLN 295 N -5.47 -0.05 -0.05 0.86 6.02 -1.26 0.23 117.38 117.66 2rkj n GLN 295 Ca -0.13 1.08 -0.13 0.00 -0.01 0.00 0.00 57.00 57.81 2rkj n GLN 295 Cb 0.47 -1.82 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 2rkj n GLN 295 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2rkj h GLU 296 N 0.00 0.37 -1.15 -1.09 4.39 -1.86 -2.58 114.58 112.65 2rkj h GLU 296 Ca 0.55 -0.20 0.35 0.00 0.34 0.00 0.00 59.36 60.40 2rkj h GLU 296 Cb 1.34 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.88 2rkj h GLU 296 CO -0.64 0.77 0.73 0.00 -1.16 0.00 0.00 179.01 178.71 2rkj h ARG 297 N -0.01 0.24 0.00 2.33 3.08 0.33 0.73 114.38 121.07 2rkj h ARG 297 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2rkj h ARG 297 Cb 0.71 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2rkj h ARG 297 CO 0.04 0.16 0.48 -0.22 -1.07 0.00 0.00 179.97 179.36 2rkj h LYS 298 N 0.25 0.00 0.00 0.04 3.64 -0.75 0.22 116.57 119.96 2rkj h LYS 298 Ca 0.72 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.09 2rkj h LYS 298 Cb 2.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.82 2rkj h LYS 298 CO -0.40 0.00 -0.42 0.66 -2.27 0.00 0.00 179.45 177.01 2rkj n TYR 299 N -2.43 0.00 0.33 1.91 4.02 0.24 -4.78 117.16 116.46 2rkj n TYR 299 Ca -0.01 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.09 2rkj n TYR 299 Cb 0.51 -0.03 1.11 0.00 -0.02 0.00 0.00 39.34 40.91 2rkj n TYR 299 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2rkj h VAL 300 N -0.04 0.08 -3.16 -0.72 -1.51 -0.98 -3.43 116.25 106.49 2rkj h VAL 300 Ca -0.01 -0.08 -0.59 0.00 -1.23 0.00 0.00 66.70 64.79 2rkj h VAL 300 Cb 0.41 1.07 -0.05 0.00 -2.13 0.00 0.00 31.29 30.59 2rkj h VAL 300 CO -0.01 0.01 -0.10 -0.89 -1.23 0.00 0.00 177.57 175.35 2rkj s THR 301 N -4.15 4.86 -0.59 7.19 2.01 0.76 -4.57 115.64 121.14 2rkj s THR 301 Ca -0.04 1.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 2rkj s THR 301 Cb 0.13 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 2rkj s THR 301 CO 0.45 0.56 2.38 -2.84 -0.69 0.00 0.00 174.62 174.48 2rkj s PRO 302 N -1.05 1.97 0.00 4.92 0.02 -1.26 -4.87 135.00 134.73 2rkj s PRO 302 Ca 0.27 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.36 2rkj s PRO 302 Cb -0.18 -4.65 0.00 0.00 0.02 0.00 0.00 34.50 29.69 2rkj s PRO 302 CO 0.17 -3.62 0.00 1.63 -0.33 0.00 0.00 177.00 174.85 2rkj n LYS 303 N 8.96 0.00 -1.90 5.54 5.02 -1.26 -4.98 118.16 129.54 2rkj n LYS 303 Ca 0.39 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 2rkj n LYS 303 Cb 0.51 -0.24 0.20 0.00 -0.02 0.00 0.00 35.03 35.48 2rkj n LYS 303 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2rkj n THR 304 N -0.25 0.00 0.40 -0.18 5.66 -1.26 -4.94 114.28 113.72 2rkj n THR 304 Ca 0.00 -0.99 0.13 0.00 -3.05 0.00 0.00 64.05 60.14 2rkj n THR 304 Cb 0.00 -1.50 0.50 0.00 -1.55 0.00 0.00 70.33 67.79 2rkj n THR 304 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rkj h ALA 305 N -1.76 1.00 -0.22 1.79 0.00 -2.03 -3.03 119.26 115.02 2rkj h ALA 305 Ca -0.42 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2rkj h ALA 305 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2rkj h ALA 305 CO 0.30 0.00 -0.40 -0.07 0.00 0.00 0.00 179.25 179.08 2rkj h LEU 306 N 0.00 0.53 -3.08 0.00 4.07 -2.00 -3.20 115.31 111.63 2rkj h LEU 306 Ca 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2rkj h LEU 306 Cb 0.42 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2rkj h LEU 306 CO 0.00 0.87 0.00 0.47 -1.08 0.00 0.00 178.44 178.70 2rkj n ASP 307 N -4.03 4.19 -4.62 -0.43 10.43 -1.15 -4.81 116.55 116.14 2rkj n ASP 307 Ca -0.02 -2.10 -0.38 0.00 2.57 0.00 0.00 54.79 54.86 2rkj n ASP 307 Cb 0.51 -0.88 -0.10 0.00 1.84 0.00 0.00 41.12 42.49 2rkj n ASP 307 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2rkj s GLU 308 N 0.35 4.02 -0.36 -1.24 0.41 -1.21 -4.73 118.70 115.93 2rkj s GLU 308 Ca 0.00 -0.17 -0.19 0.00 -0.41 0.00 0.00 54.97 54.21 2rkj s GLU 308 Cb 0.00 -3.62 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 2rkj s GLU 308 CO 0.00 -0.13 0.55 0.00 -0.49 0.00 0.00 175.26 175.19 2rkj s VAL 310 N 2.50 3.99 -0.01 0.00 -7.23 -0.84 -4.89 120.40 113.92 2rkj s VAL 310 Ca 0.20 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2rkj s VAL 310 Cb -0.15 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2rkj s VAL 310 CO 0.14 -0.28 0.05 -0.83 -0.31 0.00 0.00 175.10 173.87 2rkj s GLY 311 N -3.52 0.01 0.13 2.32 0.00 -1.12 -2.75 107.32 102.40 2rkj s GLY 311 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 44.72 45.10 2rkj s GLY 311 CO 0.22 -0.02 -0.11 -0.11 0.00 0.00 0.00 173.10 173.08 2rkj s PHE 312 N -0.32 1.26 -0.07 1.90 -0.12 -0.55 -1.12 117.98 118.96 2rkj s PHE 312 Ca -0.04 -0.69 0.05 0.00 -0.05 0.00 0.00 56.93 56.20 2rkj s PHE 312 Cb -0.02 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.70 2rkj s PHE 312 CO 0.00 0.09 -0.23 -0.08 -0.05 0.00 0.00 175.22 174.95 2rkj s THR 313 N -2.91 2.25 0.97 -4.49 -1.32 -1.00 -2.88 115.64 106.26 2rkj s THR 313 Ca 0.13 -0.99 -0.12 0.00 -1.21 0.00 0.00 61.69 59.50 2rkj s THR 313 Cb -0.00 -1.84 0.17 0.00 -1.51 0.00 0.00 72.50 69.32 2rkj s THR 313 CO 0.01 0.57 1.09 0.68 -2.21 0.00 0.00 174.62 174.75 2rkj s VAL 314 N -0.10 2.32 0.97 5.08 -7.23 -1.11 -1.32 120.40 119.01 2rkj s VAL 314 Ca -0.05 0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 60.09 2rkj s VAL 314 Cb -0.14 -2.52 0.17 0.00 0.56 0.00 0.00 36.38 34.45 2rkj s VAL 314 CO 0.04 -0.14 1.15 -2.16 -0.31 0.00 0.00 175.10 173.69 2rkj s PRO 315 N -4.88 0.65 -0.60 4.82 0.04 -1.22 -3.32 135.00 130.49 2rkj s PRO 315 Ca 0.65 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.64 2rkj s PRO 315 Cb -0.19 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.63 2rkj s PRO 315 CO 0.58 -2.50 0.81 -1.17 0.04 0.00 0.00 177.00 174.76 2rkj s LEU 316 N -6.18 4.84 -0.31 -3.56 2.96 -1.26 -4.35 118.68 110.82 2rkj s LEU 316 Ca 0.66 -1.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 2rkj s LEU 316 Cb -0.13 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2rkj s LEU 316 CO 0.54 -1.22 0.22 -0.22 -1.32 0.00 0.00 176.35 174.35 2rkj s LEU 317 N 3.30 4.26 0.05 -0.68 2.96 -1.26 -5.06 118.68 122.25 2rkj s LEU 317 Ca 0.18 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 2rkj s LEU 317 Cb -0.20 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 2rkj s LEU 317 CO 0.10 -0.14 -0.14 0.42 -1.32 0.00 0.00 176.35 175.27 2rkj s THR 318 N 1.75 1.07 1.05 3.68 -4.23 -1.26 -1.42 115.64 116.27 2rkj s THR 318 Ca 0.07 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 2rkj s THR 318 Cb -0.17 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 72.89 2rkj s THR 318 CO 0.11 -0.08 1.07 1.51 -0.54 0.00 0.00 174.62 176.69 2rkj s ASP 319 N -1.32 2.08 0.00 3.99 1.47 -0.82 -4.72 116.67 117.34 2rkj s ASP 319 Ca -0.00 1.46 0.01 0.00 1.18 0.00 0.00 52.55 55.20 2rkj s ASP 319 Cb -0.08 -2.16 0.04 0.00 -0.34 0.00 0.00 42.92 40.38 2rkj s ASP 319 CO 0.01 -3.51 0.23 -1.20 0.68 0.00 0.00 175.17 171.38 2rkj n SER 320 N -4.45 0.00 -1.82 2.11 7.64 -1.26 -2.34 113.62 113.49 2rkj n SER 320 Ca 0.05 -0.13 0.07 0.00 1.01 0.00 0.00 58.87 59.87 2rkj n SER 320 Cb 0.55 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.14 2rkj n SER 320 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2rkj n SER 321 N -0.64 5.49 -1.20 6.43 2.88 -1.26 -4.92 113.62 120.40 2rkj n SER 321 Ca 0.00 -2.87 -0.11 0.00 -1.33 0.00 0.00 58.87 54.56 2rkj n SER 321 Cb 0.00 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 62.74 2rkj n SER 321 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rkj n GLY 322 N 0.61 1.04 3.13 0.46 0.00 -0.99 -4.91 105.19 104.54 2rkj n GLY 322 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2rkj n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkj s ALA 323 N -1.88 1.48 0.28 4.61 0.00 -1.26 -5.02 121.76 119.97 2rkj s ALA 323 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 2rkj s ALA 323 Cb 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 23.12 22.52 2rkj s ALA 323 CO 0.00 0.29 0.19 1.63 0.00 0.00 0.00 175.76 177.87 2rkj n LYS 324 N 3.04 0.00 0.00 0.00 4.76 -1.26 -1.95 118.16 122.75 2rkj n LYS 324 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2rkj n LYS 324 Cb 0.53 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 2rkj n LYS 324 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2rkj n PHE 325 N -0.57 0.00 0.00 2.13 -0.00 -0.51 -2.89 117.46 115.62 2rkj n PHE 325 Ca 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 2rkj n PHE 325 Cb 0.29 -0.08 0.00 0.00 -0.00 0.00 0.00 39.48 39.69 2rkj n PHE 325 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rkj n GLY 326 N 0.29 