#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lml n ILE 18 N 0.00 1.53 -0.31 -0.61 -0.00 -1.26 -4.34 119.36 114.37 3lml n ILE 18 Ca 0.00 -0.41 0.24 0.00 -0.00 0.00 0.00 62.75 62.58 3lml n ILE 18 Cb 0.00 -1.79 0.54 0.00 -0.00 0.00 0.00 39.64 38.38 3lml n ILE 18 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 3lml h TYR 19 N -0.79 0.56 -0.59 1.39 3.20 -2.01 0.12 116.97 118.85 3lml h TYR 19 Ca -0.66 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.12 3lml h TYR 19 Cb 1.67 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 3lml h TYR 19 CO -0.05 0.06 -0.04 1.79 -1.64 0.00 0.00 178.16 178.28 3lml h THR 20 N 0.34 1.27 0.27 1.81 1.35 -2.00 -2.93 112.91 113.02 3lml h THR 20 Ca 0.57 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3lml h THR 20 Cb 1.55 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3lml h THR 20 CO -0.24 0.43 -0.13 0.78 -0.25 0.00 0.00 175.52 176.11 3lml h ASN 21 N 0.96 -0.31 -0.65 5.36 4.21 -0.98 0.82 115.58 125.00 3lml h ASN 21 Ca 0.16 -0.19 0.19 0.00 1.21 0.00 0.00 56.30 57.67 3lml h ASN 21 Cb 0.60 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 3lml h ASN 21 CO 0.04 0.05 0.64 -0.26 -1.29 0.00 0.00 177.43 176.61 3lml h PHE 22 N -0.71 0.00 0.09 1.19 -1.00 -1.49 0.84 116.94 115.86 3lml h PHE 22 Ca -0.04 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.41 3lml h PHE 22 Cb 0.48 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 3lml h PHE 22 CO 0.03 0.00 -1.86 0.87 -1.61 0.00 0.00 178.31 175.74 3lml h LYS 23 N 0.00 0.19 0.00 1.51 1.57 -1.27 -3.31 116.57 115.26 3lml h LYS 23 Ca 0.31 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3lml h LYS 23 Cb 1.58 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3lml h LYS 23 CO -0.00 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 3lml n ALA 24 N -2.82 1.56 0.01 3.86 0.00 0.29 -2.17 120.51 121.24 3lml n ALA 24 Ca -0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 3lml n ALA 24 Cb 1.05 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 3lml n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lml n ALA 25 N -0.55 2.84 -0.09 0.00 0.00 -0.86 -4.30 120.51 117.56 3lml n ALA 25 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3lml n ALA 25 Cb 0.00 0.37 0.49 0.00 0.00 0.00 0.00 19.45 20.31 3lml n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lml h ALA 26 N -0.08 1.99 0.00 0.00 0.00 -1.53 0.98 119.26 120.62 3lml h ALA 26 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3lml h ALA 26 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3lml h ALA 26 CO -0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 179.25 178.90 3lml n ALA 27 N -2.51 2.63 -0.02 0.00 0.00 -0.92 -3.85 120.51 115.84 3lml n ALA 27 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 3lml n ALA 27 Cb 0.35 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3lml n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3lml h GLU 28 N 0.00 -0.07 0.00 0.00 4.39 0.75 -2.29 114.58 117.36 3lml h GLU 28 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3lml h GLU 28 Cb 0.64 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3lml h GLU 28 CO 0.00 0.11 0.57 0.00 -1.16 0.00 0.00 179.01 178.54 3lml h ARG 29 N -1.01 0.00 0.00 2.33 2.47 -1.22 0.22 114.38 117.17 3lml h ARG 29 Ca -0.01 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 3lml h ARG 29 Cb 0.22 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3lml h ARG 29 CO 0.01 0.00 -1.80 0.25 0.56 0.00 0.00 179.97 179.00 3lml n THR 30 N -2.69 0.26 -2.17 2.04 -2.24 -1.25 -4.14 114.28 104.10 3lml n THR 30 Ca -0.01 -0.43 -0.36 0.00 -2.27 0.00 0.00 64.05 60.98 3lml n THR 30 Cb 0.60 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 3lml n THR 30 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3lml s LYS 31 N -2.90 3.40 0.46 -0.78 -2.85 0.78 -4.83 119.74 113.02 3lml s LYS 31 Ca -0.06 1.77 -0.03 0.00 -1.00 0.00 0.00 55.97 56.65 3lml s LYS 31 Cb 0.09 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.68 3lml s LYS 31 CO 0.64 -0.84 0.72 0.00 0.10 0.00 0.00 175.35 175.97 3lml s ALA 32 N -1.61 3.54 0.00 0.59 0.00 -1.26 -4.92 121.76 118.10 3lml s ALA 32 Ca 0.70 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3lml s ALA 32 Cb -0.28 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.47 3lml s ALA 32 CO 0.33 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.16 3lml n GLY 33 N -2.15 0.34 3.72 0.00 0.00 -1.26 -5.03 105.19 100.80 3lml n GLY 33 Ca -0.00 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 3lml n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lml n GLU 34 N 0.00 2.18 -0.83 1.61 1.02 -1.26 -4.98 120.64 118.39 3lml n GLU 34 Ca 0.00 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3lml n GLU 34 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 3lml n GLU 34 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3lml n ARG 35 N 0.32 0.18 0.00 3.49 0.63 -1.26 -4.96 116.66 115.05 3lml n ARG 35 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3lml n ARG 35 Cb 0.38 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.29 3lml n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3lml n GLY 36 N 0.28 0.00 3.21 5.14 0.00 -0.84 -1.65 105.19 111.33 3lml n GLY 36 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3lml n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lml s THR 37 N 0.00 1.72 0.20 2.61 -4.23 -1.26 -2.37 115.64 112.31 3lml s THR 37 Ca 0.00 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.71 3lml s THR 37 Cb 0.00 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3lml s THR 37 CO 0.00 0.48 -0.10 0.68 -0.54 0.00 0.00 174.62 175.15 3lml s VAL 38 N -0.23 3.12 -0.23 2.29 -7.23 -1.00 0.39 120.40 117.51 3lml s VAL 38 Ca 0.01 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 3lml s VAL 38 Cb -0.11 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3lml s VAL 38 CO 0.01 -0.18 0.21 0.00 -0.31 0.00 0.00 175.10 174.84 3lml s ALA 39 N -1.87 3.60 -0.14 1.32 0.00 0.13 -0.79 121.76 124.00 3lml s ALA 39 Ca 0.26 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3lml s ALA 39 Cb -0.08 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.65 3lml s ALA 39 CO 0.16 -0.24 -0.22 -1.17 0.00 0.00 0.00 175.76 174.29 3lml s LEU 40 N 1.16 2.12 -0.42 0.00 0.20 -0.42 -1.19 118.68 120.13 3lml s LEU 40 Ca 0.10 -0.61 -0.18 0.00 0.69 0.00 0.00 54.13 54.14 3lml s LEU 40 Cb -0.14 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.19 3lml s LEU 40 CO 0.06 0.07 0.46 -2.16 -0.29 0.00 0.00 176.35 174.48 3lml s PRO 41 N 0.87 3.14 0.49 0.98 0.04 -1.26 0.77 135.00 140.01 3lml s PRO 41 Ca -0.06 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.28 3lml s PRO 41 Cb -0.15 -3.96 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 3lml s PRO 41 CO -0.03 -0.86 0.00 1.28 0.04 0.00 0.00 177.00 177.43 3lml n LEU 42 N 5.67 0.00 -3.88 -3.56 4.77 -0.21 -4.90 117.00 114.88 3lml n LEU 42 Ca -0.07 -3.05 -0.30 0.00 -0.03 0.00 0.00 56.01 52.56 3lml n LEU 42 Cb 0.47 0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 41.76 3lml n LEU 42 CO 0.47 -0.43 -0.37 0.00 -1.33 0.00 0.00 177.39 175.72 3lml s ALA 43 N -2.84 1.94 0.33 -1.18 0.00 -1.26 0.73 121.76 119.48 3lml s ALA 43 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.41 3lml s ALA 43 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3lml s ALA 43 CO 0.00 -1.42 0.37 0.00 0.00 0.00 0.00 175.76 174.71 3lml s ALA 44 N 1.40 4.01 -0.29 0.00 0.00 -1.26 -4.97 121.76 120.65 3lml s ALA 44 Ca 0.02 -1.57 0.11 0.00 0.00 0.00 0.00 51.96 50.52 3lml s ALA 44 Cb -0.18 -1.39 0.60 0.00 0.00 0.00 0.00 23.12 22.14 3lml s ALA 44 CO -0.12 -0.01 1.60 0.43 0.00 0.00 0.00 175.76 177.66 3lml n SER 45 N -1.49 3.61 0.00 0.00 7.64 -1.26 -4.66 113.62 117.46 3lml n SER 45 Ca -0.01 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.45 3lml n SER 45 Cb 0.59 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3lml n SER 45 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3lml n TRP 46 N -0.73 0.00 0.00 1.43 -0.00 -1.24 -2.74 117.44 114.16 3lml n TRP 46 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.86 3lml n TRP 46 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.48 3lml n TRP 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3lml n GLY 47 N 0.00 0.59 0.42 5.87 0.00 -1.26 -4.42 105.19 106.39 3lml n GLY 47 Ca 0.00 -1.08 0.23 0.00 0.00 0.00 0.00 46.02 45.16 3lml n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml h ALA 48 N 0.00 2.40 -2.82 4.61 0.00 -1.88 -3.41 119.26 118.16 3lml h ALA 48 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lml h ALA 48 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3lml h ALA 48 CO 0.00 -0.70 -0.48 0.00 0.00 0.00 0.00 179.25 178.07 3lml n ALA 49 N -2.56 -2.52 -1.27 0.00 0.00 -1.26 -4.63 120.51 108.27 3lml n ALA 49 Ca 0.21 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 3lml n ALA 49 Cb 0.82 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 3lml n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3lml n LYS 50 N 0.94 -0.82 -4.06 0.00 5.02 -1.04 -4.99 118.16 113.21 3lml n LYS 50 Ca 0.00 0.79 -0.07 0.00 -2.02 0.00 0.00 58.31 57.00 3lml n LYS 50 Cb 0.00 -4.73 -0.10 0.00 -0.02 0.00 0.00 35.03 30.18 3lml n LYS 50 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3lml s GLU 51 N -2.63 0.60 0.61 1.97 2.02 -1.26 -4.99 118.70 115.02 3lml s GLU 51 Ca 0.00 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 53.79 3lml s GLU 51 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.44 3lml s GLU 51 CO 0.00 -0.12 0.95 -0.06 0.02 0.00 0.00 175.26 176.06 3lml s PHE 52 N -3.63 3.35 -0.08 1.61 0.08 -1.26 -2.70 117.98 115.34 3lml s PHE 52 Ca 0.04 0.84 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 3lml s PHE 52 Cb 0.06 -2.77 0.04 0.00 -0.57 0.00 0.00 43.02 39.78 3lml s PHE 52 CO -0.09 -0.84 0.17 0.08 -0.10 0.00 0.00 175.22 174.44 3lml s VAL 53 N -3.08 -0.10 -0.19 -0.44 1.01 0.45 -4.96 120.40 113.09 3lml s VAL 53 Ca 0.54 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3lml s VAL 53 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3lml s VAL 53 CO 0.48 0.09 0.43 -0.70 0.00 0.00 0.00 175.10 175.40 3lml s GLU 54 N 1.45 4.21 -0.04 2.72 2.12 -1.26 -1.04 118.70 126.86 3lml s GLU 54 Ca -0.07 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.58 3lml s GLU 54 Cb -0.11 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3lml s GLU 54 CO -0.07 -0.02 -0.11 0.96 -0.54 0.00 0.00 175.26 175.49 3lml s ILE 55 N 1.23 0.95 0.00 -3.70 -4.36 -0.75 -4.98 121.20 109.59 3lml s ILE 55 Ca 0.21 -0.43 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 3lml s ILE 55 Cb -0.15 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.72 3lml s ILE 55 CO 0.08 0.29 0.00 0.59 0.24 0.00 0.00 174.94 176.15 3lml n ASN 56 N 3.39 2.75 -4.33 4.36 3.02 -1.26 -2.11 115.26 121.08 3lml n ASN 56 Ca -0.19 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.09 3lml n ASN 56 Cb 0.53 0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.97 3lml n ASN 56 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3lml s LYS 57 N -1.35 1.35 0.28 3.52 1.02 -1.26 -4.95 119.74 118.35 3lml s LYS 57 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.80 3lml s LYS 57 Cb 0.00 -1.68 0.64 0.00 -0.52 0.00 0.00 37.83 36.27 3lml s LYS 57 CO 0.00 0.40 1.70 1.49 -0.92 0.00 0.00 175.35 178.03 3lml h GLU 58 N 4.18 0.39 -1.00 1.68 4.81 -2.02 0.20 114.58 122.82 3lml h GLU 58 Ca -0.48 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 58.88 3lml h GLU 58 Cb 1.17 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 3lml h GLU 58 CO 0.40 0.26 0.62 1.05 -0.73 0.00 0.00 179.01 180.61 3lml h GLU 59 N 0.40 0.84 -0.85 1.92 9.09 -1.99 -1.04 114.58 122.95 3lml h GLU 59 Ca 0.52 -0.05 0.14 0.00 0.05 0.00 0.00 59.36 60.01 3lml h GLU 59 Cb 0.93 -0.19 -0.09 0.00 -1.65 0.00 0.00 28.75 27.75 3lml h GLU 59 CO -0.51 0.56 0.46 -0.44 0.05 0.00 0.00 179.01 179.13 3lml h ASP 60 N 0.87 0.58 0.32 3.06 3.45 -1.35 -1.00 116.42 122.34 3lml h ASP 60 Ca 0.53 0.08 0.00 0.00 0.43 0.00 0.00 57.03 58.07 3lml h ASP 60 Cb 0.69 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 3lml h ASP 60 CO -0.31 0.27 -0.43 0.58 -1.57 0.00 0.00 179.24 177.78 3lml h VAL 61 N 0.68 0.14 -0.50 -1.35 2.07 -1.23 0.04 116.25 116.10 3lml h VAL 61 Ca 0.45 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.92 3lml h VAL 61 Cb 0.59 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3lml h VAL 61 CO -0.33 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.29 3lml h GLU 62 N -0.80 0.81 -0.26 1.57 4.81 -1.06 0.25 114.58 119.91 3lml h GLU 62 Ca -0.02 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 3lml h GLU 62 Cb 0.74 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3lml h GLU 62 CO -0.13 0.78 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.66 3lml h LYS 63 N 0.70 0.40 0.00 1.92 3.64 -1.04 0.26 116.57 122.44 3lml h LYS 63 Ca 0.16 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 59.26 3lml h LYS 63 Cb 0.34 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3lml h LYS 63 CO 0.00 0.46 -2.08 1.63 -2.27 0.00 0.00 179.45 177.19 3lml n LYS 64 N -4.29 0.67 -0.01 1.90 5.02 -0.01 -4.56 118.16 116.88 3lml n LYS 64 Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3lml n LYS 64 Cb 0.25 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3lml n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3lml n LEU 65 N -2.58 1.52 0.00 -0.35 4.32 0.85 -4.61 117.00 116.15 3lml n LEU 65 Ca -0.18 -1.44 0.00 0.00 -0.02 0.00 0.00 56.01 54.36 3lml n LEU 65 Cb 0.88 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.67 3lml n LEU 65 CO 0.44 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 3lml n GLY 66 N -0.15 1.38 3.48 -0.72 0.00 0.92 -4.47 105.19 105.63 3lml n GLY 66 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3lml n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lml s LEU 67 N 0.00 2.53 0.33 0.99 2.01 -1.25 -4.96 118.68 118.33 3lml s LEU 67 Ca 0.00 -1.24 -0.26 0.00 0.01 0.00 0.00 54.13 52.64 3lml s LEU 67 Cb 0.00 -0.70 -0.10 0.00 0.01 0.00 0.00 46.19 45.40 3lml s LEU 67 CO 0.00 -0.36 0.95 -0.55 1.01 0.00 0.00 176.35 177.40 3lml s SER 68 N -3.51 7.31 0.66 2.29 0.15 -1.26 -2.22 113.70 117.12 3lml s SER 68 Ca 0.32 1.86 0.36 0.00 0.70 0.00 0.00 55.95 59.19 3lml s SER 68 Cb 0.05 -2.58 1.99 0.00 -1.71 0.00 0.00 66.02 63.77 3lml s SER 68 CO 0.14 -0.09 2.14 0.25 1.20 0.00 0.00 173.24 176.88 3lml h LEU 69 N 3.16 0.00 0.00 3.45 5.85 -1.92 0.34 115.31 126.19 3lml h LEU 69 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3lml h LEU 69 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3lml h LEU 69 CO 0.65 0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 178.70 3lml n ALA 70 N -2.01 2.45 -0.73 1.25 0.00 -1.26 -4.72 120.51 115.48 3lml n ALA 70 Ca -0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3lml n ALA 70 Cb 0.24 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.42 3lml n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3lml n HIS 71 N -1.55 0.56 0.27 0.00 -0.00 0.12 -4.90 115.22 109.73 3lml n HIS 71 Ca 0.07 0.38 0.16 0.00 -0.00 0.00 0.00 57.72 58.32 3lml n HIS 71 Cb 0.35 -1.98 0.56 0.00 -0.00 0.00 0.00 29.99 28.92 3lml n HIS 71 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 3lml h GLN 72 N -1.75 0.00 0.00 1.57 5.75 -1.90 -3.02 115.11 115.76 3lml h GLN 72 Ca -0.43 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 3lml h GLN 72 Cb 1.