#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdy s LYS 2 N 0.00 4.19 -0.35 5.55 2.20 -1.26 -1.02 119.74 129.05 1jdy s LYS 2 Ca 0.00 0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 56.27 1jdy s LYS 2 Cb 0.00 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1jdy s LYS 2 CO 0.00 0.51 0.15 0.42 -0.36 0.00 0.00 175.35 176.07 1jdy s ILE 3 N -1.34 4.26 0.08 5.43 1.01 -1.26 -4.15 121.20 125.22 1jdy s ILE 3 Ca 0.36 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1jdy s ILE 3 Cb -0.18 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1jdy s ILE 3 CO 0.20 -0.14 0.06 -0.69 0.00 0.00 0.00 174.94 174.37 1jdy s VAL 4 N 1.51 4.45 -0.18 2.92 1.01 0.73 -4.97 120.40 125.87 1jdy s VAL 4 Ca 0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1jdy s VAL 4 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1jdy s VAL 4 CO 0.05 0.14 -0.15 0.28 0.00 0.00 0.00 175.10 175.42 1jdy s THR 5 N -1.36 2.51 -0.29 3.92 -1.32 -1.26 -0.52 115.64 117.33 1jdy s THR 5 Ca 0.28 -0.80 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 1jdy s THR 5 Cb -0.12 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.78 1jdy s THR 5 CO 0.21 0.51 0.10 -0.69 -2.21 0.00 0.00 174.62 172.53 1jdy s VAL 6 N 1.19 4.28 -0.33 5.08 1.01 0.24 -4.96 120.40 126.93 1jdy s VAL 6 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1jdy s VAL 6 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1jdy s VAL 6 CO -0.07 0.16 1.57 -0.54 0.00 0.00 0.00 175.10 176.22 1jdy s LYS 7 N 1.57 3.59 0.00 2.72 -0.14 -1.26 -0.87 119.74 125.36 1jdy s LYS 7 Ca 0.05 1.31 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 1jdy s LYS 7 Cb -0.16 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 1jdy s LYS 7 CO 0.04 -1.54 0.00 -2.37 -0.76 0.00 0.00 175.35 170.72 1jdy n THR 8 N 6.93 0.00 -3.69 2.17 5.66 0.29 -4.96 114.28 120.68 1jdy n THR 8 Ca 0.19 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.02 1jdy n THR 8 Cb 0.47 -0.66 -0.16 0.00 -1.55 0.00 0.00 70.33 68.43 1jdy n THR 8 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1jdy s LYS 9 N 0.65 0.01 0.78 1.09 1.02 -1.26 -4.74 119.74 117.29 1jdy s LYS 9 Ca 0.00 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.31 1jdy s LYS 9 Cb 0.00 -0.31 0.07 0.00 -0.52 0.00 0.00 37.83 37.07 1jdy s LYS 9 CO 0.00 -0.28 1.21 0.00 -0.92 0.00 0.00 175.35 175.36 1jdy s ALA 10 N 1.96 1.94 -0.10 5.17 0.00 -1.18 -5.05 121.76 124.50 1jdy s ALA 10 Ca 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1jdy s ALA 10 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1jdy s ALA 10 CO -0.05 -2.14 0.05 0.71 0.00 0.00 0.00 175.76 174.33 1jdy s TYR 11 N -2.09 3.30 0.10 0.00 2.02 -1.23 -5.04 117.35 114.41 1jdy s TYR 11 Ca 0.74 0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 57.63 1jdy s TYR 11 Cb -0.29 -1.85 -0.17 0.00 -0.40 0.00 0.00 41.96 39.26 1jdy s TYR 11 CO 0.49 0.54 1.25 -1.00 -1.57 0.00 0.00 175.55 175.26 1jdy h PRO 12 N 5.17 0.61 -0.88 -1.71 0.13 -1.91 -3.38 132.00 130.03 1jdy h PRO 12 Ca -0.51 -0.63 -0.07 0.00 -0.87 0.00 0.00 66.00 63.91 1jdy h PRO 12 Cb 1.20 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1jdy h PRO 12 CO 0.56 1.24 0.09 -0.40 -0.23 0.00 0.00 178.00 179.26 1jdy n ASP 13 N -3.83 3.11 -2.66 1.44 3.85 -1.26 -4.74 116.55 112.46 1jdy n ASP 13 Ca -0.09 -2.49 -0.29 0.00 -0.71 0.00 0.00 54.79 51.22 1jdy n ASP 13 Cb 0.84 -0.60 -0.06 0.00 -1.35 0.00 0.00 41.12 39.96 1jdy n ASP 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jdy n GLN 14 N 0.12 2.83 -2.96 0.11 6.02 -1.26 -4.91 117.38 117.33 1jdy n GLN 14 Ca 0.16 -2.46 -0.43 0.00 -0.01 0.00 0.00 57.00 54.27 1jdy n GLN 14 Cb 0.76 -2.24 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 1jdy n GLN 14 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jdy s LYS 15 N -1.32 3.54 -0.08 -1.09 2.20 -1.26 -4.65 119.74 117.08 1jdy s LYS 15 Ca 0.59 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 1jdy s LYS 15 Cb 0.34 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1jdy s LYS 15 CO -0.18 -1.02 1.27 -2.14 -0.36 0.00 0.00 175.35 172.93 1jdy s PRO 16 N 3.23 4.29 0.00 4.03 0.02 -1.26 -4.77 135.00 140.54 1jdy s PRO 16 Ca 0.30 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1jdy s PRO 16 Cb -0.12 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.75 1jdy s PRO 16 CO 0.21 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1jdy n GLY 17 N 3.52 0.15 0.31 0.52 0.00 -1.19 -4.84 105.19 103.66 1jdy n GLY 17 Ca 0.13 -1.84 0.20 0.00 0.00 0.00 0.00 46.02 44.50 1jdy n GLY 17 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jdy h THR 18 N -0.46 0.00 -0.39 2.61 1.35 -1.96 -1.20 112.91 112.86 1jdy h THR 18 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 1jdy h THR 18 Cb 0.00 0.87 -0.12 0.00 -1.73 0.00 0.00 68.15 67.17 1jdy h THR 18 CO 0.00 0.00 -0.04 -1.20 -0.25 0.00 0.00 175.52 174.03 1jdy n SER 19 N -2.90 2.54 -0.60 5.36 7.64 -1.26 -4.86 113.62 119.53 1jdy n SER 19 Ca -0.03 -3.78 0.08 0.00 1.01 0.00 0.00 58.87 56.15 1jdy n SER 19 Cb 0.09 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 1jdy n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdy n GLY 20 N -1.12 -2.02 3.55 0.23 0.00 -0.45 -4.58 105.19 100.79 1jdy n GLY 20 Ca 0.35 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1jdy n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jdy s LEU 21 N -5.38 3.30 -0.27 0.99 2.96 -1.14 -3.19 118.68 115.95 1jdy s LEU 21 Ca 0.00 0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1jdy s LEU 21 Cb 0.00 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1jdy s LEU 21 CO 0.00 -2.50 0.19 -0.60 -1.32 0.00 0.00 176.35 172.13 1jdy s ARG 22 N 7.27 3.98 -0.09 1.98 3.52 -1.26 -2.53 118.95 131.82 1jdy s ARG 22 Ca 0.73 -0.29 -0.05 0.00 -0.13 0.00 0.00 55.73 55.98 1jdy s ARG 22 Cb -0.13 -3.64 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1jdy s ARG 22 CO 0.21 -0.14 0.21 0.15 -0.81 0.00 0.00 175.30 174.92 1jdy s LYS 23 N 1.64 0.18 0.11 5.12 -0.14 -0.61 -5.00 119.74 121.04 1jdy s LYS 23 Ca 0.07 0.44 -0.35 0.00 -1.36 0.00 0.00 55.97 54.78 1jdy s LYS 23 Cb -0.16 -0.10 -0.18 0.00 -1.68 0.00 0.00 37.83 35.72 1jdy s LYS 23 CO 0.10 -0.14 1.00 2.89 -0.76 0.00 0.00 175.35 178.43 1jdy n ARG 24 N 4.00 0.47 -0.24 1.68 1.85 -1.26 -1.87 116.66 121.29 1jdy n ARG 24 Ca -0.23 0.17 0.23 0.00 -1.00 0.00 0.00 57.85 57.02 1jdy n ARG 24 Cb 0.54 -1.57 0.43 0.00 -1.05 0.00 0.00 32.46 30.81 1jdy n ARG 24 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jdy n VAL 25 N 1.23 -0.32 -0.15 8.89 0.31 0.13 -0.63 118.33 127.79 1jdy n VAL 25 Ca 0.18 1.55 -0.03 0.00 -0.01 0.00 0.00 64.34 66.03 1jdy n VAL 25 Cb 0.18 -2.50 0.06 0.00 -0.91 0.00 0.00 33.84 30.67 1jdy n VAL 25 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1jdy h LYS 26 N 0.00 0.22 -0.01 5.55 1.63 -1.80 -0.80 116.57 121.35 1jdy h LYS 26 Ca 0.63 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.43 1jdy h LYS 26 Cb 1.66 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.23 1jdy h LYS 26 CO -0.59 0.14 -0.06 0.28 -3.45 0.00 0.00 179.45 175.77 1jdy h VAL 27 N 0.22 0.85 -0.58 2.00 2.07 -1.20 -0.54 116.25 119.07 1jdy h VAL 27 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1jdy h VAL 27 Cb 0.32 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1jdy h VAL 27 CO -0.32 0.00 0.37 -0.26 0.02 0.00 0.00 177.57 177.37 1jdy h PHE 28 N -0.10 0.69 0.00 1.57 -1.00 -1.49 0.37 116.94 116.98 1jdy h PHE 28 Ca 0.03 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1jdy h PHE 28 Cb 0.13 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.46 1jdy h PHE 28 CO -0.13 0.41 -0.53 -0.56 -1.61 0.00 0.00 178.31 175.89 1jdy h GLN 29 N 0.74 0.00 0.00 1.51 3.07 -1.06 -3.39 115.11 115.97 1jdy h GLN 29 Ca 0.22 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.66 1jdy h GLN 29 Cb -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.47 1jdy h GLN 29 CO -0.07 0.00 -2.15 0.43 0.09 0.00 0.00 178.83 177.13 1jdy n SER 30 N -2.42 0.90 -4.53 0.06 7.64 -0.22 -4.85 113.62 110.19 1jdy n SER 30 Ca 0.03 -0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 1jdy n SER 30 Cb 0.48 0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 64.54 1jdy n SER 30 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1jdy s SER 31 N -5.07 6.37 -0.48 6.43 0.01 0.11 -4.94 113.70 116.13 1jdy s SER 31 Ca -0.09 -1.14 -0.43 0.00 1.31 0.00 0.00 55.95 55.60 1jdy s SER 31 Cb 0.05 -2.53 -0.18 0.00 0.21 0.00 0.00 66.02 63.57 1jdy s SER 31 CO 0.68 -1.56 2.12 0.41 0.41 0.00 0.00 173.24 175.31 1jdy n THR 32 N 6.46 0.02 -1.43 1.44 -1.04 -1.26 -1.03 114.28 117.44 1jdy n THR 32 Ca 0.18 -0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1jdy n THR 32 Cb 0.50 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.36 1jdy n THR 32 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jdy n ASN 33 N 7.63 -3.17 0.30 8.00 4.13 -1.26 -4.95 115.26 125.94 1jdy n ASN 33 Ca 0.52 0.08 -0.16 0.00 1.68 0.00 0.00 54.58 56.71 1jdy n ASN 33 Cb -0.01 -1.54 -0.08 0.00 -1.54 0.00 0.00 39.78 36.61 1jdy n ASN 33 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1jdy h TYR 34 N 0.00 -0.71 0.06 3.10 3.20 -1.37 -0.62 116.97 120.64 1jdy h TYR 34 Ca -0.11 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1jdy h TYR 34 Cb 0.55 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1jdy h TYR 34 CO 0.14 -0.38 -0.11 0.00 -1.64 0.00 0.00 178.16 176.17 1jdy h ALA 35 N -0.62 -0.18 -0.59 1.82 0.00 -1.82 -1.91 119.26 115.97 1jdy h ALA 35 Ca -0.08 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1jdy h ALA 35 Cb 0.64 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1jdy h ALA 35 CO 0.13 -0.62 0.09 0.93 0.00 0.00 0.00 179.25 179.78 1jdy h GLU 36 N -0.22 0.21 -0.33 0.00 3.07 -1.96 0.67 114.58 116.02 1jdy h GLU 36 Ca 0.02 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1jdy h GLU 36 Cb 0.24 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1jdy h GLU 36 CO -0.07 0.14 0.17 -0.91 -1.40 0.00 0.00 179.01 176.94 1jdy h ASN 37 N 0.21 0.43 -0.47 1.42 2.35 -0.82 0.52 115.58 119.22 1jdy h ASN 37 Ca 0.31 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 1jdy h ASN 37 Cb 0.47 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1jdy h ASN 37 CO -0.42 0.42 0.00 0.15 -1.65 0.00 0.00 177.43 175.92 1jdy h PHE 38 N 0.40 0.91 -0.01 1.19 3.57 -0.53 -0.80 116.94 121.66 1jdy h PHE 38 Ca 0.11 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1jdy h PHE 38 Cb 0.10 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1jdy h PHE 38 CO -0.02 0.87 0.01 0.82 -2.23 0.00 0.00 178.31 177.75 1jdy h ILE 39 N 0.68 1.12 0.00 1.41 2.04 -0.80 0.65 117.51 122.62 1jdy h ILE 39 Ca 0.13 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1jdy h ILE 39 Cb 0.50 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1jdy h ILE 39 CO 0.02 0.09 -0.12 -0.61 0.00 0.00 0.00 178.15 177.53 1jdy h GLN 40 N -0.12 0.00 -0.10 2.37 5.75 -0.87 -0.92 115.11 121.22 1jdy h GLN 40 Ca 0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.27 1jdy h GLN 40 Cb 0.15 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.71 1jdy h GLN 40 CO -0.00 0.12 -0.86 0.77 -2.65 0.00 0.00 178.83 176.21 1jdy h SER 41 N 0.00 0.94 -0.13 -0.69 0.02 -0.46 -1.75 113.55 111.48 1jdy h SER 41 Ca -0.00 -0.66 -0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1jdy h SER 41 Cb 0.24 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1jdy h SER 41 CO 0.02 1.46 0.07 0.40 -1.14 0.00 0.00 176.83 177.64 1jdy h ILE 42 N 0.49 1.09 -0.92 3.27 2.04 -0.15 -2.57 117.51 120.75 1jdy h ILE 42 Ca -0.08 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1jdy h ILE 42 Cb 1.50 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1jdy h ILE 42 CO 0.17 0.08 0.59 0.40 0.00 0.00 0.00 178.15 179.40 1jdy h ILE 43 N 0.12 1.24 0.00 -0.67 5.03 -1.26 -2.23 117.51 119.75 1jdy h ILE 43 Ca 0.05 -0.47 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 1jdy h ILE 43 Cb 0.07 -0.10 -0.00 0.00 -3.03 0.00 0.00 36.82 33.76 1jdy h ILE 43 CO -0.01 0.24 -0.08 0.28 -0.68 0.00 0.00 178.15 177.90 1jdy h SER 44 N 1.26 0.00 0.52 1.72 0.02 -0.92 -1.81 113.55 114.34 1jdy h SER 44 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1jdy h SER 44 Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1jdy h SER 44 CO -0.07 0.08 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 1jdy n THR 45 N -3.61 1.00 -3.06 -2.27 -2.24 -0.84 -4.52 114.28 98.74 1jdy n THR 45 Ca -0.02 0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.61 1jdy n THR 45 Cb 0.19 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 1jdy n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jdy s VAL 46 N -3.07 4.94 0.06 2.28 1.01 -0.68 -5.03 120.40 119.90 1jdy s VAL 46 Ca 0.06 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1jdy s VAL 46 Cb 0.09 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1jdy s VAL 46 CO 0.28 -0.03 1.84 -0.70 0.00 0.00 0.00 175.10 176.49 1jdy s GLU 47 N 2.61 4.15 0.15 2.72 2.12 -1.26 -4.88 118.70 124.32 1jdy s GLU 47 Ca 0.28 2.51 -0.12 0.00 0.36 0.00 0.00 54.97 57.99 1jdy s GLU 47 Cb -0.15 -3.88 0.15 0.00 0.26 0.00 0.00 34.13 30.50 1jdy s GLU 47 CO 0.09 -0.87 1.05 -2.30 -0.54 0.00 0.00 175.26 172.69 1jdy n PRO 48 N 6.63 -0.17 0.28 4.30 -0.02 -1.26 -0.46 135.00 144.30 1jdy n PRO 48 Ca 0.18 1.04 0.13 0.00 -2.02 0.00 0.00 63.50 62.84 1jdy n PRO 48 Cb 0.40 -1.54 0.80 0.00 -0.02 0.00 0.00 33.50 33.14 1jdy n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdy h ALA 49 N 0.90 1.40 0.00 3.55 0.00 -2.02 -1.42 119.26 121.66 1jdy h ALA 49 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jdy h ALA 49 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jdy h ALA 49 CO -0.67 0.09 -0.42 1.04 0.00 0.00 0.00 179.25 179.29 1jdy n GLN 50 N -3.75 0.08 -0.13 0.00 6.02 0.39 -4.56 117.38 115.43 1jdy n GLN 50 Ca -0.02 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1jdy n GLN 50 Cb 0.17 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 1jdy n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jdy h ARG 51 N 0.00 0.57 -0.68 -1.09 3.08 -1.07 -2.85 114.38 112.33 1jdy h ARG 51 Ca 0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1jdy h ARG 51 Cb 0.57 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1jdy h ARG 51 CO 0.00 0.49 0.33 0.37 -1.07 0.00 0.00 179.97 180.09 1jdy h GLN 52 N 0.50 0.97 -0.00 0.04 5.75 -1.70 -2.15 115.11 118.52 1jdy h GLN 52 Ca 0.14 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1jdy h GLN 52 Cb 0.11 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.47 1jdy h GLN 52 CO -0.02 0.75 -0.22 0.39 -2.65 0.00 0.00 178.83 177.08 1jdy n GLU 53 N -4.34 0.44 -2.84 1.69 -0.58 -1.24 -3.65 120.64 110.13 1jdy n GLU 53 Ca 0.06 -0.19 -0.40 0.00 -0.42 0.00 0.00 57.16 56.21 1jdy n GLU 53 Cb 0.13 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 1jdy n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jdy s ALA 54 N -2.69 3.31 -0.12 0.62 0.00 -0.92 -4.94 121.76 117.02 1jdy s ALA 54 Ca 0.21 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1jdy s ALA 54 Cb 0.19 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1jdy s ALA 54 CO 0.55 0.04 -0.15 0.99 0.00 0.00 0.00 175.76 177.19 1jdy s THR 55 N -0.16 2.90 -0.07 0.00 2.01 -1.26 -2.48 115.64 116.58 1jdy s THR 55 Ca 0.43 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1jdy s THR 55 Cb -0.22 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1jdy s THR 55 CO 0.27 0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.90 1jdy s LEU 56 N 0.24 3.11 0.18 4.42 1.43 -0.67 -0.98 118.68 126.41 1jdy s LEU 56 Ca -0.10 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 1jdy s LEU 56 Cb -0.16 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 1jdy s LEU 56 CO 0.06 0.34 0.50 -0.69 0.23 0.00 0.00 176.35 176.79 1jdy s VAL 57 N -0.69 4.97 0.00 -1.59 1.01 -0.69 -1.82 120.40 121.60 1jdy s VAL 57 Ca 0.10 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1jdy s VAL 57 Cb -0.11 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1jdy s VAL 57 CO 0.02 0.04 0.01 -0.69 0.00 0.00 0.00 175.10 174.47 1jdy s VAL 58 N -1.69 0.04 0.00 2.92 1.01 -0.63 -1.21 120.40 120.85 1jdy s VAL 58 Ca 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1jdy s VAL 58 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1jdy s VAL 58 CO 0.21 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1jdy n GLY 59 N 2.46 2.15 3.81 4.51 0.00 -1.07 -2.90 105.19 114.15 1jdy n GLY 59 Ca -0.17 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1jdy n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdy s GLY 60 N 0.00 0.34 0.00 -0.02 0.00 -0.62 -1.15 107.32 105.87 1jdy s GLY 60 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1jdy s GLY 60 CO 0.00 -0.30 0.79 2.09 0.00 0.00 0.00 173.10 175.68 1jdy n ASP 61 N -1.31 0.00 0.00 1.64 5.68 -0.85 -3.58 116.55 118.14 1jdy n ASP 61 Ca -0.08 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 1jdy n ASP 61 Cb 0.60 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1jdy n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jdy n GLY 62 N -1.29 0.89 3.47 6.12 0.00 -1.26 -2.69 105.19 110.43 1jdy n GLY 62 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1jdy n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jdy n ARG 63 N -2.00 -0.97 -1.49 1.61 1.85 -1.26 -4.20 116.66 110.19 1jdy n ARG 63 Ca 0.00 -0.24 -0.41 0.00 -1.00 0.00 0.00 57.85 56.19 1jdy n ARG 63 Cb 0.00 -2.02 0.01 0.00 -1.05 0.00 0.00 32.46 29.40 1jdy n ARG 63 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1jdy n PHE 64 N -4.18 -0.10 -0.39 2.89 7.35 0.85 -2.63 117.46 121.24 1jdy n PHE 64 Ca 0.06 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 1jdy n PHE 64 Cb 0.55 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 38.33 1jdy n PHE 64 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1jdy n TYR 65 N -0.84 0.00 -0.32 -5.13 4.19 -1.26 -4.74 117.16 109.06 1jdy n TYR 65 Ca 0.11 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.36 1jdy n TYR 65 Cb 0.40 -0.37 0.19 0.00 0.49 0.00 0.00 39.34 40.05 1jdy n TYR 65 CO 0.00 0.00 0.00 1.98 0.91 0.00 0.00 176.86 179.75 1jdy h MET 66 N 1.72 0.88 -0.54 2.98 4.05 -1.82 -2.67 114.93 119.54 1jdy h MET 66 Ca 0.00 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 1jdy h MET 66 Cb 0.00 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1jdy h MET 66 CO 0.00 0.58 0.01 0.87 0.23 0.00 0.00 176.91 178.61 1jdy h LYS 67 N 0.91 0.91 -0.12 0.39 1.57 -1.91 -1.57 116.57 116.75 1jdy h LYS 67 Ca 0.43 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1jdy h LYS 67 Cb 0.36 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jdy h LYS 67 CO -0.24 0.89 0.03 0.93 -0.57 0.00 0.00 179.45 180.49 1jdy h GLU 68 N 0.84 0.19 -0.63 3.15 3.07 -1.91 -1.48 114.58 117.81 1jdy h GLU 68 Ca 0.16 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1jdy h GLU 68 Cb 0.48 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1jdy h GLU 68 CO 0.02 0.37 0.38 0.00 -1.40 0.00 0.00 179.01 178.38 1jdy h ALA 69 N 0.81 0.80 -0.25 3.43 0.00 -1.45 -1.61 119.26 120.99 1jdy h ALA 69 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jdy h ALA 69 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jdy h ALA 69 CO 0.00 0.28 0.10 0.82 0.00 0.00 0.00 179.25 180.44 1jdy h ILE 70 N 0.85 0.95 -0.07 0.00 2.04 -1.07 0.27 117.51 120.48 1jdy h ILE 70 Ca 0.22 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1jdy h ILE 70 Cb -0.02 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1jdy h ILE 70 CO -0.04 0.04 0.07 1.56 0.00 0.00 0.00 178.15 179.78 1jdy h GLN 71 N 0.22 0.00 -0.06 2.37 1.08 -0.91 -0.55 115.11 117.26 1jdy h GLN 71 Ca 0.11 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.18 1jdy h GLN 71 Cb 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1jdy h GLN 71 CO -0.10 0.00 -0.48 -0.07 -0.95 0.00 0.00 178.83 177.22 1jdy h LEU 72 N 0.00 0.52 -0.23 1.46 3.38 0.38 -2.91 115.31 117.92 1jdy h LEU 72 Ca 0.03 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.34 1jdy h LEU 72 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1jdy h LEU 72 CO -0.00 1.13 0.07 0.40 0.09 0.00 0.00 178.44 180.13 1jdy h ILE 73 N -0.04 0.93 0.31 1.22 2.04 0.62 -2.07 117.51 120.53 1jdy h ILE 73 Ca -0.04 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jdy h ILE 73 Cb 1.16 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1jdy h ILE 73 CO 0.10 0.03 -0.48 0.58 0.00 0.00 0.00 178.15 178.38 1jdy h VAL 74 N 0.17 0.07 -0.96 1.67 2.07 -1.24 0.13 116.25 118.16 1jdy h VAL 74 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1jdy h VAL 74 Cb 0.08 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.84 1jdy h VAL 74 CO -0.11 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.13 1jdy h ARG 75 N -0.84 0.97 0.00 1.57 3.08 -1.31 0.82 114.38 118.67 1jdy h ARG 75 Ca -0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1jdy h ARG 75 Cb 0.79 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1jdy h ARG 75 CO -0.16 0.64 -0.00 0.82 -1.07 0.00 0.00 179.97 180.20 1jdy h ILE 76 N 1.00 1.65 -0.97 2.04 2.04 -1.29 -2.11 117.51 119.87 1jdy h ILE 76 Ca 0.45 -2.15 0.19 0.00 1.00 0.00 0.00 64.86 64.35 1jdy h ILE 76 Cb 0.38 3.07 -0.11 0.00 -0.74 0.00 0.00 36.82 39.43 1jdy h ILE 76 CO -0.21 0.54 0.56 0.00 0.00 0.00 0.00 178.15 179.05 1jdy h ALA 77 N -0.02 1.59 0.66 1.87 0.00 -0.41 0.43 119.26 123.39 1jdy h ALA 77 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jdy h ALA 77 Cb 0.89 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jdy h ALA 77 CO 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 179.25 178.84 1jdy h ALA 78 N 1.64 -0.88 0.00 0.00 0.00 -0.92 -1.61 119.26 117.49 1jdy h ALA 78 Ca 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1jdy h ALA 78 Cb 0.90 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jdy h ALA 78 CO -0.40 -0.96 -0.09 0.00 0.00 0.00 0.00 179.25 177.81 1jdy h ALA 79 N -0.67 1.59 -0.00 0.00 0.00 -1.14 -2.75 119.26 116.29 1jdy h ALA 79 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jdy h ALA 79 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1jdy h ALA 79 CO 0.15 0.11 -0.05 0.09 0.00 0.00 0.00 179.25 179.54 1jdy n ASN 80 N -4.05 0.20 0.00 0.00 3.02 0.11 -4.89 115.26 109.65 1jdy n ASN 80 Ca -0.03 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1jdy n ASN 80 Cb 0.17 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1jdy n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdy n GLY 81 N 1.28 0.62 3.68 7.41 0.00 -1.03 -5.03 105.19 112.12 1jdy n GLY 81 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1jdy n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdy s ILE 82 N -2.00 3.73 0.02 -0.61 -1.09 -0.62 -2.53 121.20 118.10 1jdy s ILE 82 Ca 0.00 1.07 -0.26 0.00 -2.23 0.00 0.00 60.65 59.24 1jdy s ILE 82 Cb 0.00 -3.69 -0.17 0.00 -1.58 0.00 0.00 42.46 37.02 1jdy s ILE 82 CO 0.00 -0.02 1.36 1.23 -1.23 0.00 0.00 174.94 176.27 1jdy h GLY 83 N 8.70 -0.33 -5.06 6.18 0.00 -1.45 -3.42 103.07 107.69 1jdy h GLY 83 Ca -0.37 0.12 -0.32 0.00 0.00 0.00 0.00 47.33 46.76 1jdy h GLY 83 CO 0.92 -0.12 -0.75 -1.60 0.00 0.00 0.00 176.54 174.98 1jdy s ARG 84 N -4.96 0.53 -0.12 4.80 3.52 -1.03 -2.01 118.95 119.67 1jdy s ARG 84 Ca -0.15 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1jdy s ARG 84 Cb 0.03 -0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.02 1jdy s ARG 84 CO 0.59 0.10 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.57 1jdy s LEU 85 N -0.80 1.42 -0.47 -0.88 1.43 -0.49 -1.67 118.68 117.22 1jdy s LEU 85 Ca -0.03 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1jdy s LEU 85 Cb -0.06 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.25 1jdy s LEU 85 CO 0.00 -0.07 0.47 -0.69 0.23 0.00 0.00 176.35 176.29 1jdy s VAL 86 N 1.47 5.09 -0.10 -1.59 1.01 -0.76 -0.78 120.40 124.74 1jdy s VAL 86 Ca 0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1jdy s VAL 86 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1jdy s VAL 86 CO -0.07 -0.60 0.05 -0.63 0.00 0.00 0.00 175.10 173.86 1jdy s ILE 87 N 2.08 4.75 0.65 2.22 1.01 -0.77 -1.60 121.20 129.53 1jdy s ILE 87 Ca 0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1jdy s ILE 87 Cb -0.21 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1jdy s ILE 87 CO 0.10 0.61 1.10 -0.83 0.00 0.00 0.00 174.94 175.92 1jdy s GLY 88 N -0.93 2.13 0.12 6.18 0.00 -1.14 -2.17 107.32 111.51 1jdy s GLY 88 Ca 0.14 0.50 -0.34 0.00 0.00 0.00 0.00 44.72 45.02 1jdy s GLY 88 CO 0.03 0.85 1.64 -0.18 0.00 0.00 0.00 173.10 175.44 1jdy n GLN 89 N -2.36 2.19 -0.97 2.90 7.27 0.05 -0.95 117.38 125.51 1jdy n GLN 89 Ca 0.10 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.96 1jdy n GLN 89 Cb 0.52 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.59 1jdy n GLN 89 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jdy n ASN 90 N 4.08 -4.18 0.00 1.69 3.02 0.14 -1.64 115.26 118.36 1jdy n ASN 90 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1jdy n ASN 90 Cb 0.29 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 1jdy n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdy n GLY 91 N -0.84 1.31 3.66 7.41 0.00 -0.13 -4.95 105.19 111.65 1jdy n GLY 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jdy n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdy s ILE 92 N -2.90 4.74 -0.19 -0.61 1.01 -0.65 -1.59 121.20 121.00 1jdy s ILE 92 Ca 0.00 1.95 -0.07 0.00 0.00 0.00 0.00 60.65 62.53 1jdy s ILE 92 Cb 0.00 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1jdy s ILE 92 CO 0.00 -0.11 0.41 -0.22 0.00 0.00 0.00 174.94 175.02 1jdy s LEU 93 N 2.83 -0.55 0.90 2.97 2.96 -1.23 -3.82 118.68 122.74 1jdy s LEU 93 Ca 0.43 0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 55.19 1jdy s LEU 93 Cb -0.16 1.33 0.13 0.00 0.50 0.00 0.00 46.19 47.99 1jdy s LEU 93 CO 0.09 -0.23 1.10 -0.94 -1.32 0.00 0.00 176.35 175.05 1jdy s SER 94 N 2.41 3.46 0.09 3.68 1.04 -1.26 -3.66 113.70 119.46 1jdy s SER 94 Ca -0.03 1.37 -0.19 0.00 0.48 0.00 0.00 55.95 57.58 1jdy s SER 94 Cb -0.11 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 1jdy s SER 94 CO -0.13 -2.63 1.58 0.74 0.98 0.00 0.00 173.24 173.79 1jdy h THR 95 N -1.55 1.21 0.00 2.02 2.02 -1.64 -0.21 112.91 114.77 1jdy h THR 95 Ca -0.50 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 1jdy h THR 95 Cb 1.29 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1jdy h THR 95 CO 0.56 0.23 -0.18 1.55 0.37 0.00 0.00 175.52 178.05 1jdy h PRO 96 N 0.23 0.00 0.09 6.66 0.13 -1.77 -2.60 132.00 134.73 1jdy h PRO 96 Ca 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1jdy h PRO 96 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1jdy h PRO 96 CO 0.00 0.18 -0.04 0.00 -0.23 0.00 0.00 178.00 177.91 1jdy h ALA 97 N 1.82 -0.12 -0.91 -0.56 0.00 -1.77 -1.98 119.26 115.74 1jdy h ALA 97 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jdy h ALA 97 Cb 0.32 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1jdy h ALA 97 CO 0.02 -0.42 0.56 0.28 0.00 0.00 0.00 179.25 179.69 1jdy h VAL 98 N -0.40 1.00 -0.47 0.00 2.07 -0.73 -0.65 116.25 117.07 1jdy h VAL 98 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jdy h VAL 98 Cb 0.34 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1jdy h VAL 98 CO 0.02 0.18 0.27 -1.28 0.02 0.00 0.00 177.57 176.78 1jdy h SER 99 N 0.97 0.57 -0.16 0.57 0.87 -1.37 -2.12 113.55 112.89 1jdy h SER 99 Ca 0.42 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1jdy h SER 99 Cb 0.28 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1jdy h SER 99 CO -0.21 0.47 -0.03 0.00 -0.53 0.00 0.00 176.83 176.53 1jdy h ILE 101 N 0.01 1.28 -0.67 0.00 2.04 -1.07 -1.95 117.51 117.14 1jdy h ILE 101 Ca 0.07 -0.91 0.14 0.00 1.00 0.00 0.00 64.86 65.17 1jdy h ILE 101 Cb 0.11 1.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.73 1jdy h ILE 101 CO -0.15 0.26 -0.08 0.40 0.00 0.00 0.00 178.15 178.58 1jdy h ILE 102 N -0.10 0.38 -0.40 -0.67 2.04 -1.31 -0.44 117.51 117.01 1jdy h ILE 102 Ca 0.03 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1jdy h ILE 102 Cb 0.41 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1jdy h ILE 102 CO 0.01 0.01 -0.03 0.03 0.00 0.00 0.00 178.15 178.16 1jdy h ARG 103 N 0.06 0.72 0.95 2.37 3.08 -1.47 0.34 114.38 120.43 1jdy h ARG 103 Ca 0.34 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1jdy h ARG 103 Cb 0.56 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1jdy h ARG 103 CO -0.64 0.83 -0.48 -0.22 -1.07 0.00 0.00 179.97 178.40 1jdy h LYS 104 N 0.54 -1.26 -0.18 0.04 3.64 -0.42 -3.17 116.57 115.77 1jdy h LYS 104 Ca 0.11 0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1jdy h LYS 104 Cb 0.53 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1jdy h LYS 104 CO 0.03 -0.84 0.00 0.44 -2.27 0.00 0.00 179.45 176.81 1jdy n ILE 105 N -5.65 0.24 -3.70 2.00 -5.35 -0.29 -4.92 119.36 101.69 1jdy n ILE 105 Ca -0.16 -0.27 -0.22 0.00 -0.27 0.00 0.00 62.75 61.83 1jdy n ILE 105 Cb 0.52 0.14 0.04 0.00 -1.74 0.00 0.00 39.64 38.60 1jdy n ILE 105 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jdy n LYS 106 N 0.07 -5.06 -1.59 6.28 4.76 -0.72 -4.99 118.16 116.91 1jdy n LYS 106 Ca 0.10 0.63 -0.31 0.00 -2.87 0.00 0.00 58.31 55.86 1jdy n LYS 106 Cb 0.20 -5.24 0.05 0.00 -1.84 0.00 0.00 35.03 28.21 1jdy n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jdy s ALA 107 N -3.63 2.59 0.33 7.82 0.00 0.03 -4.87 121.76 124.03 1jdy s ALA 107 Ca 0.05 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.40 1jdy s ALA 107 Cb -0.03 -3.21 0.96 0.00 0.00 0.00 0.00 23.12 20.84 1jdy s ALA 107 CO 0.81 -1.27 1.89 0.97 0.00 0.00 0.00 175.76 178.15 1jdy h ILE 108 N -0.59 0.91 0.00 0.00 2.10 -1.39 -3.39 117.51 115.15 1jdy h ILE 108 Ca -0.44 -1.07 0.00 0.00 1.08 0.00 0.00 64.86 64.43 1jdy h ILE 108 Cb 1.22 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 1jdy h ILE 108 CO 0.56 0.27 0.00 0.61 -1.08 0.00 0.00 178.15 178.51 1jdy n GLY 109 N -0.35 -1.41 3.15 8.18 0.00 -1.26 -0.04 105.19 113.46 1jdy n GLY 109 Ca -0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1jdy n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdy s GLY 110 N 0.00 0.12 -0.27 -0.02 0.00 -0.70 -1.70 107.32 104.76 1jdy s GLY 110 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 1jdy s GLY 110 CO 0.00 -0.63 -0.01 -0.42 0.00 0.00 0.00 173.10 172.03 1jdy s ILE 111 N -2.76 3.20 -0.26 0.90 1.01 -0.35 -1.16 121.20 121.78 1jdy s ILE 111 Ca -0.04 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1jdy s ILE 111 Cb -0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1jdy s ILE 111 CO -0.05 0.14 0.10 -0.63 0.00 0.00 0.00 174.94 174.49 1jdy s ILE 112 N 1.37 4.54 -0.89 2.92 1.01 -0.05 -2.59 121.20 127.51 1jdy s ILE 112 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 1jdy s ILE 112 Cb -0.17 -3.14 0.09 0.00 0.01 0.00 0.00 42.46 39.25 1jdy s ILE 112 CO -0.02 0.31 1.21 -0.76 0.00 0.00 0.00 174.94 175.68 1jdy s LEU 113 N 1.65 4.31 -0.06 2.97 2.01 -0.30 -1.36 118.68 127.90 1jdy s LEU 113 Ca 0.06 -1.55 -0.21 0.00 0.01 0.00 0.00 54.13 52.45 1jdy s LEU 113 Cb -0.15 -2.47 0.04 0.00 0.01 0.00 0.00 46.19 43.62 1jdy s LEU 113 CO 0.05 -1.33 0.47 0.28 1.01 0.00 0.00 176.35 176.83 1jdy s THR 114 N 3.87 0.03 0.04 5.49 -1.32 -1.16 -2.00 115.64 120.59 1jdy s THR 114 Ca 0.35 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1jdy s THR 114 Cb -0.06 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1jdy s THR 114 CO -0.04 -0.12 0.00 0.00 -2.21 0.00 0.00 174.62 172.24 1jdy n ALA 115 N 1.46 3.00 0.00 11.08 0.00 -1.26 -3.44 120.51 131.35 1jdy n ALA 115 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jdy n ALA 115 Cb 0.56 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1jdy n ALA 115 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jdy n HIS 117 N -3.12 0.00 -1.97 0.00 1.44 -1.26 -4.79 115.22 105.51 1jdy n HIS 117 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1jdy n HIS 117 Cb 0.31 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 1jdy n HIS 117 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1jdy s ASN 118 N -0.06 6.63 1.07 4.39 -0.87 -1.26 -3.82 114.94 121.02 1jdy s ASN 118 Ca 0.00 2.58 -0.18 0.00 -1.57 0.00 0.00 52.86 53.70 1jdy s ASN 118 Cb 0.00 -2.60 0.07 0.00 -0.02 0.00 0.00 41.25 38.70 1jdy s ASN 118 CO 0.00 -0.79 0.00 -0.81 -2.57 0.00 0.00 177.10 172.94 1jdy n PRO 119 N 3.77 -1.20 -4.08 -0.60 -0.04 -1.26 -4.76 135.00 126.83 1jdy n PRO 119 Ca 0.13 -0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 1jdy n PRO 119 Cb 0.39 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1jdy n PRO 119 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jdy s GLY 120 N -1.82 0.71 0.00 0.55 0.00 -1.26 -0.66 107.32 104.83 1jdy s GLY 120 Ca 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1jdy s GLY 120 CO 0.67 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1jdy n GLY 121 N -0.05 0.66 0.35 0.20 0.00 -1.22 -4.40 105.19 100.73 1jdy n GLY 121 Ca -0.09 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.81 1jdy n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jdy h PRO 122 N 8.36 1.17 -0.91 1.61 0.11 -1.93 -1.76 132.00 138.65 1jdy h PRO 122 Ca 0.00 -0.07 -0.36 0.00 0.11 0.00 0.00 66.00 65.68 1jdy h PRO 122 Cb 0.00 -0.26 -0.21 0.00 0.11 0.00 0.00 31.00 30.63 1jdy h PRO 122 CO 0.00 0.77 0.45 0.09 -0.21 0.00 0.00 178.00 179.11 1jdy n ASN 123 N -4.47 4.08 -1.98 -2.05 4.13 -1.26 -4.32 115.26 109.38 1jdy n ASN 123 Ca 0.11 -3.31 0.00 0.00 1.68 0.00 0.00 54.58 53.06 1jdy n ASN 123 Cb 0.05 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 1jdy n ASN 123 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdy n GLY 124 N -0.62 3.05 3.94 7.41 0.00 -0.66 -4.95 105.19 113.36 1jdy n GLY 124 Ca 0.47 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 1jdy n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jdy s ASP 125 N -0.99 6.35 -0.03 1.61 3.68 0.17 -0.69 116.67 126.77 1jdy s ASP 125 Ca 0.00 0.21 -0.01 0.00 2.13 0.00 0.00 52.55 54.89 1jdy s ASP 125 Cb 0.00 -1.93 0.03 0.00 -1.45 0.00 0.00 42.92 39.57 1jdy s ASP 125 CO 0.00 0.05 0.04 0.12 0.13 0.00 0.00 175.17 175.51 1jdy s PHE 126 N -1.73 0.07 0.29 -5.34 2.19 -0.78 -4.60 117.98 108.09 1jdy s PHE 126 Ca 0.35 