0.16 2.02 7.13 0.00 -1.26 -4.52 105.19 109.01 2rkj n GLY 326 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2rkj n GLY 326 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rkj n LYS 327 N -0.15 2.53 -2.73 1.61 4.76 -1.14 -2.34 118.16 120.70 2rkj n LYS 327 Ca 0.00 -3.32 -0.17 0.00 -2.87 0.00 0.00 58.31 51.95 2rkj n LYS 327 Cb 0.00 -2.16 0.05 0.00 -1.84 0.00 0.00 35.03 31.08 2rkj n LYS 327 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2rkj n SER 328 N -1.00 1.83 0.00 4.39 2.88 -1.21 -4.65 113.62 115.87 2rkj n SER 328 Ca 0.53 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 2rkj n SER 328 Cb 1.06 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2rkj n SER 328 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rkj n ALA 329 N -2.39 0.00 0.44 -1.46 0.00 -1.26 -2.21 120.51 113.63 2rkj n ALA 329 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2rkj n ALA 329 Cb 0.49 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.29 2rkj n ALA 329 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2rkj h GLY 330 N 0.00 0.00 0.00 0.00 0.00 -2.02 -3.45 103.07 97.61 2rkj h GLY 330 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rkj h GLY 330 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2rkj n ASN 331 N -2.61 -0.38 -1.21 0.19 5.15 -1.22 -5.18 115.26 110.00 2rkj n ASN 331 Ca 0.04 0.09 -0.02 0.00 -0.60 0.00 0.00 54.58 54.09 2rkj n ASN 331 Cb 0.44 0.77 -0.01 0.00 -0.53 0.00 0.00 39.78 40.45 2rkj n ASN 331 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rkj n ALA 332 N -2.51 0.04 -3.69 5.20 0.00 -0.94 -3.34 120.51 115.28 2rkj n ALA 332 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 2rkj n ALA 332 Cb 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.45 2rkj n ALA 332 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2rkj s ILE 333 N -2.24 0.69 0.22 0.00 1.09 -0.99 -4.64 121.20 115.34 2rkj s ILE 333 Ca 0.04 -1.34 0.03 0.00 -1.10 0.00 0.00 60.65 58.27 2rkj s ILE 333 Cb 0.00 -1.53 0.04 0.00 -1.06 0.00 0.00 42.46 39.91 2rkj s ILE 333 CO 0.03 -0.71 0.30 0.79 -0.10 0.00 0.00 174.94 175.24 2rkj n TRP 334 N 4.83 -2.82 -0.11 3.97 7.02 -1.26 -1.12 117.44 127.95 2rkj n TRP 334 Ca -0.02 -0.74 -0.15 0.00 -1.02 0.00 0.00 57.50 55.57 2rkj n TRP 334 Cb 0.41 -0.21 -0.12 0.00 -2.42 0.00 0.00 31.31 28.98 2rkj n TRP 334 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2rkj n LEU 335 N 0.00 2.36 -4.39 -0.99 4.77 -1.11 -4.66 117.00 112.98 2rkj n LEU 335 Ca 0.06 -0.10 -0.50 0.00 -0.03 0.00 0.00 56.01 55.43 2rkj n LEU 335 Cb 0.21 -0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 2rkj n LEU 335 CO 0.14 0.81 1.91 -0.67 -1.33 0.00 0.00 177.39 178.25 2rkj n ASP 336 N -3.08 1.09 -0.17 -1.43 4.64 -1.26 -4.81 116.55 111.52 2rkj n ASP 336 Ca -0.39 0.38 -0.01 0.00 -1.38 0.00 0.00 54.79 53.38 2rkj n ASP 336 Cb 0.98 -1.05 0.07 0.00 -1.04 0.00 0.00 41.12 40.07 2rkj n ASP 336 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2rkj h PRO 337 N 11.53 0.09 -1.23 -0.67 0.13 -1.92 0.30 132.00 140.22 2rkj h PRO 337 Ca -0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2rkj h PRO 337 Cb 1.35 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2rkj h PRO 337 CO 1.16 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 179.65 2rkj n TYR 338 N -5.27 0.00 -1.23 1.56 4.02 -1.26 -2.28 117.16 112.70 2rkj n TYR 338 Ca 0.06 -0.59 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 2rkj n TYR 338 Cb 0.30 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2rkj n TYR 338 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2rkj n GLN 339 N 0.73 0.00 -2.94 -0.72 7.27 0.88 -5.02 117.38 117.58 2rkj n GLN 339 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 2rkj n GLN 339 Cb 0.49 -0.14 0.00 0.00 2.41 0.00 0.00 30.24 33.00 2rkj n GLN 339 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rkj s THR 340 N 0.00 -0.55 0.08 1.69 2.01 -0.25 -4.77 115.64 113.85 2rkj s THR 340 Ca 0.00 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.75 2rkj s THR 340 Cb 0.00 0.00 -0.12 0.00 0.01 0.00 0.00 72.50 72.39 2rkj s THR 340 CO 0.00 0.00 0.47 -0.24 -0.69 0.00 0.00 174.62 174.16 2rkj n SER 341 N 3.91 -0.48 -0.18 3.53 2.88 -1.22 -4.46 113.62 117.60 2rkj n SER 341 Ca 0.08 0.73 -0.01 0.00 -1.33 0.00 0.00 58.87 58.34 2rkj n SER 341 Cb 0.61 -0.60 