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 3lml h GLN 72 CO 0.41 0.00 -0.18 0.77 -2.65 0.00 0.00 178.83 177.18 3lml h SER 73 N 0.00 0.00 -0.74 -0.69 0.02 -1.92 -3.11 113.55 107.11 3lml h SER 73 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 3lml h SER 73 Cb 0.63 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.93 3lml h SER 73 CO 0.00 0.18 0.32 0.49 -1.14 0.00 0.00 176.83 176.68 3lml n PHE 74 N -3.56 2.32 0.14 3.45 0.99 -1.14 -4.71 117.46 114.96 3lml n PHE 74 Ca -0.01 -1.94 -0.12 0.00 -0.00 0.00 0.00 57.45 55.38 3lml n PHE 74 Cb 0.32 -0.81 -0.07 0.00 -1.00 0.00 0.00 39.48 37.92 3lml n PHE 74 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3lml h LEU 75 N 1.20 -1.02 -0.94 4.37 6.46 -1.72 -1.04 115.31 122.62 3lml h LEU 75 Ca 0.46 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 58.43 3lml h LEU 75 Cb 2.07 0.36 -0.08 0.00 -0.73 0.00 0.00 40.66 42.27 3lml h LEU 75 CO 0.88 -0.42 0.57 -0.07 -0.62 0.00 0.00 178.44 178.77 3lml h LEU 76 N -0.61 0.82 -0.17 2.25 3.38 -1.89 -1.86 115.31 117.22 3lml h LEU 76 Ca -0.03 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3lml h LEU 76 Cb 0.56 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3lml h LEU 76 CO -0.12 0.44 -0.10 0.25 0.09 0.00 0.00 178.44 179.00 3lml h LEU 77 N 0.90 -0.34 -0.53 1.67 5.85 -1.76 -1.37 115.31 119.73 3lml h LEU 77 Ca 0.46 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.31 3lml h LEU 77 Cb 0.47 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3lml h LEU 77 CO -0.27 -0.14 0.28 0.03 -0.34 0.00 0.00 178.44 178.00 3lml h ARG 78 N -0.10 0.52 -0.02 1.25 3.08 -0.39 -0.58 114.38 118.15 3lml h ARG 78 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3lml h ARG 78 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3lml h ARG 78 CO -0.23 0.35 -0.01 0.93 -1.07 0.00 0.00 179.97 179.93 3lml h GLU 79 N 0.54 0.02 -0.02 0.04 4.39 -1.02 -1.77 114.58 116.77 3lml h GLU 79 Ca 0.23 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 3lml h GLU 79 Cb 0.13 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3lml h GLU 79 CO -0.16 0.04 -0.25 1.15 -1.16 0.00 0.00 179.01 178.63 3lml h THR 80 N 0.02 1.50 0.00 1.13 2.02 -0.13 -3.11 112.91 114.34 3lml h THR 80 Ca 0.01 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.36 3lml h THR 80 Cb 0.04 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3lml h THR 80 CO 0.00 0.51 0.00 0.18 0.37 0.00 0.00 175.52 176.58 3lml n LEU 81 N -4.51 0.34 0.22 2.58 4.77 -0.34 -1.85 117.00 118.22 3lml n LEU 81 Ca -0.09 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 3lml n LEU 81 Cb 0.49 -0.68 0.74 0.00 -2.33 0.00 0.00 43.42 41.63 3lml n LEU 81 CO 0.39 -0.74 1.11 0.11 -1.33 0.00 0.00 177.39 176.94 3lml h LYS 82 N 0.00 0.00 0.00 3.23 1.57 -1.27 -3.31 116.57 116.79 3lml h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lml h LYS 82 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3lml h LYS 82 CO 0.00 0.00 -0.26 1.28 -0.57 0.00 0.00 179.45 179.90 3lml n LEU 83 N -4.23 0.00 -4.77 2.94 4.77 -1.04 -5.06 117.00 109.60 3lml n LEU 83 Ca -0.00 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3lml n LEU 83 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3lml n LEU 83 CO 0.32 0.00 0.46 0.00 -1.33 0.00 0.00 177.39 176.84 3lml s ALA 84 N -0.54 3.44 0.06 -1.18 0.00 -0.77 -4.54 121.76 118.24 3lml s ALA 84 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 3lml s ALA 84 Cb 0.00 -2.94 -0.25 0.00 0.00 0.00 0.00 23.12 19.93 3lml s ALA 84 CO 0.00 0.25 1.15 -0.22 0.00 0.00 0.00 175.76 176.94 3lml h LYS 85 N 4.68 0.66 -5.09 0.00 3.64 -0.93 -3.41 116.57 116.11 3lml h LYS 85 Ca -0.47 -0.77 -0.41 0.00 -1.27 0.00 0.00 60.65 57.74 3lml h LYS 85 Cb 1.21 0.23 -0.25 0.00 -0.41 0.00 0.00 32.23 33.00 3lml h LYS 85 CO 0.67 1.33 -0.78 0.99 -2.27 0.00 0.00 179.45 179.39 3lml s THR 86 N -3.19 0.95 -0.07 1.00 2.01 -1.18 -4.65 115.64 110.51 3lml s THR 86 Ca -0.10 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.06 3lml s THR 86 Cb 0.06 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.73 3lml s THR 86 CO 0.92 0.02 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.10 3lml s VAL 87 N -0.74 0.89 -0.80 3.82 1.01 -0.90 -2.37 120.40 121.32 3lml s VAL 87 Ca 0.01 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 3lml s VAL 87 Cb -0.07 -0.88 0.20 0.00 0.00 0.00 0.00 36.38 35.63 3lml s VAL 87 CO 0.01 0.32 0.76 -0.76 0.00 0.00 0.00 175.10 175.43 3lml s LEU 88 N 1.11 6.56 -0.01 3.92 1.43 0.03 -1.82 118.68 129.90 3lml s LEU 88 Ca -0.07 -2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 50.20 3lml s LEU 88 Cb -0.14 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3lml s LEU 88 CO -0.01 -0.65 1.01 0.54 0.23 0.00 0.00 176.35 177.47 3lml s VAL 89 N 0.53 4.78 -0.21 -1.59 0.11 -0.21 -1.30 120.40 122.52 3lml s VAL 89 Ca 0.17 2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 61.17 3lml s VAL 89 Cb -0.12 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.42 3lml s VAL 89 CO -0.07 0.13 0.02 -0.47 -3.33 0.00 0.00 175.10 171.38 3lml s TYR 90 N 1.19 3.08 -0.47 1.54 5.04 0.23 -0.41 117.35 127.54 3lml s TYR 90 Ca 0.52 -0.36 -0.29 0.00 -2.44 0.00 0.00 57.07 54.50 3lml s TYR 90 Cb -0.21 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.01 3lml s TYR 90 CO 0.26 -0.20 1.30 0.50 -1.34 0.00 0.00 175.55 176.08 3lml s ARG 91 N 1.01 3.57 0.01 4.97 3.52 -1.10 -1.05 118.95 129.88 3lml s ARG 91 Ca 0.02 0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 56.04 3lml s ARG 91 Cb -0.14 -4.00 -0.19 0.00 -1.56 0.00 0.00 34.95 29.06 3lml s ARG 91 CO 0.02 -1.58 1.39 -0.07 -0.81 0.00 0.00 175.30 174.25 3lml h LEU 92 N 12.01 -0.03 0.00 -0.88 3.38 -0.05 -2.77 115.31 126.97 3lml h LEU 92 Ca -0.26 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3lml h LEU 92 Cb 1.08 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3lml h LEU 92 CO 1.12 0.32 0.00 -0.46 0.09 0.00 0.00 178.44 179.51 3lml n ASN 93 N -4.94 0.00 -0.87 -0.43 0.23 -1.26 -4.71 115.26 103.28 3lml n ASN 93 Ca -0.08 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 3lml n ASN 93 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3lml n ASN 93 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3lml n ASP 94 N -0.24 0.00 0.00 0.53 4.64 -1.26 -4.37 116.55 115.85 3lml n ASP 94 Ca 0.00 -0.87 0.00 0.00 -1.38 0.00 0.00 54.79 52.54 3lml n ASP 94 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3lml n ASP 94 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3lml n GLY 95 N 0.00 0.15 3.77 0.27 0.00 -1.26 -1.62 105.19 106.50 3lml n GLY 95 Ca 0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 3lml n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 96 N -2.00 2.56 -0.19 -0.61 -1.09 0.81 -4.09 121.20 116.59 3lml s ILE 96 Ca 0.00 0.53 -0.20 0.00 -2.23 0.00 0.00 60.65 58.75 3lml s ILE 96 Cb 0.00 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 3lml s ILE 96 CO 0.00 0.11 0.60 -0.54 -1.23 0.00 0.00 174.94 173.88 3lml s LYS 97 N -2.04 4.22 0.42 2.79 1.02 -1.26 -1.93 119.74 122.96 3lml s LYS 97 Ca 0.53 0.58 -0.25 0.00 0.02 0.00 0.00 55.97 56.85 3lml s LYS 97 Cb -0.40 -3.56 -0.10 0.00 -0.52 0.00 0.00 37.83 33.25 3lml s LYS 97 CO 0.53 -0.19 1.24 0.00 -0.92 0.00 0.00 175.35 176.01 3lml n ALA 98 N 4.89 1.16 -2.41 5.17 0.00 -1.26 -4.64 120.51 123.41 3lml n ALA 98 Ca -0.02 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 3lml n ALA 98 Cb 0.50 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 3lml n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 99 N -1.20 0.29 0.00 0.00 2.01 -0.23 -0.58 115.64 115.93 3lml s THR 99 Ca 0.61 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.61 3lml s THR 99 Cb -0.52 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3lml s THR 99 CO 0.58 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 3lml n ALA 100 N -0.79 0.00 -3.21 7.40 0.00 -0.91 -0.14 120.51 122.86 3lml n ALA 100 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3lml n ALA 100 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 3lml n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 101 N -2.00 3.92 0.35 0.00 2.01 -1.26 -0.58 115.64 118.08 3lml s THR 101 Ca 0.00 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 3lml s THR 101 Cb 0.00 -2.99 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 3lml s THR 101 CO 0.00 0.12 0.85 -0.22 -0.69 0.00 0.00 174.62 174.69 3lml s LEU 102 N 1.50 4.10 0.00 4.42 0.20 -0.93 -4.86 118.68 123.11 3lml s LEU 102 Ca 0.03 1.55 0.00 0.00 0.69 0.00 0.00 54.13 56.40 3lml s LEU 102 Cb -0.17 -4.18 0.00 0.00 -0.43 0.00 0.00 46.19 41.42 3lml s LEU 102 CO 0.02 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.87 3lml n ALA 103 N -0.16 0.00 -3.93 5.97 0.00 -1.26 -2.85 120.51 118.28 3lml n ALA 103 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 3lml n ALA 103 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 3lml n ALA 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 104 N 0.00 1.52 -1.12 0.00 2.01 -0.97 -4.88 115.64 112.20 3lml s THR 104 Ca 0.00 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 60.48 3lml s THR 104 Cb 0.00 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.71 3lml s THR 104 CO 0.00 -0.15 0.71 0.47 -0.69 0.00 0.00 174.62 174.96 3lml n ASP 105 N 4.67 -4.75 -3.33 3.53 9.92 -1.22 -2.49 116.55 122.87 3lml n ASP 105 Ca -0.11 -1.13 -0.26 0.00 -0.53 0.00 0.00 54.79 52.77 3lml n ASP 105 Cb 0.44 -2.34 -0.08 0.00 -0.64 0.00 0.00 41.12 38.50 3lml n ASP 105 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3lml n VAL 106 N -4.36 0.68 -1.58 2.53 0.31 -1.13 -4.39 118.33 110.38 3lml n VAL 106 Ca -0.13 -4.53 -0.51 0.00 -0.01 0.00 0.00 64.34 59.16 3lml n VAL 106 Cb 0.59 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 3lml n VAL 106 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3lml n VAL 107 N 1.27 0.34 -3.87 2.52 0.31 -1.25 -2.19 118.33 115.47 3lml n VAL 107 Ca 0.25 -0.18 -0.36 0.00 -0.01 0.00 0.00 64.34 64.04 3lml n VAL 107 Cb 0.47 -1.68 -0.13 0.00 -0.91 0.00 0.00 33.84 31.58 3lml n VAL 107 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3lml s VAL 108 N 5.63 3.27 0.04 2.52 1.01 0.26 -1.38 120.40 131.75 3lml s VAL 108 Ca 1.02 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3lml s VAL 108 Cb -0.82 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3lml s VAL 108 CO 0.53 0.03 -0.12 0.42 0.00 0.00 0.00 175.10 175.96 3lml s THR 109 N 1.35 3.25 0.71 3.92 -4.23 -0.84 -2.15 115.64 117.66 3lml s THR 109 Ca -0.01 -1.06 -0.15 0.00 -1.18 0.00 0.00 61.69 59.29 3lml s THR 109 Cb -0.18 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.26 3lml s THR 109 CO -0.01 0.30 1.19 0.00 -0.54 0.00 0.00 174.62 175.55 3lml s ALA 110 N -1.03 2.20 -0.01 3.99 0.00 0.25 -0.36 121.76 126.80 3lml s ALA 110 Ca 0.17 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 3lml s ALA 110 Cb -0.11 -3.44 -0.19 0.00 0.00 0.00 0.00 23.12 19.38 3lml s ALA 110 CO 0.08 -1.74 1.29 -0.22 0.00 0.00 0.00 175.76 175.17 3lml h LYS 111 N -0.20 -0.06 -6.09 0.00 3.64 -1.70 -3.44 116.57 108.73 3lml h LYS 111 Ca -0.48 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 3lml h LYS 111 Cb 1.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3lml h LYS 111 CO 0.51 0.36 -0.34 0.71 -2.27 0.00 0.00 179.45 178.42 3lml s TYR 112 N -4.43 2.19 -0.03 1.91 2.02 -1.26 -5.07 117.35 112.68 3lml s TYR 112 Ca -0.15 -0.65 -0.10 0.00 -0.37 0.00 0.00 57.07 55.79 3lml s TYR 112 Cb 0.02 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 3lml s TYR 112 CO 0.65 -0.30 0.30 0.20 -1.57 0.00 0.00 175.55 174.82 3lml s GLY 113 N -4.21 2.33 0.00 0.71 0.00 -1.26 -4.57 107.32 100.32 3lml s GLY 113 Ca 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3lml s GLY 113 CO 0.26 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.82 3lml n GLY 114 N 1.64 4.36 0.11 0.20 0.00 -0.81 -3.63 105.19 107.05 3lml n GLY 114 Ca -0.15 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.53 3lml n GLY 114 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lml n ILE 115 N -1.93 1.30 0.23 -0.61 -5.35 -1.21 -1.07 119.36 110.72 3lml n ILE 115 Ca 0.00 0.66 0.09 0.00 -0.27 0.00 0.00 62.75 63.23 3lml n ILE 115 Cb 0.00 -1.66 0.55 0.00 -1.74 0.00 0.00 39.64 36.79 3lml n ILE 115 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3lml h VAL 116 N 0.00 0.72 0.00 7.28 2.07 -1.86 -2.19 116.25 122.27 3lml h VAL 116 Ca 0.00 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3lml h VAL 116 Cb 0.07 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3lml h VAL 116 CO 0.00 0.21 -0.07 1.23 0.02 0.00 0.00 177.57 178.97 3lml h GLY 117 N 1.35 0.00 1.16 2.17 0.00 -1.34 -2.24 103.07 104.16 3lml h GLY 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lml h GLY 117 CO 0.03 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.27 3lml n ASN 118 N -3.36 0.00 -0.53 0.19 3.02 -0.82 -2.03 115.26 111.74 3lml n ASN 118 Ca -0.01 -0.62 0.11 0.00 -0.03 0.00 0.00 54.58 54.03 3lml n ASN 118 Cb 0.23 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.33 3lml n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lml n SER 119 N -1.08 2.07 -4.75 6.41 7.64 -0.84 -4.78 113.62 118.30 3lml n SER 119 Ca 0.18 -1.54 -0.40 0.00 1.01 0.00 0.00 58.87 58.12 3lml n SER 119 Cb 0.12 0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 3lml n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3lml s ILE 120 N -2.31 4.43 -0.18 0.44 1.01 -0.86 -2.37 121.20 121.36 3lml s ILE 120 Ca 0.19 1.91 -0.07 0.00 0.00 0.00 0.00 60.65 62.67 3lml s ILE 120 Cb 0.17 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.48 3lml s ILE 120 CO 0.51 0.41 0.40 0.28 0.00 0.00 0.00 174.94 176.53 3lml s THR 121 N -0.48 -0.42 -0.20 2.92 -1.32 -0.68 -1.78 115.64 113.68 3lml s THR 121 Ca 0.42 0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.93 3lml s THR 121 Cb -0.23 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 3lml s THR 121 CO 0.28 0.06 0.22 -0.63 -2.21 0.00 0.00 174.62 172.35 3lml s ILE 122 N 2.19 5.34 -0.26 5.08 1.09 -0.88 -0.80 121.20 132.96 3lml s ILE 122 Ca -0.04 0.37 0.03 0.00 -1.10 0.00 0.00 60.65 59.91 3lml s ILE 122 Cb -0.11 -3.56 0.06 0.00 -1.06 0.00 0.00 42.46 37.79 3lml s ILE 122 CO -0.12 0.38 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.25 3lml s LYS 123 N 0.68 2.11 -0.26 2.79 2.20 -0.54 -2.09 119.74 124.63 3lml s LYS 123 Ca 0.12 -1.32 -0.09 0.00 -0.36 0.00 0.00 55.97 54.32 3lml s LYS 123 Cb -0.13 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 3lml s LYS 123 CO 0.03 -0.59 0.14 0.54 -0.36 0.00 0.00 175.35 175.10 3lml s VAL 124 N 1.14 4.97 0.17 4.02 0.11 -1.12 -2.28 120.40 127.41 3lml s VAL 124 Ca -0.08 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3lml s VAL 124 Cb -0.20 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 3lml s VAL 124 CO -0.05 0.31 0.02 0.47 -3.33 0.00 0.00 175.10 172.51 3lml n ASP 125 N 4.77 2.36 -4.89 3.54 10.43 -0.90 -0.57 116.55 131.28 3lml n ASP 125 Ca -0.15 -1.73 -0.35 0.00 2.57 0.00 0.00 54.79 55.14 3lml n ASP 125 Cb 0.52 0.10 -0.05 0.00 1.84 0.00 0.00 41.12 43.53 3lml n ASP 125 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3lml s GLU 126 N -2.63 3.43 0.09 -1.24 2.12 -1.26 0.63 118.70 119.84 3lml s GLU 126 Ca 0.01 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.78 3lml s GLU 126 Cb -0.00 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 3lml s GLU 126 CO 0.01 0.71 1.30 1.21 -0.54 0.00 0.00 175.26 177.95 3lml