0.17 0.07 0.00 0.33 0.00 0.00 56.93 57.85 1jdy s PHE 126 Cb -0.11 -0.35 -0.06 0.00 -1.31 0.00 0.00 43.02 41.18 1jdy s PHE 126 CO 0.28 -0.14 -0.07 0.20 1.83 0.00 0.00 175.22 177.33 1jdy s GLY 127 N 1.52 1.91 -0.41 13.12 0.00 -1.22 -1.57 107.32 120.66 1jdy s GLY 127 Ca -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.76 1jdy s GLY 127 CO -0.03 -1.89 0.24 -0.42 0.00 0.00 0.00 173.10 171.00 1jdy s ILE 128 N -2.91 0.97 -0.10 0.90 1.01 -1.05 -2.99 121.20 117.02 1jdy s ILE 128 Ca 0.30 -2.29 -0.27 0.00 0.00 0.00 0.00 60.65 58.39 1jdy s ILE 128 Cb 0.03 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1jdy s ILE 128 CO 0.13 -0.94 0.88 -0.75 0.00 0.00 0.00 174.94 174.26 1jdy s LYS 129 N 0.56 4.40 -0.21 2.79 2.20 -0.47 -2.88 119.74 126.14 1jdy s LYS 129 Ca 0.18 1.17 -0.10 0.00 -0.36 0.00 0.00 55.97 56.86 1jdy s LYS 129 Cb -0.23 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1jdy s LYS 129 CO -0.00 -0.21 0.15 0.12 -0.36 0.00 0.00 175.35 175.04 1jdy s PHE 130 N 1.68 3.38 0.04 4.03 5.99 -1.26 -0.87 117.98 130.97 1jdy s PHE 130 Ca 0.43 0.31 0.03 0.00 0.00 0.00 0.00 56.93 57.70 1jdy s PHE 130 Cb -0.18 -2.20 -0.04 0.00 0.00 0.00 0.00 43.02 40.60 1jdy s PHE 130 CO 0.18 0.22 -0.01 -0.80 -0.00 0.00 0.00 175.22 174.80 1jdy s ASN 131 N 0.59 4.99 0.43 6.13 -0.87 -0.31 -1.11 114.94 124.79 1jdy s ASN 131 Ca 0.08 -0.11 0.07 0.00 -1.57 0.00 0.00 52.86 51.33 1jdy s ASN 131 Cb -0.12 -1.23 0.07 0.00 -0.02 0.00 0.00 41.25 39.95 1jdy s ASN 131 CO 0.00 0.23 0.60 2.30 -2.57 0.00 0.00 177.10 177.66 1jdy n ILE 132 N 1.04 0.00 -0.29 0.60 -5.35 0.66 -1.71 119.36 114.31 1jdy n ILE 132 Ca -0.13 -1.43 0.24 0.00 -0.27 0.00 0.00 62.75 61.16 1jdy n ILE 132 Cb 0.52 -0.65 0.57 0.00 -1.74 0.00 0.00 39.64 38.34 1jdy n ILE 132 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1jdy h SER 133 N 0.07 0.33 0.20 7.28 4.64 -0.65 0.87 113.55 126.29 1jdy h SER 133 Ca -0.20 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1jdy h SER 133 Cb 0.92 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jdy h SER 133 CO 0.29 0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 175.87 1jdy n ASN 134 N -4.50 0.00 0.00 4.97 6.94 -1.26 -4.51 115.26 116.90 1jdy n ASN 134 Ca 0.23 -0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1jdy n ASN 134 Cb 0.90 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1jdy n ASN 134 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jdy n GLY 135 N 0.09 1.13 3.98 4.83 0.00 0.30 -4.60 105.19 110.92 1jdy n GLY 135 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1jdy n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdy s GLY 136 N -1.90 1.80 0.66 -0.02 0.00 -1.25 -4.48 107.32 102.13 1jdy s GLY 136 Ca 0.00 -1.47 -0.18 0.00 0.00 0.00 0.00 44.72 43.08 1jdy s GLY 136 CO 0.00 -1.09 1.26 -1.05 0.00 0.00 0.00 173.10 172.22 1jdy n PRO 137 N -2.50 1.02 -1.88 2.90 -0.02 -1.26 -0.25 135.00 133.01 1jdy n PRO 137 Ca 0.10 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1jdy n PRO 137 Cb 0.60 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1jdy n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdy s ALA 138 N -1.46 3.56 0.68 3.55 0.00 -0.27 -4.49 121.76 123.34 1jdy s ALA 138 Ca 0.82 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 54.16 1jdy s ALA 138 Cb -0.38 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.17 1jdy s ALA 138 CO 0.42 -0.95 1.08 -1.25 0.00 0.00 0.00 175.76 175.05 1jdy s PRO 139 N -1.97 3.06 0.31 0.00 0.04 -1.26 -4.71 135.00 130.46 1jdy s PRO 139 Ca 0.52 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1jdy s PRO 139 Cb -0.45 -2.03 0.85 0.00 0.04 0.00 0.00 34.50 32.90 1jdy s PRO 139 CO 0.60 -0.92 1.63 0.93 0.04 0.00 0.00 177.00 179.28 1jdy h GLU 140 N -0.57 0.16 -0.29 4.56 5.08 -1.98 0.03 114.58 121.57 1jdy h GLU 140 Ca -0.45 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 57.99 1jdy h GLU 140 Cb 1.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1jdy h GLU 140 CO 0.63 0.11 0.24 0.00 -1.00 0.00 0.00 179.01 178.99 1jdy h ALA 141 N 1.85 2.11 0.04 3.43 0.00 -1.99 0.88 119.26 125.59 1jdy h ALA 141 Ca 0.62 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.23 1jdy h ALA 141 Cb 1.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1jdy h ALA 141 CO -0.71 -0.39 -1.57 -0.89 0.00 0.00 0.00 179.25 175.69 1jdy n ILE 142 N -4.15 1.61 -0.31 0.00 2.08 -0.09 -3.20 119.36 115.30 1jdy n ILE 142 Ca 0.04 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1jdy n ILE 142 Cb 0.40 -1.93 0.18 0.00 -0.75 0.00 0.00 39.64 37.54 1jdy n ILE 142 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1jdy h THR 143 N -0.66 1.19 -0.18 1.39 1.35 -0.53 -1.78 112.91 113.70 1jdy h THR 143 Ca -0.39 -0.40 -0.16 0.00 -0.55 0.00 0.00 66.41 64.90 1jdy h THR 143 Cb 1.55 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1jdy h THR 143 CO -0.13 0.21 -0.56 0.44 -0.25 0.00 0.00 175.52 175.24 1jdy h ASP 144 N 1.18 0.61 -0.71 5.36 3.32 -1.04 -1.88 116.42 123.25 1jdy h ASP 144 Ca 0.34 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1jdy h ASP 144 Cb -0.06 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1jdy h ASP 144 CO -0.09 1.04 0.32 0.50 -1.72 0.00 0.00 179.24 179.29 1jdy h LYS 145 N 0.42 1.06 -0.39 3.56 3.64 -1.40 0.16 116.57 123.63 1jdy h LYS 145 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1jdy h LYS 145 Cb 1.10 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1jdy h LYS 145 CO 0.10 0.84 0.25 0.82 -2.27 0.00 0.00 179.45 179.19 1jdy h ILE 146 N 1.05 1.11 0.18 2.00 2.04 -1.17 -2.40 117.51 120.32 1jdy h ILE 146 Ca 0.25 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1jdy h ILE 146 Cb 0.15 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1jdy h ILE 146 CO -0.03 0.11 -0.21 0.15 0.00 0.00 0.00 178.15 178.17 1jdy h PHE 147 N 0.52 -0.55 -0.73 1.37 -0.00 -0.41 0.14 116.94 117.28 1jdy h PHE 147 Ca 0.14 0.01 0.05 0.00 -0.00 0.00 0.00 57.97 58.16 1jdy h PHE 147 Cb -0.03 0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 36.09 1jdy h PHE 147 CO -0.04 -0.31 0.44 1.96 -0.00 0.00 0.00 178.31 180.36 1jdy h GLN 148 N -0.43 0.81 -0.34 1.11 1.08 -0.61 -1.89 115.11 114.83 1jdy h GLN 148 Ca 0.01 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1jdy h GLN 148 Cb 0.42 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1jdy h GLN 148 CO -0.07 0.53 0.09 0.82 -0.95 0.00 0.00 178.83 179.25 1jdy h ILE 149 N 0.83 1.22 0.00 2.54 2.04 -1.16 -2.11 117.51 120.87 1jdy h ILE 149 Ca 0.31 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1jdy h ILE 149 Cb 0.10 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1jdy h ILE 149 CO -0.14 0.25 -0.08 0.77 0.00 0.00 0.00 178.15 178.94 1jdy h SER 150 N 0.40 0.00 0.66 1.72 4.64 -0.15 -0.14 113.55 120.67 1jdy h SER 150 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 1jdy h SER 150 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1jdy h SER 150 CO -0.00 0.08 -1.21 0.11 -0.87 0.00 0.00 176.83 174.94 1jdy h LYS 151 N 0.00 0.25 -0.27 4.77 1.57 -0.91 -3.27 116.57 118.72 1jdy h LYS 151 Ca -0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1jdy h LYS 151 Cb 0.20 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jdy h LYS 151 CO 0.01 1.20 0.00 0.25 -0.57 0.00 0.00 179.45 180.34 1jdy n THR 152 N -3.53 0.51 -1.68 -0.16 -2.24 -0.84 -4.68 114.28 101.67 1jdy n THR 152 Ca -0.08 -0.75 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 1jdy n THR 152 Cb 1.01 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 70.12 1jdy n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jdy n ILE 153 N 0.94 0.51 -0.11 2.28 3.06 -0.11 -4.92 119.36 121.01 1jdy n ILE 153 Ca 0.13 -0.09 -0.24 0.00 -2.50 0.00 0.00 62.75 60.05 1jdy n ILE 153 Cb 0.46 -2.19 -0.11 0.00 0.54 0.00 0.00 39.64 38.33 1jdy n ILE 153 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1jdy n GLU 154 N 6.32 0.62 -4.10 9.51 0.00 -1.26 -3.13 120.64 128.61 1jdy n GLU 154 Ca 0.19 0.30 -0.12 0.00 0.00 0.00 0.00 57.16 57.53 1jdy n GLU 154 Cb 0.38 -1.58 -0.11 0.00 0.00 0.00 0.00 31.44 30.14 1jdy n GLU 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1jdy s GLU 155 N -2.49 0.63 -0.02 5.31 -1.05 -1.26 0.10 118.70 119.92 1jdy s GLU 155 Ca -0.34 -0.94 0.04 0.00 -0.15 0.00 0.00 54.97 53.59 1jdy s GLU 155 Cb 0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.52 1jdy s GLU 155 CO 0.57 0.03 -0.14 1.52 0.95 0.00 0.00 175.26 178.19 1jdy s TYR 156 N -2.07 1.33 -0.07 4.83 -0.85 -0.05 -4.91 117.35 115.56 1jdy s TYR 156 Ca -0.03 -0.28 -0.24 0.00 -0.52 0.00 0.00 57.07 56.00 1jdy s TYR 156 Cb -0.05 -0.87 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 1jdy s TYR 156 CO -0.01 -0.05 0.71 0.00 -1.52 0.00 0.00 175.55 174.67 1jdy s ALA 157 N -0.23 3.34 0.06 9.51 0.00 -1.26 -0.59 121.76 132.59 1jdy s ALA 157 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1jdy s ALA 157 Cb -0.07 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1jdy s ALA 157 CO -0.00 -0.13 -0.05 -1.50 0.00 0.00 0.00 175.76 174.08 1jdy s ILE 158 N 0.85 0.42 -0.79 0.00 2.07 0.33 -4.50 121.20 119.58 1jdy s ILE 158 Ca 0.38 -1.52 -0.03 0.00 -1.41 0.00 0.00 60.65 58.06 1jdy s ILE 158 Cb -0.18 -1.14 0.20 0.00 0.13 0.00 0.00 42.46 41.47 1jdy s ILE 158 CO 0.18 -0.73 0.66 0.00 -1.91 0.00 0.00 174.94 173.14 1jdy h PRO 160 N 6.55 0.14 0.00 0.00 0.13 -1.89 -3.11 132.00 133.82 1jdy h PRO 160 Ca 0.09 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 1jdy h PRO 160 Cb 0.89 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1jdy h PRO 160 CO 0.79 0.09 -0.25 0.38 -0.23 0.00 0.00 178.00 178.78 1jdy h ASP 161 N 0.14 0.00 -3.45 1.44 2.03 -1.94 -3.46 116.42 111.19 1jdy h ASP 161 Ca 0.32 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.10 1jdy h ASP 161 Cb 0.51 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.06 1jdy h ASP 161 CO -0.50 0.25 0.71 -0.22 -1.03 0.00 0.00 179.24 178.45 1jdy s LEU 162 N -7.79 4.40 -0.40 0.15 0.20 -1.18 -5.03 118.68 109.04 1jdy s LEU 162 Ca -0.03 2.59 0.04 0.00 0.69 0.00 0.00 54.13 57.42 1jdy s LEU 162 Cb 0.14 -3.62 0.16 0.00 -0.43 0.00 0.00 46.19 42.44 1jdy s LEU 162 CO 0.67 -0.62 0.42 -0.75 -0.29 0.00 0.00 176.35 175.77 1jdy s LYS 163 N -0.49 0.74 0.95 1.98 2.20 -1.26 -4.89 119.74 118.98 1jdy s LYS 163 Ca 0.57 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 1jdy s LYS 163 Cb -0.40 -0.73 0.17 0.00 -1.51 0.00 0.00 37.83 35.36 1jdy s LYS 163 CO 0.43 -1.24 1.13 1.55 -0.36 0.00 0.00 175.35 176.86 1jdy n VAL 164 N 3.89 0.00 -3.94 4.02 3.14 -1.26 -5.00 118.33 119.18 1jdy n VAL 164 Ca 0.15 -0.06 -0.35 0.00 -2.96 0.00 0.00 64.34 61.12 1jdy n VAL 164 Cb 0.47 -1.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.15 1jdy n VAL 164 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jdy s ASP 165 N -2.61 5.57 0.11 6.55 3.68 -1.26 -5.01 116.67 123.71 1jdy s ASP 165 Ca 0.67 0.02 0.25 0.00 2.13 0.00 0.00 52.55 55.62 1jdy s ASP 165 Cb -0.23 -1.97 0.43 0.00 -1.45 0.00 0.00 42.92 39.70 1jdy s ASP 165 CO 0.59 0.12 1.39 0.18 0.13 0.00 0.00 175.17 177.58 1jdy n LEU 166 N 3.89 0.67 0.14 -1.34 4.32 -1.26 -4.04 117.00 119.37 1jdy n LEU 166 Ca -0.16 0.25 0.12 0.00 -0.02 0.00 0.00 56.01 56.20 1jdy n LEU 166 Cb 0.52 -0.21 0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1jdy n LEU 166 CO 0.34 -0.05 0.47 1.23 -1.22 0.00 0.00 177.39 178.16 1jdy h GLY 167 N 4.57 0.00 -7.19 -0.72 0.00 -1.94 0.40 103.07 98.18 1jdy h GLY 167 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1jdy h GLY 167 CO 0.00 0.00 0.95 0.14 0.00 0.00 0.00 176.54 177.63 1jdy s VAL 168 N -3.24 3.93 0.77 4.60 1.01 -1.26 -4.82 120.40 121.39 1jdy s VAL 168 Ca 0.05 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 1jdy s VAL 168 Cb 0.09 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1jdy s VAL 168 CO 0.71 -1.59 0.89 0.18 0.00 0.00 0.00 175.10 175.29 1jdy n LEU 169 N 8.76 2.85 0.00 3.92 4.77 -1.26 -4.64 117.00 131.39 1jdy n LEU 169 Ca 0.04 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1jdy n LEU 169 Cb 0.49 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1jdy n LEU 169 CO 0.70 -2.32 0.00 0.61 -1.33 0.00 0.00 177.39 175.05 1jdy n GLY 170 N 1.09 -2.39 3.74 -0.72 0.00 -0.11 -4.87 105.19 101.92 1jdy n GLY 170 Ca 0.12 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1jdy n GLY 170 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jdy s LYS 171 N -0.97 4.30 -0.11 1.61 2.20 -1.26 -0.56 119.74 124.95 1jdy s LYS 171 Ca 0.00 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1jdy s LYS 171 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1jdy s LYS 171 CO 0.00 0.25 -0.20 -0.65 -0.36 0.00 0.00 175.35 174.39 1jdy s GLN 172 N 0.30 2.65 -0.04 4.03 -0.21 0.35 -4.99 119.66 121.76 1jdy s GLN 172 Ca 0.27 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 54.96 1jdy s GLN 172 Cb -0.16 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1jdy s GLN 172 CO 0.12 0.05 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.55 1jdy s GLN 173 N 0.67 2.46 0.05 2.91 -0.21 -1.26 -0.30 119.66 123.98 1jdy s GLN 173 Ca -0.12 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.55 1jdy s GLN 173 Cb -0.16 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 1jdy s GLN 173 CO 0.03 0.61 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.67 1jdy s PHE 174 N -0.77 0.72 -0.18 0.91 0.08 0.07 -4.94 117.98 113.87 1jdy s PHE 174 Ca 0.12 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 1jdy s PHE 174 Cb -0.11 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 1jdy s PHE 174 CO 0.01 -0.09 0.05 -0.51 -0.10 0.00 0.00 175.22 174.58 1jdy s ASP 175 N -1.83 5.47 -0.14 1.36 1.01 -1.26 0.07 116.67 121.34 1jdy s ASP 175 Ca -0.06 0.04 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 1jdy s ASP 175 Cb -0.07 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1jdy s ASP 175 CO -0.00 0.17 -0.01 -0.76 0.21 0.00 0.00 175.17 174.77 1jdy s LEU 176 N 0.41 3.45 -0.31 1.23 1.43 -1.26 0.24 118.68 123.87 1jdy s LEU 176 Ca 0.02 -0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 1jdy s LEU 176 Cb -0.13 -1.83 -0.12 0.00 0.03 0.00 0.00 46.19 44.14 1jdy s LEU 176 CO 0.01 0.23 1.24 -1.84 0.23 0.00 0.00 176.35 176.21 1jdy n GLU 177 N 3.16 0.00 0.00 1.70 0.28 -0.19 -1.28 120.64 124.31 1jdy n GLU 177 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1jdy n GLU 177 Cb 0.53 -0.94 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1jdy n GLU 177 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jdy n ASN 178 N 4.04 0.00 -4.63 -1.84 4.05 -1.26 -4.92 115.26 110.70 1jdy n ASN 178 Ca 0.30 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.90 1jdy n ASN 178 Cb -0.03 -0.91 -0.03 0.00 1.23 0.00 0.00 39.78 40.04 1jdy n ASN 178 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jdy s LYS 179 N 0.00 3.78 0.38 1.20 1.02 -0.40 -4.92 119.74 120.79 1jdy s LYS 179 Ca 0.00 1.86 0.14 0.00 0.02 0.00 0.00 55.97 57.99 1jdy s LYS 179 Cb 0.00 -4.09 0.98 0.00 -0.52 0.00 0.00 37.83 34.20 1jdy s LYS 179 CO 0.00 -1.33 1.82 0.35 -0.92 0.00 0.00 175.35 175.27 1jdy h PHE 180 N 11.18 0.72 -2.65 3.18 3.04 -1.91 -3.42 116.94 127.07 1jdy h PHE 180 Ca -0.37 0.02 -0.67 0.00 3.98 0.00 0.00 57.97 60.93 1jdy h PHE 180 Cb 1.18 -0.22 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 1jdy h PHE 180 CO 0.92 0.16 -0.48 0.15 -2.02 0.00 0.00 178.31 177.04 1jdy s LYS 181 N -5.56 3.43 0.65 1.11 3.01 -1.26 -5.11 119.74 116.01 1jdy s LYS 181 Ca -0.09 -0.14 -0.09 0.00 -1.01 0.00 0.00 55.97 54.65 1jdy s LYS 181 Cb 0.24 -3.18 0.01 0.00 -1.01 0.00 0.00 37.83 33.89 1jdy s LYS 181 CO 0.79 0.78 1.00 -1.25 0.51 0.00 0.00 175.35 177.18 1jdy s PRO 182 N -1.03 2.85 -0.18 -1.68 0.04 -1.26 -4.80 135.00 128.94 1jdy s PRO 182 Ca 0.15 0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 1jdy s PRO 182 Cb -0.12 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1jdy s PRO 182 CO 0.04 -0.89 0.47 0.12 0.04 0.00 0.00 177.00 176.78 1jdy s PHE 183 N -3.18 3.40 -0.21 0.56 5.36 0.11 -4.87 117.98 119.15 1jdy s PHE 183 Ca 0.56 0.75 -0.08 0.00 -0.96 0.00 0.00 56.93 57.21 1jdy s PHE 183 Cb -0.11 -2.60 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 1jdy s PHE 183 CO 0.48 -0.01 0.07 0.99 -1.46 0.00 0.00 175.22 175.29 1jdy s THR 184 N 1.31 4.66 -0.20 0.12 2.01 -0.85 -0.75 115.64 121.94 1jdy s THR 184 Ca 0.23 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 1jdy s THR 184 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1jdy s THR 184 CO 0.09 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 1jdy s VAL 185 N 0.87 3.20 -0.29 3.82 1.01 0.60 -1.40 120.40 128.20 1jdy s VAL 185 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1jdy s VAL 185 Cb -0.14 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1jdy s VAL 185 CO 0.03 0.46 -0.02 -0.70 0.00 0.00 0.00 175.10 174.87 1jdy s GLU 186 N 1.18 2.48 -0.33 2.72 2.12 0.04 -0.50 118.70 126.42 1jdy s GLU 186 Ca 0.02 -1.23 -0.23 0.00 0.36 0.00 0.00 54.97 53.89 1jdy s GLU 186 Cb -0.14 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1jdy s GLU 186 CO -0.02 -0.58 0.78 0.42 -0.54 0.00 0.00 175.26 175.31 1jdy s ILE 187 N 1.25 4.77 0.08 -3.70 -1.09 0.27 -1.85 121.20 120.94 1jdy s ILE 187 Ca -0.05 1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.39 1jdy s ILE 187 Cb -0.19 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1jdy s ILE 187 CO -0.02 -0.33 0.24 -0.69 -1.23 0.00 0.00 174.94 172.91 1jdy s VAL 188 N 3.01 5.35 0.69 2.92 1.01 -0.92 -0.94 120.40 131.52 1jdy s VAL 188 Ca 0.31 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 1jdy s VAL 188 Cb -0.14 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1jdy s VAL 188 CO 0.15 0.10 1.17 -0.62 0.00 0.00 0.00 175.10 175.90 1jdy s ASP 189 N -2.57 4.61 0.16 3.32 2.15 -1.26 -0.77 116.67 122.32 1jdy s ASP 189 Ca 0.36 2.23 0.03 0.00 0.43 0.00 0.00 52.55 55.60 1jdy s ASP 189 Cb -0.13 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1jdy s ASP 189 CO 0.28 -1.97 1.36 0.28 -0.17 0.00 0.00 175.17 174.95 1jdy h SER 190 N -0.06 0.22 0.45 -0.34 0.02 -1.86 -3.39 113.55 108.59 1jdy h SER 190 Ca -0.48 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.21 1jdy h SER 190 Cb 1.28 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1jdy h SER 190 CO 0.52 1.00 -1.62 0.52 -1.14 0.00 0.00 176.83 176.11 1jdy n VAL 191 N -3.62 0.61 0.06 2.27 0.31 -1.26 -4.68 118.33 112.02 1jdy n VAL 191 Ca -0.03 -0.60 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 1jdy n VAL 191 Cb 0.82 -0.32 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 1jdy n VAL 191 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1jdy h GLU 192 N 0.00 -0.48 -0.94 5.55 4.22 -1.98 0.15 114.58 121.10 1jdy h GLU 192 Ca -0.10 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1jdy h GLU 192 Cb 1.28 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1jdy h GLU 192 CO 0.01 -0.32 0.55 0.00 -2.18 0.00 0.00 179.01 177.08 1jdy h ALA 193 N -0.83 1.21 0.12 2.92 0.00 -1.86 0.12 119.26 120.94 1jdy h ALA 193 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jdy h ALA 193 Cb 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jdy h ALA 193 CO -0.22 0.67 -0.06 -0.92 0.00 0.00 0.00 179.25 178.73 1jdy h TYR 194 N 1.30 -0.15 -0.16 0.00 5.03 -1.78 -0.27 116.97 120.95 1jdy h TYR 194 Ca 0.33 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.59 1jdy h TYR 194 Cb -0.03 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1jdy h TYR 194 CO 0.01 -0.03 -0.15 0.00 -1.32 0.00 0.00 178.16 176.67 1jdy h ALA 195 N 0.65 1.46 -0.17 1.82 0.00 -0.43 -0.99 119.26 121.59 1jdy h ALA 195 Ca -0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1jdy h ALA 195 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jdy h ALA 195 CO 0.03 0.38 -0.20 1.15 0.00 0.00 0.00 179.25 180.60 1jdy h THR 196 N 0.24 1.22 -0.08 0.00 2.02 -0.14 -0.32 112.91 115.85 1jdy h THR 196 Ca 0.05 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1jdy h THR 196 Cb 0.41 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1jdy h THR 196 CO 0.03 0.32 -0.06 -0.03 0.37 0.00 0.00 175.52 176.15 1jdy h MET 197 N 0.27 0.19 0.00 6.66 -1.53 0.00 -2.93 114.93 117.58 1jdy h MET 197 Ca 0.05 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 1jdy h MET 197 Cb 0.52 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 1jdy h MET 197 CO 0.03 0.58 -0.09 -0.07 0.14 0.00 0.00 176.91 177.50 1jdy h LEU 198 N -0.20 0.00 -1.28 3.39 3.38 -0.93 -2.91 115.31 116.75 1jdy h LEU 198 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1jdy h LEU 198 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1jdy h LEU 198 CO 0.02 0.09 0.18 -0.09 0.09 0.00 0.00 178.44 178.72 1jdy h ARG 199 N 0.00 0.67 -0.00 1.13 9.65 -0.87 -1.05 114.38 123.91 1jdy h ARG 199 Ca -0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1jdy h ARG 199 Cb 0.17 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1jdy h ARG 199 CO 0.01 0.56 -0.43 0.09 2.80 0.00 0.00 179.97 183.00 1jdy n ASN 200 N -4.35 0.61 -0.11 -3.80 4.13 -1.11 -4.28 115.26 106.35 1jdy n ASN 200 Ca 0.03 -0.39 -0.22 0.00 1.68 0.00 0.00 54.58 55.68 1jdy n ASN 200 Cb 0.16 0.21 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1jdy n ASN 200 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1jdy n ILE 201 N -1.30 1.53 -4.02 2.41 5.41 -0.94 -4.57 119.36 117.87 1jdy n ILE 201 Ca 0.07 -0.07 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 1jdy n ILE 201 Cb 0.34 -2.04 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 1jdy n ILE 201 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jdy s PHE 202 N -2.39 3.33 -1.11 1.39 0.08 -0.44 -1.72 117.98 117.11 1jdy s PHE 202 Ca -0.30 -0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.55 1jdy s PHE 202 Cb 0.07 -1.52 0.14 0.00 -0.57 0.00 0.00 43.02 41.14 1jdy s PHE 202 CO 0.55 0.48 1.36 0.34 -0.10 0.00 0.00 175.22 177.84 1jdy s ASP 203 N -3.85 6.86 0.60 1.36 3.68 -1.26 -4.76 116.67 119.30 1jdy s ASP 203 Ca 0.34 -2.53 0.29 0.00 2.13 0.00 0.00 52.55 52.78 1jdy s ASP 203 Cb -0.09 -2.43 1.55 0.00 -1.45 0.00 0.00 42.92 40.51 1jdy s ASP 203 CO 0.27 -0.94 1.96 -0.26 0.13 0.00 0.00 175.17 176.34 1jdy h PHE 204 N 7.92 0.00 0.32 -5.34 -1.00 -1.91 -2.05 116.94 114.88 1jdy h PHE 204 Ca 0.27 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 1jdy h PHE 204 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1jdy h PHE 204 CO 1.17 0.00 -0.15 -0.91 -1.61 0.00 0.00 178.31 176.80 1jdy h ASN 205 N 0.00 -0.36 -0.80 2.17 -0.26 -1.97 0.11 115.58 114.46 1jdy h ASN 205 Ca 0.15 -0.15 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1jdy h ASN 205 Cb 0.90 0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 38.20 1jdy h ASN 205 CO -0.00 -0.03 0.49 0.00 -1.06 0.00 0.00 177.43 176.83 1jdy h ALA 206 N -0.16 1.09 -0.21 -0.83 0.00 -1.81 -0.98 119.26 116.35 1jdy h ALA 206 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1jdy h ALA 206 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jdy h ALA 206 CO 0.07 0.24 -0.16 -0.07 0.00 0.00 0.00 179.25 179.33 1jdy h LEU 207 N 0.92 0.35 -0.51 0.00 3.38 -1.26 -0.73 115.31 117.45 1jdy h LEU 207 Ca 0.35 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1jdy h LEU 207 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jdy h LEU 207 CO -0.16 0.53 -0.46 0.50 0.09 0.00 0.00 178.44 178.95 1jdy h LYS 208 N 0.33 0.71 -0.59 1.13 3.11 0.23 -1.53 116.57 119.95 1jdy h LYS 208 Ca 0.06 -0.40 -0.10 0.00 -2.81 0.00 0.00 60.65 57.41 1jdy h LYS 208 Cb 0.48 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 1jdy h LYS 208 CO 0.03 1.01 -0.01 0.93 -2.81 0.00 0.00 179.45 178.60 1jdy h GLU 209 N 0.57 1.05 0.37 1.90 5.08 -0.43 -1.84 114.58 121.26 1jdy h GLU 209 Ca 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1jdy h GLU 209 Cb 1.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1jdy h GLU 209 CO 0.10 1.04 -0.22 1.25 -1.00 0.00 0.00 179.01 180.17 1jdy h LEU 210 N 0.94 -0.54 -0.40 1.33 6.46 -0.95 -0.16 115.31 121.99 1jdy h LEU 210 Ca 0.16 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1jdy h LEU 210 Cb 0.57 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1jdy h LEU 210 CO 0.03 -0.35 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.21 1jdy h LEU 211 N -0.55 0.00 0.00 2.25 3.38 -1.31 -1.27 115.31 117.81 1jdy h LEU 211 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1jdy h LEU 211 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jdy h LEU 211 CO 0.05 0.22 -1.45 -1.20 0.09 0.00 0.00 178.44 176.14 1jdy n SER 212 N -3.21 2.51 -4.36 -0.43 7.64 -0.70 -4.46 113.62 110.62 1jdy n SER 212 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 1jdy n SER 212 Cb 0.55 -0.16 0.13 0.00 -1.01 0.00 0.00 64.21 63.72 1jdy n SER 212 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdy n GLY 213 N 2.92 -2.23 0.54 0.23 0.00 -0.07 -4.72 105.19 101.85 1jdy n GLY 213 Ca -0.15 -0.76 0.43 0.00 0.00 0.00 0.00 46.02 45.55 1jdy n GLY 213 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jdy h PRO 214 N -1.67 0.02 0.00 1.61 0.11 -1.94 0.60 132.00 130.73 1jdy h PRO 214 Ca -0.46 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1jdy h PRO 214 Cb 1.30 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1jdy h PRO 214 CO 0.35 0.01 -0.42 -2.95 -0.21 0.00 0.00 178.00 174.78 1jdy h ASN 215 N 0.02 0.00 0.00 -2.05 7.08 -1.88 -3.49 115.58 115.26 1jdy h ASN 215 Ca 0.88 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 54.10 1jdy h ASN 215 Cb 3.03 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 39.27 1jdy h ASN 215 CO -0.34 0.42 0.00 -1.14 -2.08 0.00 0.00 177.43 174.29 1jdy n ARG 216 N -3.81 0.00 -2.01 4.14 0.63 0.20 -4.86 116.66 110.95 1jdy n ARG 216 Ca -0.01 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.49 1jdy n ARG 216 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 1jdy n ARG 216 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1jdy s LEU 217 N 0.00 3.62 -0.73 6.15 2.96 -0.48 -4.90 118.68 125.30 1jdy s LEU 217 Ca 0.00 1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 55.11 1jdy s LEU 217 Cb 0.00 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.23 1jdy s LEU 217 CO 0.00 -1.58 1.10 -0.54 -1.32 0.00 0.00 176.35 174.01 1jdy s LYS 218 N 5.39 3.21 0.46 1.98 1.02 -1.26 -4.73 119.74 125.81 1jdy s LYS 218 Ca 0.78 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 56.01 1jdy s LYS 218 Cb -0.24 -4.36 0.01 0.00 -0.52 0.00 0.00 37.83 32.72 1jdy s LYS 218 CO 0.33 -1.93 0.66 0.96 -0.92 0.00 0.00 175.35 174.45 1jdy s ILE 219 N 4.43 3.41 -0.19 2.17 -4.36 -1.26 -0.20 121.20 125.20 1jdy s ILE 219 Ca 0.28 -0.70 -0.04 0.00 -0.26 0.00 0.00 60.65 59.93 1jdy s ILE 219 Cb -0.12 -3.24 0.09 0.00 1.25 0.00 0.00 42.46 40.44 1jdy s ILE 219 CO 0.08 -0.14 0.23 -0.60 0.24 0.00 0.00 174.94 174.75 1jdy s ARG 220 N -4.54 0.19 -0.23 0.37 6.06 0.14 -4.71 118.95 116.23 1jdy s ARG 220 Ca 0.52 0.30 -0.01 0.00 -2.50 0.00 0.00 55.73 54.04 1jdy s ARG 220 Cb -0.10 -1.00 0.02 0.00 0.06 0.00 0.00 34.95 33.94 1jdy s ARG 220 CO 0.36 -0.60 -0.09 0.42 -2.50 0.00 0.00 175.30 172.89 1jdy s ILE 221 N 2.35 2.70 -0.30 4.11 -1.09 -0.06 -0.83 121.20 128.08 1jdy s ILE 221 Ca 0.06 -0.98 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 1jdy s ILE 221 Cb -0.15 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 1jdy s ILE 221 CO -0.12 0.29 0.15 -0.62 -1.23 0.00 0.00 174.94 173.42 1jdy s ASP 222 N 1.32 5.60 -0.12 3.58 3.68 0.18 -0.33 116.67 130.58 1jdy s ASP 222 Ca 0.01 -0.38 0.15 0.00 2.13 0.00 0.00 52.55 54.46 1jdy s ASP 222 Cb -0.16 -2.02 0.65 0.00 -1.45 0.00 0.00 42.92 39.94 1jdy s ASP 222 CO -0.06 -0.15 1.53 0.00 0.13 0.00 0.00 175.17 176.62 1jdy n ALA 223 N 5.00 3.17 -2.16 3.66 0.00 -0.65 -1.99 120.51 127.54 1jdy n ALA 223 Ca -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 53.44 51.84 1jdy n ALA 223 Cb 0.50 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 1jdy n ALA 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jdy n MET 224 N 0.87 -2.30 -1.85 0.00 0.00 -1.24 -1.03 117.12 111.58 1jdy n MET 224 Ca 0.23 0.01 -0.12 0.00 0.00 0.00 0.00 57.70 57.82 1jdy n MET 224 Cb 0.85 -3.33 -0.02 0.00 0.00 0.00 0.00 33.22 30.72 1jdy n MET 224 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1jdy n HIS 225 N -1.97 -0.32 -2.95 2.03 8.25 -0.66 -4.72 115.22 114.87 1jdy n HIS 225 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1jdy n HIS 225 Cb 0.36 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.02 1jdy n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdy n GLY 226 N -1.24 3.22 0.37 -1.41 0.00 -0.20 -1.71 105.19 104.23 1jdy n GLY 226 Ca -0.13 -2.11 0.15 0.00 0.00 0.00 0.00 46.02 43.93 1jdy n GLY 226 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1jdy h VAL 227 N 0.21 0.82 0.00 1.61 3.04 -1.20 -2.72 116.25 118.01 1jdy h VAL 227 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1jdy h VAL 227 Cb 0.00 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1jdy h VAL 227 CO 0.00 0.05 0.00 0.55 -1.01 0.00 0.00 177.57 177.16 1jdy n VAL 228 N -4.45 0.65 -0.17 1.51 3.14 -1.26 -4.07 118.33 113.68 1jdy n VAL 228 Ca 0.11 0.07 -0.02 0.00 -2.96 0.00 0.00 64.34 61.54 1jdy n VAL 228 Cb 0.49 -0.85 0.05 0.00 -1.06 0.00 0.00 33.84 32.48 1jdy n VAL 228 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1jdy h GLY 229 N 3.42 0.44 0.28 7.55 0.00 -1.72 -1.52 103.07 111.52 1jdy h GLY 229 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.60 1jdy h GLY 229 CO 0.00 -0.19 0.45 -2.55 0.00 0.00 0.00 176.54 174.25 1jdy h PRO 230 N 0.04 0.64 -0.18 4.80 0.11 -1.71 -2.28 132.00 133.42 1jdy h PRO 230 Ca 0.26 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.20 1jdy h PRO 230 Cb 0.40 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1jdy h PRO 230 CO -0.51 0.42 -0.46 1.88 -0.21 0.00 0.00 178.00 179.12 1jdy h TYR 231 N 0.66 0.56 -0.03 0.65 -1.99 -1.54 -1.10 116.97 114.18 1jdy h TYR 231 Ca 0.45 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 61.00 1jdy h TYR 231 Cb 0.60 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 1jdy h TYR 231 CO -0.08 0.84 -0.01 0.28 -0.00 0.00 0.00 178.16 179.18 1jdy h VAL 232 N 0.37 1.33 0.52 -2.88 2.07 -0.85 -1.62 116.25 115.19 1jdy h VAL 232 Ca 0.02 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1jdy h VAL 232 Cb 0.95 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1jdy h VAL 232 CO 0.08 0.27 -0.40 0.11 0.02 0.00 0.00 177.57 177.65 1jdy h LYS 233 N -0.34 -0.87 0.46 1.57 1.57 -1.42 0.26 116.57 117.80 1jdy h LYS 233 Ca 0.01 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1jdy h LYS 233 Cb 0.44 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1jdy h LYS 233 CO 0.00 -0.58 -0.22 0.87 -0.57 0.00 0.00 179.45 178.95 1jdy h LYS 234 N -0.90 -0.59 0.05 3.15 6.56 -1.28 0.33 116.57 123.88 1jdy h LYS 234 Ca -0.06 0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1jdy h LYS 234 Cb 0.76 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 1jdy h LYS 234 CO 0.00 -0.37 -0.02 0.82 -2.06 0.00 0.00 179.45 177.82 1jdy h ILE 235 N -0.66 0.69 -0.05 1.86 2.04 -1.30 -2.02 117.51 118.07 1jdy h ILE 235 Ca -0.06 -1.42 -0.25 0.00 1.00 0.00 0.00 64.86 64.13 1jdy h ILE 235 Cb 0.49 1.27 0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1jdy h ILE 235 CO 0.10 0.22 -0.94 -0.07 0.00 0.00 0.00 178.15 177.46 1jdy h LEU 236 N -0.99 0.88 0.00 1.44 3.38 -0.65 -0.19 115.31 119.18 1jdy h LEU 236 Ca -0.01 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1jdy h LEU 236 Cb 0.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jdy h LEU 236 CO 0.01 1.46 -0.07 0.00 0.09 0.00 0.00 178.44 179.93 1jdy h GLU 238 N -0.32 -0.10 0.00 0.00 5.08 -0.91 0.67 114.58 119.01 1jdy h GLU 238 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jdy h GLU 238 Cb 0.07 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jdy h GLU 238 CO 0.00 -0.07 -0.14 1.49 -1.00 0.00 0.00 179.01 179.29 1jdy h GLU 239 N -0.10 0.00 0.00 2.33 4.81 -1.37 -3.35 114.58 116.89 1jdy h GLU 239 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1jdy h GLU 239 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1jdy h GLU 239 CO -0.04 0.53 0.00 1.28 -0.73 0.00 0.00 179.01 180.06 1jdy n LEU 240 N -4.66 0.74 0.00 1.64 4.77 -0.09 -4.93 117.00 114.47 1jdy n LEU 240 Ca -0.08 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1jdy n LEU 240 Cb 0.29 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1jdy n LEU 240 CO 0.18 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 1jdy n GLY 241 N 0.68 0.75 3.77 -0.72 0.00 0.23 -4.50 105.19 105.39 1jdy n GLY 241 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1jdy n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdy s ALA 242 N -2.19 3.35 0.49 4.61 0.00 -0.59 -4.61 121.76 122.82 1jdy s ALA 242 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 1jdy s ALA 242 Cb 0.00 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1jdy s ALA 242 CO 0.00 -0.74 0.63 -2.30 0.00 0.00 0.00 175.76 173.35 1jdy n PRO 243 N 0.38 0.68 -0.05 0.00 -0.02 -1.26 -4.46 135.00 130.27 1jdy n PRO 243 Ca 0.02 0.26 0.23 0.00 -2.02 0.00 0.00 63.50 61.99 1jdy n PRO 243 Cb 0.43 -1.70 0.71 0.00 -0.02 0.00 0.00 33.50 32.92 1jdy n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jdy h ALA 244 N 0.68 2.59 0.00 3.55 0.00 -1.95 -1.38 119.26 122.75 1jdy h ALA 244 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jdy h ALA 244 Cb 1.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jdy h ALA 244 CO 0.50 -0.80 0.00 0.09 0.00 0.00 0.00 179.25 179.04 1jdy n ASN 245 N -4.29 0.00 0.11 0.00 4.13 -1.26 -3.22 115.26 110.73 1jdy n ASN 245 Ca 0.12 -0.44 -0.00 0.00 1.68 0.00 0.00 54.58 55.95 1jdy n ASN 245 Cb 0.72 -0.15 -0.02 0.00 -1.54 0.00 0.00 39.78 38.79 1jdy n ASN 245 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1jdy h SER 246 N 0.00 0.00 -3.29 6.41 0.02 -1.53 -3.43 113.55 111.74 1jdy h SER 246 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 1jdy h SER 246 Cb 0.12 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.43 1jdy h SER 246 CO 0.00 0.65 0.19 0.00 -1.14 0.00 0.00 176.83 176.53 1jdy s ALA 247 N -2.88 3.77 0.24 3.77 0.00 -1.20 -0.88 121.76 124.58 1jdy s ALA 247 Ca 0.03 -2.91 -0.17 0.00 0.00 0.00 0.00 51.96 48.91 1jdy s ALA 247 Cb 0.08 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1jdy s ALA 247 CO 0.77 -2.38 0.70 0.08 0.00 0.00 0.00 175.76 174.93 1jdy s VAL 248 N 1.29 4.65 -1.54 0.00 1.01 0.55 -4.28 120.40 122.08 1jdy s VAL 248 Ca 0.17 1.09 -0.10 0.00 0.00 0.00 0.00 61.98 63.15 1jdy s VAL 248 Cb -0.15 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.55 1jdy s VAL 248 CO -0.05 0.08 0.67 0.59 0.00 0.00 0.00 175.10 176.40 1jdy n ASN 249 N 0.36 -2.30 -2.19 3.32 3.02 -1.26 -1.64 115.26 114.57 1jdy n ASN 249 Ca -0.01 -0.96 -0.21 0.00 -0.03 0.00 0.00 54.58 53.37 1jdy n ASN 249 Cb 0.52 -3.14 0.20 0.00 -0.61 0.00 0.00 39.78 36.75 1jdy n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdy s VAL 251 N -3.22 1.92 -0.37 0.00 1.01 -1.26 -3.82 120.40 114.65 1jdy s VAL 251 Ca 0.56 -1.70 -0.37 0.00 0.00 0.00 0.00 61.98 60.48 1jdy s VAL 251 Cb 0.47 -2.