0.09 0.00 -0.75 0.00 0.00 64.21 63.56 2rkj n SER 341 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2rkj h VAL 342 N 1.14 0.70 -0.02 2.46 -1.51 -1.95 0.51 116.25 117.57 2rkj h VAL 342 Ca -0.24 -0.09 0.03 0.00 -1.23 0.00 0.00 66.70 65.17 2rkj h VAL 342 Cb 0.91 0.40 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 2rkj h VAL 342 CO 0.38 0.05 -0.19 0.15 -1.23 0.00 0.00 177.57 176.73 2rkj h PHE 343 N 0.27 -0.50 -0.59 5.19 3.57 -1.92 0.52 116.94 123.48 2rkj h PHE 343 Ca 0.29 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2rkj h PHE 343 Cb 0.40 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 2rkj h PHE 343 CO -0.23 -0.27 0.30 -0.44 -2.23 0.00 0.00 178.31 175.44 2rkj h ASP 344 N -0.30 0.42 0.06 0.41 3.45 -1.53 -0.44 116.42 118.48 2rkj h ASP 344 Ca 0.06 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 2rkj h ASP 344 Cb 0.38 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 2rkj h ASP 344 CO -0.19 0.27 -0.04 0.15 -1.57 0.00 0.00 179.24 177.86 2rkj h PHE 345 N 0.56 -0.10 -0.53 4.55 3.57 0.99 -2.41 116.94 123.57 2rkj h PHE 345 Ca 0.27 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.87 2rkj h PHE 345 Cb 0.20 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.89 2rkj h PHE 345 CO -0.10 -0.05 -0.16 0.98 -2.23 0.00 0.00 178.31 176.74 2rkj n TYR 346 N -2.40 0.12 -0.02 0.41 9.36 0.17 0.14 117.16 124.95 2rkj n TYR 346 Ca -0.01 0.65 -0.10 0.00 3.32 0.00 0.00 57.90 61.76 2rkj n TYR 346 Cb 0.04 -0.77 -0.04 0.00 -0.63 0.00 0.00 39.34 37.94 2rkj n TYR 346 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2rkj h GLY 347 N 0.00 -0.43 -0.75 2.98 0.00 -0.70 -1.41 103.07 102.76 2rkj h GLY 347 Ca 0.23 0.41 0.22 0.00 0.00 0.00 0.00 47.33 48.18 2rkj h GLY 347 CO -0.54 -0.22 0.99 2.98 0.00 0.00 0.00 176.54 179.76 2rkj n TYR 348 N -5.41 0.00 -0.07 5.60 -0.00 0.38 -1.42 117.16 116.25 2rkj n TYR 348 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.79 2rkj n TYR 348 Cb 0.33 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.34 39.46 2rkj n TYR 348 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2rkj n PHE 349 N -2.81 0.00 -0.31 2.98 3.01 -0.58 -4.50 117.46 115.25 2rkj n PHE 349 Ca 0.17 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.95 2rkj n PHE 349 Cb 1.22 -0.43 0.49 0.00 -0.01 0.00 0.00 39.48 40.75 2rkj n PHE 349 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 2rkj n VAL 350 N -4.25 0.00 -3.96 -4.37 3.14 -0.50 -3.03 118.33 105.36 2rkj n VAL 350 Ca -0.14 1.21 -0.33 0.00 -2.96 0.00 0.00 64.34 62.13 2rkj n VAL 350 Cb 0.45 -2.13 -0.14 0.00 -1.06 0.00 0.00 33.84 30.95 2rkj n VAL 350 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rkj s ARG 351 N -4.36 1.96 0.05 1.45 0.52 -0.81 -4.74 118.95 113.02 2rkj s ARG 351 Ca -0.03 -1.62 -0.27 0.00 -0.52 0.00 0.00 55.73 53.30 2rkj s ARG 351 Cb 0.16 -3.21 0.08 0.00 0.52 0.00 0.00 34.95 32.50 2rkj s ARG 351 CO 0.53 -0.82 0.72 1.03 0.02 0.00 0.00 175.30 176.78 2rkj s ARG 352 N 1.07 1.07 -0.24 3.54 1.81 -1.17 -4.80 118.95 120.23 2rkj s ARG 352 Ca 0.02 -0.22 -0.35 0.00 -1.72 0.00 0.00 55.73 53.46 2rkj s ARG 352 Cb -0.20 0.50 -0.16 0.00 -0.45 0.00 0.00 34.95 34.64 2rkj s ARG 352 CO -0.05 -0.43 1.11 0.43 -0.68 0.00 0.00 175.30 175.67 2rkj n SER 353 N 0.03 0.58 0.32 0.23 7.64 -1.26 -4.76 113.62 116.40 2rkj n SER 353 Ca -0.15 0.94 0.17 0.00 1.01 0.00 0.00 58.87 60.83 2rkj n SER 353 Cb 0.62 -0.71 0.89 0.00 -1.01 0.00 0.00 64.21 64.00 2rkj n SER 353 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rkj h ASP 354 N 3.35 0.00 0.06 6.43 3.32 -2.00 0.11 116.42 127.69 2rkj h ASP 354 Ca -0.37 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.39 2rkj h ASP 354 Cb 1.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2rkj h ASP 354 CO 0.68 0.00 -1.55 0.06 -1.72 0.00 0.00 179.24 176.71 2rkj h GLN 355 N 0.00 0.12 -0.99 3.56 -0.00 -2.02 -3.38 115.11 112.41 2rkj h GLN 355 Ca 0.00 -0.21 0.26 0.00 -0.00 0.00 0.00 58.65 58.69 2rkj h GLN 355 Cb 0.49 0.08 -0.07 0.00 -0.00 0.00 0.00 27.48 27.98 2rkj h GLN 355 CO 0.00 1.10 0.67 0.93 -0.00 0.00 0.00 178.83 181.53 2rkj h GLU 356 N -0.53 0.26 -0.81 0.06 5.08 -1.11 -2.89 114.58 114.64 2rkj h GLU 356 Ca -0.37 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.11 2rkj h GLU 356 Cb 1.62 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.68 2rkj h GLU 356 CO -0.07 0.17 -0.29 1.55 -1.00 0.00 0.00 179.01 179.37 2rkj n VAL 357 N -4.46 -0.41 0.00 3.13 3.14 -0.98 -1.35 118.33 117.40 2rkj n VAL 357 Ca 0.22 1.90 0.00 0.00 -2.96 0.00 0.00 64.34 63.50 2rkj n VAL 357 Cb 0.89 -2.