s ASN 127 N -1.59 6.95 0.14 -1.70 3.04 0.85 -4.54 114.94 118.09 3lml s ASN 127 Ca 0.23 2.18 0.09 0.00 0.04 0.00 0.00 52.86 55.39 3lml s ASN 127 Cb -0.12 -2.58 -0.16 0.00 -1.54 0.00 0.00 41.25 36.85 3lml s ASN 127 CO 0.13 -0.56 1.28 -0.37 -3.04 0.00 0.00 177.10 174.54 3lml h VAL 128 N 4.37 1.50 -0.43 -5.21 -1.51 -1.96 -2.91 116.25 110.10 3lml h VAL 128 Ca -0.42 -3.15 0.00 0.00 -1.23 0.00 0.00 66.70 61.91 3lml h VAL 128 Cb 1.21 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 3lml h VAL 128 CO 0.84 0.86 0.00 0.52 -1.23 0.00 0.00 177.57 178.55 3lml n VAL 129 N -3.31 1.03 0.00 7.19 0.31 -1.26 -4.60 118.33 117.69 3lml n VAL 129 Ca -0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 3lml n VAL 129 Cb 0.90 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 3lml n VAL 129 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3lml n ASP 130 N 0.71 0.00 0.14 4.52 4.64 -1.22 -5.02 116.55 120.32 3lml n ASP 130 Ca 0.16 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.63 3lml n ASP 130 Cb 0.56 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.91 3lml n ASP 130 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3lml n SER 131 N 0.00 0.26 0.15 1.67 2.88 -1.10 -0.61 113.62 116.87 3lml n SER 131 Ca 0.00 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 3lml n SER 131 Cb 0.00 -0.41 0.34 0.00 -0.75 0.00 0.00 64.21 63.38 3lml n SER 131 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3lml h SER 132 N 0.00 0.00 -1.74 -3.46 4.64 -1.96 -3.44 113.55 107.59 3lml h SER 132 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3lml h SER 132 Cb 0.69 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 3lml h SER 132 CO 0.00 0.00 -0.44 -0.54 -0.87 0.00 0.00 176.83 174.98 3lml s LYS 133 N -3.16 2.59 0.24 4.77 1.02 0.22 -4.76 119.74 120.66 3lml s LYS 133 Ca 0.09 -1.43 0.12 0.00 0.02 0.00 0.00 55.97 54.76 3lml s LYS 133 Cb 0.10 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 3lml s LYS 133 CO 0.61 0.00 -0.20 0.15 -0.92 0.00 0.00 175.35 174.99 3lml s LYS 134 N -4.01 1.65 -0.95 1.68 3.01 0.47 -0.10 119.74 121.49 3lml s LYS 134 Ca 0.43 -1.63 -0.05 0.00 -1.01 0.00 0.00 55.97 53.71 3lml s LYS 134 Cb -0.04 -1.84 0.24 0.00 -1.01 0.00 0.00 37.83 35.18 3lml s LYS 134 CO 0.26 0.37 0.87 -0.51 0.51 0.00 0.00 175.35 176.85 3lml s ASP 135 N -3.13 6.43 -0.38 2.83 -0.00 0.21 -2.58 116.67 120.04 3lml s ASP 135 Ca 0.26 -3.59 -0.27 0.00 -0.00 0.00 0.00 52.55 48.95 3lml s ASP 135 Cb -0.06 -2.02 0.02 0.00 -0.00 0.00 0.00 42.92 40.85 3lml s ASP 135 CO 0.13 -0.24 0.98 -0.69 -0.00 0.00 0.00 175.17 175.35 3lml s VAL 136 N -1.19 4.51 0.08 -1.27 1.01 -0.63 -2.12 120.40 120.79 3lml s VAL 136 Ca 0.28 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.61 3lml s VAL 136 Cb -0.09 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3lml s VAL 136 CO -0.10 -0.62 -0.24 0.42 0.00 0.00 0.00 175.10 174.55 3lml s THR 137 N 3.68 2.00 -0.10 3.92 -4.23 -0.97 -0.26 115.64 119.68 3lml s THR 137 Ca 0.41 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3lml s THR 137 Cb -0.11 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 3lml s THR 137 CO 0.21 0.16 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.44 3lml s THR 138 N -0.96 3.22 0.17 3.99 2.01 0.13 -1.46 115.64 122.74 3lml s THR 138 Ca 0.11 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.57 3lml s THR 138 Cb -0.10 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 3lml s THR 138 CO 0.04 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.08 3lml s TYR 139 N -0.10 2.58 -0.36 4.92 1.51 0.02 -1.07 117.35 124.85 3lml s TYR 139 Ca -0.01 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3lml s TYR 139 Cb -0.14 -1.28 0.13 0.00 -0.11 0.00 0.00 41.96 40.57 3lml s TYR 139 CO 0.03 0.49 0.21 -1.17 -1.11 0.00 0.00 175.55 174.00 3lml s LEU 140 N -2.68 1.35 -0.14 -1.29 2.96 -0.34 -1.69 118.68 116.84 3lml s LEU 140 Ca 0.23 -2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 51.94 3lml s LEU 140 Cb -0.09 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.06 3lml s LEU 140 CO 0.14 -0.31 0.12 0.59 -1.32 0.00 0.00 176.35 175.57 3lml n ASN 141 N 4.05 -2.26 -0.42 3.68 5.03 -1.00 -3.65 115.26 120.69 3lml n ASN 141 Ca 0.10 -0.06 -0.06 0.00 0.87 0.00 0.00 54.58 55.43 3lml n ASN 141 Cb 0.37 -1.01 -0.02 0.00 -1.02 0.00 0.00 39.78 38.09 3lml n ASN 141 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3lml n GLU 142 N -1.17 -0.96 -4.22 3.52 4.71 -1.26 -4.99 120.64 116.26 3lml n GLU 142 Ca -0.01 0.58 -0.27 0.00 -0.01 0.00 0.00 57.16 57.44 3lml n GLU 142 Cb 0.51 -4.48 -0.17 0.00 -1.01 0.00 0.00 31.44 26.29 3lml n GLU 142 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3lml s VAL 143 N -1.92 1.23 0.43 2.62 0.11 -1.24 -5.09 120.40 116.54 3lml s VAL 143 Ca 0.00 -0.46 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 3lml s VAL 143 Cb 0.00 -1.17 -0.09 0.00 -1.53 0.00 0.00 36.38 33.58 3lml s VAL 143 CO 0.00 0.39 1.33 0.00 -3.33 0.00 0.00 175.10 173.49 3lml n ALA 144 N 4.46 1.55 -0.21 1.54 0.00 -1.26 -1.20 120.51 125.39 3lml n ALA 144 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3lml n ALA 144 Cb 0.51 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3lml n ALA 144 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3lml n VAL 145 N -0.19 0.00 -3.47 0.00 0.24 -0.23 -4.86 118.33 109.81 3lml n VAL 145 Ca 0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3lml n VAL 145 Cb 0.40 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 3lml n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3lml s ASP 146 N -0.11 -0.67 -0.08 -1.34 2.15 -1.20 -4.99 116.67 110.42 3lml s ASP 146 Ca 0.00 0.94 0.02 0.00 0.43 0.00 0.00 52.55 53.94 3lml s ASP 146 Cb 0.00 1.71 0.01 0.00 -0.30 0.00 0.00 42.92 44.34 3lml s ASP 146 CO 0.00 -0.13 -0.13 -0.75 -0.17 0.00 0.00 175.17 173.98 3lml s LYS 147 N 2.38 1.92 -0.08 4.34 2.20 -1.26 0.21 119.74 129.46 3lml s LYS 147 Ca -0.04 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 3lml s LYS 147 Cb -0.07 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 3lml s LYS 147 CO -0.17 -0.02 -0.19 -0.65 -0.36 0.00 0.00 175.35 173.96 3lml s GLN 148 N 0.84 2.37 -0.74 4.03 -0.21 0.64 -5.00 119.66 121.60 3lml s GLN 148 Ca -0.11 -0.67 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 3lml s GLN 148 Cb -0.15 -1.87 0.19 0.00 1.00 0.00 0.00 33.01 32.19 3lml s GLN 148 CO 0.01 0.13 0.64 0.08 -2.12 0.00 0.00 175.29 174.04 3lml s VAL 149 N 0.43 4.97 0.34 1.09 1.01 -1.26 -1.61 120.40 125.37 3lml s VAL 149 Ca -0.15 -2.57 0.09 0.00 0.00 0.00 0.00 61.98 59.35 3lml s VAL 149 Cb -0.16 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3lml s VAL 149 CO 0.06 -0.97 0.02 0.68 0.00 0.00 0.00 175.10 174.89 3lml s VAL 150 N 0.18 2.62 -0.23 2.92 -7.23 -1.07 -4.89 120.40 112.70 3lml s VAL 150 Ca 0.17 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 3lml s VAL 150 Cb -0.15 -2.81 -0.14 0.00 0.56 0.00 0.00 36.38 33.84 3lml s VAL 150 CO -0.06 -0.19 -0.21 0.61 -0.31 0.00 0.00 175.10 174.93 3lml n GLY 151 N -0.96 -0.32 3.59 2.32 0.00 -1.26 -0.40 105.19 108.16 3lml n GLY 151 Ca -0.04 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3lml n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 152 N -2.45 3.05 0.45 2.61 -1.32 -1.26 -4.78 115.64 111.93 3lml s THR 152 Ca -0.31 -2.07 0.10 0.00 -1.21 0.00 0.00 61.69 58.20 3lml s THR 152 Cb 0.08 -2.67 0.27 0.00 -1.51 0.00 0.00 72.50 68.67 3lml s THR 152 CO 0.51 -0.36 2.09 0.00 -2.21 0.00 0.00 174.62 174.65 3lml h ALA 153 N 1.99 1.81 -0.31 11.08 0.00 -1.95 -1.99 119.26 129.90 3lml h ALA 153 Ca -0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3lml h ALA 153 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3lml h ALA 153 CO 0.61 0.17 -0.06 0.77 0.00 0.00 0.00 179.25 180.75 3lml h SER 154 N 0.35 0.47 0.04 0.00 0.02 -1.97 -2.68 113.55 109.77 3lml h SER 154 Ca 0.09 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3lml h SER 154 Cb -0.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3lml h SER 154 CO -0.02 0.58 0.00 -0.62 -1.14 0.00 0.00 176.83 175.63 3lml n GLU 155 N -4.25 0.24 -2.76 3.45 1.02 -0.75 -4.65 120.64 112.94 3lml n GLU 155 Ca 0.01 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 3lml n GLU 155 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3lml n GLU 155 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3lml s LEU 156 N -2.15 4.03 -0.22 -4.62 1.43 -1.01 -4.90 118.68 111.24 3lml s LEU 156 Ca 0.12 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.14 3lml s LEU 156 Cb 0.06 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3lml s LEU 156 CO 0.11 -0.71 0.14 -0.63 0.23 0.00 0.00 176.35 175.49 3lml s ILE 157 N 3.25 5.31 0.41 -0.59 1.01 -1.26 -4.88 121.20 124.44 3lml s ILE 157 Ca 0.40 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 3lml s ILE 157 Cb -0.14 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 3lml s ILE 157 CO 0.11 0.38 0.94 0.47 0.00 0.00 0.00 174.94 176.84 3lml n ASP 158 N 4.03 0.92 -3.78 3.58 10.43 -1.26 -4.96 116.55 125.51 3lml n ASP 158 Ca -0.15 1.03 -0.22 0.00 2.57 0.00 0.00 54.79 58.02 3lml n ASP 158 Cb 0.52 -1.31 -0.05 0.00 1.84 0.00 0.00 41.12 42.13 3lml n ASP 158 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3lml n SER 159 N 0.69 2.89 -0.29 -2.24 3.41 -0.97 -5.00 113.62 112.11 3lml n SER 159 Ca 0.10 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3lml n SER 159 Cb 0.38 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3lml n SER 159 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lml n ASN 160 N -1.22 0.51 0.00 4.04 5.03 -1.26 -3.41 115.26 118.95 3lml n ASN 160 Ca -0.14 -1.75 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3lml n ASN 160 Cb 0.43 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 3lml n ASN 160 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3lml n TYR 161 N -0.17 0.00 -4.34 3.10 4.01 -1.26 -4.83 117.16 113.66 3lml n TYR 161 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3lml n TYR 161 Cb 0.13 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.06 3lml n TYR 161 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3lml s VAL 162 N -1.21 0.54 -0.21 -0.72 -7.23 -1.22 -2.10 120.40 108.25 3lml s VAL 162 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3lml s VAL 162 Cb 0.00 -2.60 0.09 0.00 0.56 0.00 0.00 36.38 34.43 3lml s VAL 162 CO 0.00 0.00 0.19 -0.44 -0.31 0.00 0.00 175.10 174.54 3lml s SER 163 N -3.36 1.86 0.06 4.85 0.01 0.51 -2.30 113.70 115.34 3lml s SER 163 Ca 0.36 -0.48 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 3lml s SER 163 Cb 0.07 0.16 -0.06 0.00 0.21 0.00 0.00 66.02 66.40 3lml s SER 163 CO 0.15 -0.35 0.75 -0.36 0.41 0.00 0.00 173.24 173.84 3lml s PHE 164 N 2.26 3.76 -0.46 2.43 0.08 -1.26 -1.98 117.98 122.81 3lml s PHE 164 Ca 0.06 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 58.57 3lml s PHE 164 Cb -0.16 -2.79 0.12 0.00 -0.57 0.00 0.00 43.02 39.63 3lml s PHE 164 CO -0.16 0.32 0.23 0.15 -0.10 0.00 0.00 175.22 175.67 3lml s LYS 165 N -0.25 2.02 -0.08 0.44 1.02 -0.48 -4.94 119.74 117.47 3lml s LYS 165 Ca 0.37 -2.10 -0.30 0.00 0.02 0.00 0.00 55.97 53.97 3lml s LYS 165 Cb -0.21 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 3lml s LYS 165 CO 0.23 -1.07 1.27 -0.08 -0.92 0.00 0.00 175.35 174.77 3lml s THR 166 N 0.63 4.15 0.06 2.17 -1.32 -1.26 -3.82 115.64 116.26 3lml s THR 166 Ca 0.12 1.46 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 3lml s THR 166 Cb -0.22 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 3lml s THR 166 CO -0.04 -0.04 0.02 1.07 -2.21 0.00 0.00 174.62 173.42 3lml n THR 167 N 4.87 0.00 0.24 5.08 5.66 -1.26 -5.05 114.28 123.81 3lml n THR 167 Ca 0.12 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 3lml n THR 167 Cb 0.45 -0.19 -0.07 0.00 -1.55 0.00 0.00 70.33 68.98 3lml n THR 167 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3lml h SER 168 N 0.12 -0.54 0.00 1.09 0.02 -1.96 -3.17 113.55 109.11 3lml h SER 168 Ca -0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3lml h SER 168 Cb 0.16 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3lml h SER 168 CO 0.08 -0.15 0.00 0.35 -1.14 0.00 0.00 176.83 175.97 3lml n THR 169 N -5.23 0.42 -2.21 -2.27 -2.24 -1.26 -4.86 114.28 96.63 3lml n THR 169 Ca -0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3lml n THR 169 Cb 0.30 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 3lml n THR 169 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3lml s SER 170 N 0.47 6.69 -0.10 3.42 0.01 -1.20 -4.54 113.70 118.46 3lml s SER 170 Ca 0.00 1.82 -0.03 0.00 1.31 0.00 0.00 55.95 59.05 3lml s SER 170 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.74 3lml s SER 170 CO 0.00 -0.96 0.07 -1.61 0.41 0.00 0.00 173.24 171.14 3lml s GLU 171 N 4.02 0.05 -0.96 12.44 0.41 -1.04 -4.89 118.70 128.72 3lml s GLU 171 Ca 0.65 0.16 -0.24 0.00 -0.41 0.00 0.00 54.97 55.14 3lml s GLU 171 Cb -0.26 -1.08 0.05 0.00 -1.78 0.00 0.00 34.13 31.06 3lml s GLU 171 CO 0.24 -0.46 1.41 -1.17 -0.49 0.00 0.00 175.26 174.79 3lml s LEU 172 N 2.13 3.44 0.18 1.80 0.20 -1.26 -2.29 118.68 122.87 3lml s LEU 172 Ca 0.04 -1.25 -0.14 0.00 0.69 0.00 0.00 54.13 53.46 3lml s LEU 172 Cb -0.14 -2.