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.51 1jdy s VAL 251 CO 0.11 -0.26 2.16 -2.65 0.00 0.00 0.00 175.10 174.47 1jdy n PRO 252 N 4.48 0.88 -4.45 2.72 -0.02 -1.26 -4.71 135.00 132.64 1jdy n PRO 252 Ca -0.08 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1jdy n PRO 252 Cb 0.43 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1jdy n PRO 252 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jdy s LEU 253 N 6.88 3.28 0.58 2.45 1.43 -0.69 -5.00 118.68 127.60 1jdy s LEU 253 Ca 1.11 -0.06 0.29 0.00 -1.03 0.00 0.00 54.13 54.44 1jdy s LEU 253 Cb -0.99 -1.76 1.46 0.00 0.03 0.00 0.00 46.19 44.93 1jdy s LEU 253 CO 0.53 0.25 1.88 -0.33 0.23 0.00 0.00 176.35 178.91 1jdy h GLU 254 N 6.12 0.00 -0.40 1.70 5.08 -1.87 -0.75 114.58 124.46 1jdy h GLU 254 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jdy h GLU 254 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1jdy h GLU 254 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 1jdy n ASP 255 N -3.84 3.06 -2.42 1.42 5.75 -1.26 -0.11 116.55 119.16 1jdy n ASP 255 Ca 0.11 -2.00 -0.16 0.00 -0.01 0.00 0.00 54.79 52.74 1jdy n ASP 255 Cb 0.75 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.57 1jdy n ASP 255 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jdy n PHE 256 N 0.67 -1.25 -3.22 2.11 3.01 -0.29 -0.09 117.46 118.40 1jdy n PHE 256 Ca 0.13 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.43 1jdy n PHE 256 Cb 0.45 -3.23 0.06 0.00 -0.01 0.00 0.00 39.48 36.75 1jdy n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jdy n GLY 257 N -0.88 -0.08 2.56 1.37 0.00 -1.26 -3.13 105.19 103.76 1jdy n GLY 257 Ca -0.19 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1jdy n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdy n GLY 258 N -1.49 -0.51 3.08 -0.02 0.00 0.87 -4.99 105.19 102.14 1jdy n GLY 258 Ca -0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1jdy n GLY 258 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jdy s HIS 259 N -3.08 0.31 -0.03 1.61 5.65 -1.18 -5.12 115.29 113.45 1jdy s HIS 259 Ca 0.08 -0.69 -0.30 0.00 0.25 0.00 0.00 55.06 54.40 1jdy s HIS 259 Cb -0.03 -0.23 -0.05 0.00 -1.18 0.00 0.00 32.58 31.08 1jdy s HIS 259 CO 0.10 -0.34 1.52 -1.01 -0.65 0.00 0.00 174.74 174.36 1jdy s HIS 260 N -2.80 2.45 -1.54 3.88 0.09 -1.26 -4.69 115.29 111.42 1jdy s HIS 260 Ca -0.03 0.52 -0.11 0.00 -0.00 0.00 0.00 55.06 55.44 1jdy s HIS 260 Cb -0.00 -3.79 -0.02 0.00 -0.00 0.00 0.00 32.58 28.77 1jdy s HIS 260 CO -0.06 -3.13 2.63 -0.35 -0.00 0.00 0.00 174.74 173.84 1jdy n PRO 261 N 6.21 3.48 -3.98 8.40 -0.04 -1.25 -4.90 135.00 142.92 1jdy n PRO 261 Ca 0.15 -2.48 -0.34 0.00 -0.04 0.00 0.00 63.50 60.80 1jdy n PRO 261 Cb 0.43 -2.96 -0.14 0.00 -0.04 0.00 0.00 33.50 30.79 1jdy n PRO 261 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jdy s ASP 262 N 2.34 4.66 -0.72 3.54 3.68 -1.26 -3.10 116.67 125.81 1jdy s ASP 262 Ca 0.60 -1.31 -0.26 0.00 2.13 0.00 0.00 52.55 53.71 1jdy s ASP 262 Cb 0.16 -1.64 -0.23 0.00 -1.45 0.00 0.00 42.92 39.76 1jdy s ASP 262 CO -0.07 -0.22 1.88 -0.81 0.13 0.00 0.00 175.17 176.08 1jdy n PRO 263 N 4.54 0.67 -3.93 4.34 -0.04 -1.26 -4.13 135.00 135.19 1jdy n PRO 263 Ca -0.14 -1.69 -0.09 0.00 -0.04 0.00 0.00 63.50 61.55 1jdy n PRO 263 Cb 0.43 -3.27 -0.09 0.00 -0.04 0.00 0.00 33.50 30.54 1jdy n PRO 263 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jdy s ASN 264 N 6.94 0.20 0.54 3.54 2.20 -1.26 -4.55 114.94 122.55 1jdy s ASN 264 Ca 0.70 -0.63 0.40 0.00 -0.94 0.00 0.00 52.86 52.39 1jdy s ASN 264 Cb 0.06 0.26 1.59 0.00 -2.00 0.00 0.00 41.25 41.16 1jdy s ASN 264 CO 0.21 -0.59 1.74 -0.07 -2.94 0.00 0.00 177.10 175.45 1jdy h LEU 265 N 3.31 0.02 0.01 3.54 3.38 -1.89 -0.17 115.31 123.51 1jdy h LEU 265 Ca -0.33 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jdy h LEU 265 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jdy h LEU 265 CO 0.54 -0.00 -0.01 0.74 0.09 0.00 0.00 178.44 179.80 1jdy h THR 266 N 0.01 1.47 0.00 0.22 2.02 -1.93 -3.33 112.91 111.36 1jdy h THR 266 Ca 0.67 -1.96 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 1jdy h THR 266 Cb 2.66 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 71.75 1jdy h THR 266 CO -0.03 0.47 -0.71 1.88 0.37 0.00 0.00 175.52 177.51 1jdy h TYR 267 N -0.93 0.00 -1.01 3.16 0.05 -1.64 -3.27 116.97 113.33 1jdy h TYR 267 Ca -0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 1jdy h TYR 267 Cb 0.79 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.23 1jdy h TYR 267 CO 0.21 0.65 0.75 0.00 -1.05 0.00 0.00 178.16 178.72 1jdy n ALA 268 N -2.27 6.25 -0.16 3.88 0.00 -0.12 -4.68 120.51 123.40 1jdy n ALA 268 Ca 0.01 -3.52 -0.07 0.00 0.00 0.00 0.00 53.44 49.85 1jdy n ALA 268 Cb 0.80 -1.67 0.02 0.00 0.00 0.00 0.00 19.45 18.60 1jdy n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdy h ALA 269 N 2.04 0.62 -0.82 0.00 0.00 -1.67 -1.70 119.26 117.73 1jdy h ALA 269 Ca 0.59 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.59 1jdy h ALA 269 Cb 0.85 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1jdy h ALA 269 CO 1.53 0.08 0.40 -0.44 0.00 0.00 0.00 179.25 180.82 1jdy h ASP 270 N 0.65 0.48 -0.39 0.00 5.19 -1.91 0.13 116.42 120.57 1jdy h ASP 270 Ca 0.18 0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.57 1jdy h ASP 270 Cb -0.05 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1jdy h ASP 270 CO -0.04 0.21 -0.17 0.25 -3.12 0.00 0.00 179.24 176.37 1jdy h LEU 271 N 0.59 0.82 -0.57 1.55 5.85 -1.87 -2.05 115.31 119.64 1jdy h LEU 271 Ca 0.44 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jdy h LEU 271 Cb 0.62 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1jdy h LEU 271 CO -0.36 1.04 0.31 0.58 -0.34 0.00 0.00 178.44 179.67 1jdy h VAL 272 N 0.60 1.19 -0.51 1.05 2.07 0.01 -0.06 116.25 120.60 1jdy h VAL 272 Ca 0.09 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1jdy h VAL 272 Cb 0.72 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1jdy h VAL 272 CO 0.05 0.20 -0.17 -0.33 0.02 0.00 0.00 177.57 177.35 1jdy h GLU 273 N 0.76 1.02 -0.58 1.57 4.39 -0.86 -2.75 114.58 118.13 1jdy h GLU 273 Ca 0.20 -0.41 0.03 0.00 0.34 0.00 0.00 59.36 59.52 1jdy h GLU 273 Cb 0.05 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1jdy h GLU 273 CO -0.03 1.10 0.38 1.15 -1.16 0.00 0.00 179.01 180.45 1jdy h THR 274 N 0.89 1.07 0.00 1.13 2.02 -0.79 -1.68 112.91 115.55 1jdy h THR 274 Ca 0.12 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 1jdy h THR 274 Cb 0.74 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1jdy h THR 274 CO 0.06 0.12 -0.58 0.24 0.37 0.00 0.00 175.52 175.73 1jdy h MET 275 N 0.68 0.00 -0.87 6.66 2.86 -0.78 -3.35 114.93 120.13 1jdy h MET 275 Ca 0.23 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 1jdy h MET 275 Cb 0.09 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 1jdy h MET 275 CO -0.06 0.58 0.57 0.87 1.06 0.00 0.00 176.91 179.93 1jdy h LYS 276 N 0.00 1.03 -0.79 1.72 1.57 -1.02 -2.33 116.57 116.74 1jdy h LYS 276 Ca -0.01 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1jdy h LYS 276 Cb 1.15 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1jdy h LYS 276 CO 0.08 0.68 0.53 0.66 -0.57 0.00 0.00 179.45 180.83 1jdy h SER 277 N 1.06 0.36 0.00 0.86 4.64 -1.70 -3.40 113.55 115.37 1jdy h SER 277 Ca 0.35 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1jdy h SER 277 Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jdy h SER 277 CO -0.11 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1jdy n GLY 278 N -1.53 2.39 0.23 -0.77 0.00 -1.17 -4.97 105.19 99.36 1jdy n GLY 278 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1jdy n GLY 278 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1jdy h GLU 279 N 0.88 0.04 -6.56 1.61 4.11 -1.88 -3.44 114.58 109.33 1jdy h GLU 279 Ca 0.00 -0.01 -0.50 0.00 0.07 0.00 0.00 59.36 58.92 1jdy h GLU 279 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1jdy h GLU 279 CO 0.00 0.21 -0.11 -1.01 0.07 0.00 0.00 179.01 178.17 1jdy s HIS 280 N -4.66 3.49 -0.23 2.06 3.76 -1.26 -4.85 115.29 113.60 1jdy s HIS 280 Ca -0.04 0.61 0.10 0.00 -0.15 0.00 0.00 55.06 55.58 1jdy s HIS 280 Cb 0.16 -2.09 -0.14 0.00 1.11 0.00 0.00 32.58 31.61 1jdy s HIS 280 CO 0.70 0.10 0.32 -0.25 -0.85 0.00 0.00 174.74 174.76 1jdy n ASP 281 N -1.30 1.64 -3.75 1.40 8.00 0.72 -4.56 116.55 118.71 1jdy n ASP 281 Ca -0.02 -0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1jdy n ASP 281 Cb 0.55 1.26 -0.11 0.00 -0.02 0.00 0.00 41.12 42.80 1jdy n ASP 281 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jdy s PHE 282 N -2.37 -0.39 0.02 1.24 5.36 -1.19 -3.44 117.98 117.20 1jdy s PHE 282 Ca -0.00 0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 56.87 1jdy s PHE 282 Cb 0.07 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 1jdy s PHE 282 CO 0.43 -0.19 0.06 0.20 -1.46 0.00 0.00 175.22 174.26 1jdy s GLY 283 N 0.21 0.16 -0.18 13.12 0.00 0.36 0.25 107.32 121.23 1jdy s GLY 283 Ca -0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 1jdy s GLY 283 CO 0.00 -0.54 0.66 0.00 0.00 0.00 0.00 173.10 173.22 1jdy s ALA 284 N -1.78 -1.65 0.23 3.20 0.00 -0.01 -0.53 121.76 121.22 1jdy s ALA 284 Ca -0.12 1.64 0.11 0.00 0.00 0.00 0.00 51.96 53.59 1jdy s ALA 284 Cb -0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1jdy s ALA 284 CO -0.01 -0.33 -0.20 0.00 0.00 0.00 0.00 175.76 175.22 1jdy s ALA 285 N -0.19 2.48 0.13 0.00 0.00 -1.07 -0.65 121.76 122.47 1jdy s ALA 285 Ca -0.04 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.22 1jdy s ALA 285 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1jdy s ALA 285 CO 0.04 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 175.97 1jdy s PHE 286 N -2.27 1.09 0.56 0.00 0.40 -0.84 -2.37 117.98 114.55 1jdy s PHE 286 Ca 0.24 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1jdy s PHE 286 Cb -0.05 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.89 1jdy s PHE 286 CO 0.11 -0.11 0.83 0.16 0.70 0.00 0.00 175.22 176.91 1jdy s ASP 287 N -3.12 5.49 0.27 1.36 3.84 -1.18 -4.48 116.67 118.85 1jdy s ASP 287 Ca 0.17 0.43 0.09 0.00 -0.00 0.00 0.00 52.55 53.23 1jdy s ASP 287 Cb 0.05 -1.42 0.83 0.00 -1.38 0.00 0.00 42.92 40.99 1jdy s ASP 287 CO -0.01 -1.06 1.26 0.61 -0.00 0.00 0.00 175.17 175.98 1jdy n GLY 288 N -2.45 -0.87 1.18 2.12 0.00 -1.18 -0.81 105.19 103.18 1jdy n GLY 288 Ca 0.05 0.73 0.09 0.00 0.00 0.00 0.00 46.02 46.88 1jdy n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jdy n ASP 289 N -4.99 3.92 -1.20 1.61 3.85 -1.26 -2.08 116.55 116.39 1jdy n ASP 289 Ca 0.24 -2.24 -0.15 0.00 -0.71 0.00 0.00 54.79 51.93 1jdy n ASP 289 Cb 0.81 -0.45 -0.05 0.00 -1.35 0.00 0.00 41.12 40.08 1jdy n ASP 289 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jdy n GLY 290 N 0.95 1.21 0.65 6.12 0.00 0.01 -1.56 105.19 112.58 1jdy n GLY 290 Ca 0.21 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1jdy n GLY 290 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jdy n ASP 291 N -0.42 2.51 -4.22 1.61 5.75 -1.26 -0.93 116.55 119.59 1jdy n ASP 291 Ca -0.15 -1.72 -0.22 0.00 -0.01 0.00 0.00 54.79 52.69 1jdy n ASP 291 Cb 0.50 -0.09 -0.13 0.00 -1.03 0.00 0.00 41.12 40.37 1jdy n ASP 291 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jdy s ARG 292 N -1.14 1.07 0.01 0.11 0.52 -1.26 -3.70 118.95 114.56 1jdy s ARG 292 Ca 0.21 -0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 54.39 1jdy s ARG 292 Cb 0.13 -1.19 -0.00 0.00 0.52 0.00 0.00 34.95 34.41 1jdy s ARG 292 CO 0.19 0.29 0.12 0.54 0.02 0.00 0.00 175.30 176.46 1jdy s ASN 293 N -1.50 0.05 -0.24 0.23 4.22 0.11 -3.11 114.94 114.70 1jdy s ASN 293 Ca 0.04 -0.26 0.01 0.00 -2.14 0.00 0.00 52.86 50.51 1jdy s ASN 293 Cb -0.09 0.20 0.04 0.00 1.28 0.00 0.00 41.25 42.68 1jdy s ASN 293 CO 0.02 -0.38 -0.11 -0.32 -2.04 0.00 0.00 177.10 174.27 1jdy s MET 294 N -1.53 2.60 -0.12 3.55 1.75 -1.00 -4.61 119.30 119.93 1jdy s MET 294 Ca -0.14 -1.12 -0.16 0.00 -1.25 0.00 0.00 55.69 53.03 1jdy s MET 294 Cb -0.07 -2.85 -0.05 0.00 2.84 0.00 0.00 34.83 34.71 1jdy s MET 294 CO 0.01 -0.44 0.39 0.42 -0.65 0.00 0.00 175.02 174.75 1jdy s ILE 295 N 1.22 5.22 -0.10 10.11 -1.09 -1.26 -2.59 121.20 132.71 1jdy s ILE 295 Ca -0.03 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1jdy s ILE 295 Cb -0.17 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1jdy s ILE 295 CO -0.07 0.39 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.13 1jdy s LEU 296 N 0.29 1.70 0.00 2.97 1.43 0.32 -1.58 118.68 123.81 1jdy s LEU 296 Ca 0.22 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1jdy s LEU 296 Cb -0.14 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1jdy s LEU 296 CO 0.08 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1jdy n GLY 297 N 4.07 0.44 3.76 -3.19 0.00 0.15 -0.49 105.19 109.93 1jdy n GLY 297 Ca -0.20 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 1jdy n GLY 297 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jdy s LYS 298 N -0.01 3.64 -0.30 1.61 2.20 -1.22 -3.16 119.74 122.50 1jdy s LYS 298 Ca 0.00 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1jdy s LYS 298 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1jdy s LYS 298 CO 0.00 -0.72 0.00 0.72 -0.36 0.00 0.00 175.35 174.99 1jdy n HIS 299 N -0.46 0.00 0.00 4.03 8.25 -0.89 -2.29 115.22 123.86 1jdy n HIS 299 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1jdy n HIS 299 Cb 0.46 -1.78 0.00 0.00 1.12 0.00 0.00 29.99 29.78 1jdy n HIS 299 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jdy n GLY 300 N -0.06 0.54 3.52 -1.41 0.00 -1.15 -3.71 105.19 102.92 1jdy n GLY 300 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1jdy n GLY 300 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jdy n PHE 301 N -1.79 0.81 -1.85 1.61 7.35 -0.97 -4.71 117.46 117.91 1jdy n PHE 301 Ca 0.00 0.23 -0.43 0.00 -0.76 0.00 0.00 57.45 56.49 1jdy n PHE 301 Cb 0.00 -2.28 -0.03 0.00 0.35 0.00 0.00 39.48 37.53 1jdy n PHE 301 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1jdy s PHE 302 N 9.46 1.59 -0.59 -5.13 5.36 -1.26 -0.68 117.98 126.73 1jdy s PHE 302 Ca 1.21 0.47 -0.20 0.00 -0.96 0.00 0.00 56.93 57.45 1jdy s PHE 302 Cb -0.80 -4.04 0.08 0.00 -0.34 0.00 0.00 43.02 37.92 1jdy s PHE 302 CO 0.40 -3.60 0.79 0.08 -1.46 0.00 0.00 175.22 171.42 1jdy s VAL 303 N 6.83 4.65 0.11 3.12 1.01 -0.62 -4.98 120.40 130.51 1jdy s VAL 303 Ca 0.86 -0.59 -0.36 0.00 0.00 0.00 0.00 61.98 61.90 1jdy s VAL 303 Cb -0.29 -4.51 -0.17 0.00 0.00 0.00 0.00 36.38 31.42 1jdy s VAL 303 CO 0.34 -1.15 1.28 -3.20 0.00 0.00 0.00 175.10 172.37 1jdy n ASN 304 N 6.81 1.49 0.18 3.32 2.85 -1.26 -4.36 115.26 124.28 1jdy n ASN 304 Ca -0.06 1.13 0.18 0.00 -0.11 0.00 0.00 54.58 55.71 1jdy n ASN 304 Cb 0.44 -1.19 0.72 0.00 1.24 0.00 0.00 39.78 41.00 1jdy n ASN 304 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jdy h PRO 305 N 4.17 0.00 0.20 1.20 0.11 -1.89 0.49 132.00 136.28 1jdy h PRO 305 Ca -0.47 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 1jdy h PRO 305 Cb 1.34 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.47 1jdy h PRO 305 CO 0.75 0.00 -1.65 0.77 -0.21 0.00 0.00 178.00 177.66 1jdy h SER 306 N 0.00 0.67 -0.57 -2.05 0.02 -1.85 -3.24 113.55 106.53 1jdy h SER 306 Ca 0.13 -0.89 -0.11 0.00 -0.84 0.00 0.00 61.79 60.08 1jdy h SER 306 Cb 1.