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 2rkj n VAL 357 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2rkj n GLU 358 N -5.23 0.00 0.33 1.45 4.07 -1.09 -0.62 120.64 119.54 2rkj n GLU 358 Ca 0.09 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.23 2rkj n GLU 358 Cb 0.34 -0.15 0.17 0.00 -0.06 0.00 0.00 31.44 31.74 2rkj n GLU 358 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 2rkj h ASN 359 N 0.00 0.00 1.53 4.31 -1.07 -1.80 1.25 115.58 119.80 2rkj h ASN 359 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 2rkj h ASN 359 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2rkj h ASN 359 CO 0.00 0.00 -0.45 -0.07 0.07 0.00 0.00 177.43 176.98 2rkj h LEU 360 N 0.00 0.00 0.05 6.14 3.38 -0.69 -2.74 115.31 121.45 2rkj h LEU 360 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2rkj h LEU 360 Cb 1.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.48 2rkj h LEU 360 CO 0.00 0.45 -0.84 -0.07 0.09 0.00 0.00 178.44 178.07 2rkj h LEU 361 N 0.00 0.66 -1.46 1.67 3.38 0.40 -2.64 115.31 117.32 2rkj h LEU 361 Ca -0.00 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.16 2rkj h LEU 361 Cb 1.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2rkj h LEU 361 CO 0.06 1.38 0.28 0.11 0.09 0.00 0.00 178.44 180.36 2rkj h LYS 362 N 0.01 0.64 0.00 1.13 1.57 -1.55 -2.07 116.57 116.30 2rkj h LYS 362 Ca -0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 2rkj h LYS 362 Cb 1.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 2rkj h LYS 362 CO 0.16 0.46 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.52 2rkj h LEU 363 N 0.65 0.00 -2.61 2.94 3.38 -1.53 -3.40 115.31 114.74 2rkj h LEU 363 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2rkj h LEU 363 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2rkj h LEU 363 CO -0.03 0.26 -0.05 0.49 0.09 0.00 0.00 178.44 179.21 2rkj n PHE 364 N -2.89 0.00 -3.83 1.13 3.01 -1.00 -4.84 117.46 109.04 2rkj n PHE 364 Ca -0.02 -0.53 -0.13 0.00 1.01 0.00 0.00 57.45 57.78 2rkj n PHE 364 Cb 0.67 -0.07 -0.14 0.00 -0.01 0.00 0.00 39.48 39.93 2rkj n PHE 364 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2rkj s THR 365 N -1.32 -0.01 -0.20 4.37 -4.23 -0.79 -4.35 115.64 109.12 2rkj s THR 365 Ca 0.09 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 2rkj s THR 365 Cb 0.08 -0.12 -0.09 0.00 1.34 0.00 0.00 72.50 73.72 2rkj s THR 365 CO 0.01 0.02 3.08 0.49 -0.54 0.00 0.00 174.62 177.68 2rkj n PHE 366 N 3.27 0.73 -3.53 3.99 3.72 -1.26 -4.72 117.46 119.67 2rkj n PHE 366 Ca -0.15 -1.67 -0.37 0.00 -0.05 0.00 0.00 57.45 55.21 2rkj n PHE 366 Cb 0.58 -1.40 -0.08 0.00 -0.94 0.00 0.00 39.48 37.64 2rkj n PHE 366 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2rkj s MET 367 N -0.32 4.17 0.09 -1.08 -1.94 -1.26 -5.04 119.30 113.91 2rkj s MET 367 Ca 0.57 0.01 -0.35 0.00 -1.71 0.00 0.00 55.69 54.21 2rkj s MET 367 Cb 0.32 -3.50 -0.14 0.00 2.01 0.00 0.00 34.83 33.52 2rkj s MET 367 CO -0.09 0.08 1.59 -2.30 -0.01 0.00 0.00 175.02 174.29 2rkj n PRO 368 N 4.14 1.93 -0.34 2.03 -0.02 -1.26 -4.74 135.00 136.74 2rkj n PRO 368 Ca -0.12 0.70 0.32 0.00 -2.02 0.00 0.00 63.50 62.38 2rkj n PRO 368 Cb 0.52 -2.46 0.57 0.00 -0.02 0.00 0.00 33.50 32.11 2rkj n PRO 368 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2rkj n ILE 369 N 3.60 -0.34 0.00 4.25 -0.00 -1.26 -1.19 119.36 124.43 2rkj n ILE 369 Ca 0.19 1.80 0.00 0.00 -0.00 0.00 0.00 62.75 64.74 2rkj n ILE 369 Cb 0.26 -2.94 0.00 0.00 -0.00 0.00 0.00 39.64 36.97 2rkj n ILE 369 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2rkj n SER 370 N -4.91 0.00 0.00 7.28 7.64 -1.26 -2.27 113.62 120.10 2rkj n SER 370 Ca 0.36 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.30 2rkj n SER 370 Cb 1.28 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.83 2rkj n SER 370 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2rkj n GLU 371 N 0.00 0.36 -0.07 1.43 0.00 -0.97 -1.78 120.64 119.61 2rkj n GLU 371 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 57.16 57.11 2rkj n GLU 371 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.08 