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.98 3lml s LEU 172 CO -0.06 -1.57 0.58 -1.10 -0.29 0.00 0.00 176.35 173.91 3lml s GLN 173 N 5.12 3.98 0.35 1.98 1.11 -1.26 -5.00 119.66 125.95 3lml s GLN 173 Ca 0.44 0.51 -0.28 0.00 0.01 0.00 0.00 55.36 56.03 3lml s GLN 173 Cb -0.02 -2.85 -0.11 0.00 -1.01 0.00 0.00 33.01 29.02 3lml s GLN 173 CO -0.05 0.43 1.38 1.14 0.01 0.00 0.00 175.29 178.20 3lml s GLN 174 N -2.15 4.24 -0.01 2.91 1.03 -1.26 -4.46 119.66 119.96 3lml s GLN 174 Ca 0.41 2.36 0.02 0.00 0.04 0.00 0.00 55.36 58.19 3lml s GLN 174 Cb -0.14 -3.02 -0.00 0.00 0.03 0.00 0.00 33.01 29.88 3lml s GLN 174 CO 0.20 -0.34 -0.07 0.45 -2.54 0.00 0.00 175.29 172.99 3lml s SER 175 N -0.36 0.88 0.40 12.60 0.15 0.27 -4.95 113.70 122.69 3lml s SER 175 Ca 0.51 -0.13 0.20 0.00 0.70 0.00 0.00 55.95 57.22 3lml s SER 175 Cb -0.42 -0.16 0.82 0.00 -1.71 0.00 0.00 66.02 64.55 3lml s SER 175 CO 0.57 0.07 1.80 0.77 1.20 0.00 0.00 173.24 177.65 3lml h SER 176 N 6.18 0.00 0.00 5.45 4.64 -1.92 -2.97 113.55 124.92 3lml h SER 176 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3lml h SER 176 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3lml h SER 176 CO 0.49 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 3lml n GLY 177 N 0.01 0.04 3.62 -0.77 0.00 -1.26 -4.86 105.19 101.96 3lml n GLY 177 Ca -0.01 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 3lml n GLY 177 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 178 N 0.00 5.28 0.05 2.61 -1.32 -0.89 -4.96 115.64 116.41 3lml s THR 178 Ca 0.00 0.32 -0.05 0.00 -1.21 0.00 0.00 61.69 60.75 3lml s THR 178 Cb 0.00 -3.58 -0.05 0.00 -1.51 0.00 0.00 72.50 67.36 3lml s THR 178 CO 0.00 0.25 0.29 0.28 -2.21 0.00 0.00 174.62 173.23 3lml s THR 179 N 1.64 5.27 0.61 5.08 -1.32 -1.26 -2.08 115.64 123.58 3lml s THR 179 Ca 0.10 0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.50 3lml s THR 179 Cb -0.15 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 3lml s THR 179 CO 0.09 0.24 1.04 -0.76 -2.21 0.00 0.00 174.62 173.02 3lml s LEU 180 N -2.11 3.38 0.13 9.08 1.02 -0.74 -4.83 118.68 124.61 3lml s LEU 180 Ca 0.32 1.66 -0.19 0.00 0.02 0.00 0.00 54.13 55.94 3lml s LEU 180 Cb -0.13 -4.51 0.05 0.00 0.02 0.00 0.00 46.19 41.62 3lml s LEU 180 CO 0.20 -1.10 0.48 0.54 0.02 0.00 0.00 176.35 176.49 3lml s VAL 181 N -2.76 0.04 0.00 -1.59 0.11 0.80 -4.56 120.40 112.45 3lml s VAL 181 Ca 0.60 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3lml s VAL 181 Cb -0.14 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 3lml s VAL 181 CO 0.43 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 3lml n GLY 182 N -0.22 0.71 3.72 6.54 0.00 -1.26 -1.06 105.19 113.62 3lml n GLY 182 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3lml n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lml s GLY 183 N -0.85 2.24 0.03 -0.02 0.00 -1.26 -4.53 107.32 102.93 3lml s GLY 183 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 44.72 45.61 3lml s GLY 183 CO 0.00 2.18 0.42 -0.51 0.00 0.00 0.00 173.10 175.19 3lml s THR 184 N 0.67 0.05 -0.12 0.90 -4.23 -1.12 -4.27 115.64 107.52 3lml s THR 184 Ca 0.60 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 3lml s THR 184 Cb -0.36 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.59 3lml s THR 184 CO 0.33 -0.23 -0.16 1.51 -0.54 0.00 0.00 174.62 175.54 3lml s ASP 185 N -1.84 2.57 0.17 3.99 -4.77 -1.26 -0.13 116.67 115.40 3lml s ASP 185 Ca -0.07 -0.46 -0.30 0.00 -3.30 0.00 0.00 52.55 48.42 3lml s ASP 185 Cb -0.01 -1.15 -0.07 0.00 -1.09 0.00 0.00 42.92 40.59 3lml s ASP 185 CO -0.00 0.00 1.11 0.00 0.70 0.00 0.00 175.17 176.98 3lml s GLN 186 N 1.10 4.58 0.73 2.11 -2.07 -0.64 -4.97 119.66 120.49 3lml s GLN 186 Ca -0.04 1.73 -0.16 0.00 -1.82 0.00 0.00 55.36 55.07 3lml s GLN 186 Cb -0.14 -3.28 -0.04 0.00 -1.09 0.00 0.00 33.01 28.46 3lml s GLN 186 CO -0.04 0.05 0.50 -0.35 -1.32 0.00 0.00 175.29 174.13 3lml n PRO 187 N 2.48 0.27 -2.20 9.60 -0.04 -1.26 -4.33 135.00 139.51 3lml n PRO 187 Ca 0.03 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 3lml n PRO 187 Cb 0.46 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 3lml n PRO 187 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3lml s VAL 188 N -1.93 3.70 0.03 0.52 1.01 -1.26 -4.94 120.40 117.53 3lml s VAL 188 Ca 0.65 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 3lml s VAL 188 Cb -0.34 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3lml s VAL 188 CO 0.59 -0.01 0.17 0.28 0.00 0.00 0.00 175.10 176.12 3lml s THR 189 N 2.60 5.24 0.52 3.92 -1.32 -1.26 -4.97 115.64 120.36 3lml s THR 189 Ca 0.64 -0.35 0.30 0.00 -1.21 0.00 0.00 61.69 61.08 3lml s THR 189 Cb -0.31 -3.50 0.30 0.00 -1.51 0.00 0.00 72.50 67.48 3lml s THR 189 CO 0.26 0.23 1.92 0.78 -2.21 0.00 0.00 174.62 175.60 3lml h ASN 190 N 3.48 0.00 -0.42 8.08 -0.26 -2.02 0.23 115.58 124.67 3lml h ASN 190 Ca -0.47 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.14 3lml h ASN 190 Cb 1.17 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 3lml h ASN 190 CO 0.71 0.00 -0.23 -0.07 -1.06 0.00 0.00 177.43 176.78 3lml h LEU 191 N 0.00 0.96 -0.95 1.61 3.38 -2.01 -3.07 115.31 115.22 3lml h LEU 191 Ca 0.00 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.69 3lml h LEU 191 Cb 0.47 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3lml h LEU 191 CO 0.00 1.14 0.60 0.44 0.09 0.00 0.00 178.44 180.70 3lml h ASP 192 N 0.80 0.92 0.27 -0.43 3.45 -0.85 -0.87 116.42 119.71 3lml h ASP 192 Ca 0.10 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.56 3lml h ASP 192 Cb 0.79 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3lml h ASP 192 CO 0.07 0.55 -0.17 1.88 -1.57 0.00 0.00 179.24 180.00 3lml h TYR 193 N 1.03 0.00 -0.08 4.55 -1.99 -1.59 -0.98 116.97 117.90 3lml h TYR 193 Ca 0.44 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.09 3lml h TYR 193 Cb 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3lml h TYR 193 CO -0.02 0.17 -0.26 1.15 -0.00 0.00 0.00 178.16 179.20 3lml h THR 194 N 0.00 1.41 -0.18 -2.88 2.02 -1.20 -2.95 112.91 109.13 3lml h THR 194 Ca -0.00 -1.63 0.02 0.00 0.77 0.00 0.00 66.41 65.57 3lml h THR 194 Cb 0.34 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3lml h THR 194 CO 0.02 0.47 0.12 1.56 0.37 0.00 0.00 175.52 178.06 3lml h GLN 195 N -0.16 0.17 -0.36 6.66 1.08 -0.86 -1.44 115.11 120.21 3lml h GLN 195 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3lml h GLN 195 Cb 0.89 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 3lml h GLN 195 CO 0.06 0.11 0.17 0.35 -0.95 0.00 0.00 178.83 178.57 3lml h PHE 196 N 0.18 0.52 0.00 2.96 -0.00 -1.11 -1.20 116.94 118.30 3lml h PHE 196 Ca 0.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.98 3lml h PHE 196 Cb 0.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 35.95 35.86 3lml h PHE 196 CO -0.00 0.45 -0.19 -0.07 -0.00 0.00 0.00 178.31 178.50 3lml h LEU 197 N 0.45 0.00 -0.05 0.59 3.38 -1.11 0.62 115.31 119.19 3lml h LEU 197 Ca 0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3lml h LEU 197 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3lml h LEU 197 CO -0.02 0.19 -0.70 0.58 0.09 0.00 0.00 178.44 178.58 3lml h VAL 198 N 0.00 1.36 0.00 1.22 2.07 -0.94 -3.09 116.25 116.86 3lml h VAL 198 Ca -0.00 -2.03 -0.07 0.00 0.82 0.00 0.00 66.70 65.41 3lml h VAL 198 Cb 0.44 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3lml h VAL 198 CO 0.02 0.61 -0.35 0.28 0.02 0.00 0.00 177.57 178.15 3lml h SER 199 N 0.15 0.00 0.07 0.57 0.02 -0.91 -2.76 113.55 110.69 3lml h SER 199 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3lml h SER 199 Cb 1.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 3lml h SER 199 CO 0.14 0.35 -0.01 0.00 -1.14 0.00 0.00 176.83 176.17 3lml h ALA 200 N 1.65 1.24 0.00 3.77 0.00 -0.80 -1.71 119.26 123.41 3lml h ALA 200 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3lml h ALA 200 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3lml h ALA 200 CO 0.05 0.01 -0.29 0.93 0.00 0.00 0.00 179.25 179.95 3lml h GLU 201 N 0.00 0.00 -0.89 0.00 5.08 -1.52 -2.91 114.58 114.33 3lml h GLU 201 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 3lml h GLU 201 Cb 0.05 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.10 3lml h GLU 201 CO 0.00 0.29 0.42 0.41 -1.00 0.00 0.00 179.01 179.13 3lml n GLY 202 N -0.56 3.83 3.18 -3.84 0.00 -0.64 -4.92 105.19 102.23 3lml n GLY 202 Ca -0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 3lml n GLY 202 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 203 N -2.84 0.95 -0.44 1.61 0.41 -1.10 -5.11 118.70 112.18 3lml s GLU 203 Ca 0.50 -0.89 -0.15 0.00 -0.41 0.00 0.00 54.97 54.02 3lml s GLU 203 Cb 0.41 -1.00 0.05 0.00 -1.78 0.00 0.00 34.13 31.81 3lml s GLU 203 CO 0.11 0.24 0.35 0.71 -0.49 0.00 0.00 175.26 176.18 3lml s TYR 204 N -1.03 3.25 0.09 1.61 4.12 -1.26 -5.04 117.35 119.09 3lml s TYR 204 Ca 0.01 -0.87 -0.04 0.00 0.02 0.00 0.00 57.07 56.20 3lml s TYR 204 Cb -0.09 -2.93 -0.03 0.00 -1.52 0.00 0.00 41.96 37.39 3lml s TYR 204 CO 0.02 -0.73 0.07 -0.59 0.02 0.00 0.00 175.55 174.34 3lml s PHE 205 N 1.63 0.48 -0.18 2.71 -0.12 -1.26 -4.98 117.98 116.27 3lml s PHE 205 Ca 0.04 -0.95 -0.18 0.00 -0.05 0.00 0.00 56.93 55.79 3lml s PHE 205 Cb -0.22 -0.29 -0.22 0.00 -0.63 0.00 0.00 43.02 41.66 3lml s PHE 205 CO 0.07 -0.48 0.31 -0.44 -0.05 0.00 0.00 175.22 174.63 3lml h ASP 206 N 2.94 0.13 -4.30 1.98 5.19 -0.44 -3.48 116.42 118.44 3lml h ASP 206 Ca -0.34 -0.66 -0.49 0.00 -0.62 0.00 0.00 57.03 54.93 3lml h ASP 206 Cb 1.17 -0.04 -0.21 0.00 0.18 0.00 0.00 39.33 40.43 3lml h ASP 206 CO 0.61 1.56 -0.80 -0.89 -3.12 0.00 0.00 179.24 176.60 3lml s THR 207 N -2.41 1.43 -0.07 0.35 2.01 -1.08 -2.43 115.64 113.43 3lml s THR 207 Ca -0.26 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.32 3lml s THR 207 Cb 0.05 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.23 3lml s THR 207 CO 0.65 -0.15 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.74 3lml s ILE 208 N -1.26 1.53 -0.08 1.82 2.07 0.43 0.19 121.20 125.89 3lml s ILE 208 Ca 0.03 -0.72 -0.05 0.00 -1.41 0.00 0.00 60.65 58.50 3lml s ILE 208 Cb -0.10 -1.34 -0.04 0.00 0.13 0.00 0.00 42.46 41.11 3lml s ILE 208 CO 0.03 0.44 0.14 0.00 -1.91 0.00 0.00 174.94 173.64 3lml s ALA 209 N 0.43 3.84 -0.56 1.50 0.00 -0.33 -1.92 121.76 124.72 3lml s ALA 209 Ca -0.14 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3lml s ALA 209 Cb -0.16 -1.88 0.19 0.00 0.00 0.00 0.00 23.12 21.27 3lml s ALA 209 CO 0.05 0.66 0.48 0.34 0.00 0.00 0.00 175.76 177.29 3lml n PHE 210 N 1.65 1.40 0.12 0.00 -0.00 -0.60 -4.44 117.46 115.59 3lml n PHE 210 Ca -0.17 -3.85 0.00 0.00 -0.00 0.00 0.00 57.45 53.43 3lml n PHE 210 Cb 0.54 -0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.75 3lml n PHE 210 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3lml n PRO 211 N 2.04 0.59 -2.38 -7.13 -0.04 -1.26 -4.52 135.00 122.30 3lml n PRO 211 Ca 0.25 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 3lml n PRO 211 Cb 0.43 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 3lml n PRO 211 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3lml s VAL 212 N 0.62 3.35 0.49 0.52 0.11 -1.26 -4.77 120.40 119.45 3lml s VAL 212 Ca 0.00 1.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.95 3lml s VAL 212 Cb 0.00 -3.64 -0.07 0.00 -1.53 0.00 0.00 36.38 31.14 3lml s VAL 212 CO 0.00 0.11 1.29 -0.24 -3.33 0.00 0.00 175.10 172.92 3lml n SER 213 N 0.21 2.49 0.00 3.54 2.88 -1.26 -4.81 113.62 116.67 3lml n SER 213 Ca 0.04 1.03 0.02 0.00 -1.33 0.00 0.00 58.87 58.63 3lml n SER 213 Cb 0.47 -1.53 0.10 0.00 -0.75 0.00 0.00 64.21 62.50 3lml n SER 213 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3lml n SER 214 N -0.37 0.00 0.00 -3.46 7.64 -1.26 -3.79 113.62 112.38 3lml n SER 214 Ca 0.09 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3lml n SER 214 Cb 0.42 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3lml n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3lml n SER 215 N -1.37 0.00 -4.59 6.43 7.64 -1.26 -4.58 113.62 115.89 3lml n SER 215 Ca 0.02 0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 3lml n SER 215 Cb 0.04 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 3lml n SER 215 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3lml s ASP 216 N -1.98 5.22 0.12 6.43 -1.08 -1.25 -4.84 116.67 119.28 3lml s ASP 216 Ca 0.00 1.65 -0.03 0.00 -0.52 0.00 0.00 52.55 53.65 3lml s ASP 216 Cb 0.00 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 38.81 3lml s ASP 216 CO 0.00 -2.19 1.26 0.58 0.52 0.00 0.00 175.17 175.35 3lml h VAL 217 N 7.27 1.46 -0.20 1.11 2.07 -1.89 -3.29 116.25 122.78 3lml h VAL 217 Ca -0.36 -2.71 0.06 0.00 0.82 0.00 0.00 66.70 64.50 3lml h VAL 217 Cb 1.24 2.62 -0.07 0.00 -1.52 0.00 0.00 31.29 33.56 3lml h VAL 217 CO 1.01 0.80 -0.26 0.00 0.02 0.00 0.00 177.57 179.14 3lml h ALA 218 N 0.74 -0.20 -0.05 1.67 0.00 -1.99 -1.31 119.26 118.12 3lml h ALA 218 Ca -0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3lml h ALA 218 Cb 1.70 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.95 3lml h ALA 218 CO 0.17 -0.70 -0.42 -0.07 0.00 0.00 0.00 179.25 178.23 3lml h LEU 219 N -0.29 -1.29 -1.04 0.00 3.38 -1.98 0.99 115.31 115.07 3lml h LEU 219 Ca 0.12 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.48 3lml h LEU 219 Cb 0.48 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 3lml h LEU 219 CO -0.37 -0.45 0.61 0.11 0.09 0.00 0.00 178.44 178.44 3lml h LYS 220 N -0.54 0.62 -0.03 1.13 1.57 -1.53 0.21 116.57 118.00 3lml h LYS 220 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3lml h LYS 220 Cb 0.64 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3lml h LYS 220 CO -0.35 0.41 -0.01 1.15 -0.57 0.00 0.00 179.45 180.09 3lml h THR 221 N 0.64 1.29 0.00 -0.16 2.02 0.13 -1.59 112.91 115.24 3lml h THR 221 Ca 0.61 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3lml h THR 221 Cb 1.11 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3lml h THR 221 CO -0.42 0.23 -0.03 0.77 0.37 0.00 0.00 175.52 176.45 3lml h SER 222 N -0.29 0.00 0.06 4.18 4.64 0.51 -1.34 113.55 121.31 3lml h SER 222 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lml h SER 222 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3lml h SER 222 CO 0.00 0.03 -0.03 0.15 -0.87 0.00 0.00 176.83 176.11 3lml h PHE 223 N 0.00 -0.07 -0.84 4.77 3.57 -0.24 -2.15 116.94 121.98 3lml h PHE 223 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3lml h PHE 223 Cb 0.10 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3lml h PHE 223 CO 0.00 0.49 0.55 0.28 -2.23 0.00 0.00 178.31 177.40 3lml h VAL 224 N -0.70 0.91 -0.07 1.41 2.07 -0.52 -0.96 116.25 118.39 3lml h VAL 224 Ca -0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3lml h VAL 224 Cb 0.59 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3lml h VAL 224 CO 0.01 0.14 0.01 0.28 0.02 0.00 0.00 177.57 178.03 3lml h SER 225 N 0.74 0.11 -0.69 0.57 0.02 -1.25 -1.06 113.55 112.00 3lml h SER 225 Ca 0.40 -0.25 0.15 0.00 -0.84 0.00 0.00 61.79 61.25 3lml h SER 225 Cb 0.53 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.93 3lml h SER 225 CO -0.17 0.33 0.07 0.15 -1.14 0.00 0.00 176.83 176.08 3lml h PHE 226 N -0.11 0.08 -0.53 3.45 3.04 -0.52 0.28 116.94 122.63 3lml h PHE 226 Ca 0.02 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 3lml h PHE 226 Cb 0.27 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3lml h PHE 226 CO 0.01 -0.15 -0.01 0.28 -2.02 0.00 0.00 178.31 176.42 3lml h VAL 227 N 0.17 1.26 -0.87 1.41 2.07 -1.09 -2.94 116.25 116.27 3lml h VAL 227 Ca 0.37 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3lml h VAL 227 Cb 0.63 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3lml h VAL 227 CO -0.55 0.40 0.57 0.11 0.02 0.00 0.00 177.57 178.12 3lml h LYS 228 N 0.82 1.08 -1.37 1.57 1.57 0.33 -1.84 116.57 118.72 3lml h LYS 228 Ca 0.15 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3lml h LYS 228 Cb 0.55 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3lml h LYS 228 CO 0.03 0.71 0.00 0.54 -0.57 0.00 0.00 179.45 180.16 3lml n ARG 229 N -4.53 0.28 0.00 3.15 1.74 -0.25 -1.11 116.66 115.95 3lml n ARG 229 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3lml n ARG 229 Cb 0.08 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3lml n ARG 229 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3lml n ARG 231 N 0.74 0.00 0.00 5.56 1.74 -0.69 0.43 116.66 124.43 3lml n ARG 231 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3lml n ARG 231 Cb 0.12 0.00 0.69 0.00 -1.02 0.00 0.00 32.46 32.25 3lml n ARG 231 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3lml n ASP 232 N 0.00 0.00 0.00 0.55 8.00 -0.26 -2.17 116.55 122.66 3lml n ASP 232 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3lml n ASP 232 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3lml n ASP 232 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3lml n GLU 233 N -0.87 0.00 0.01 -1.24 2.13 0.17 -4.78 120.64 116.07 3lml n GLU 233 Ca 0.17 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.10 3lml n GLU 233 Cb 0.08 -0.70 0.02 0.00 0.27 0.00 0.00 31.44 31.11 3lml n GLU 233 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3lml n GLN 234 N -2.42 0.19 -0.74 5.31 -0.06 -0.61 -4.96 117.38 114.09 3lml n GLN 234 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3lml n GLN 234 Cb 0.36 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 3lml n GLN 234 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3lml n GLY 235 N 1.42 0.79 3.41 1.69 0.00 -0.92 -4.99 105.19 106.59 3lml n GLY 235 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3lml n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lml