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1jdy h SER 306 CO -0.00 1.73 -0.06 0.44 -1.14 0.00 0.00 176.83 177.80 1jdy h ASP 307 N 0.12 1.04 -0.17 3.07 3.45 -1.31 -3.19 116.42 119.41 1jdy h ASP 307 Ca -0.31 -0.33 0.05 0.00 0.43 0.00 0.00 57.03 56.87 1jdy h ASP 307 Cb 2.12 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 40.55 1jdy h ASP 307 CO 0.21 1.12 -0.15 -1.28 -1.57 0.00 0.00 179.24 177.57 1jdy h SER 308 N 0.93 -0.48 -0.69 6.45 0.87 -1.32 0.16 113.55 119.47 1jdy h SER 308 Ca 0.15 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1jdy h SER 308 Cb 0.63 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1jdy h SER 308 CO 0.04 -0.19 0.45 0.58 -0.53 0.00 0.00 176.83 177.18 1jdy h VAL 309 N -0.16 1.18 -0.21 2.23 2.07 -1.59 -1.69 116.25 118.07 1jdy h VAL 309 Ca 0.11 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 1jdy h VAL 309 Cb 0.33 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1jdy h VAL 309 CO -0.27 0.18 -0.51 0.00 0.02 0.00 0.00 177.57 176.98 1jdy h ALA 310 N 1.56 0.70 0.07 1.67 0.00 -1.11 -1.28 119.26 120.87 1jdy h ALA 310 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jdy h ALA 310 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jdy h ALA 310 CO -0.05 0.68 -0.03 0.28 0.00 0.00 0.00 179.25 180.12 1jdy h VAL 311 N 0.47 1.11 -0.24 0.00 2.07 -0.36 -1.22 116.25 118.09 1jdy h VAL 311 Ca 0.02 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1jdy h VAL 311 Cb 1.06 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1jdy h VAL 311 CO 0.10 0.15 0.01 0.40 0.02 0.00 0.00 177.57 178.25 1jdy h ILE 312 N -0.36 0.84 -0.22 4.57 2.04 -1.34 -1.58 117.51 121.46 1jdy h ILE 312 Ca -0.01 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jdy h ILE 312 Cb 0.32 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1jdy h ILE 312 CO 0.01 0.02 0.13 0.00 0.00 0.00 0.00 178.15 178.31 1jdy h ALA 313 N 1.20 1.81 0.00 1.87 0.00 -1.14 0.26 119.26 123.25 1jdy h ALA 313 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jdy h ALA 313 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jdy h ALA 313 CO -0.18 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1jdy n ALA 314 N -2.50 1.99 -0.55 0.00 0.00 -0.47 -3.27 120.51 115.71 1jdy n ALA 314 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jdy n ALA 314 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1jdy n ALA 314 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jdy n ASN 315 N -1.48 0.68 -0.07 0.00 3.02 -0.85 -4.95 115.26 111.61 1jdy n ASN 315 Ca 0.06 -1.23 0.22 0.00 -0.03 0.00 0.00 54.58 53.59 1jdy n ASN 315 Cb 0.24 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.81 1jdy n ASN 315 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jdy h ILE 316 N 1.13 0.03 -0.00 2.41 2.10 -0.49 -0.55 117.51 122.14 1jdy h ILE 316 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1jdy h ILE 316 Cb 0.54 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 1jdy h ILE 316 CO 0.00 0.00 -0.06 0.49 -1.08 0.00 0.00 178.15 177.50 1jdy n PHE 317 N -3.14 0.00 0.57 2.19 3.01 -1.26 -2.94 117.46 115.89 1jdy n PHE 317 Ca 0.17 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.73 1jdy n PHE 317 Cb 1.31 -0.22 0.43 0.00 -0.01 0.00 0.00 39.48 40.99 1jdy n PHE 317 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1jdy n SER 318 N -1.12 0.31 -4.49 4.37 7.64 -0.22 -4.59 113.62 115.54 1jdy n SER 318 Ca 0.15 0.56 -0.38 0.00 1.01 0.00 0.00 58.87 60.21 1jdy n SER 318 Cb 0.25 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.70 1jdy n SER 318 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jdy s ILE 319 N -3.11 4.73 0.31 0.44 1.01 -1.15 -4.88 121.20 118.54 1jdy s ILE 319 Ca 0.08 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1jdy s ILE 319 Cb 0.11 -3.29 0.38 0.00 0.01 0.00 0.00 42.46 39.67 1jdy s ILE 319 CO 0.39 0.22 1.59 -0.65 0.00 0.00 0.00 174.94 176.49 1jdy h PRO 320 N 8.32 0.04 -0.56 2.79 0.11 -1.81 -0.75 132.00 140.15 1jdy h PRO 320 Ca -0.35 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.83 1jdy h PRO 320 Cb 1.17 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1jdy h PRO 320 CO 0.58 0.03 0.23 -0.92 -0.21 0.00 0.00 178.00 177.71 1jdy h TYR 321 N 0.05 0.41 -0.10 0.65 3.20 -1.58 -1.87 116.97 117.72 1jdy h TYR 321 Ca 0.63 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.41 1jdy h TYR 321 Cb 1.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 1jdy h TYR 321 CO -0.37 0.15 -0.44 0.74 -1.64 0.00 0.00 178.16 176.59 1jdy h PHE 322 N 0.43 0.29 -0.36 -3.82 -1.00 -1.38 0.53 116.94 111.63 1jdy h PHE 322 Ca 0.27 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 1jdy h PHE 322 Cb 0.27 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 1jdy h PHE 322 CO -0.14 0.65 0.11 1.96 -1.61 0.00 0.00 178.31 179.28 1jdy h GLN 323 N 0.20 0.57 0.02 1.51 4.20 -1.29 0.12 115.11 120.44 1jdy h GLN 323 Ca 0.01 -0.12 -0.25 0.00 0.06 0.00 0.00 58.65 58.35 1jdy h GLN 323 Cb 0.86 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1jdy h GLN 323 CO 0.07 0.59 -1.28 1.96 -0.67 0.00 0.00 178.83 179.50 1jdy h GLN 324 N 0.44 0.04 0.00 1.46 4.20 -1.09 -3.38 115.11 116.77 1jdy h GLN 324 Ca 0.12 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1jdy h GLN 324 Cb 0.26 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1jdy h GLN 324 CO -0.00 0.87 -1.56 2.41 -0.67 0.00 0.00 178.83 179.88 1jdy n THR 325 N -3.28 1.09 0.00 -0.54 -1.04 0.15 -5.11 114.28 105.56 1jdy n THR 325 Ca -0.07 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1jdy n THR 325 Cb 0.99 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1jdy n THR 325 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jdy n GLY 326 N 1.42 -2.26 3.32 3.41 0.00 0.03 -4.85 105.19 106.25 1jdy n GLY 326 Ca -0.11 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1jdy n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdy s VAL 327 N -3.43 4.30 -0.56 1.61 1.01 -1.26 -4.85 120.40 117.21 1jdy s VAL 327 Ca 0.00 -1.10 0.13 0.00 0.00 0.00 0.00 61.98 61.02 1jdy s VAL 327 Cb 0.00 -3.48 0.71 0.00 0.00 0.00 0.00 36.38 33.61 1jdy s VAL 327 CO 0.00 -0.32 1.59 -2.11 0.00 0.00 0.00 175.10 174.26 1jdy n ARG 328 N 4.93 4.20 0.00 2.72 1.85 -1.26 -4.98 116.66 124.12 1jdy n ARG 328 Ca -0.11 -2.73 0.00 0.00 -1.00 0.00 0.00 57.85 54.00 1jdy n ARG 328 Cb 0.45 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 1jdy n ARG 328 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jdy n GLY 329 N 0.69 4.43 3.80 2.89 0.00 -1.25 -3.79 105.19 111.96 1jdy n GLY 329 Ca 0.24 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1jdy n GLY 329 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdy s PHE 330 N -0.89 3.06 -0.15 1.61 0.08 0.28 -0.69 117.98 121.27 1jdy s PHE 330 Ca 0.00 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 1jdy s PHE 330 Cb 0.00 -1.39 0.10 0.00 -0.57 0.00 0.00 43.02 41.16 1jdy s PHE 330 CO 0.00 0.53 0.84 0.00 -0.10 0.00 0.00 175.22 176.49 1jdy s ALA 331 N -2.11 -1.85 0.06 5.36 0.00 -0.89 -1.84 121.76 120.49 1jdy s ALA 331 Ca 0.32 1.60 -0.08 0.00 0.00 0.00 0.00 51.96 53.80 1jdy s ALA 331 Cb -0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1jdy s ALA 331 CO 0.24 -0.33 0.16 -0.98 0.00 0.00 0.00 175.76 174.85 1jdy s ARG 332 N -0.71 0.74 0.62 0.00 1.70 -1.07 -1.44 118.95 118.78 1jdy s ARG 332 Ca -0.04 -0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 54.25 1jdy s ARG 332 Cb -0.02 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1jdy s ARG 332 CO 0.04 -0.21 1.03 -1.54 -1.08 0.00 0.00 175.30 173.53 1jdy s SER 333 N -2.51 6.04 0.28 -2.89 1.04 -1.20 -1.48 113.70 112.97 1jdy s SER 333 Ca 0.01 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1jdy s SER 333 Cb 0.02 -2.49 0.48 0.00 0.10 0.00 0.00 66.02 64.14 1jdy s SER 333 CO -0.08 -0.99 1.87 -0.03 0.98 0.00 0.00 173.24 174.99 1jdy h MET 334 N -0.19 1.06 0.00 4.02 4.05 -0.38 -2.72 114.93 120.77 1jdy h MET 334 Ca -0.45 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1jdy h MET 334 Cb 1.20 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1jdy h MET 334 CO 0.60 0.70 0.00 -1.35 0.23 0.00 0.00 176.91 177.10 1jdy h PRO 335 N 1.09 0.00 -6.89 0.39 0.11 -1.94 -3.44 132.00 121.32 1jdy h PRO 335 Ca 0.45 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 66.06 1jdy h PRO 335 Cb 0.29 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.43 1jdy h PRO 335 CO -0.20 0.00 0.50 0.99 -0.21 0.00 0.00 178.00 179.08 1jdy s THR 336 N -3.45 3.28 1.00 -1.15 2.01 -1.03 -4.91 115.64 111.40 1jdy s THR 336 Ca 0.02 1.16 -0.17 0.00 0.31 0.00 0.00 61.69 63.02 1jdy s THR 336 Cb 0.09 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1jdy s THR 336 CO 0.39 0.18 -0.30 -1.20 -0.69 0.00 0.00 174.62 173.00 1jdy n SER 337 N 0.52 -3.57 -0.42 3.53 7.64 -1.26 -4.92 113.62 115.14 1jdy n SER 337 Ca 0.02 0.17 0.06 0.00 1.01 0.00 0.00 58.87 60.12 1jdy n SER 337 Cb 0.46 -0.93 0.20 0.00 -1.01 0.00 0.00 64.21 62.92 1jdy n SER 337 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdy n GLY 338 N 2.49 0.05 0.37 0.23 0.00 -1.26 -4.14 105.19 102.93 1jdy n GLY 338 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1jdy n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdy h ALA 339 N 3.56 1.42 0.00 4.61 0.00 -1.91 -2.04 119.26 124.90 1jdy h ALA 339 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1jdy h ALA 339 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jdy h ALA 339 CO 0.00 0.49 -0.23 1.25 0.00 0.00 0.00 179.25 180.76 1jdy h LEU 340 N 1.16 0.00 0.08 0.00 5.85 -1.82 -2.80 115.31 117.78 1jdy h LEU 340 Ca 0.37 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.81 1jdy h LEU 340 Cb 0.03 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.08 1jdy h LEU 340 CO -0.12 0.23 -1.22 0.44 -0.34 0.00 0.00 178.44 177.44 1jdy h ASP 341 N 0.00 0.63 -0.62 1.25 3.45 -1.67 -0.28 116.42 119.17 1jdy h ASP 341 Ca -0.00 -0.61 -0.03 0.00 0.43 0.00 0.00 57.03 56.82 1jdy h ASP 341 Cb 0.66 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 1jdy h ASP 341 CO 0.03 1.45 0.30 0.03 -1.57 0.00 0.00 179.24 179.48 1jdy h ARG 342 N 0.17 0.93 0.17 3.56 2.47 -1.13 0.72 114.38 121.27 1jdy h ARG 342 Ca -0.16 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 1jdy h ARG 342 Cb 1.90 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 1jdy h ARG 342 CO 0.22 0.72 -0.08 0.28 0.56 0.00 0.00 179.97 181.67 1jdy h VAL 343 N 0.92 0.83 -0.90 2.04 2.07 -1.50 -3.18 116.25 116.53 1jdy h VAL 343 Ca 0.23 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 66.77 1jdy h VAL 343 Cb 0.11 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1jdy h VAL 343 CO -0.03 0.21 0.53 0.00 0.02 0.00 0.00 177.57 178.30 1jdy h ALA 344 N -0.29 1.32 0.00 1.67 0.00 -0.82 -1.82 119.26 119.32 1jdy h ALA 344 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jdy h ALA 344 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jdy h ALA 344 CO 0.04 0.13 -0.11 -0.91 0.00 0.00 0.00 179.25 178.40 1jdy h ASN 345 N 0.85 0.00 0.25 0.00 -0.26 -0.94 -1.71 115.58 113.78 1jdy h ASN 345 Ca 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.19 1jdy h ASN 345 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1jdy h ASN 345 CO -0.27 0.11 0.00 0.00 -1.06 0.00 0.00 177.43 176.21 1jdy n ALA 346 N -2.25 1.97 -2.23 -0.83 0.00 -0.69 -4.78 120.51 111.70 1jdy n ALA 346 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1jdy n ALA 346 Cb 0.25 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1jdy n ALA 346 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jdy s THR 347 N -2.45 0.77 -0.14 0.00 -4.23 -0.64 -5.03 115.64 103.92 1jdy s THR 347 Ca 0.18 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 1jdy s THR 347 Cb 0.11 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 72.07 1jdy s THR 347 CO 0.24 -0.61 1.09 0.29 -0.54 0.00 0.00 174.62 175.09 1jdy n LYS 348 N -0.19 1.21 -3.78 3.99 5.02 -1.26 -4.79 118.16 118.36 1jdy n LYS 348 Ca -0.08 -0.43 -0.36 0.00 -2.02 0.00 0.00 58.31 55.42 1jdy n LYS 348 Cb 0.62 -1.21 -0.11 0.00 -0.02 0.00 0.00 35.03 34.32 1jdy n LYS 348 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jdy s ILE 349 N -0.53 4.89 0.31 -0.18 1.01 -1.26 -5.08 121.20 120.36 1jdy s ILE 349 Ca 0.08 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1jdy s ILE 349 Cb 0.07 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 39.15 1jdy s ILE 349 CO 0.02 0.36 1.49 0.00 0.00 0.00 0.00 174.94 176.81 1jdy n ALA 350 N 4.36 2.02 -2.54 9.38 0.00 -1.26 -4.71 120.51 127.75 1jdy n ALA 350 Ca -0.16 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1jdy n ALA 350 Cb 0.52 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 1jdy n ALA 350 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jdy s LEU 351 N -0.76 2.82 -0.15 0.00 2.96 -1.26 -0.56 118.68 121.73 1jdy s LEU 351 Ca 0.61 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1jdy s LEU 351 Cb -0.53 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1jdy s LEU 351 CO 0.54 0.34 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.43 1jdy s TYR 352 N -0.66 2.36 -0.26 5.38 2.02 -0.77 -4.98 117.35 120.45 1jdy s TYR 352 Ca 0.10 -1.31 -0.20 0.00 -0.37 0.00 0.00 57.07 55.29 1jdy s TYR 352 Cb -0.11 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1jdy s TYR 352 CO 0.01 -0.68 0.60 -2.00 -1.57 0.00 0.00 175.55 171.91 1jdy s GLU 353 N 1.29 4.08 0.29 -0.62 2.12 -1.26 -2.61 118.70 121.99 1jdy s GLU 353 Ca 0.02 0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.87 1jdy s GLU 353 Cb -0.13 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 1jdy s GLU 353 CO -0.09 -0.41 -0.01 0.95 -0.54 0.00 0.00 175.26 175.15 1jdy s THR 354 N 2.46 1.44 0.91 -1.70 -4.23 -0.55 -4.87 115.64 109.11 1jdy s THR 354 Ca 0.25 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.54 1jdy s THR 354 Cb -0.15 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1jdy s THR 354 CO 0.09 -0.20 0.71 -2.65 -0.54 0.00 0.00 174.62 172.03 1jdy n PRO 355 N -0.61 -2.99 -2.88 3.99 -0.02 -1.26 0.31 135.00 131.53 1jdy n PRO 355 Ca -0.04 -1.15 -0.37 0.00 -2.02 0.00 0.00 63.50 59.91 1jdy n PRO 355 Cb 0.65 -1.20 -0.06 0.00 -0.02 0.00 0.00 33.50 32.86 1jdy n PRO 355 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jdy s THR 356 N -2.19 4.32 0.00 3.45 2.01 -1.26 -4.52 115.64 117.45 1jdy s THR 356 Ca 0.49 1.67 0.00 0.00 0.31 0.00 0.00 61.69 64.15 1jdy s THR 356 Cb -0.06 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1jdy s THR 356 CO 0.38 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1jdy n GLY 357 N 0.67 0.81 0.32 4.40 0.00 -1.26 -4.90 105.19 105.23 1jdy n GLY 357 Ca 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.76 1jdy n GLY 357 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jdy n TRP 358 N 1.43 0.72 -0.42 1.61 -0.00 -1.26 -2.61 117.44 116.91 1jdy n TRP 358 Ca 0.00 1.15 0.36 0.00 -0.00 0.00 0.00 57.50 59.00 1jdy n TRP 358 Cb 0.00 -1.28 0.60 0.00 -0.00 0.00 0.00 31.31 30.63 1jdy n TRP 358 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1jdy n LYS 359 N -5.36 -0.03 -0.06 5.87 0.00 -1.26 0.32 118.16 117.64 1jdy n LYS 359 Ca 0.25 1.09 -0.15 0.00 -0.00 0.00 0.00 58.31 59.50 1jdy n LYS 359 Cb 0.84 -2.17 -0.06 0.00 -0.00 0.00 0.00 35.03 33.64 1jdy n LYS 359 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1jdy h PHE 360 N 0.00 0.93 0.01 5.58 0.04 -1.85 -2.19 116.94 119.46 1jdy h PHE 360 Ca 0.77 -0.35 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 1jdy h PHE 360 Cb 2.52 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 40.51 1jdy h PHE 360 CO -0.01 1.15 -0.01 0.74 -0.60 0.00 0.00 178.31 179.59 1jdy h PHE 361 N 0.44 -0.01 0.27 -0.55 0.04 -0.33 -3.17 116.94 113.63 1jdy h PHE 361 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jdy h PHE 361 Cb 1.13 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.25 1jdy h PHE 361 CO 0.09 0.33 -0.47 0.78 -0.60 0.00 0.00 178.31 178.44 1jdy h GLY 362 N -0.36 -1.06 0.68 -1.45 0.00 -1.05 -0.80 103.07 99.04 1jdy h GLY 362 Ca -0.00 0.56 0.12 0.00 0.00 0.00 0.00 47.33 48.01 1jdy h GLY 362 CO 0.00 -0.31 0.54 3.43 0.00 0.00 0.00 176.54 180.20 1jdy h ASN 363 N -0.81 0.62 -0.33 0.19 2.35 -1.49 -0.27 115.58 115.84 1jdy h ASN 363 Ca -0.02 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1jdy h ASN 363 Cb 0.77 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1jdy h ASN 363 CO -0.18 0.34 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.77 1jdy h LEU 364 N 0.67 0.67 -0.57 1.61 3.38 -1.39 -2.05 115.31 117.63 1jdy h LEU 364 Ca 0.40 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jdy h LEU 364 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1jdy h LEU 364 CO -0.16 0.90 0.36 0.24 0.09 0.00 0.00 178.44 179.86 1jdy h MET 365 N 0.43 0.77 0.00 1.13 2.86 0.34 -0.64 114.93 119.81 1jdy h MET 365 Ca 0.08 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1jdy h MET 365 Cb 0.62 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1jdy h MET 365 CO 0.04 0.53 -0.20 -0.44 1.06 0.00 0.00 176.91 177.90 1jdy h ASP 366 N 0.77 0.00 -0.11 1.22 3.45 -1.03 -2.01 116.42 118.70 1jdy h ASP 366 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1jdy h ASP 366 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1jdy h ASP 366 CO -0.04 0.20 0.00 0.00 -1.57 0.00 0.00 179.24 177.83 1jdy n ALA 367 N -2.28 2.54 -3.61 3.45 0.00 -0.39 -4.88 120.51 115.34 1jdy n ALA 367 Ca -0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1jdy n ALA 367 Cb 0.34 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.72 1jdy n ALA 367 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jdy n SER 368 N -0.13 -4.78 0.00 0.00 7.64 -0.76 -4.91 113.62 110.68 1jdy n SER 368 Ca 0.13 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1jdy n SER 368 Cb 0.19 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1jdy n SER 368 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jdy n LYS 369 N -4.71 1.00 -3.69 1.43 4.76 -0.39 -4.94 118.16 111.62 1jdy n LYS 369 Ca -0.08 -0.96 -0.13 0.00 -2.87 0.00 0.00 58.31 54.28 1jdy n LYS 369 Cb 0.59 -0.95 -0.13 0.00 -1.84 0.00 0.00 35.03 