2rkj n GLU 371 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 2rkj h ILE 372 N 0.00 1.26 -0.07 3.84 2.10 -0.71 -2.03 117.51 121.91 2rkj h ILE 372 Ca 0.00 -1.20 -0.14 0.00 1.08 0.00 0.00 64.86 64.60 2rkj h ILE 372 Cb 0.00 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 2rkj h ILE 372 CO 0.00 0.40 -0.59 0.74 -1.08 0.00 0.00 178.15 177.63 2rkj h THR 373 N 0.65 1.38 -0.38 2.19 2.02 -1.15 -3.02 112.91 114.60 2rkj h THR 373 Ca 0.11 -1.95 0.07 0.00 0.77 0.00 0.00 66.41 65.40 2rkj h THR 373 Cb 0.62 1.98 -0.06 0.00 -1.74 0.00 0.00 68.15 68.95 2rkj h THR 373 CO 0.04 0.58 0.01 0.50 0.37 0.00 0.00 175.52 177.02 2rkj h LYS 374 N 0.17 0.11 -0.63 6.66 1.63 -1.47 0.46 116.57 123.50 2rkj h LYS 374 Ca -0.00 -0.01 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 2rkj h LYS 374 Cb 1.08 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 2rkj h LYS 374 CO 0.09 0.07 0.43 1.15 -3.45 0.00 0.00 179.45 177.74 2rkj h THR 375 N 0.11 0.78 0.00 1.00 2.02 -1.35 0.78 112.91 116.25 2rkj h THR 375 Ca 0.19 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2rkj h THR 375 Cb 0.26 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2rkj h THR 375 CO -0.31 0.04 0.00 0.24 0.37 0.00 0.00 175.52 175.86 2rkj h MET 376 N 0.22 0.00 0.00 6.66 2.86 -0.09 -2.56 114.93 122.02 2rkj h MET 376 Ca 0.30 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.75 2rkj h MET 376 Cb 0.88 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.55 2rkj h MET 376 CO -0.06 0.00 -0.76 1.49 1.06 0.00 0.00 176.91 178.64 2rkj h GLU 377 N 0.00 0.52 -0.19 1.72 4.57 0.17 -2.80 114.58 118.56 2rkj h GLU 377 Ca 0.00 -0.56 -0.20 0.00 -1.18 0.00 0.00 59.36 57.42 2rkj h GLU 377 Cb 0.59 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2rkj h GLU 377 CO 0.00 1.19 -0.69 0.93 -1.18 0.00 0.00 179.01 179.26 2rkj h GLU 378 N 0.07 0.77 -0.03 1.92 4.39 -1.48 -3.23 114.58 116.99 2rkj h GLU 378 Ca -0.10 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.03 2rkj h GLU 378 Cb 1.46 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2rkj h GLU 378 CO 0.15 1.19 0.02 1.25 -1.16 0.00 0.00 179.01 180.46 2rkj h HIS 379 N 0.55 0.04 0.00 4.33 2.76 -1.53 -2.99 115.15 118.31 2rkj h HIS 379 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2rkj h HIS 379 Cb 1.30 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2rkj h HIS 379 CO 0.08 0.05 0.00 -0.84 -1.30 0.00 0.00 177.93 175.92 2rkj h ILE 380 N 0.02 0.00 0.00 6.26 -0.00 -1.58 -1.31 117.51 120.90 2rkj h ILE 380 Ca 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.56 2rkj h ILE 380 Cb 0.02 1.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.02 2rkj h ILE 380 CO -0.00 0.00 0.00 0.11 -0.00 0.00 0.00 178.15 178.26 2rkj h LYS 381 N 0.00 0.00 -1.01 0.16 1.57 -1.54 -3.37 116.57 112.38 2rkj h LYS 381 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2rkj h LYS 381 Cb 0.35 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 2rkj h LYS 381 CO 0.00 0.00 -0.47 0.34 -0.57 0.00 0.00 179.45 178.75 2rkj s ASP 382 N -4.48 -1.48 0.15 0.86 3.68 -0.52 -5.06 116.67 109.83 2rkj s ASP 382 Ca 0.05 -1.11 -0.23 0.00 2.13 0.00 0.00 52.55 53.38 2rkj s ASP 382 Cb 0.10 1.93 0.03 0.00 -1.45 0.00 0.00 42.92 43.53 2rkj s ASP 382 CO 0.44 -0.13 1.61 -0.65 0.13 0.00 0.00 175.17 176.57 2rkj h PRO 383 N 6.33 -0.28 -0.44 4.34 0.11 -1.68 -1.49 132.00 138.90 2rkj h PRO 383 Ca 0.05 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2rkj h PRO 383 Cb 1.15 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2rkj h PRO 383 CO 0.07 -0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 2rkj n SER 384 N -5.40 0.44 -0.00 -2.05 3.41 -1.26 -2.58 113.62 106.17 2rkj n SER 384 Ca -0.01 -1.37 0.08 0.00 -0.26 0.00 0.00 58.87 57.31 2rkj n SER 384 Cb 0.32 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 2rkj n SER 384 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2rkj n LYS 385 N -0.08 1.22 -3.89 4.33 0.00 -0.56 -5.00 118.16 114.17 2rkj n LYS 385 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 58.31 57.96 2rkj n LYS 385 Cb 0.11 -1.32 0.02 0.00 0.00 0.00 0.00 35.03 33.85 2rkj n LYS 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2rkj n ARG 386 N -1.64 -5.34 -0.10 1.64 1.74 -1.07 -4.86 116.66 107.03 2rkj n ARG 386 Ca 0.01 0.59 -0.08 0.00 -0.77 0.00 0.00 57.85 57.60 2rkj n ARG 386 Cb 0.32 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 2rkj n ARG 386 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2rkj h VAL 387 N -2.04 0.99 -0.12 1.55 2.07 -1.84 -1.77 116.25 115.08 2rkj h VAL 387 Ca -0.59 -0.