s VAL 236 N -3.00 4.60 -1.12 1.61 1.01 -1.25 -4.88 120.40 117.38 3lml s VAL 236 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3lml s VAL 236 Cb 0.00 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.83 3lml s VAL 236 CO 0.00 -1.25 1.72 -0.54 0.00 0.00 0.00 175.10 175.03 3lml s LYS 237 N 3.29 3.33 0.38 2.72 -0.14 -1.26 -2.89 119.74 125.17 3lml s LYS 237 Ca 0.17 -1.26 0.08 0.00 -1.36 0.00 0.00 55.97 53.59 3lml s LYS 237 Cb -0.21 -5.34 -0.02 0.00 -1.68 0.00 0.00 37.83 30.58 3lml s LYS 237 CO 0.08 -2.77 0.33 0.96 -0.76 0.00 0.00 175.35 173.19 3lml s ILE 238 N 6.79 2.97 -0.03 2.17 -4.36 -1.26 -4.81 121.20 122.67 3lml s ILE 238 Ca 0.57 -1.38 0.04 0.00 -0.26 0.00 0.00 60.65 59.61 3lml s ILE 238 Cb -0.00 -3.06 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 3lml s ILE 238 CO 0.02 -0.07 -0.12 -0.54 0.24 0.00 0.00 174.94 174.47 3lml s LYS 239 N -4.06 2.48 0.10 0.37 -0.14 -1.02 -4.88 119.74 112.59 3lml s LYS 239 Ca 0.45 -0.73 0.09 0.00 -1.36 0.00 0.00 55.97 54.42 3lml s LYS 239 Cb -0.04 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 3lml s LYS 239 CO 0.27 0.61 -0.19 0.20 -0.76 0.00 0.00 175.35 175.49 3lml s GLY 240 N -1.01 1.66 -0.15 -3.33 0.00 -0.12 -0.43 107.32 103.93 3lml s GLY 240 Ca 0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 3lml s GLY 240 CO 0.03 -1.28 0.00 0.14 0.00 0.00 0.00 173.10 171.99 3lml s VAL 241 N -1.09 0.65 0.16 1.40 1.01 -0.81 -0.16 120.40 121.57 3lml s VAL 241 Ca 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3lml s VAL 241 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3lml s VAL 241 CO 0.09 0.01 -0.11 0.68 0.00 0.00 0.00 175.10 175.77 3lml s VAL 242 N 1.82 1.29 -0.14 2.92 -7.23 -1.04 -1.56 120.40 116.48 3lml s VAL 242 Ca 0.01 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.97 3lml s VAL 242 Cb -0.15 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 3lml s VAL 242 CO -0.07 -0.70 0.24 0.00 -0.31 0.00 0.00 175.10 174.26 3lml s ALA 243 N -3.25 3.69 -0.00 1.32 0.00 -1.26 -1.51 121.76 120.75 3lml s ALA 243 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3lml s ALA 243 Cb 0.02 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3lml s ALA 243 CO 0.02 0.28 0.02 0.09 0.00 0.00 0.00 175.76 176.17 3lml n ASN 244 N 2.93 -3.81 -3.16 0.00 3.02 0.07 -4.90 115.26 109.41 3lml n ASN 244 Ca -0.15 1.30 -0.19 0.00 -0.03 0.00 0.00 54.58 55.51 3lml n ASN 244 Cb 0.53 -2.91 -0.06 0.00 -0.61 0.00 0.00 39.78 36.72 3lml n ASN 244 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3lml n PRO 246 N 1.99 0.38 0.00 3.52 -0.04 -1.26 -5.07 135.00 134.53 3lml n PRO 246 Ca -0.03 -2.79 0.09 0.00 -0.04 0.00 0.00 63.50 60.74 3lml n PRO 246 Cb 0.04 -1.55 0.44 0.00 -0.04 0.00 0.00 33.50 32.40 3lml n PRO 246 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lml n ALA 247 N 2.61 1.94 -4.20 0.55 0.00 -1.26 -4.88 120.51 115.28 3lml n ALA 247 Ca 0.24 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 3lml n ALA 247 Cb 0.52 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 3lml n ALA 247 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3lml n ASP 248 N -1.35 -0.26 -3.82 0.00 -0.08 -1.16 -4.92 116.55 104.98 3lml n ASP 248 Ca 0.08 -1.15 -0.15 0.00 -1.51 0.00 0.00 54.79 52.06 3lml n ASP 248 Cb 0.17 -2.26 -0.15 0.00 2.34 0.00 0.00 41.12 41.21 3lml n ASP 248 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3lml s TYR 249 N -4.00 0.11 -1.83 -0.67 5.04 -1.25 -4.55 117.35 110.20 3lml s TYR 249 Ca 0.17 0.06 0.10 0.00 -2.44 0.00 0.00 57.07 54.95 3lml s TYR 249 Cb -0.09 -0.22 0.58 0.00 0.35 0.00 0.00 41.96 42.57 3lml s TYR 249 CO 0.95 -0.07 1.10 -0.85 -1.34 0.00 0.00 175.55 175.34 3lml n GLU 250 N 3.84 0.27 0.00 4.97 0.00 -1.26 -2.02 120.64 126.44 3lml n GLU 250 Ca -0.23 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.10 3lml n GLU 250 Cb 0.53 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.54 3lml n GLU 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lml n GLY 251 N -0.38 0.51 3.23 -1.84 0.00 -1.26 -4.90 105.19 100.54 3lml n GLY 251 Ca 0.07 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3lml n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 252 N -2.22 1.78 -0.20 -0.61 1.09 -0.85 -0.95 121.20 119.23 3lml s ILE 252 Ca 0.24 -0.93 -0.09 0.00 -1.10 0.00 0.00 60.65 58.76 3lml s ILE 252 Cb 0.19 -1.50 -0.05 0.00 -1.06 0.00 0.00 42.46 40.05 3lml s ILE 252 CO 0.43 0.50 0.12 -0.63 -0.10 0.00 0.00 174.94 175.26 3lml s ILE 253 N -0.27 5.22 -0.71 2.92 -1.09 0.78 -0.73 121.20 127.31 3lml s ILE 253 Ca 0.02 0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.43 3lml s ILE 253 Cb -0.11 -3.39 0.18 0.00 -1.58 0.00 0.00 42.46 37.57 3lml s ILE 253 CO 0.01 0.43 0.64 0.21 -1.23 0.00 0.00 174.94 175.00 3lml s ASN 254 N 0.51 6.43 0.11 3.58 3.04 -1.26 -2.48 114.94 124.86 3lml s ASN 254 Ca 0.07 -2.40 -0.31 0.00 0.04 0.00 0.00 52.86 50.26 3lml s ASN 254 Cb -0.12 -2.17 -0.08 0.00 -1.54 0.00 0.00 41.25 37.33 3lml s ASN 254 CO -0.00 -0.65 1.49 -0.69 -3.04 0.00 0.00 177.10 174.21 3lml s VAL 255 N 0.63 3.08 -0.08 -5.21 1.01 -0.57 -0.25 120.40 119.02 3lml s VAL 255 Ca 0.13 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 3lml s VAL 255 Cb -0.18 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3lml s VAL 255 CO -0.05 0.04 -0.11 -1.14 0.00 0.00 0.00 175.10 173.84 3lml n ARG 256 N 4.39 0.24 -3.77 2.72 3.00 -0.65 -0.75 116.66 121.84 3lml n ARG 256 Ca 0.13 0.33 -0.25 0.00 -0.00 0.00 0.00 57.85 58.06 3lml n ARG 256 Cb 0.41 -1.17 -0.01 0.00 0.00 0.00 0.00 32.46 31.69 3lml n ARG 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3lml s ASN 257 N -4.72 4.73 0.00 6.15 4.22 -1.26 -4.72 114.94 119.33 3lml s ASN 257 Ca -0.09 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.50 3lml s ASN 257 Cb 0.01 0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.75 3lml s ASN 257 CO 0.14 -1.03 0.00 0.61 -2.04 0.00 0.00 177.10 174.78 3lml n GLY 258 N -1.75 4.75 3.33 0.45 0.00 -0.74 -4.32 105.19 106.91 3lml n GLY 258 Ca 0.01 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 3lml n GLY 258 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lml s VAL 259 N 0.43 0.00 -0.10 1.61 -7.23 -0.61 -1.65 120.40 112.85 3lml s VAL 259 Ca 0.00 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 3lml s VAL 259 Cb 0.00 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.48 3lml s VAL 259 CO 0.00 0.00 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.80 3lml s THR 260 N -3.77 1.13 0.79 5.32 2.01 0.10 -0.56 115.64 120.66 3lml s THR 260 Ca 0.35 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 3lml s THR 260 Cb 0.03 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.51 3lml s THR 260 CO 0.17 0.38 1.12 -0.76 -0.69 0.00 0.00 174.62 174.83 3lml s LEU 261 N 1.39 2.58 0.23 4.42 1.43 0.12 -0.43 118.68 128.41 3lml s LEU 261 Ca -0.00 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 3lml s LEU 261 Cb -0.13 -3.70 0.32 0.00 0.03 0.00 0.00 46.19 42.70 3lml s LEU 261 CO -0.05 -1.86 1.80 -0.09 0.23 0.00 0.00 176.35 176.38 3lml h ARG 262 N -1.02 0.67 0.00 1.70 2.43 -1.45 0.85 114.38 117.56 3lml h ARG 262 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3lml h ARG 262 Cb 1.29 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3lml h ARG 262 CO 0.62 0.44 0.00 -0.40 -1.51 0.00 0.00 179.97 179.12 3lml n ASP 263 N -4.80 0.00 0.00 -3.80 5.68 -1.26 -4.80 116.55 107.57 3lml n ASP 263 Ca 0.11 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 3lml n ASP 263 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3lml n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lml n GLY 264 N -0.17 1.32 3.74 6.12 0.00 0.29 -5.03 105.19 111.47 3lml n GLY 264 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3lml n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lml s THR 265 N -2.66 2.29 -0.23 2.61 2.01 -1.25 -4.72 115.64 113.67 3lml s THR 265 Ca 0.00 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 3lml s THR 265 Cb 0.00 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3lml s THR 265 CO 0.00 0.04 0.15 -0.63 -0.69 0.00 0.00 174.62 173.49 3lml s ILE 266 N 0.16 5.34 -0.27 1.82 1.01 -1.26 -0.70 121.20 127.30 3lml s ILE 266 Ca 0.63 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 3lml s ILE 266 Cb -0.46 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.54 3lml s ILE 266 CO 0.44 0.37 0.02 -0.76 0.00 0.00 0.00 174.94 175.01 3lml s LEU 267 N 0.91 3.49 0.61 2.97 1.43 0.28 -5.02 118.68 123.34 3lml s LEU 267 Ca 0.07 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 3lml s LEU 267 Cb -0.13 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3lml s LEU 267 CO 0.03 -0.14 1.10 -1.61 0.23 0.00 0.00 176.35 175.97 3lml s GLU 268 N 1.46 3.08 0.31 1.70 2.02 -1.26 -1.57 118.70 124.43 3lml s GLU 268 Ca 0.03 1.42 0.07 0.00 0.02 0.00 0.00 54.97 56.51 3lml s GLU 268 Cb -0.16 -1.98 0.82 0.00 0.10 0.00 0.00 34.13 32.90 3lml s GLU 268 CO -0.00 -1.03 1.69 -1.00 0.02 0.00 0.00 175.26 174.93 3lml h PRO 269 N 0.49 0.39 0.00 0.39 0.13 -1.86 1.08 132.00 132.61 3lml h PRO 269 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3lml h PRO 269 Cb 1.25 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3lml h PRO 269 CO 0.56 0.25 0.00 -2.39 -0.23 0.00 0.00 178.00 176.19 3lml n HIS 270 N -5.04 0.33 -0.10 1.56 1.44 -1.26 -1.03 115.22 111.12 3lml n HIS 270 Ca 0.25 0.16 -0.17 0.00 -2.01 0.00 0.00 57.72 55.95 3lml n HIS 270 Cb 0.74 -0.76 -0.13 0.00 0.12 0.00 0.00 29.99 29.95 3lml n HIS 270 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3lml n GLN 271 N -1.83 0.67 0.17 -1.40 6.02 0.36 -4.17 117.38 117.20 3lml n GLN 271 Ca -0.00 0.15 0.17 0.00 -0.01 0.00 0.00 57.00 57.31 3lml n GLN 271 Cb 0.04 -1.56 0.79 0.00 1.02 0.00 0.00 30.24 30.53 3lml n GLN 271 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3lml h VAL 272 N 0.01 0.55 -0.98 5.09 2.07 0.16 -1.36 116.25 121.79 3lml h VAL 272 Ca -0.54 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.17 3lml h VAL 272 Cb 1.97 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 3lml h VAL 272 CO -0.04 0.00 0.61 -0.37 0.02 0.00 0.00 177.57 177.79 3lml h VAL 273 N 0.00 0.71 -0.34 2.57 -1.51 -1.59 -0.08 116.25 116.02 3lml h VAL 273 Ca 0.11 -0.23 0.07 0.00 -1.23 0.00 0.00 66.70 65.43 3lml h VAL 273 Cb 0.57 -0.01 -0.08 0.00 -2.13 0.00 0.00 31.29 29.64 3lml h VAL 273 CO -0.00 0.12 -0.20 0.00 -1.23 0.00 0.00 177.57 176.25 3lml h ALA 274 N 1.62 0.02 0.76 5.19 0.00 -1.51 0.51 119.26 125.86 3lml h ALA 274 Ca 0.54 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 3lml h ALA 274 Cb 0.97 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.24 3lml h ALA 274 CO -0.30 -0.59 -0.37 2.35 0.00 0.00 0.00 179.25 180.34 3lml h TRP 275 N -0.16 -0.95 -1.10 0.00 7.01 -1.18 -2.83 115.95 116.73 3lml h TRP 275 Ca 0.17 -0.02 0.31 0.00 2.11 0.00 0.00 58.89 61.46 3lml h TRP 275 Cb 0.42 0.31 -0.11 0.00 -2.10 0.00 0.00 29.16 27.69 3lml h TRP 275 CO -0.41 -0.57 0.70 0.28 -2.79 0.00 0.00 178.44 175.65 3lml h VAL 276 N -1.14 0.40 0.52 2.65 2.07 -0.96 0.31 116.25 120.10 3lml h VAL 276 Ca -0.10 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3lml h VAL 276 Cb 0.80 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3lml h VAL 276 CO 0.17 0.06 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 3lml h ALA 277 N 1.65 -0.76 0.00 1.67 0.00 0.23 0.55 119.26 122.61 3lml h ALA 277 Ca 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3lml h ALA 277 Cb 1.77 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 3lml h ALA 277 CO -0.37 -0.93 -0.07 0.78 0.00 0.00 0.00 179.25 178.66 3lml h GLY 278 N -0.75 0.00 0.79 0.00 0.00 -0.34 0.57 103.07 103.34 3lml h GLY 278 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3lml h GLY 278 CO 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.59 3lml h ALA 279 N 1.93 0.24 -0.15 3.60 0.00 0.38 -1.70 119.26 123.56 3lml h ALA 279 Ca -0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3lml h ALA 279 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3lml h ALA 279 CO 0.01 -0.01 -0.56 0.22 0.00 0.00 0.00 179.25 178.91 3lml h ASP 280 N 0.05 0.52 0.77 0.00 1.82 -0.37 -2.47 116.42 116.74 3lml h ASP 280 Ca 0.05 -0.28 -0.07 0.00 -0.39 0.00 0.00 57.03 56.34 3lml h ASP 280 Cb 0.45 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 3lml h ASP 280 CO 0.01 0.97 -0.32 0.00 -1.61 0.00 0.00 179.24 178.30 3lml h ALA 281 N 1.04 1.06 0.00 -0.78 0.00 -0.84 -3.17 119.26 116.57 3lml h ALA 281 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3lml h ALA 281 Cb 1.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3lml h ALA 281 CO 0.10 0.40 -1.43 -1.13 0.00 0.00 0.00 179.25 177.19 3lml n SER 282 N -3.56 0.49 -4.62 0.00 3.41 -0.64 -1.99 113.62 106.71 3lml n SER 282 Ca -0.00 0.19 -0.44 0.00 -0.26 0.00 0.00 58.87 58.35 3lml n SER 282 Cb 0.46 1.10 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 3lml n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lml n ALA 283 N -2.22 0.16 -1.12 7.33 0.00 -0.94 -4.59 120.51 119.13 3lml n ALA 283 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3lml n ALA 283 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3lml n ALA 283 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3lml n SER 284 N 1.19 0.00 0.00 0.00 2.88 -1.26 -4.94 113.62 111.50 3lml n SER 284 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3lml n SER 284 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3lml n SER 284 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3lml n LEU 286 N 0.00 0.00 -4.65 2.46 4.77 -1.26 -4.60 117.00 113.72 3lml n LEU 286 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3lml n LEU 286 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3lml n LEU 286 CO 0.00 0.00 -0.33 -0.54 -1.33 0.00 0.00 177.39 175.19 3lml s LYS 287 N 0.00 2.90 0.42 3.23 3.01 -1.26 -5.12 119.74 122.92 3lml s LYS 287 Ca 0.00 -0.46 -0.02 0.00 -1.01 0.00 0.00 55.97 54.48 3lml s LYS 287 Cb 0.00 -2.72 0.09 0.00 -1.01 0.00 0.00 37.83 34.18 3lml s LYS 287 CO 0.00 0.69 0.58 0.45 0.51 0.00 0.00 175.35 177.57 3lml n SER 288 N 2.13 0.53 -0.42 2.83 2.88 -1.26 -4.92 113.62 115.38 3lml n SER 288 Ca -0.18 -1.51 0.05 0.00 -1.33 0.00 0.00 58.87 55.90 3lml n SER 288 Cb 0.53 -0.39 0.07 0.00 -0.75 0.00 0.00 64.21 63.67 3lml n SER 288 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3lml n ASN 289 N -3.09 2.11 -4.77 -3.46 5.03 -1.26 -4.90 115.26 104.92 3lml n ASN 289 Ca 0.09 -1.60 -0.41 0.00 0.87 0.00 0.00 54.58 53.53 3lml n ASN 289 Cb 0.31 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 39.00 3lml n ASN 289 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3lml s THR 290 N -0.84 2.13 -1.82 3.41 2.01 -1.26 -2.45 115.64 116.82 3lml s THR 290 Ca 0.13 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3lml s THR 290 Cb 0.08 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3lml s THR 290 CO 0.12 0.03 0.00 0.49 -0.69 0.00 0.00 174.62 174.56 3lml n PHE 291 N 0.91 -0.52 -3.13 4.92 3.72 -0.58 -4.96 117.46 117.80 3lml n PHE 291 Ca 0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.03 3lml n PHE 291 Cb 0.39 -3.53 -0.05 0.00 -0.94 0.00 0.00 39.48 35.35 3lml n PHE 291 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3lml s VAL 292 N -2.85 5.04 0.29 -4.37 1.01 -1.03 -4.77 120.40 113.72 3lml s VAL 292 Ca 0.00 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 3lml s VAL 292 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3lml