32.70 1jdy n LYS 369 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1jdy s LEU 370 N -0.48 -0.03 -0.16 -0.35 2.96 -1.24 -3.80 118.68 115.58 1jdy s LEU 370 Ca 0.00 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1jdy s LEU 370 Cb 0.00 0.80 -0.08 0.00 0.50 0.00 0.00 46.19 47.42 1jdy s LEU 370 CO 0.00 -0.21 -0.19 -1.20 -1.32 0.00 0.00 176.35 173.43 1jdy n SER 371 N 4.83 1.55 -4.27 3.68 7.64 0.13 -4.32 113.62 122.85 1jdy n SER 371 Ca -0.15 0.13 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 1jdy n SER 371 Cb 0.51 -0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 1jdy n SER 371 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1jdy s LEU 372 N -6.63 2.24 0.02 -3.43 2.96 -1.14 -2.12 118.68 110.58 1jdy s LEU 372 Ca -0.22 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 1jdy s LEU 372 Cb 0.08 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1jdy s LEU 372 CO 0.30 0.19 -0.03 0.00 -1.32 0.00 0.00 176.35 175.48 1jdy s GLY 374 N -1.45 0.13 0.02 0.00 0.00 -0.52 -1.48 107.32 104.01 1jdy s GLY 374 Ca -0.15 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1jdy s GLY 374 CO -0.01 -0.78 -0.12 -0.54 0.00 0.00 0.00 173.10 171.66 1jdy s GLU 375 N -3.49 0.83 0.09 2.90 2.02 0.00 -3.21 118.70 117.84 1jdy s GLU 375 Ca 0.02 -0.60 0.11 0.00 0.02 0.00 0.00 54.97 54.52 1jdy s GLU 375 Cb 0.03 -0.79 0.50 0.00 0.10 0.00 0.00 34.13 33.98 1jdy s GLU 375 CO -0.09 0.20 1.34 -0.85 0.02 0.00 0.00 175.26 175.88 1jdy n GLU 376 N 2.21 0.05 -1.50 1.61 -0.00 -1.26 -3.07 120.64 118.67 1jdy n GLU 376 Ca -0.17 0.44 -0.27 0.00 -0.00 0.00 0.00 57.16 57.16 1jdy n GLU 376 Cb 0.55 -1.63 -0.05 0.00 -0.00 0.00 0.00 31.44 30.31 1jdy n GLU 376 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jdy n SER 377 N -1.73 6.51 -3.83 -1.84 3.41 -1.26 -4.61 113.62 110.28 1jdy n SER 377 Ca 0.01 -3.23 -0.26 0.00 -0.26 0.00 0.00 58.87 55.13 1jdy n SER 377 Cb 0.08 -1.23 0.03 0.00 -0.26 0.00 0.00 64.21 62.83 1jdy n SER 377 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1jdy n PHE 378 N 0.82 -2.10 -4.67 7.33 3.72 -1.22 -4.89 117.46 116.44 1jdy n PHE 378 Ca 0.49 0.87 -0.26 0.00 -0.05 0.00 0.00 57.45 58.50 1jdy n PHE 378 Cb 0.54 -4.14 -0.17 0.00 -0.94 0.00 0.00 39.48 34.77 1jdy n PHE 378 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jdy s GLY 379 N -3.82 0.88 -0.01 1.37 0.00 -1.17 -0.72 107.32 103.85 1jdy s GLY 379 Ca 0.35 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 1jdy s GLY 379 CO 0.83 0.06 0.03 -1.59 0.00 0.00 0.00 173.10 172.43 1jdy s THR 380 N 0.63 0.02 0.16 0.90 2.01 -1.26 -0.82 115.64 117.29 1jdy s THR 380 Ca -0.15 -0.20 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1jdy s THR 380 Cb -0.16 -0.12 0.06 0.00 0.01 0.00 0.00 72.50 72.30 1jdy s THR 380 CO 0.04 -0.11 0.96 -0.83 -0.69 0.00 0.00 174.62 173.99 1jdy s GLY 381 N -0.31 -0.19 0.34 4.40 0.00 -0.55 -1.88 107.32 109.13 1jdy s GLY 381 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1jdy s GLY 381 CO -0.00 0.16 0.36 -1.35 0.00 0.00 0.00 173.10 172.26 1jdy s SER 382 N -2.98 1.50 0.00 1.64 1.04 -1.26 -0.78 113.70 112.86 1jdy s SER 382 Ca 0.13 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1jdy s SER 382 Cb -0.02 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1jdy s SER 382 CO 0.03 -1.16 0.71 -0.90 0.98 0.00 0.00 173.24 172.90 1jdy n ASP 383 N -1.59 0.10 0.14 7.02 5.75 -0.90 -3.89 116.55 123.18 1jdy n ASP 383 Ca 0.05 -1.53 0.03 0.00 -0.01 0.00 0.00 54.79 53.33 1jdy n ASP 383 Cb 0.62 -0.05 0.41 0.00 -1.03 0.00 0.00 41.12 41.06 1jdy n ASP 383 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jdy h HIS 384 N 0.03 0.20 -3.28 2.11 2.07 -1.96 -3.44 115.15 110.89 1jdy h HIS 384 Ca 0.00 -0.02 -0.19 0.00 -2.85 0.00 0.00 60.37 57.31 1jdy h HIS 384 Cb 0.05 -0.06 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 1jdy h HIS 384 CO 0.00 0.34 -0.17 0.44 -3.07 0.00 0.00 177.93 175.47 1jdy n ILE 385 N -4.27 0.00 -2.85 6.12 -5.35 -1.25 -4.94 119.36 106.81 1jdy n ILE 385 Ca -0.01 -0.89 -0.25 0.00 -0.27 0.00 0.00 62.75 61.33 1jdy n ILE 385 Cb 0.27 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 38.54 1jdy n ILE 385 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jdy n ARG 386 N -0.27 2.97 -3.78 6.28 5.12 -1.26 -4.90 116.66 120.82 1jdy n ARG 386 Ca 0.01 -4.57 -0.03 0.00 -1.93 0.00 0.00 57.85 51.33 1jdy n ARG 386 Cb 0.22 -2.15 -0.01 0.00 -1.16 0.00 0.00 32.46 29.37 1jdy n ARG 386 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1jdy s GLU 387 N -3.37 1.24 0.66 5.56 0.41 -1.26 -3.87 118.70 118.07 1jdy s GLU 387 Ca 0.47 -0.71 -0.09 0.00 -0.41 0.00 0.00 54.97 54.23 1jdy s GLU 387 Cb 0.32 0.41 0.01 0.00 -1.78 0.00 0.00 34.13 33.09 1jdy s GLU 387 CO -0.14 -0.57 1.02 0.15 -0.49 0.00 0.00 175.26 175.23 1jdy s LYS 388 N -3.07 2.92 -0.26 1.61 1.02 -1.26 -4.72 119.74 115.97 1jdy s LYS 388 Ca 0.14 0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.41 1jdy s LYS 388 Cb -0.02 -2.11 0.10 0.00 -0.52 0.00 0.00 37.83 35.28 1jdy s LYS 388 CO 0.03 -0.89 0.16 0.34 -0.92 0.00 0.00 175.35 174.07 1jdy s ASP 389 N -4.33 2.84 0.11 2.83 -1.08 -0.79 -4.43 116.67 111.82 1jdy s ASP 389 Ca 0.56 -1.00 -0.26 0.00 -0.52 0.00 0.00 52.55 51.33 1jdy s ASP 389 Cb -0.11 -0.11 -0.09 0.00 -1.46 0.00 0.00 42.92 41.14 1jdy s ASP 389 CO 0.49 -0.41 1.66 1.23 0.52 0.00 0.00 175.17 178.66 1jdy h GLY 390 N 8.38 -0.40 1.62 2.66 0.00 -1.16 -2.34 103.07 111.83 1jdy h GLY 390 Ca -0.18 0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1jdy h GLY 390 CO 0.38 -0.20 -0.30 -2.00 0.00 0.00 0.00 176.54 174.43 1jdy h LEU 391 N -0.41 0.44 -0.66 3.11 5.85 -1.91 -2.27 115.31 119.46 1jdy h LEU 391 Ca 0.02 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1jdy h LEU 391 Cb 0.42 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1jdy h LEU 391 CO -0.11 0.73 0.40 -0.25 -0.34 0.00 0.00 178.44 178.87 1jdy h TRP 392 N 0.38 0.86 -0.60 1.25 7.01 -1.87 0.43 115.95 123.41 1jdy h TRP 392 Ca 0.05 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1jdy h TRP 392 Cb 0.72 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 1jdy h TRP 392 CO 0.02 0.58 0.34 0.00 -2.79 0.00 0.00 178.44 176.59 1jdy h ALA 393 N 1.21 1.49 0.05 2.65 0.00 -0.88 -0.67 119.26 123.11 1jdy h ALA 393 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jdy h ALA 393 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1jdy h ALA 393 CO -0.05 0.44 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 1jdy h VAL 394 N 0.82 1.17 -0.33 0.00 2.07 -0.89 -0.32 116.25 118.76 1jdy h VAL 394 Ca 0.21 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1jdy h VAL 394 Cb -0.01 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1jdy h VAL 394 CO -0.04 0.19 0.08 -0.07 0.02 0.00 0.00 177.57 177.75 1jdy h LEU 395 N -0.42 0.44 -0.77 2.57 3.38 -0.76 0.16 115.31 119.92 1jdy h LEU 395 Ca -0.01 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jdy h LEU 395 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1jdy h LEU 395 CO 0.01 0.45 0.08 0.00 0.09 0.00 0.00 178.44 179.07 1jdy h ALA 396 N 1.61 0.98 -0.18 1.53 0.00 -0.98 0.20 119.26 122.41 1jdy h ALA 396 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1jdy h ALA 396 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jdy h ALA 396 CO -0.00 0.64 -0.03 -1.49 0.00 0.00 0.00 179.25 178.37 1jdy h TRP 397 N 0.95 0.38 -0.07 0.00 4.06 0.21 -0.66 115.95 120.81 1jdy h TRP 397 Ca 0.19 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 61.02 1jdy h TRP 397 Cb 0.44 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1jdy h TRP 397 CO 0.03 0.58 -0.16 -0.07 -3.56 0.00 0.00 178.44 175.26 1jdy h LEU 398 N 0.06 0.11 -0.57 -4.49 3.38 -0.47 -0.20 115.31 113.13 1jdy h LEU 398 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1jdy h LEU 398 Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jdy h LEU 398 CO 0.01 0.28 -0.05 0.28 0.09 0.00 0.00 178.44 179.05 1jdy h SER 399 N 0.11 1.04 0.23 -0.43 0.02 -0.30 -0.70 113.55 113.51 1jdy h SER 399 Ca 0.02 -0.33 -0.16 0.00 -0.84 0.00 0.00 61.79 60.49 1jdy h SER 399 Cb 0.35 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1jdy h SER 399 CO 0.02 1.12 -0.60 0.40 -1.14 0.00 0.00 176.83 176.63 1jdy h ILE 400 N 0.94 1.36 -0.57 3.27 2.04 0.34 -2.59 117.51 122.29 1jdy h ILE 400 Ca 0.16 -1.93 -0.07 0.00 1.00 0.00 0.00 64.86 64.02 1jdy h ILE 400 Cb 0.62 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1jdy h ILE 400 CO 0.04 0.58 0.10 -0.07 0.00 0.00 0.00 178.15 178.80 1jdy h LEU 401 N 0.28 0.91 -0.23 1.44 3.38 -0.83 -1.72 115.31 118.53 1jdy h LEU 401 Ca -0.01 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1jdy h LEU 401 Cb 1.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1jdy h LEU 401 CO 0.10 0.93 0.01 0.00 0.09 0.00 0.00 178.44 179.57 1jdy h ALA 402 N 1.01 0.21 0.40 1.53 0.00 -1.04 0.17 119.26 121.54 1jdy h ALA 402 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jdy h ALA 402 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jdy h ALA 402 CO 0.01 -0.42 -0.19 1.15 0.00 0.00 0.00 179.25 179.80 1jdy h THR 403 N 0.08 0.48 -0.54 0.00 2.02 -1.42 -3.34 112.91 110.19 1jdy h THR 403 Ca 0.11 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1jdy h THR 403 Cb 0.14 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1jdy h THR 403 CO -0.18 0.08 0.29 0.03 0.37 0.00 0.00 175.52 176.11 1jdy h ARG 404 N -0.92 0.76 -1.58 6.66 2.47 -1.26 -3.47 114.38 117.05 1jdy h ARG 404 Ca -0.06 -0.09 -0.28 0.00 -1.26 0.00 0.00 59.98 58.29 1jdy h ARG 404 Cb 0.55 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1jdy h ARG 404 CO 0.09 0.59 -0.33 1.63 0.56 0.00 0.00 179.97 182.52 1jdy n LYS 405 N -4.61 -1.07 -4.23 0.04 5.02 0.58 -5.03 118.16 108.84 1jdy n LYS 405 Ca 0.03 0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 56.86 1jdy n LYS 405 Cb 0.09 -5.00 -0.07 0.00 -0.02 0.00 0.00 35.03 30.03 1jdy n LYS 405 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jdy s GLN 406 N -4.22 2.30 0.76 1.97 -0.21 -1.26 -5.11 119.66 113.88 1jdy s GLN 406 Ca 0.00 -1.51 -0.12 0.00 0.02 0.00 0.00 55.36 53.76 1jdy s GLN 406 Cb 0.00 -2.14 0.05 0.00 1.00 0.00 0.00 33.01 31.92 1jdy s GLN 406 CO 0.00 0.25 1.12 -1.54 -2.12 0.00 0.00 175.29 172.99 1jdy s SER 407 N -3.74 4.93 0.27 5.90 1.04 -1.26 -4.86 113.70 115.99 1jdy s SER 407 Ca 0.34 1.09 -0.02 0.00 0.48 0.00 0.00 55.95 57.83 1jdy s SER 407 Cb -0.04 -1.79 0.41 0.00 0.10 0.00 0.00 66.02 64.69 1jdy s SER 407 CO 0.21 -1.66 1.90 0.58 0.98 0.00 0.00 173.24 175.25 1jdy h VAL 408 N -0.88 1.12 -0.85 5.02 2.07 -1.98 -2.04 116.25 118.71 1jdy h VAL 408 Ca -0.46 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1jdy h VAL 408 Cb 1.28 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1jdy h VAL 408 CO 0.63 0.22 0.43 -0.08 0.02 0.00 0.00 177.57 178.79 1jdy h GLU 409 N 1.18 1.21 -0.38 1.57 4.81 -1.95 -1.81 114.58 119.21 1jdy h GLU 409 Ca 0.41 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1jdy h GLU 409 Cb 0.10 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1jdy h GLU 409 CO -0.15 0.92 -0.20 -0.44 -0.73 0.00 0.00 179.01 178.41 1jdy h ASP 410 N 1.20 0.74 -0.62 1.04 3.32 -1.83 -1.68 116.42 118.59 1jdy h ASP 410 Ca 0.29 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1jdy h ASP 410 Cb 0.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1jdy h ASP 410 CO -0.04 0.93 0.19 0.40 -1.72 0.00 0.00 179.24 179.00 1jdy h ILE 411 N 0.65 1.24 -0.17 0.35 2.04 -0.65 -2.34 117.51 118.63 1jdy h ILE 411 Ca 0.10 -0.85 -0.22 0.00 1.00 0.00 0.00 64.86 64.89 1jdy h ILE 411 Cb 0.69 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1jdy h ILE 411 CO 0.05 0.33 -0.76 -0.07 0.00 0.00 0.00 178.15 177.70 1jdy h LEU 412 N 0.96 0.95 -0.69 1.44 3.38 -1.13 -1.93 115.31 118.29 1jdy h LEU 412 Ca 0.21 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1jdy h LEU 412 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1jdy h LEU 412 CO -0.01 1.41 0.37 0.11 0.09 0.00 0.00 178.44 180.42 1jdy h LYS 413 N 0.55 0.97 -0.32 1.13 1.57 -1.24 0.30 116.57 119.54 1jdy h LYS 413 Ca -0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1jdy h LYS 413 Cb 1.39 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1jdy h LYS 413 CO 0.16 0.73 0.21 0.22 -0.57 0.00 0.00 179.45 180.19 1jdy h ASP 414 N 0.95 0.37 -0.13 0.86 3.58 -1.46 -0.58 116.42 120.01 1jdy h ASP 414 Ca 0.24 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.71 1jdy h ASP 414 Cb 0.05 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1jdy h ASP 414 CO -0.04 0.27 -0.08 -0.74 -2.88 0.00 0.00 179.24 175.78 1jdy h HIS 415 N 0.42 -0.19 0.00 0.28 2.76 -0.69 -0.42 115.15 117.31 1jdy h HIS 415 Ca 0.12 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1jdy h HIS 415 Cb -0.04 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1jdy h HIS 415 CO -0.05 -0.12 -0.31 -1.49 -1.30 0.00 0.00 177.93 174.66 1jdy h TRP 416 N -0.08 0.00 0.00 5.26 6.55 -0.78 -0.18 115.95 126.73 1jdy h TRP 416 Ca 0.08 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.81 1jdy h TRP 416 Cb 0.19 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 1jdy h TRP 416 CO -0.21 0.31 -0.52 0.45 -1.05 0.00 0.00 178.44 177.42 1jdy h HIS 417 N 0.00 0.00 0.00 0.49 3.86 -0.04 0.46 115.15 119.92 1jdy h HIS 417 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1jdy h HIS 417 Cb 0.62 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1jdy h HIS 417 CO 0.00 0.52 -0.07 -0.22 0.86 0.00 0.00 177.93 179.02 1jdy h LYS 418 N 0.00 0.00 -0.25 2.45 3.64 -0.78 -3.38 116.57 118.24 1jdy h LYS 418 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jdy h LYS 418 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1jdy h LYS 418 CO 0.07 0.77 0.00 1.19 -2.27 0.00 0.00 179.45 179.20 1jdy n PHE 419 N -4.64 0.31 -0.45 1.91 3.72 -0.11 -5.10 117.46 113.10 1jdy n PHE 419 Ca -0.09 -0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.21 1jdy n PHE 419 Cb 0.38 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 1jdy n PHE 419 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jdy n GLY 420 N 1.45 -2.37 3.49 1.37 0.00 0.16 -4.90 105.19 104.40 1jdy n GLY 420 Ca 0.17 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1jdy n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jdy s ARG 421 N -2.69 3.46 -0.61 1.61 3.52 -0.18 -4.28 118.95 119.77 1jdy s ARG 421 Ca 0.00 -0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 54.92 1jdy s ARG 421 Cb 0.00 -2.81 0.16 0.00 -1.56 0.00 0.00 34.95 30.74 1jdy s ARG 421 CO 0.00 0.32 0.54 -0.80 -0.81 0.00 0.00 175.30 174.54 1jdy s ASN 422 N 0.14 6.16 0.19 -2.12 0.01 -1.26 -1.65 114.94 116.41 1jdy s ASN 422 Ca -0.02 -2.17 -0.31 0.00 -0.71 0.00 0.00 52.86 49.65 1jdy s ASN 422 Cb -0.14 -2.13 -0.10 0.00 0.41 0.00 0.00 41.25 39.29 1jdy s ASN 422 CO 0.03 -0.70 1.49 -0.36 -1.51 0.00 0.00 177.10 176.06 1jdy s PHE 423 N 0.99 3.08 -0.03 2.20 0.40 -0.24 -4.78 117.98 119.60 1jdy s PHE 423 Ca 0.09 0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 57.21 1jdy s PHE 423 Cb -0.23 -3.84 0.01 0.00 0.51 0.00 0.00 43.02 39.47 1jdy s PHE 423 CO -0.02 -2.96 0.11 0.12 0.70 0.00 0.00 175.22 173.17 1jdy s PHE 424 N 0.72 -0.05 0.17 0.36 2.19 -1.26 -0.13 117.98 119.98 1jdy s PHE 424 Ca 0.65 0.13 -0.12 0.00 0.33 0.00 0.00 56.93 57.93 1jdy s PHE 424 Cb -0.42 0.00 0.00 0.00 -1.31 0.00 0.00 43.02 41.30 1jdy s PHE 424 CO 0.35 -0.13 0.36 -0.08 1.83 0.00 0.00 175.22 177.56 1jdy s THR 425 N -0.41 0.05 -0.11 0.12 -1.32 -1.04 -5.04 115.64 107.90 1jdy s THR 425 Ca -0.05 -1.16 -0.04 0.00 -1.21 0.00 0.00 61.69 59.23 1jdy s THR 425 Cb -0.03 -1.73 0.06 0.00 -1.51 0.00 0.00 72.50 69.29 1jdy s THR 425 CO 0.00 -0.25 0.21 -0.60 -2.21 0.00 0.00 174.62 171.78 1jdy s ARG 426 N -3.93 0.10 -0.41 7.08 3.52 0.12 -2.39 118.95 123.03 1jdy s ARG 426 Ca 0.14 0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 56.23 1jdy s ARG 426 Cb 0.02 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1jdy s ARG 426 CO -0.01 -0.29 0.36 0.71 -0.81 0.00 0.00 175.30 175.26 1jdy s TYR 427 N 2.31 3.21 -0.62 5.12 4.12 0.44 -0.40 117.35 131.53 1jdy s TYR 427 Ca 0.02 -0.49 -0.21 0.00 0.02 0.00 0.00 57.07 56.41 1jdy s TYR 427 Cb -0.12 -2.72 0.08 0.00 -1.52 0.00 0.00 41.96 37.67 1jdy s TYR 427 CO -0.07 -0.64 0.86 -0.51 0.02 0.00 0.00 175.55 175.21 1jdy s ASP 428 N 1.74 6.19 -1.19 2.29 1.01 -0.14 -0.80 116.67 125.77 1jdy s ASP 428 Ca 0.08 -1.08 -0.10 0.00 0.71 0.00 0.00 52.55 52.17 1jdy s ASP 428 Cb -0.18 -2.37 0.22 0.00 1.01 0.00 0.00 42.92 41.59 1jdy s ASP 428 CO 0.12 -1.29 1.51 -1.22 0.21 0.00 0.00 175.17 174.50 1jdy n TYR 429 N 7.16 3.99 -1.70 4.23 4.01 0.11 -0.68 117.16 134.28 1jdy n TYR 429 Ca -0.05 -3.17 -0.43 0.00 -0.16 0.00 0.00 57.90 54.08 1jdy n TYR 429 Cb 0.45 -1.86 -0.03 0.00 -0.31 0.00 0.00 39.34 37.58 1jdy n TYR 429 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1jdy n GLU 430 N 3.78 2.53 -1.48 -0.72 -0.58 -1.26 -1.46 120.64 121.44 1jdy n GLU 430 Ca 0.33 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.98 1jdy n GLU 430 Cb 0.38 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.55 1jdy n GLU 430 