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.65 2rkj h VAL 387 Cb 1.37 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2rkj h VAL 387 CO 0.66 0.06 -0.61 0.00 0.02 0.00 0.00 177.57 177.70 2rkj h ALA 388 N 1.17 0.73 -0.29 1.67 0.00 -1.89 -3.08 119.26 117.57 2rkj h ALA 388 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2rkj h ALA 388 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2rkj h ALA 388 CO -0.10 0.72 0.10 1.96 0.00 0.00 0.00 179.25 181.94 2rkj h GLN 389 N 0.30 0.40 -0.11 0.00 7.50 -1.76 0.10 115.11 121.55 2rkj h GLN 389 Ca -0.01 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 59.04 2rkj h GLN 389 Cb 1.15 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.60 2rkj h GLN 389 CO 0.11 0.35 -0.15 0.45 -1.50 0.00 0.00 178.83 178.09 2rkj h HIS 390 N 0.41 0.37 -0.43 2.96 3.86 -1.26 0.38 115.15 121.44 2rkj h HIS 390 Ca 0.10 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2rkj h HIS 390 Cb 0.11 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2rkj h HIS 390 CO 0.00 0.74 0.15 1.15 0.86 0.00 0.00 177.93 180.83 2rkj h THR 391 N -0.11 1.21 -0.16 2.45 2.02 -1.39 0.47 112.91 117.40 2rkj h THR 391 Ca 0.01 -0.69 -0.19 0.00 0.77 0.00 0.00 66.41 66.31 2rkj h THR 391 Cb 0.70 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2rkj h THR 391 CO 0.04 0.25 -0.68 0.25 0.37 0.00 0.00 175.52 175.74 2rkj h LEU 392 N 0.55 0.76 0.19 2.58 5.85 -0.84 -2.41 115.31 122.00 2rkj h LEU 392 Ca 0.14 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2rkj h LEU 392 Cb 0.24 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2rkj h LEU 392 CO -0.01 1.23 -0.09 0.00 -0.34 0.00 0.00 178.44 179.23 2rkj h ALA 393 N 0.76 -0.26 -0.27 1.25 0.00 -0.06 -3.09 119.26 117.59 2rkj h ALA 393 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2rkj h ALA 393 Cb 1.28 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 2rkj h ALA 393 CO 0.13 -0.53 -0.36 -0.09 0.00 0.00 0.00 179.25 178.40 2rkj h ARG 394 N -0.49 -0.34 -0.70 0.00 2.43 -0.06 -2.42 114.38 112.80 2rkj h ARG 394 Ca -0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2rkj h ARG 394 Cb 0.37 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 2rkj h ARG 394 CO 0.04 -0.23 -0.53 0.93 -1.51 0.00 0.00 179.97 178.68 2rkj h GLU 395 N -0.35 -0.15 -0.33 0.20 4.39 -1.45 0.32 114.58 117.22 2rkj h GLU 395 Ca 0.13 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.91 2rkj h GLU 395 Cb 0.56 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 2rkj h GLU 395 CO -0.46 -0.10 -0.24 0.28 -1.16 0.00 0.00 179.01 177.33 2rkj h VAL 396 N -0.15 0.37 -0.11 3.13 2.07 -1.39 0.86 116.25 121.02 2rkj h VAL 396 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2rkj h VAL 396 Cb 0.45 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2rkj h VAL 396 CO -0.73 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 177.36 2rkj h VAL 397 N -0.21 0.78 -0.57 2.57 2.07 -0.70 -0.93 116.25 119.26 2rkj h VAL 397 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.75 2rkj h VAL 397 Cb 0.47 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2rkj h VAL 397 CO -0.45 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.14 2rkj h THR 398 N -0.08 0.89 0.35 2.57 2.02 0.09 1.34 112.91 120.09 2rkj h THR 398 Ca 0.07 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2rkj h THR 398 Cb 0.18 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2rkj h THR 398 CO -0.16 0.09 -0.20 0.25 0.37 0.00 0.00 175.52 175.87 2rkj h LEU 399 N 0.49 -0.49 -2.11 2.58 5.85 -0.30 1.09 115.31 122.42 2rkj h LEU 399 Ca 0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2rkj h LEU 399 Cb 0.24 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2rkj h LEU 399 CO -0.22 -0.32 0.00 0.52 -0.34 0.00 0.00 178.44 178.08 2rkj n VAL 400 N -5.33 0.91 -1.77 1.05 0.31 -0.40 -4.33 118.33 108.77 2rkj n VAL 400 Ca -0.10 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.46 2rkj n VAL 400 Cb 0.24 0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2rkj n VAL 400 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2rkj