s VAL 292 CO 0.00 0.31 0.91 -0.54 0.00 0.00 0.00 175.10 175.77 3lml s LYS 293 N 0.53 4.59 -0.91 2.72 1.02 -1.26 -1.36 119.74 125.07 3lml s LYS 293 Ca 0.34 1.29 -0.17 0.00 0.02 0.00 0.00 55.97 57.45 3lml s LYS 293 Cb -0.17 -2.92 0.17 0.00 -0.52 0.00 0.00 37.83 34.38 3lml s LYS 293 CO 0.16 0.35 1.01 -0.47 -0.92 0.00 0.00 175.35 175.49 3lml s TYR 294 N -1.50 3.38 0.03 3.18 6.14 -0.06 -4.97 117.35 123.55 3lml s TYR 294 Ca 0.47 -1.65 -0.37 0.00 0.64 0.00 0.00 57.07 56.15 3lml s TYR 294 Cb -0.20 -4.11 -0.16 0.00 0.42 0.00 0.00 41.96 37.91 3lml s TYR 294 CO 0.25 -1.30 1.43 -3.47 0.64 0.00 0.00 175.55 173.10 3lml n ASP 295 N 5.53 1.88 0.00 4.32 2.03 -1.26 -1.74 116.55 127.31 3lml n ASP 295 Ca 0.21 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.62 3lml n ASP 295 Cb 0.48 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 3lml n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lml n GLY 296 N 2.89 0.76 3.72 0.27 0.00 -1.26 -5.05 105.19 106.51 3lml n GLY 296 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3lml n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml s ALA 297 N -2.21 3.66 -1.06 4.61 0.00 -0.71 -1.11 121.76 124.94 3lml s ALA 297 Ca 0.00 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.46 3lml s ALA 297 Cb 0.00 -2.15 -0.19 0.00 0.00 0.00 0.00 23.12 20.78 3lml s ALA 297 CO 0.00 0.15 0.87 0.44 0.00 0.00 0.00 175.76 177.22 3lml n ILE 298 N 3.54 0.00 -3.60 0.00 -5.35 0.42 -3.96 119.36 110.42 3lml n ILE 298 Ca -0.16 -0.06 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 3lml n ILE 298 Cb 0.52 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 3lml n ILE 298 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3lml s ASP 299 N -2.81 -0.41 -0.42 7.28 2.15 -1.13 -4.78 116.67 116.56 3lml s ASP 299 Ca 0.09 0.58 -0.20 0.00 0.43 0.00 0.00 52.55 53.45 3lml s ASP 299 Cb 0.15 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.31 3lml s ASP 299 CO 0.78 -0.28 0.59 0.00 -0.17 0.00 0.00 175.17 176.09 3lml s ALA 300 N -0.62 3.38 -0.19 3.66 0.00 -1.26 0.02 121.76 126.75 3lml s ALA 300 Ca -0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3lml s ALA 300 Cb -0.02 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3lml s ALA 300 CO -0.01 -1.66 -0.13 0.95 0.00 0.00 0.00 175.76 174.91 3lml s THR 301 N 2.64 2.69 0.78 0.00 -4.23 -0.66 -2.58 115.64 114.29 3lml s THR 301 Ca 0.20 -0.73 -0.10 0.00 -1.18 0.00 0.00 61.69 59.88 3lml s THR 301 Cb -0.15 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.60 3lml s THR 301 CO 0.17 0.49 1.13 -2.16 -0.54 0.00 0.00 174.62 173.71 3lml s PRO 302 N 1.24 1.96 0.31 3.99 0.04 -1.26 -1.79 135.00 139.48 3lml s PRO 302 Ca 0.03 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.01 3lml s PRO 302 Cb -0.14 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3lml s PRO 302 CO -0.06 -1.52 0.50 1.03 0.04 0.00 0.00 177.00 176.99 3lml s ARG 303 N -5.48 3.49 -0.05 4.56 0.52 -1.06 -4.67 118.95 116.26 3lml s ARG 303 Ca 0.62 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.49 3lml s ARG 303 Cb -0.10 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.65 3lml s ARG 303 CO 0.48 0.23 -0.17 -0.51 0.02 0.00 0.00 175.30 175.35 3lml s LEU 304 N -4.10 1.88 0.83 2.53 1.02 -1.26 -5.09 118.68 114.50 3lml s LEU 304 Ca 0.39 -0.36 -0.11 0.00 0.02 0.00 0.00 54.13 54.07 3lml s LEU 304 Cb -0.10 -0.99 0.09 0.00 0.02 0.00 0.00 46.19 45.22 3lml s LEU 304 CO 0.34 0.13 1.09 0.00 0.02 0.00 0.00 176.35 177.93 3lml s ALA 305 N 0.19 1.91 0.25 4.21 0.00 -1.26 -4.61 121.76 122.45 3lml s ALA 305 Ca -0.07 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3lml s ALA 305 Cb -0.13 -3.22 0.49 0.00 0.00 0.00 0.00 23.12 20.25 3lml s ALA 305 CO 0.03 -2.05 1.68 -0.91 0.00 0.00 0.00 175.76 174.51 3lml h ASN 306 N -1.33 -0.01 -0.48 0.00 4.21 -2.00 0.25 115.58 116.21 3lml h ASN 306 Ca -0.47 0.16 -0.11 0.00 1.21 0.00 0.00 56.30 57.09 3lml h ASN 306 Cb 1.26 0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 38.66 3lml h ASN 306 CO 0.53 -0.06 -0.12 -2.24 -1.29 0.00 0.00 177.43 174.26 3lml h ASP 307 N 0.25 0.96 -0.35 5.81 3.04 -1.98 0.11 116.42 124.25 3lml h ASP 307 Ca 0.43 -0.31 -0.07 0.00 -3.24 0.00 0.00 57.03 53.84 3lml h ASP 307 Cb 0.76 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 3lml h ASP 307 CO -0.54 1.08 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.38 3lml h GLU 308 N 0.86 0.65 0.53 4.15 5.08 -1.39 0.50 114.58 124.94 3lml h GLU 308 Ca 0.13 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3lml h GLU 308 Cb 0.66 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.87 3lml h GLU 308 CO 0.05 0.78 -0.25 0.00 -1.00 0.00 0.00 179.01 178.59 3lml h ALA 309 N 0.84 -0.71 -1.00 3.43 0.00 -0.50 0.54 119.26 121.87 3lml h ALA 309 Ca 0.10 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3lml h ALA 309 Cb 0.52 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3lml h ALA 309 CO 0.03 -0.80 0.61 1.49 0.00 0.00 0.00 179.25 180.58 3lml h GLU 310 N -0.90 0.69 0.41 0.00 4.81 -0.79 0.18 114.58 118.98 3lml h GLU 310 Ca -0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3lml h GLU 310 Cb 0.61 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3lml h GLU 310 CO 0.12 0.46 -0.20 1.49 -0.73 0.00 0.00 179.01 180.15 3lml h GLU 311 N 0.71 -0.53 -0.25 1.92 4.57 -0.44 -2.35 114.58 118.21 3lml h GLU 311 Ca 0.57 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.85 3lml h GLU 311 Cb 0.95 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 3lml h GLU 311 CO -0.36 -0.29 -0.25 0.00 -1.18 0.00 0.00 179.01 176.93 3lml h ALA 312 N -0.14 -0.14 -0.98 2.92 0.00 0.27 -0.95 119.26 120.24 3lml h ALA 312 Ca -0.06 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3lml h ALA 312 Cb 0.49 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 3lml h ALA 312 CO 0.09 -0.68 0.61 -0.07 0.00 0.00 0.00 179.25 179.21 3lml h LEU 313 N -0.25 0.89 -2.34 0.00 3.38 -0.78 0.21 115.31 116.41 3lml h LEU 313 Ca 0.14 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3lml h LEU 313 Cb 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3lml h LEU 313 CO -0.40 0.47 0.02 -0.61 0.09 0.00 0.00 178.44 178.01 3lml h GLN 314 N 0.96 0.00 -0.64 1.13 5.75 -0.61 -0.52 115.11 121.18 3lml h GLN 314 Ca 0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 3lml h GLN 314 Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 3lml h GLN 314 CO -0.27 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.00 3lml n ASN 315 N -4.01 4.99 -3.01 -0.69 5.03 0.69 -4.95 115.26 113.32 3lml n ASN 315 Ca -0.03 -2.59 -0.16 0.00 0.87 0.00 0.00 54.58 52.68 3lml n ASN 315 Cb 0.11 -0.61 0.07 0.00 -1.02 0.00 0.00 39.78 38.33 3lml n ASN 315 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lml n GLY 316 N 0.97 -0.24 3.58 7.41 0.00 -0.20 -4.91 105.19 111.80 3lml n GLY 316 Ca 0.26 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 3lml n GLY 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 317 N -5.46 3.22 -0.70 1.61 2.02 -0.97 -3.62 118.70 114.79 3lml s GLU 317 Ca 0.17 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.44 3lml s GLU 317 Cb -0.08 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.41 3lml s GLU 317 CO 0.60 0.50 1.11 0.12 0.02 0.00 0.00 175.26 177.61 3lml s PHE 318 N -0.35 2.50 0.06 1.61 2.19 0.65 -4.45 117.98 120.20 3lml s PHE 318 Ca 0.06 -0.34 0.04 0.00 0.33 0.00 0.00 56.93 57.01 3lml s PHE 318 Cb -0.12 -4.45 -0.04 0.00 -1.31 0.00 0.00 43.02 37.10 3lml s PHE 318 CO 0.02 -1.84 0.01 0.14 1.83 0.00 0.00 175.22 175.38 3lml s VAL 319 N 4.80 4.10 -0.14 3.12 -7.23 -1.26 -1.64 120.40 122.15 3lml s VAL 319 Ca 0.28 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 3lml s VAL 319 Cb -0.13 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 3lml s VAL 319 CO 0.12 0.21 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.29 3lml s LEU 320 N -2.05 3.09 0.04 1.32 1.43 -1.26 -0.98 118.68 120.27 3lml s LEU 320 Ca 0.24 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3lml s LEU 320 Cb -0.12 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3lml s LEU 320 CO 0.16 0.20 -0.26 0.42 0.23 0.00 0.00 176.35 177.09 3lml s THR 321 N 0.18 2.12 -0.18 5.49 -4.23 -0.35 -4.81 115.64 113.87 3lml s THR 321 Ca -0.04 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 3lml s THR 321 Cb -0.14 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 3lml s THR 321 CO 0.04 0.37 0.44 0.12 -0.54 0.00 0.00 174.62 175.05 3lml s PHE 322 N -0.80 3.41 -0.49 3.99 5.36 -1.26 -1.31 117.98 126.87 3lml s PHE 322 Ca 0.12 0.71 -0.16 0.00 -0.96 0.00 0.00 56.93 56.64 3lml s PHE 322 Cb -0.10 -2.56 0.09 0.00 -0.34 0.00 0.00 43.02 40.11 3lml s PHE 322 CO 0.02 0.01 0.42 0.34 -1.46 0.00 0.00 175.22 174.56 3lml s ASP 323 N 0.96 6.16 0.57 6.13 2.15 -0.10 -4.92 116.67 127.63 3lml s ASP 323 Ca 0.22 -1.45 0.29 0.00 0.43 0.00 0.00 52.55 52.03 3lml s ASP 323 Cb -0.15 -2.19 1.74 0.00 -0.30 0.00 0.00 42.92 42.02 3lml s ASP 323 CO 0.09 -0.71 2.22 0.00 -0.17 0.00 0.00 175.17 176.60 3lml h ALA 324 N 8.79 1.49 0.74 3.66 0.00 -1.96 0.43 119.26 132.41 3lml h ALA 324 Ca -0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3lml h ALA 324 Cb 1.11 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3lml h ALA 324 CO 0.92 0.03 -0.36 -0.09 0.00 0.00 0.00 179.25 179.75 3lml h ARG 325 N 0.00 -0.96 -0.01 0.00 9.65 -1.95 -3.15 114.38 117.96 3lml h ARG 325 Ca -0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3lml h ARG 325 Cb 0.07 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3lml h ARG 325 CO 0.00 -0.64 -0.15 -3.47 2.80 0.00 0.00 179.97 178.51 3lml n ASP 326 N -4.70 0.98 -3.58 -3.80 2.03 -1.16 -4.98 116.55 101.34 3lml n ASP 326 Ca -0.12 -0.98 -0.23 0.00 0.52 0.00 0.00 54.79 53.98 3lml n ASP 326 Cb 0.39 0.05 0.02 0.00 -0.72 0.00 0.00 41.12 40.86 3lml n ASP 326 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lml n LYS 327 N -0.52 -1.30 -3.50 -0.67 5.02 0.15 -5.01 118.16 112.33 3lml n LYS 327 Ca 0.15 0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 57.06 3lml n LYS 327 Cb 0.32 -3.91 -0.05 0.00 -0.02 0.00 0.00 35.03 31.37 3lml n LYS 327 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lml s ALA 328 N -3.22 -1.74 -0.09 7.82 0.00 -1.11 -4.96 121.76 118.47 3lml s ALA 328 Ca 0.23 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 3lml s ALA 328 Cb -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3lml s ALA 328 CO 0.85 -0.49 0.07 0.54 0.00 0.00 0.00 175.76 176.73 3lml s VAL 329 N -1.95 4.83 0.17 0.00 0.11 -1.25 -0.92 120.40 121.39 3lml s VAL 329 Ca -0.07 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3lml s VAL 329 Cb -0.00 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 3lml s VAL 329 CO 0.02 0.57 0.10 -0.72 -3.33 0.00 0.00 175.10 171.75 3lml s TYR 330 N -0.99 1.03 -0.06 1.54 1.13 -0.43 -0.88 117.35 118.70 3lml s TYR 330 Ca 0.15 -1.32 -0.30 0.00 -1.41 0.00 0.00 57.07 54.20 3lml s TYR 330 Cb -0.12 -0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 3lml s TYR 330 CO 0.05 -0.59 1.19 0.08 -2.51 0.00 0.00 175.55 173.76 3lml s VAL 331 N -4.11 4.28 0.19 -3.49 1.01 -0.46 -1.21 120.40 116.61 3lml s VAL 331 Ca 0.33 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.85 3lml s VAL 331 Cb 0.07 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3lml s VAL 331 CO 0.08 -0.00 1.61 -0.33 0.00 0.00 0.00 175.10 176.46 3lml h GLU 332 N 7.45 0.89 -1.32 2.72 4.39 -1.39 -1.55 114.58 125.76 3lml h GLU 332 Ca -0.34 -0.35 0.14 0.00 0.34 0.00 0.00 59.36 59.16 3lml h GLU 332 Cb 1.16 -0.05 -0.28 0.00 -0.10 0.00 0.00 28.75 29.49 3lml h GLU 332 CO 0.88 1.00 0.42 -1.14 -1.16 0.00 0.00 179.01 179.01 3lml s GLN 333 N -4.70 0.30 -1.14 2.33 0.74 -1.26 -4.69 119.66 111.24 3lml s GLN 333 Ca -0.10 0.56 -0.22 0.00 0.05 0.00 0.00 55.36 55.64 3lml s GLN 333 Cb 0.13 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 3lml s GLN 333 CO 0.85 -0.07 1.83 0.34 -0.55 0.00 0.00 175.29 177.69 3lml s ASP 334 N 1.50 5.68 0.40 6.67 2.15 -1.26 -4.67 116.67 127.14 3lml s ASP 334 Ca -0.07 -1.64 0.08 0.00 0.43 0.00 0.00 52.55 51.34 3lml s ASP 334 Cb -0.04 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.93 3lml s ASP 334 CO -0.15 -2.35 0.01 -0.76 -0.17 0.00 0.00 175.17 171.75 3lml s LEU 335 N 8.42 2.88 0.40 -1.34 1.43 -1.26 -0.97 118.68 128.24 3lml s LEU 335 Ca 0.62 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3lml s LEU 335 Cb -0.01 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3lml s LEU 335 CO 0.06 -0.41 0.03 0.54 0.23 0.00 0.00 176.35 176.81 3lml s ASN 336 N -3.71 3.44 0.39 2.29 6.03 -0.31 -4.67 114.94 118.40 3lml s ASN 336 Ca 0.35 -1.44 0.25 0.00 -1.03 0.00 0.00 52.86 50.99 3lml s ASN 336 Cb 0.08 -0.10 1.36 0.00 -3.03 0.00 0.00 41.25 39.56 3lml s ASN 336 CO 0.18 -0.59 1.76 0.77 -2.03 0.00 0.00 177.10 177.19 3lml h SER 337 N 1.79 0.00 -2.39 3.54 4.64 -0.99 -3.42 113.55 116.73 3lml h SER 337 Ca -0.43 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 3lml h SER 337 Cb 1.26 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.38 3lml h SER 337 CO 0.75 0.00 1.11 -0.11 -0.87 0.00 0.00 176.83 177.71 3lml n LEU 338 N -2.39 3.91 0.05 5.97 7.94 -1.19 -2.98 117.00 128.31 3lml n LEU 338 Ca -0.02 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3lml n LEU 338 Cb 0.07 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.51 3lml n LEU 338 CO 0.11 0.11 -0.13 0.35 -1.11 0.00 0.00 177.39 176.73 3lml n THR 339 N 4.82 0.38 -1.59 1.96 -2.24 -1.26 -4.65 114.28 111.70 3lml n THR 339 Ca 0.19 0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.77 3lml n THR 339 Cb 0.36 -1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 3lml n THR 339 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3lml s THR 340 N -2.00 3.03 0.55 4.28 2.01 -1.26 -4.94 115.64 117.30 3lml s THR 340 Ca 0.00 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 3lml s THR 340 Cb 0.00 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3lml s THR 340 CO 0.00 -0.07 0.82 -0.36 -0.69 0.00 0.00 174.62 174.32 3lml s PHE 341 N 12.49 3.19 0.37 4.92 0.08 -1.26 -5.02 117.98 132.75 3lml s PHE 341 Ca 0.95 0.44 -0.15 0.00 0.12 0.00 0.00 56.93 58.29 3lml s PHE 341 Cb -0.16 -2.62 0.05 0.00 -0.57 0.00 0.00 43.02 39.72 3lml s PHE 341 CO 0.22 -0.70 0.76 0.45 -0.10 0.00 0.00 175.22 175.85 3lml s SER 342 N -4.30 0.05 0.14 1.36 0.15 0.08 -5.00 113.70 106.19 3lml s SER 342 Ca 0.53 -1.13 -0.32 0.00 0.70 0.00 0.00 55.95 55.73 3lml s SER 342 Cb -0.10 0.83 -0.09 0.00 -1.71 0.00 0.00 66.02 64.94 3lml s SER 342 CO 0.42 -1.63 1.55 0.07 1.20 0.00 0.00 173.24 174.85 3lml h LYS 343 N 2.01 -0.37 0.17 5.44 2.10 -1.99 -3.19 116.57 120.73 3lml h LYS 343 Ca -0.31 0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 3lml h LYS 343 Cb 1.25 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 3lml h LYS 343 CO 0.39 -0.25 -0.08 0.93 -2.00 0.00 0.00 179.45 178.44 3lml h GLU 344 N -0.39 -0.22 -5.68 0.07 4.39 -2.03 -3.38 114.58 107.35 3lml h GLU 344 Ca 0.09 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.34 3lml h GLU 344 Cb 0.60 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 3lml h GLU 344 CO -0.60 -0.04 1.44 0.21 -1.16 0.00 0.00 179.01 178.86 3lml s LYS 345 N -2.46 3.08 1.28 2.33 2.20 -1.21 -4.95 119.74 120.02 3lml s LYS 345 Ca -0.06 -1.33 -0.16 0.00 -0.36 0.00 0.00 55.97 54.06 3lml s LYS 345 Cb 0.00 -5.33 0.33 0.00 -1.51 0.00 0.00 37.83 31.32 3lml s LYS 345 CO 0.18 -3.21 0.98 -1.12 -0.36 0.00 0.00 175.35 171.82 3lml s SER 346 N 