n HIS 401 N 0.98 0.00 -0.16 3.52 8.25 0.46 -5.01 115.22 123.26 2rkj n HIS 401 Ca 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.66 2rkj n HIS 401 Cb 0.53 0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2rkj n HIS 401 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rkj n GLY 402 N 0.00 -2.74 0.06 -1.41 0.00 0.38 -4.13 105.19 97.35 2rkj n GLY 402 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 2rkj n GLY 402 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2rkj h LYS 403 N -0.12 -0.03 -1.08 1.61 2.10 -1.89 -0.39 116.57 116.77 2rkj h LYS 403 Ca -0.02 0.00 0.34 0.00 -2.00 0.00 0.00 60.65 58.97 2rkj h LYS 403 Cb 0.14 0.01 -0.14 0.00 -0.90 0.00 0.00 32.23 31.34 2rkj h LYS 403 CO 0.01 0.11 0.65 1.96 -2.00 0.00 0.00 179.45 180.18 2rkj h GLN 404 N -0.18 0.28 0.18 0.07 4.20 -1.96 0.76 115.11 118.46 2rkj h GLN 404 Ca -0.00 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 2rkj h GLN 404 Cb 0.16 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.89 2rkj h GLN 404 CO 0.01 0.18 -1.57 1.49 -0.67 0.00 0.00 178.83 178.27 2rkj h GLU 405 N 0.28 0.39 -0.86 1.46 4.57 -1.65 -2.92 114.58 115.84 2rkj h GLU 405 Ca 0.73 -0.66 0.22 0.00 -1.18 0.00 0.00 59.36 58.48 2rkj h GLU 405 Cb 1.84 0.25 -0.14 0.00 -0.16 0.00 0.00 28.75 30.53 2rkj h GLU 405 CO -0.52 1.29 0.16 0.00 -1.18 0.00 0.00 179.01 178.76 2rkj h ALA 406 N 0.28 1.15 0.10 2.92 0.00 0.22 0.11 119.26 124.04 2rkj h ALA 406 Ca -0.27 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2rkj h ALA 406 Cb 2.09 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2rkj h ALA 406 CO 0.20 -0.47 -0.05 0.77 0.00 0.00 0.00 179.25 179.71 2rkj h SER 407 N 0.16 -0.12 -0.68 0.00 0.02 -1.24 -2.72 113.55 108.97 2rkj h SER 407 Ca 0.53 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.72 2rkj h SER 407 Cb 1.04 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 63.48 2rkj h SER 407 CO -0.69 -0.04 0.21 0.00 -1.14 0.00 0.00 176.83 175.18 2rkj n ALA 408 N -2.14 0.55 0.13 3.77 0.00 -0.94 0.27 120.51 122.15 2rkj n ALA 408 Ca -0.02 0.71 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 2rkj n ALA 408 Cb 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 2rkj n ALA 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rkj h ALA 409 N 1.37 -0.37 -0.86 0.00 0.00 -1.06 -2.94 119.26 115.40 2rkj h ALA 409 Ca 0.51 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.43 2rkj h ALA 409 Cb 1.24 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 2rkj h ALA 409 CO -0.58 -0.50 0.34 1.49 0.00 0.00 0.00 179.25 180.00 2rkj h GLU 410 N -0.79 0.36 0.21 0.00 4.81 0.15 -0.81 114.58 118.51 2rkj h GLU 410 Ca -0.04 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2rkj h GLU 410 Cb 0.51 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2rkj h GLU 410 CO 0.06 0.24 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.68 2rkj h ASP 411 N 0.37 -1.36 -0.56 1.04 3.32 -1.09 0.23 116.42 118.37 2rkj h ASP 411 Ca 0.52 0.14 0.09 0.00 0.02 0.00 0.00 57.03 57.80 2rkj h ASP 411 Cb 0.95 0.49 -0.07 0.00 0.22 0.00 0.00 39.33 40.93 2rkj h ASP 411 CO -0.52 -0.55 0.18 1.56 -1.72 0.00 0.00 179.24 178.19 2rkj h GLN 412 N -0.76 0.33 -0.02 3.56 4.20 -1.11 0.25 115.11 121.57 2rkj h GLN 412 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2rkj h GLN 412 Cb 0.74 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2rkj h GLN 412 CO -0.21 0.22 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 2rkj n HIS 413 N -5.04 0.00 0.11 2.96 8.25 -0.41 -2.81 115.22 118.28 2rkj n HIS 413 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 2rkj n HIS 413 Cb 0.26 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.38 2rkj n HIS 413 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2rkj n ARG 414 N -0.49 -0.13 -0.26 -0.41 5.12 0.86 -5.02 116.66 116.34 2rkj n ARG 414 Ca 0.00 -0.81 -0.11 0.00 -1.93 0.00 0.00 57.85 55.00 2rkj n ARG 414 Cb 0.00 -1.06 0.10 0.00 -1.16 0.00 0.00 32.46 30.34 2rkj n ARG 414 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2rkj n MET 415 N 0.13 -2.30 0.00 5.56 2.81 -1.06 -5.03 117.12 117.23 2rkj n MET 415 Ca 0.02 -0.59 0.15 0.00 -1.81 0.00 0.00 57.70 55.47 2rkj n MET 415 Cb 0.11 -0.63 0.79 0.00 -0.71 0.00 0.00 33.22 32.78 2rkj n MET 415 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36