5.81 -0.02 0.43 1.43 0.01 -1.21 -0.74 113.70 119.41 3lml s SER 346 Ca 0.62 1.33 0.25 0.00 1.31 0.00 0.00 55.95 59.46 3lml s SER 346 Cb 0.00 -2.02 0.57 0.00 0.21 0.00 0.00 66.02 64.78 3lml s SER 346 CO 0.08 -4.79 1.69 -1.28 0.41 0.00 0.00 173.24 169.35 3lml h SER 347 N -3.02 0.00 0.00 2.44 0.87 -1.92 -3.23 113.55 108.68 3lml h SER 347 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3lml h SER 347 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3lml h SER 347 CO 0.43 0.00 0.05 0.11 -0.53 0.00 0.00 176.83 176.89 3lml h LYS 348 N 0.00 0.00 0.00 2.24 1.57 -1.97 -1.26 116.57 117.15 3lml h LYS 348 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3lml h LYS 348 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3lml h LYS 348 CO 0.00 0.00 -0.52 0.74 -0.57 0.00 0.00 179.45 179.10 3lml h PHE 349 N 0.00 0.00 -0.86 -1.35 0.05 -1.93 -3.03 116.94 109.82 3lml h PHE 349 Ca 0.00 0.00 0.20 0.00 3.82 0.00 0.00 57.97 61.99 3lml h PHE 349 Cb 0.09 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 37.98 3lml h PHE 349 CO 0.00 0.52 0.58 -0.09 -0.18 0.00 0.00 178.31 179.14 3lml h ARG 350 N 0.00 0.35 -6.68 1.51 2.43 -1.48 -3.40 114.38 107.11 3lml h ARG 350 Ca -0.01 -0.02 -0.50 0.00 -0.81 0.00 0.00 59.98 58.64 3lml h ARG 350 Cb 1.03 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3lml h ARG 350 CO 0.07 0.23 0.35 0.15 -1.51 0.00 0.00 179.97 179.27 3lml s LYS 351 N -5.38 4.80 0.18 0.20 1.02 -1.15 -1.17 119.74 118.25 3lml s LYS 351 Ca -0.08 1.48 0.26 0.00 0.02 0.00 0.00 55.97 57.64 3lml s LYS 351 Cb 0.22 -3.32 0.69 0.00 -0.52 0.00 0.00 37.83 34.91 3lml s LYS 351 CO 0.78 0.41 1.65 0.09 -0.92 0.00 0.00 175.35 177.35 3lml n ASN 352 N 1.97 0.76 -0.33 2.83 5.03 -0.14 -2.44 115.26 122.94 3lml n ASN 352 Ca -0.00 0.44 -0.04 0.00 0.87 0.00 0.00 54.58 55.85 3lml n ASN 352 Cb 0.48 -0.51 0.10 0.00 -1.02 0.00 0.00 39.78 38.82 3lml n ASN 352 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3lml h LYS 353 N 0.00 1.25 0.00 3.52 3.64 -1.92 0.21 116.57 123.27 3lml h LYS 353 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3lml h LYS 353 Cb 0.73 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3lml h LYS 353 CO 0.00 0.91 -0.00 0.82 -2.27 0.00 0.00 179.45 178.91 3lml h ILE 354 N 1.25 1.72 -0.52 2.00 5.03 -1.81 -3.28 117.51 121.91 3lml h ILE 354 Ca 0.31 -2.13 0.06 0.00 -0.12 0.00 0.00 64.86 62.98 3lml h ILE 354 Cb 0.03 3.18 -0.08 0.00 -3.03 0.00 0.00 36.82 36.91 3lml h ILE 354 CO -0.05 0.55 -0.52 -1.28 -0.68 0.00 0.00 178.15 176.17 3lml h SER 355 N -0.90 -1.80 -0.25 1.72 0.87 -1.20 0.21 113.55 112.20 3lml h SER 355 Ca -0.00 0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.88 3lml h SER 355 Cb 0.91 0.75 -0.01 0.00 -0.44 0.00 0.00 62.40 63.61 3lml h SER 355 CO 0.00 -0.33 0.36 0.03 -0.53 0.00 0.00 176.83 176.36 3lml h ARG 356 N -0.27 0.00 0.01 2.24 3.08 -0.72 -1.05 114.38 117.66 3lml h ARG 356 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3lml h ARG 356 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3lml h ARG 356 CO -0.63 0.00 -0.00 0.82 -1.07 0.00 0.00 179.97 179.08 3lml h ILE 357 N 0.00 0.79 -0.63 2.04 2.04 -0.68 -2.09 117.51 118.99 3lml h ILE 357 Ca 0.12 -1.57 0.06 0.00 1.00 0.00 0.00 64.86 64.46 3lml h ILE 357 Cb 0.84 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 3lml h ILE 357 CO -0.00 0.27 0.33 -0.07 0.00 0.00 0.00 178.15 178.68 3lml h LEU 358 N -1.00 0.48 0.53 1.44 3.38 -0.75 -1.53 115.31 117.87 3lml h LEU 358 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3lml h LEU 358 Cb 0.44 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3lml h LEU 358 CO 0.00 0.31 -0.25 0.44 0.09 0.00 0.00 178.44 179.03 3lml h ASP 359 N 0.62 -0.60 -0.91 -0.43 3.32 -1.35 -1.97 116.42 115.10 3lml h ASP 359 Ca 0.28 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.48 3lml h ASP 359 Cb 0.20 0.15 -0.14 0.00 0.22 0.00 0.00 39.33 39.76 3lml h ASP 359 CO -0.19 -0.41 -0.39 0.61 -1.72 0.00 0.00 179.24 177.14 3lml n GLY 360 N -1.17 -1.97 0.25 2.75 0.00 -0.78 0.77 105.19 105.04 3lml n GLY 360 Ca -0.09 1.03 0.01 0.00 0.00 0.00 0.00 46.02 46.97 3lml n GLY 360 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lml h ILE 361 N 0.00 0.79 -0.40 -0.61 2.04 -1.27 0.44 117.51 118.50 3lml h ILE 361 Ca 0.29 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3lml h ILE 361 Cb 0.51 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3lml h ILE 361 CO -0.90 0.09 0.04 -1.13 0.00 0.00 0.00 178.15 176.25 3lml h ASN 362 N 0.48 0.66 -0.03 1.72 -0.73 0.12 -0.85 115.58 116.94 3lml h ASN 362 Ca 0.33 -0.28 -0.00 0.00 1.87 0.00 0.00 56.30 58.22 3lml h ASN 362 Cb 0.39 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 3lml h ASN 362 CO -0.30 0.77 0.01 0.78 -0.37 0.00 0.00 177.43 178.32 3lml h ASN 363 N 0.52 0.05 -0.39 1.15 -0.26 0.17 -2.68 115.58 114.14 3lml h ASN 363 Ca 0.12 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 3lml h ASN 363 Cb 0.41 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 3lml h ASN 363 CO 0.01 0.25 0.18 0.44 -1.06 0.00 0.00 177.43 177.26 3lml h ASP 364 N -0.15 0.55 -0.48 5.81 3.45 -0.18 -0.41 116.42 125.01 3lml h ASP 364 Ca 0.01 -0.05 0.07 0.00 0.43 0.00 0.00 57.03 57.49 3lml h ASP 364 Cb 0.22 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.79 3lml h ASP 364 CO -0.00 0.50 0.14 0.74 -1.57 0.00 0.00 179.24 179.05 3lml h THR 365 N 0.62 0.79 0.08 0.35 2.02 -0.86 0.87 112.91 116.77 3lml h THR 365 Ca 0.15 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3lml h THR 365 Cb 0.11 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3lml h THR 365 CO -0.02 0.05 -0.04 0.08 0.37 0.00 0.00 175.52 175.97 3lml h ARG 366 N 0.30 -0.10 -0.62 6.66 0.11 -1.03 -3.10 114.38 116.60 3lml h ARG 366 Ca 0.24 0.01 0.09 0.00 0.10 0.00 0.00 59.98 60.41 3lml h ARG 366 Cb 0.27 0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.31 3lml h ARG 366 CO -0.27 0.36 0.26 -0.09 0.10 0.00 0.00 179.97 180.34 3lml h ARG 367 N -0.95 0.45 -0.32 0.08 2.43 -1.12 -0.88 114.38 114.08 3lml h ARG 367 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3lml h ARG 367 Cb 0.51 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3lml h ARG 367 CO 0.02 0.30 0.17 -0.91 -1.51 0.00 0.00 179.97 178.04 3lml h ASN 368 N 0.46 0.40 -0.68 -3.80 -0.26 -0.94 -1.34 115.58 109.42 3lml h ASN 368 Ca 0.31 -0.09 -0.07 0.00 -0.56 0.00 0.00 56.30 55.89 3lml h ASN 368 Cb 0.35 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 3lml h ASN 368 CO -0.28 0.38 0.15 0.40 -1.06 0.00 0.00 177.43 177.02 3lml h ILE 369 N 0.39 1.26 -0.68 2.81 2.04 -1.41 -1.53 117.51 120.39 3lml h ILE 369 Ca 0.11 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3lml h ILE 369 Cb 0.07 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3lml h ILE 369 CO -0.02 0.37 0.40 -0.07 0.00 0.00 0.00 178.15 178.84 3lml h LEU 370 N 1.05 0.64 -0.11 1.44 3.38 -0.83 0.10 115.31 120.98 3lml h LEU 370 Ca 0.22 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3lml h LEU 370 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3lml h LEU 370 CO 0.00 0.43 -0.02 0.44 0.09 0.00 0.00 178.44 179.38 3lml h ASP 371 N 0.77 -0.09 -0.90 -0.43 3.45 -0.66 -0.80 116.42 117.76 3lml h ASP 371 Ca 0.29 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.81 3lml h ASP 371 Cb 0.10 0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 38.88 3lml h ASP 371 CO -0.14 -0.03 0.58 0.00 -1.57 0.00 0.00 179.24 178.08 3lml h ALA 372 N 1.10 1.19 0.43 3.45 0.00 -0.80 0.48 119.26 125.11 3lml h ALA 372 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lml h ALA 372 Cb 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3lml h ALA 372 CO -0.11 0.44 -0.25 0.82 0.00 0.00 0.00 179.25 180.15 3lml h ILE 373 N 1.13 0.00 0.00 0.00 1.08 -0.20 0.89 117.51 120.41 3lml h ILE 373 Ca 0.36 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 3lml h ILE 373 Cb 0.01 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 3lml h ILE 373 CO -0.12 0.00 0.00 2.29 -0.69 0.00 0.00 178.15 179.63 3lml n LYS 374 N -3.89 0.46 -0.09 2.37 2.85 -0.36 -1.82 118.16 117.68 3lml n LYS 374 Ca -0.08 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.06 3lml n LYS 374 Cb 0.26 -1.35 -0.09 0.00 -0.65 0.00 0.00 35.03 33.20 3lml n LYS 374 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3lml n GLU 375 N -0.85 0.67 0.25 -1.58 0.00 0.15 -3.92 120.64 115.35 3lml n GLU 375 Ca 0.08 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.46 3lml n GLU 375 Cb 0.04 -1.38 0.57 0.00 0.00 0.00 0.00 31.44 30.66 3lml n GLU 375 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3lml h ARG 376 N 0.00 0.00 0.00 5.31 9.65 -0.30 -2.42 114.38 126.62 3lml h ARG 376 Ca -0.43 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.27 3lml h ARG 376 Cb 1.71 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.28 3lml h ARG 376 CO -0.05 0.12 -0.84 -0.22 2.80 0.00 0.00 179.97 181.77 3lml h LYS 377 N 0.00 0.12 0.00 0.20 3.64 -1.54 0.12 116.57 119.11 3lml h LYS 377 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3lml h LYS 377 Cb 0.63 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3lml h LYS 377 CO 0.02 0.89 0.00 -0.25 -2.27 0.00 0.00 179.45 177.84 3lml n ASP 378 N -3.63 0.75 -0.87 4.20 10.43 -0.92 -1.76 116.55 124.75 3lml n ASP 378 Ca -0.02 0.65 0.10 0.00 2.57 0.00 0.00 54.79 58.08 3lml n ASP 378 Cb 0.79 -0.82 0.14 0.00 1.84 0.00 0.00 41.12 43.06 3lml n ASP 378 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3lml n ALA 379 N -1.79 2.42 -2.82 2.24 0.00 -1.17 -4.95 120.51 114.43 3lml n ALA 379 Ca 0.03 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 3lml n ALA 379 Cb 0.29 -0.68 0.03 0.00 0.00 0.00 0.00 19.45 19.09 3lml n ALA 379 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3lml n ASN 380 N 1.12 -4.91 -2.22 0.00 4.05 -0.72 -4.92 115.26 107.66 3lml n ASN 380 Ca 0.14 -0.21 -0.10 0.00 0.45 0.00 0.00 54.58 54.85 3lml n ASN 380 Cb 0.50 -3.76 0.05 0.00 1.23 0.00 0.00 39.78 37.79 3lml n ASN 380 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3lml n THR 381 N -4.18 1.82 -0.97 -0.44 -1.04 0.41 -5.02 114.28 104.86 3lml n THR 381 Ca -0.08 -3.40 -0.38 0.00 -2.04 0.00 0.00 64.05 58.15 3lml n THR 381 Cb 0.59 0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 69.12 3lml n THR 381 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3lml n ASP 382 N -0.61 -0.11 -4.60 8.00 9.92 -1.09 -4.71 116.55 123.34 3lml n ASP 382 Ca 0.24 0.76 -0.43 0.00 -0.53 0.00 0.00 54.79 54.83 3lml n ASP 382 Cb 0.89 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 3lml n ASP 382 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3lml s ILE 383 N -0.08 3.28 0.64 0.53 1.01 -1.26 -4.95 121.20 120.36 3lml s ILE 383 Ca 0.57 0.29 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 3lml s ILE 383 Cb -0.80 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3lml s ILE 383 CO 0.37 -0.22 1.29 -0.81 0.00 0.00 0.00 174.94 175.57 3lml n PRO 384 N 8.52 1.16 -1.28 2.79 -0.04 -1.26 -4.91 135.00 139.98 3lml n PRO 384 Ca 0.26 0.45 -0.23 0.00 -0.04 0.00 0.00 63.50 63.93 3lml n PRO 384 Cb 0.46 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 3lml n PRO 384 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lml n ALA 385 N -1.84 6.00 -3.00 0.55 0.00 -1.26 -3.79 120.51 117.17 3lml n ALA 385 Ca 0.15 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 51.03 3lml n ALA 385 Cb 0.48 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3lml n ALA 385 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lml n ASP 386 N 0.68 1.07 0.06 0.00 3.85 -1.26 -4.89 116.55 116.06 3lml n ASP 386 Ca 0.43 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 54.41 3lml n ASP 386 Cb 0.57 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.37 3lml n ASP 386 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3lml h GLU 387 N 0.00 0.36 -0.26 0.11 4.11 -2.00 -2.82 114.58 114.09 3lml h GLU 387 Ca 0.00 -0.31 -0.09 0.00 0.07 0.00 0.00 59.36 59.03 3lml h GLU 387 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3lml h GLU 387 CO 0.00 0.95 -0.24 -0.91 0.07 0.00 0.00 179.01 178.89 3lml h ASN 388 N 0.24 0.49 -0.10 3.06 4.21 -1.96 -1.40 115.58 120.12 3lml h ASN 388 Ca -0.03 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 3lml h ASN 388 Cb 1.32 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3lml h ASN 388 CO 0.13 0.73 -0.03 1.23 -1.29 0.00 0.00 177.43 178.20 3lml h GLY 389 N 1.01 0.22 0.57 2.83 0.00 -1.64 -2.14 103.07 103.91 3lml h GLY 389 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3lml h GLY 389 CO 0.05 0.16 -0.32 -2.08 0.00 0.00 0.00 176.54 174.35 3lml h VAL 390 N -0.12 0.33 -0.69 4.60 2.07 -1.32 -2.06 116.25 119.07 3lml h VAL 390 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3lml h VAL 390 Cb 0.44 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 3lml h VAL 390 CO 0.01 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.22 3lml h GLN 391 N -0.61 0.37 0.40 1.57 -0.00 -1.29 0.17 115.11 115.72 3lml h GLN 391 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3lml h GLN 391 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 3lml h GLN 391 CO -0.11 0.24 -0.50 0.35 0.00 0.00 0.00 178.83 178.82 3lml h PHE 392 N 0.38 -1.39 -0.38 3.99 3.57 -0.93 0.19 116.94 122.37 3lml h PHE 392 Ca 0.37 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.94 3lml h PHE 392 Cb 0.54 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 3lml h PHE 392 CO -0.19 -0.64 0.10 0.82 -2.23 0.00 0.00 178.31 176.16 3lml h ILE 393 N -0.93 0.84 -0.29 1.41 2.04 -0.84 -2.21 117.51 117.53 3lml h ILE 393 Ca -0.04 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.80 3lml h ILE 393 Cb 0.83 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3lml h ILE 393 CO -0.12 0.04 -0.16 0.25 0.00 0.00 0.00 178.15 178.16 3lml h LEU 394 N 0.23 -0.54 -1.26 1.44 5.85 -0.29 0.65 115.31 121.39 3lml h LEU 394 Ca 0.18 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3lml h LEU 394 Cb 0.19 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3lml h LEU 394 CO -0.21 -0.20 0.00 -0.24 -0.34 0.00 0.00 178.44 177.45 3lml n SER 395 N -5.33 0.00 0.00 1.25 2.88 0.63 -1.11 113.62 111.93 3lml n SER 395 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3lml n SER 395 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3lml n SER 395 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lml n GLN 397 N 0.55 0.00 -0.11 -1.46 1.13 0.22 -2.51 117.38 115.21 3lml n GLN 397 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3lml n GLN 397 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3lml n GLN 397 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3lml h THR 398 N 0.00 1.03 -0.54 5.09 2.02 -1.34 0.17 112.91 119.34 3lml h THR 398 Ca 0.00 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.13 3lml h THR 398 Cb 0.00 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 3lml h THR 398 CO 0.00 0.08 0.14 0.00 0.37 0.00 0.00 175.52 176.11 3lml h ALA 399 N 1.16 0.64 0.61 6.16 0.00 -1.75 0.82 119.26 126.90 3lml h ALA 399 Ca 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3lml h ALA 399 Cb 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3lml h ALA 399 CO -0.07 -0.28 -0.48 -0.92 0.00 0.00 0.00 179.25 177.51 3lml h TYR 400 N 0.29 -1.30 -0.48 0.00 3.20 -1.52 -1.32 116.97 115.83 3lml h TYR 400 Ca 0.27 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3lml h TYR 400 Cb 0.37 0.49 -0.09 0.00 1.54 0.00 0.00 36.73 39.03 3lml h TYR 400 CO -0.21 -0.68 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.47 3lml h LEU 401 N -1.06 -0.39 -0.86 2.82 -0.00 -0.05 -0.98 115.31 114.79 3lml h LEU 401 Ca -0.08 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.96 3lml h LEU 401 Cb 0.89 0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 41.78 3lml h LEU 401 CO 0.01 -0.14 0.56 0.78 -0.00 0.00 0.00 178.44 179.65 3lml h ASN 402 N 0.02 0.96 -0.59 -0.43 2.35 -0.75 -2.02 115.58 115.12 3lml h ASN 402 Ca 0.24 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.03 3lml h ASN 402 Cb 0.36 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 3lml h ASN 402 CO -0.48 0.68 0.29 -0.33 -1.65 0.00 0.00 177.43 175.95 3lml h GLU 403 N 1.13 0.53 0.00 0.81 4.39 -0.01 -0.05 114.58 121.38 3lml h GLU 403 Ca 0.33 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 3lml h GLU 403 Cb -0.08 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3lml h GLU 403 CO -0.09 0.35 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.93 3lml h LEU 404 N 0.55 0.00 -0.05 1.33 3.38 -0.65 -0.68 115.31 119.19 3lml h LEU 404 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 3lml h LEU 404 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3lml h LEU 404 CO -0.20 0.11 -0.51 -0.61 0.09 0.00 0.00 178.44 177.33 3lml h GLN 405 N 0.00 0.43 -0.85 1.13 4.15 -0.56 0.22 115.11 119.63 3lml h GLN 405 Ca -0.00 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 3lml h GLN 405 Cb 0.23 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 3lml h GLN 405 CO 0.01 1.05 0.45 -0.44 -1.93 0.00 0.00 178.83 177.98 3lml h ASP 406 N -0.04 1.07 0.38 -0.69 3.45 -0.70 -0.33 116.42 119.57 3lml h ASP 406 Ca -0.05 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.30 3lml h ASP 406 Cb 1.19 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3lml h ASP 406 CO 0.10 0.87 0.00 -1.54 -1.57 0.00 0.00 179.24 177.10 3lml n SER 407 N -4.36 0.00 0.00 6.45 3.41 -0.30 -4.88 113.62 113.93 3lml n SER 407 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3lml n SER 407 Cb 0.10 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3lml n SER 407 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lml n GLY 408 N 0.43 0.40 0.12 5.00 0.00 -0.13 -4.97 105.19 106.05 3lml n GLY 408 Ca 0.10 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 3lml n GLY 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml n ALA 409 N -0.83 1.09 -2.70 4.61 0.00 0.75 -4.80 120.51 118.62 3lml n ALA 409 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 3lml n ALA 409 Cb 0.45 -0.66 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 3lml n ALA 409 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3lml s ILE 410 N -2.56 0.70 0.30 0.00 -4.36 -1.09 -1.90 121.20 112.29 3lml s ILE 410 Ca -0.19 -1.29 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 3lml s ILE 410 Cb 0.07 -0.91 -0.06 0.00 1.25 0.00 0.00 42.46 42.81 3lml s ILE 410 CO 0.77 -0.44 0.03 0.42 0.24 0.00 0.00 174.94 175.96 3lml s THR 411 N -1.77 1.23 -1.36 8.37 -4.23 -0.83 -4.09 115.64 112.96 3lml s THR 411 Ca -0.04 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 3lml s THR 411 Cb -0.07 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3lml s THR 411 CO 0.00 -0.10 0.88 0.59 -0.54 0.00 0.00 174.62 175.46 3lml n ASN 412 N -0.63 -2.91 -4.53 3.99 3.02 -1.26 -4.33 115.26 108.62 3lml n ASN 412 Ca -0.03 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 3lml n ASN 412 Cb 0.66 -4.31 -0.08 0.00 -0.61 0.00 0.00 39.78 35.43 3lml n ASN 412 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3lml s PHE 413 N -3.48 3.18 -0.48 3.10 5.36 -1.26 -4.90 117.98 119.49 3lml s PHE 413 Ca 0.25 -0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.02 3lml s PHE 413 Cb -0.12 -2.86 0.09 0.00 -0.34 0.00 0.00 43.02 39.79 3lml s PHE 413 CO 0.79 -0.57 0.41 0.34 -1.46 0.00 0.00 175.22 174.73 3lml s ASP 414 N 1.78 6.08 0.38 6.13 2.15 -1.26 -4.92 116.67 127.01 3lml s ASP 414 Ca 0.15 -1.50 0.08 0.00 0.43 0.00 0.00 52.55 51.70 3lml s ASP 414 Cb -0.16 -2.16 0.41 0.00 -0.30 0.00 0.00 42.92 40.71 3lml s ASP 414 CO 0.13 -0.69 1.08 0.28 -0.17 0.00 0.00 175.17 175.80 3lml h SER 415 N 8.74 0.00 0.00 -0.34 0.02 -1.97 -2.94 113.55 117.06 3lml h SER 415 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3lml h SER 415 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3lml h SER 415 CO 0.91 0.00 0.00 0.41 -1.14 0.00 0.00 176.83 177.01 3lml n THR 416 N -2.03 0.00 -2.60 -2.27 -1.04 -1.26 -4.64 114.28 100.44 3lml n THR 416 Ca -0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3lml n THR 416 Cb 0.57 -0.13 0.02 0.00 -1.82 0.00 0.00 70.33 68.97 3lml n THR 416 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lml n ALA 417 N -1.32 6.07 -0.15 2.41 0.00 -1.16 -4.20 120.51 122.16 3lml n ALA 417 Ca 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 53.44 48.86 3lml n ALA 417 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3lml n ALA 417 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lml n ASP 418 N -0.10 0.00 -3.74 0.00 10.43 -1.12 -4.92 116.55 117.11 3lml n ASP 418 Ca 0.47 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.68 3lml n ASP 418 Cb 0.26 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.07 3lml n ASP 418 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3lml s ILE 419 N 0.00 -0.08 -0.02 0.53 1.10 -1.26 -0.67 121.20 120.80 3lml s ILE 419 Ca 0.00 0.24 -0.04 0.00 -0.51 0.00 0.00 60.65 60.34 3lml s ILE 419 Cb 0.00 -0.18 0.01 0.00 0.15 0.00 0.00 42.46 42.43 3lml s ILE 419 CO 0.00 0.10 0.09 0.42 -2.11 0.00 0.00 174.94 173.44 3lml s THR 420 N 1.35 0.03 0.02 4.00 -4.23 0.20 -4.90 115.64 112.10 3lml s THR 420 Ca -0.07 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.29 3lml s THR 420 Cb -0.12 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 3lml s THR 420 CO -0.05 -0.12 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.07 3lml s VAL 421 N -0.34 1.28 0.12 2.29 1.01 -1.26 -1.05 120.40 122.44 3lml s VAL 421 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3lml s VAL 421 Cb -0.03 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3lml s VAL 421 CO 0.00 0.20 0.17 -1.54 0.00 0.00 0.00 175.10 173.93 3lml n SER 422 N 2.25 -0.47 -4.87 3.32 3.41 -0.42 -4.95 113.62 111.89 3lml n SER 422 Ca -0.16 -1.65 -0.33 0.00 -0.26 0.00 0.00 58.87 56.46 3lml n SER 422 Cb 0.54 0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 3lml n SER 422 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lml s LEU 423 N 0.00 4.30 0.00 1.04 2.01 -1.26 -1.68 118.68 123.08 3lml s LEU 423 Ca 0.10 0.79 0.00 0.00 0.01 0.00 0.00 54.13 55.03 3lml s LEU 423 Cb -0.00 -3.21 0.00 0.00 0.01 0.00 0.00 46.19 42.99 3lml s LEU 423 CO 0.07 0.09 0.08 -3.20 1.01 0.00 0.00 176.35 174.41 3lml n ASN 424 N 0.51 0.11 0.00 2.29 5.15 0.69 -4.73 115.26 119.29 3lml n ASN 424 Ca -0.05 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 3lml n ASN 424 Cb 0.52 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3lml n ASN 424 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3lml n ASN 425 N 0.23 0.00 -0.37 1.20 3.02 -1.26 -4.23 115.26 113.85 3lml n ASN 425 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3lml n ASN 425 Cb 0.03 -0.31 0.11 0.00 -0.61 0.00 0.00 39.78 39.00 3lml n ASN 425 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lml n ASN 426 N 0.03 2.63 -4.23 6.41 3.02 -1.26 -4.98 115.26 116.87 3lml n ASN 426 Ca 0.00 -2.22 -0.38 0.00 -0.03 0.00 0.00 54.58 51.95 3lml n ASN 426 Cb 0.00 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3lml n ASN 426 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3lml n VAL 427 N -0.17 -0.03 -0.40 2.41 0.24 -1.26 -4.73 118.33 114.39 3lml n VAL 427 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3lml n VAL 427 Cb 0.43 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 3lml n VAL 427 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3lml n ASP 428 N -2.14 1.29 -3.73 -1.34 5.75 -1.26 -4.78 116.55 110.33 3lml n ASP 428 Ca 0.10 -1.68 -0.03 0.00 -0.01 0.00 0.00 54.79 53.17 3lml n ASP 428 Cb 0.41 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 3lml n ASP 428 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3lml s GLY 429 N -0.70 -0.26 -0.01 6.12 0.00 -1.26 0.13 107.32 111.34 3lml s GLY 429 Ca 0.01 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3lml s GLY 429 CO 0.00 0.03 -0.09 -1.36 0.00 0.00 0.00 173.10 171.68 3lml s PHE 430 N -3.19 2.83 -0.15 1.90 0.40 0.76 -0.22 117.98 120.31 3lml s PHE 430 Ca 0.12 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 3lml s PHE 430 Cb -0.01 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 3lml s PHE 430 CO 0.01 0.32 -0.12 0.42 0.70 0.00 0.00 175.22 176.55 3lml s ILE 431 N -0.91 3.01 -0.24 0.64 1.01 -0.68 -0.46 121.20 123.57 3lml s ILE 431 Ca 0.15 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3lml s ILE 431 Cb -0.11 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 40.13 3lml s ILE 431 CO 0.05 0.51 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 3lml s VAL 432 N 0.63 2.20 -0.12 2.92 1.01 0.86 -1.30 120.40 126.61 3lml s VAL 432 Ca -0.07 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 60.43 3lml s VAL 432 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3lml s VAL 432 CO 0.03 0.11 0.05 0.20 0.00 0.00 0.00 175.10 175.49 3lml s ASN 433 N 1.16 5.57 -0.14 3.32 0.02 -0.21 -0.65 114.94 124.00 3lml s ASN 433 Ca -0.05 0.18 -0.19 0.00 -1.02 0.00 0.00 52.86 51.78 3lml s ASN 433 Cb -0.18 -1.76 0.05 0.00 0.02 0.00 0.00 41.25 39.38 3lml s ASN 433 CO -0.07 0.31 0.49 0.00 0.02 0.00 0.00 177.10 177.86 3lml s GLN 434 N -0.49 0.66 -0.34 -0.60 -2.07 1.00 -0.63 119.66 117.19 3lml s GLN 434 Ca 0.10 0.50 -0.02 0.00 -1.82 0.00 0.00 55.36 54.11 3lml s GLN 434 Cb -0.12 0.32 0.07 0.00 -1.09 0.00 0.00 33.01 32.19 3lml s GLN 434 CO 0.02 -0.12 0.08 -1.12 -1.32 0.00 0.00 175.29 172.83 3lml s SER 435 N -0.18 5.05 0.22 12.60 0.01 0.16 -0.18 113.70 131.38 3lml s SER 435 Ca -0.04 -1.53 0.07 0.00 1.31 0.00 0.00 55.95 55.76 3lml s SER 435 Cb -0.03 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 3lml s SER 435 CO 0.02 -0.36 0.09 -0.63 0.41 0.00 0.00 173.24 172.77 3lml s ILE 436 N 1.22 4.04 -0.20 1.44 -1.09 -0.54 -4.80 121.20 121.27 3lml s ILE 436 Ca 0.00 -1.48 -0.01 0.00 -2.23 0.00 0.00 60.65 56.93 3lml s ILE 436 Cb -0.21 -3.12 0.06 0.00 -1.58 0.00 0.00 42.46 37.60 3lml s ILE 436 CO -0.02 -0.26 -0.00 -0.70 -1.23 0.00 0.00 174.94 172.73 3lml s GLU 437 N -3.47 1.04 0.24 2.79 2.12 -1.26 0.18 118.70 120.34 3lml s GLU 437 Ca 0.31 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 3lml s GLU 437 Cb -0.08 -2.18 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 3lml s GLU 437 CO 0.22 -0.58 1.45 -2.14 -0.54 0.00 0.00 175.26 173.67 3lml s PRO 438 N 1.70 4.26 0.00 4.30 0.02 -1.26 -1.96 135.00 142.06 3lml s PRO 438 Ca -0.02 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3lml s PRO 438 Cb -0.17 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3lml s PRO 438 CO -0.07 -0.44 0.00 1.33 -0.33 0.00 0.00 177.00 177.49 3lml n VAL 439 N 2.48 0.00 -2.83 3.83 0.24 -0.80 -3.01 118.33 118.24 3lml n VAL 439 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 3lml n VAL 439 Cb 0.40 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 3lml n VAL 439 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3lml s ASP 440 N 0.00 6.81 0.00 -1.34 -0.00 -1.26 -4.74 116.67 116.14 3lml s ASP 440 Ca 0.00 -2.39 0.00 0.00 -0.00 0.00 0.00 52.55 50.16 3lml s ASP 440 Cb 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 3lml s ASP 440 CO 0.00 -1.02 0.00 -1.54 -0.00 0.00 0.00 175.17 172.61 3lml n SER 441 N 6.81 0.00 -3.93 0.27 3.41 -1.16 -5.06 113.62 113.95 3lml n SER 441 Ca 0.34 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.61 3lml n SER 441 Cb 0.46 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.31 3lml n SER 441 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lml n GLY 442 N 0.00 0.60 3.52 5.00 0.00 -1.26 -4.66 105.19 108.40 3lml n GLY 442 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3lml n GLY 442 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lml s GLU 443 N 7.08 0.22 -0.05 1.61 2.12 -1.26 -5.14 118.70 123.28 3lml s GLU 443 Ca 0.71 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 56.27 3lml s GLU 443 Cb 0.08 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 3lml s GLU 443 CO 0.25 -0.06 0.57 0.15 -0.54 0.00 0.00 175.26 175.63 3lml s LYS 444 N 1.62 4.32 -0.04 4.30 1.02 -1.26 -4.50 119.74 125.20 3lml s LYS 444 Ca -0.06 0.66 -0.01 0.00 0.02 0.00 0.00 55.97 56.57 3lml s LYS 444 Cb -0.03 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3lml s LYS 444 CO -0.14 0.28 0.07 -0.06 -0.92 0.00 0.00 175.35 174.58 3lml s PHE 445 N 0.15 3.29 -0.21 3.18 0.40 0.13 -4.90 117.98 120.02 3lml s PHE 445 Ca 0.30 0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.73 3lml s PHE 445 Cb -0.17 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 3lml s PHE 445 CO 0.15 0.55 0.31 -0.47 0.70 0.00 0.00 175.22 176.46 3lml s TYR 446 N -1.11 3.36 -0.03 0.36 6.14 -1.26 -1.47 117.35 123.35 3lml s TYR 446 Ca 0.20 0.48 0.02 0.00 0.64 0.00 0.00 57.07 58.42 3lml s TYR 446 Cb -0.12 -2.42 0.00 0.00 0.42 0.00 0.00 41.96 39.84 3lml s TYR 446 CO 0.10 0.04 -0.09 -0.06 0.64 0.00 0.00 175.55 176.18 3lml s PHE 447 N 1.14 0.94 -0.11 4.97 0.40 0.75 -5.00 117.98 121.08 3lml s PHE 447 Ca 0.15 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3lml s PHE 447 Cb -0.14 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.74 3lml s PHE 447 CO 0.06 -0.11 -0.03 -0.08 0.70 0.00 0.00 175.22 175.76 3lml s THR 448 N 0.23 0.72 -0.07 0.64 -1.32 -1.26 -0.00 115.64 114.58 3lml s THR 448 Ca -0.04 -0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.30 3lml s THR 448 Cb -0.09 -0.86 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 3lml s THR 448 CO 0.01 0.25 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.59 3lml s THR 449 N 1.82 2.65 -0.10 5.08 2.01 0.18 -4.95 115.64 122.33 3lml s THR 449 Ca 0.04 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.20 3lml s THR 449 Cb -0.13 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 3lml s THR 449 CO -0.07 0.57 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.63 3lml s GLU 450 N -0.23 3.07 -0.27 4.92 2.12 -1.26 -0.10 118.70 126.95 3lml s GLU 450 Ca -0.00 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.71 3lml s GLU 450 Cb -0.13 -2.61 0.08 0.00 0.26 0.00 0.00 34.13 31.72 3lml s GLU 450 CO 0.03 0.43 0.03 0.08 -0.54 0.00 0.00 175.26 175.30 3lml s VAL 451 N -0.21 1.22 0.07 3.70 1.01 0.40 -5.00 120.40 121.59 3lml s VAL 451 Ca 0.02 -1.32 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 3lml s VAL 451 Cb -0.13 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 3lml s VAL 451 CO 0.03 -0.40 1.45 -0.54 0.00 0.00 0.00 175.10 175.64 3lml s LYS 452 N 1.49 4.28 -0.83 2.72 1.02 -1.26 -0.17 119.74 126.99 3lml s LYS 452 Ca 0.03 2.10 -0.27 0.00 0.02 0.00 0.00 55.97 57.84 3lml s LYS 452 Cb -0.18 -3.42 -0.25 0.00 -0.52 0.00 0.00 37.83 33.46 3lml s LYS 452 CO -0.14 -0.55 1.96 -0.11 -0.92 0.00 0.00 175.35 175.60 3lml n LEU 453 N 4.74 1.55 0.00 3.17 7.94 0.35 -4.88 117.00 129.87 3lml n LEU 453 Ca 0.13 -2.34 0.00 0.00 -1.11 0.00 0.00 56.01 52.68 3lml n LEU 453 Cb 0.42 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.96 3lml n LEU 453 CO 0.59 -2.96 0.00 1.21 -1.11 0.00 0.00 177.39 175.13