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1jdy n GLU 431 N 3.39 0.00 -4.65 3.49 4.07 -1.26 -4.90 120.64 120.79 1jdy n GLU 431 Ca 0.15 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.96 1jdy n GLU 431 Cb 0.33 -0.38 -0.08 0.00 -0.06 0.00 0.00 31.44 31.25 1jdy n GLU 431 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1jdy s VAL 432 N 0.00 1.08 -0.53 6.31 -7.23 0.19 -4.82 120.40 115.40 1jdy s VAL 432 Ca 0.00 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 1jdy s VAL 432 Cb 0.00 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.62 1jdy s VAL 432 CO 0.00 0.00 0.99 -0.70 -0.31 0.00 0.00 175.10 175.08 1jdy s GLU 433 N -3.81 3.42 0.09 4.82 2.56 -1.26 -2.43 118.70 122.10 1jdy s GLU 433 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.97 55.13 1jdy s GLU 433 Cb 0.03 -4.01 0.28 0.00 2.00 0.00 0.00 34.13 32.43 1jdy s GLU 433 CO 0.09 -1.46 0.41 0.00 -0.56 0.00 0.00 175.26 173.74 1jdy n ALA 434 N 7.60 0.21 0.03 6.30 0.00 -1.26 -2.24 120.51 131.15 1jdy n ALA 434 Ca 0.04 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1jdy n ALA 434 Cb 0.48 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 1jdy n ALA 434 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jdy h GLU 435 N 0.00 0.01 -0.46 0.00 4.22 -1.97 -1.22 114.58 115.16 1jdy h GLU 435 Ca 0.19 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.65 1jdy h GLU 435 Cb 0.47 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1jdy h GLU 435 CO -0.22 0.08 0.28 0.78 -2.18 0.00 0.00 179.01 177.76 1jdy h GLY 436 N -0.06 0.64 0.96 1.92 0.00 -1.66 -0.92 103.07 103.95 1jdy h GLY 436 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1jdy h GLY 436 CO -0.00 0.20 -0.21 0.00 0.00 0.00 0.00 176.54 176.53 1jdy h ALA 437 N 1.19 -0.56 -0.20 3.60 0.00 -1.59 -0.59 119.26 121.12 1jdy h ALA 437 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jdy h ALA 437 Cb -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jdy h ALA 437 CO -0.06 -0.82 0.13 1.79 0.00 0.00 0.00 179.25 180.29 1jdy h THR 438 N -0.56 1.05 0.56 0.00 1.35 -1.09 -0.68 112.91 113.55 1jdy h THR 438 Ca -0.05 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.68 1jdy h THR 438 Cb 0.44 0.76 0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1jdy h THR 438 CO 0.07 0.05 -0.27 0.50 -0.25 0.00 0.00 175.52 175.63 1jdy h LYS 439 N 0.27 -0.72 -1.01 4.72 3.64 -0.74 -0.88 116.57 121.85 1jdy h LYS 439 Ca 0.07 0.05 0.24 0.00 -1.27 0.00 0.00 60.65 59.74 1jdy h LYS 439 Cb -0.02 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 31.85 1jdy h LYS 439 CO -0.02 -0.42 0.62 1.98 -2.27 0.00 0.00 179.45 179.34 1jdy h MET 440 N -0.96 0.56 0.09 1.90 4.05 -0.45 0.18 114.93 120.30 1jdy h MET 440 Ca -0.08 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1jdy h MET 440 Cb 0.64 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1jdy h MET 440 CO 0.13 0.37 -0.04 0.52 0.23 0.00 0.00 176.91 178.12 1jdy h MET 441 N 0.58 -0.11 -0.84 0.39 2.86 -1.04 -2.63 114.93 114.13 1jdy h MET 441 Ca 0.61 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.24 1jdy h MET 441 Cb 1.21 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 1jdy h MET 441 CO -0.40 0.40 0.44 0.87 1.06 0.00 0.00 176.91 179.28 1jdy h LYS 442 N -0.72 1.18 0.38 1.72 1.79 0.43 -0.12 116.57 121.23 1jdy h LYS 442 Ca -0.01 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1jdy h LYS 442 Cb 0.56 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1jdy h LYS 442 CO 0.02 0.88 -0.28 -0.44 -1.08 0.00 0.00 179.45 178.54 1jdy h ASP 443 N 1.18 -0.74 -0.03 0.86 5.19 -0.85 -1.97 116.42 120.06 1jdy h ASP 443 Ca 0.29 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.78 1jdy h ASP 443 Cb 0.06 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1jdy h ASP 443 CO -0.04 -0.43 -0.11 0.25 -3.12 0.00 0.00 179.24 175.78 1jdy h LEU 444 N -0.66 -0.34 -0.31 1.55 5.85 -1.22 0.36 115.31 120.55 1jdy h LEU 444 Ca -0.03 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1jdy h LEU 444 Cb 0.57 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1jdy h LEU 444 CO -0.00 -0.16 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.46 1jdy h GLU 445 N -0.18 -0.10 0.09 1.25 5.08 -0.98 0.54 114.58 120.28 1jdy h GLU 445 Ca 0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1jdy h GLU 445 Cb 0.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1jdy h GLU 445 CO -0.13 -0.06 -0.26 0.00 -1.00 0.00 0.00 179.01 177.55 1jdy h ALA 446 N 1.14 -0.42 -0.90 3.43 0.00 -0.97 -0.19 119.26 121.34 1jdy h ALA 446 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jdy h ALA 446 Cb 0.34 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1jdy h ALA 446 CO -0.37 -0.79 0.60 1.25 0.00 0.00 0.00 179.25 179.93 1jdy h LEU 447 N -0.45 1.00 -0.65 0.00 5.85 -0.35 -2.73 115.31 117.97 1jdy h LEU 447 Ca 0.04 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1jdy h LEU 447 Cb 0.49 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1jdy h LEU 447 CO -0.17 0.70 -0.55 0.24 -0.34 0.00 0.00 178.44 178.32 1jdy h MET 448 N 1.16 0.36 -0.01 1.25 2.86 0.98 -3.23 114.93 118.29 1jdy h MET 448 Ca 0.35 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1jdy h MET 448 Cb -0.03 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jdy h MET 448 CO -0.10 0.81 0.00 1.19 1.06 0.00 0.00 176.91 179.87 1jdy n PHE 449 N -3.93 0.01 -1.62 -0.22 3.72 -0.17 -4.60 117.46 110.64 1jdy n PHE 449 Ca -0.02 -0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 1jdy n PHE 449 Cb 0.59 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.21 1jdy n PHE 449 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jdy s ASP 450 N -1.96 4.40 0.46 4.37 3.68 -1.19 -4.93 116.67 121.50 1jdy s ASP 450 Ca 0.43 2.59 0.32 0.00 2.13 0.00 0.00 52.55 58.01 1jdy s ASP 450 Cb 0.21 -2.61 1.51 0.00 -1.45 0.00 0.00 42.92 40.57 1jdy s ASP 450 CO 0.35 -2.14 1.95 -0.09 0.13 0.00 0.00 175.17 175.37 1jdy h ARG 451 N 0.28 0.00 0.00 4.34 1.12 -1.93 -2.19 114.38 116.01 1jdy h ARG 451 Ca -0.50 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1jdy h ARG 451 Cb 1.33 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.29 1jdy h ARG 451 CO 0.52 0.00 0.00 0.43 -3.11 0.00 0.00 179.97 177.81 1jdy n SER 452 N -2.72 1.89 -0.01 -3.80 7.64 -1.26 -4.74 113.62 110.63 1jdy n SER 452 Ca -0.00 -1.89 -0.06 0.00 1.01 0.00 0.00 58.87 57.93 1jdy n SER 452 Cb 0.17 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1jdy n SER 452 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1jdy h PHE 453 N 0.00 -0.09 -3.53 1.43 3.04 -1.66 -3.41 116.94 112.72 1jdy h PHE 453 Ca 0.00 -0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.38 1jdy h PHE 453 Cb 0.45 0.03 0.17 0.00 2.56 0.00 0.00 35.95 39.16 1jdy h PHE 453 CO 0.00 0.21 0.03 0.28 -2.02 0.00 0.00 178.31 176.82 1jdy n VAL 454 N -4.81 3.41 0.00 1.41 0.31 -1.25 -2.75 118.33 114.65 1jdy n VAL 454 Ca -0.04 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1jdy n VAL 454 Cb 0.17 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1jdy n VAL 454 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jdy n GLY 455 N 1.35 1.40 3.77 2.92 0.00 0.14 -4.93 105.19 109.84 1jdy n GLY 455 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1jdy n GLY 455 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jdy s LYS 456 N 0.00 4.23 -0.31 1.61 2.36 -1.11 -4.62 119.74 121.90 1jdy s LYS 456 Ca 0.00 2.03 -0.26 0.00 -2.55 0.00 0.00 55.97 55.19 1jdy s LYS 456 Cb 0.00 -2.90 0.01 0.00 -1.05 0.00 0.00 37.83 33.88 1jdy s LYS 456 CO 0.00 -0.23 0.92 -0.65 1.55 0.00 0.00 175.35 176.94 1jdy s GLN 457 N -1.99 4.00 -0.12 4.03 1.11 -1.26 -1.80 119.66 123.63 1jdy s GLN 457 Ca 0.52 0.79 -0.02 0.00 0.01 0.00 0.00 55.36 56.66 1jdy s GLN 457 Cb -0.35 -3.74 -0.03 0.00 -1.01 0.00 0.00 33.01 27.88 1jdy s GLN 457 CO 0.46 -0.79 -0.03 -0.06 0.01 0.00 0.00 175.29 174.88 1jdy s PHE 458 N 3.28 3.06 0.22 0.91 0.08 -0.10 -4.99 117.98 120.44 1jdy s PHE 458 Ca 0.38 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 57.19 1jdy s PHE 458 Cb -0.13 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1jdy s PHE 458 CO 0.14 0.20 0.56 -1.12 -0.10 0.00 0.00 175.22 174.90 1jdy s SER 459 N -0.26 -0.25 -0.27 1.36 0.01 -1.26 -0.18 113.70 112.85 1jdy s SER 459 Ca 0.05 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 56.49 1jdy s SER 459 Cb -0.13 0.61 0.17 0.00 0.21 0.00 0.00 66.02 66.89 1jdy s SER 459 CO 0.02 -1.11 1.30 0.00 0.41 0.00 0.00 173.24 173.86 1jdy s ALA 460 N -3.90 -2.12 0.00 1.44 0.00 -1.25 -5.02 121.76 110.92 1jdy s ALA 460 Ca 0.11 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1jdy s ALA 460 Cb -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1jdy s ALA 460 CO 0.00 -0.20 0.00 0.09 0.00 0.00 0.00 175.76 175.65 1jdy n ASN 461 N 1.13 0.00 -0.09 0.00 3.02 -1.26 -3.82 115.26 114.23 1jdy n ASN 461 Ca -0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.35 1jdy n ASN 461 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1jdy n ASN 461 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1jdy h ASP 462 N 0.00 0.86 -1.41 6.41 2.03 -2.03 -3.47 116.42 118.81 1jdy h ASP 462 Ca 0.00 -0.49 -0.56 0.00 -0.73 0.00 0.00 57.03 55.25 1jdy h ASP 462 Cb 0.00 -0.24 -0.07 0.00 -0.83 0.00 0.00 39.33 38.18 1jdy h ASP 462 CO 0.00 1.18 -0.45 -1.59 -1.03 0.00 0.00 179.24 177.35 1jdy s LYS 463 N -4.29 2.29 -0.17 4.15 -2.85 -1.25 -5.13 119.74 112.49 1jdy s LYS 463 Ca -0.12 -1.83 -0.03 0.00 -1.00 0.00 0.00 55.97 52.99 1jdy s LYS 463 Cb 0.09 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.79 1jdy s LYS 463 CO 0.86 -0.20 -0.04 0.54 0.10 0.00 0.00 175.35 176.60 1jdy s VAL 464 N -2.61 3.72 -0.74 1.79 0.11 -1.26 -3.83 120.40 117.59 1jdy s VAL 464 Ca 0.40 -0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 1jdy s VAL 464 Cb 0.02 -2.64 0.19 0.00 -1.53 0.00 0.00 36.38 32.42 1jdy s VAL 464 CO 0.23 0.48 0.68 -0.31 -3.33 0.00 0.00 175.10 172.85 1jdy s TYR 465 N 0.63 3.61 -0.43 1.54 2.02 0.75 -4.86 117.35 120.60 1jdy s TYR 465 Ca -0.03 -1.79 -0.23 0.00 -0.37 0.00 0.00 57.07 54.65 1jdy s TYR 465 Cb -0.15 -3.81 0.02 0.00 -0.40 0.00 0.00 41.96 37.63 1jdy s TYR 465 CO 0.02 -1.00 0.80 0.99 -1.57 0.00 0.00 175.55 174.79 1jdy s THR 466 N 0.59 4.66 -0.89 -0.71 2.01 -1.26 -0.92 115.64 119.12 1jdy s THR 466 Ca 0.13 0.57 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 1jdy s THR 466 Cb -0.16 -4.30 -0.19 0.00 0.01 0.00 0.00 72.50 67.86 1jdy s THR 466 CO -0.05 -0.65 2.20 0.52 -0.69 0.00 0.00 174.62 175.94 1jdy n VAL 467 N 6.07 0.00 0.22 3.82 0.31 -0.74 -0.38 118.33 127.63 1jdy n VAL 467 Ca 0.03 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.13 1jdy n VAL 467 Cb 0.48 -1.77 0.49 0.00 -0.91 0.00 0.00 33.84 32.14 1jdy n VAL 467 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1jdy h GLU 468 N 11.96 0.00 -2.39 5.55 4.81 -1.17 0.43 114.58 133.77 1jdy h GLU 468 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1jdy h GLU 468 Cb 1.01 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.22 1jdy h GLU 468 CO 1.04 0.25 0.18 0.21 -0.73 0.00 0.00 179.01 179.96 1jdy s LYS 469 N -4.30 1.13 -0.30 1.92 2.20 -0.73 -4.76 119.74 114.90 1jdy s LYS 469 Ca -0.03 -0.02 -0.10 0.00 -0.36 0.00 0.00 55.97 55.47 1jdy s LYS 469 Cb 0.14 0.53 0.15 0.00 -1.51 0.00 0.00 37.83 37.14 1jdy s LYS 469 CO 0.68 -0.41 0.74 0.00 -0.36 0.00 0.00 175.35 176.00 1jdy s ALA 470 N -2.12 -2.32 0.31 3.13 0.00 -1.26 -0.88 121.76 118.61 1jdy s ALA 470 Ca -0.07 2.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.99 1jdy s ALA 470 Cb -0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.17 1jdy s ALA 470 CO 0.02 -1.05 0.45 -0.40 0.00 0.00 0.00 175.76 174.78 1jdy n ASP 471 N 5.34 -1.27 -4.07 0.00 5.68 -1.04 -4.61 116.55 116.58 1jdy n ASP 471 Ca -0.09 -2.60 -0.33 0.00 -0.50 0.00 0.00 54.79 51.27 1jdy n ASP 471 Cb 0.50 2.32 -0.13 0.00 -1.14 0.00 0.00 41.12 42.67 1jdy n ASP 471 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1jdy s ASN 472 N -2.86 4.97 -0.18 -1.12 3.84 -1.26 -1.10 114.94 117.23 1jdy s ASN 472 Ca 0.24 -2.02 -0.37 0.00 0.21 0.00 0.00 52.86 50.92 1jdy s ASN 472 Cb -0.01 -1.71 -0.13 0.00 -0.55 0.00 0.00 41.25 38.84 1jdy s ASN 472 CO 0.17 -0.43 1.83 0.33 -2.79 0.00 0.00 177.10 176.20 1jdy n PHE 473 N 4.43 2.21 -4.17 0.43 7.35 -0.39 -4.54 117.46 122.78 1jdy n PHE 473 Ca -0.00 0.23 -0.17 0.00 -0.76 0.00 0.00 57.45 56.75 1jdy n PHE 473 Cb 0.42 -2.57 -0.12 0.00 0.35 0.00 0.00 39.48 37.56 1jdy n PHE 473 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1jdy s GLU 474 N 3.87 0.82 -0.05 -4.13 -1.05 -1.26 -0.11 118.70 116.79 1jdy s GLU 474 Ca 0.95 -0.99 0.05 0.00 -0.15 0.00 0.00 54.97 54.83 1jdy s GLU 474 Cb -0.86 -0.75 -0.01 0.00 -0.44 0.00 0.00 34.13 32.07 1jdy s GLU 474 CO 0.58 0.16 -0.19 -0.47 0.95 0.00 0.00 175.26 176.29 1jdy s TYR 475 N -1.51 1.90 -0.45 4.83 6.14 -0.17 -4.99 117.35 123.11 1jdy s TYR 475 Ca -0.01 -0.54 -0.09 0.00 0.64 0.00 0.00 57.07 57.07 1jdy s TYR 475 Cb -0.09 -1.27 0.10 0.00 0.42 0.00 0.00 41.96 41.13 1jdy s TYR 475 CO 0.02 -0.17 0.30 -1.01 0.64 0.00 0.00 175.55 175.33 1jdy s HIS 476 N -0.04 3.40 0.05 4.97 3.76 -1.26 -0.52 115.29 125.65 1jdy s HIS 476 Ca -0.03 -1.77 -0.30 0.00 -0.15 0.00 0.00 55.06 52.81 1jdy s HIS 476 Cb -0.12 -3.26 -0.09 0.00 1.11 0.00 0.00 32.58 30.22 1jdy s HIS 476 CO 0.02 -0.94 1.85 0.34 -0.85 0.00 0.00 174.74 175.17 1jdy s ASP 477 N 2.40 6.49 0.43 1.40 -1.08 0.33 -4.88 116.67 121.76 1jdy s ASP 477 Ca 0.05 2.61 0.30 0.00 -0.52 0.00 0.00 52.55 54.99 1jdy s ASP 477 Cb -0.25 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 39.96 1jdy s ASP 477 CO 0.00 -1.01 1.89 1.55 0.52 0.00 0.00 175.17 178.12 1jdy h PRO 478 N 9.69 0.00 0.00 4.34 0.13 -1.95 -3.06 132.00 141.16 1jdy h PRO 478 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jdy h PRO 478 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jdy h PRO 478 CO 0.94 0.00 -0.66 0.28 -0.23 0.00 0.00 178.00 178.33 1jdy n VAL 479 N -2.69 1.19 1.18 1.56 0.31 -1.26 -4.74 118.33 113.87 1jdy n VAL 479 Ca 0.01 0.23 0.13 0.00 -0.01 0.00 0.00 64.34 64.70 1jdy n VAL 479 Cb 0.24 -2.06 0.49 0.00 -0.91 0.00 0.00 33.84 31.60 1jdy n VAL 479 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1jdy n ASP 480 N -3.96 0.43 0.00 4.52 3.85 -1.26 -4.96 116.55 115.18 1jdy n ASP 480 Ca -0.09 -0.27 0.00 0.00 -0.71 0.00 0.00 54.79 53.72 1jdy n ASP 480 Cb 0.34 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 1jdy n ASP 480 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jdy n GLY 481 N 1.40 1.88 3.76 6.12 0.00 -1.15 -5.04 105.19 112.15 1jdy n GLY 481 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1jdy n GLY 481 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jdy s SER 482 N -2.58 5.35 -0.28 1.61 1.04 -1.26 -4.67 113.70 112.91 1jdy s SER 482 Ca 0.00 2.37 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1jdy s SER 482 Cb 0.00 -2.60 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1jdy s SER 482 CO 0.00 -1.48 -0.05 -0.69 0.98 0.00 0.00 173.24 172.00 1jdy s VAL 483 N -1.60 2.61 -0.55 5.02 1.01 -1.26 -0.51 120.40 125.12 1jdy s VAL 483 Ca 0.75 -1.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1jdy s VAL 483 Cb -0.30 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.62 1jdy s VAL 483 CO 0.33 -0.07 0.85 -0.44 0.00 0.00 0.00 175.10 175.77 1jdy s SER 484 N 1.18 6.28 0.65 3.32 0.01 0.33 -4.94 113.70 120.54 1jdy s SER 484 Ca -0.07 -0.60 -0.05 0.00 1.31 0.00 0.00 55.95 56.54 1jdy s SER 484 Cb -0.20 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1jdy s SER 484 CO -0.03 -1.15 0.95 -0.54 0.41 0.00 0.00 173.24 172.88 1jdy s LYS 485 N 3.55 2.41 -0.41 12.44 1.02 -1.26 -1.00 119.74 136.49 1jdy s LYS 485 Ca 0.25 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.85 1jdy s LYS 485 Cb -0.15 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1jdy s LYS 485 CO 0.16 -1.04 0.18 0.27 -0.92 0.00 0.00 175.35 174.00 1jdy n ASN 486 N -2.75 -1.03 0.22 2.83 6.94 -1.23 -4.86 115.26 115.37 1jdy n ASN 486 Ca 0.07 -0.42 0.11 0.00 -0.02 0.00 0.00 54.58 54.32 1jdy n ASN 486 Cb 0.60 -0.51 0.37 0.00 -2.36 0.00 0.00 39.78 37.88 1jdy n ASN 486 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1jdy h GLN 487 N 1.07 0.00 0.00 -3.83 1.08 -0.77 -3.48 115.11 109.18 1jdy h GLN 487 Ca -0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1jdy h GLN 487 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1jdy h GLN 487 CO 0.18 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.65 1jdy n GLY 488 N 0.52 1.98 3.67 3.46 0.00 -1.25 -4.88 105.19 108.69 1jdy n GLY 488 Ca 0.01 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1jdy n GLY 488 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdy s LEU 489 N 0.00 4.18 -0.03 0.99 1.43 0.21 -1.26 118.68 124.20 1jdy s LEU 489 Ca 0.00 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1jdy s LEU 489 Cb 0.00 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.22 1jdy s LEU 489 CO 0.00 -0.28 -0.04 0.00 0.23 0.00 0.00 176.35 176.26 1jdy s ARG 490 N 1.79 0.64 -0.26 1.70 1.70 -0.26 0.44 118.95 124.72 1jdy s ARG 490 Ca 0.33 -0.07 -0.10 0.00 -0.47 0.00 0.00 55.73 55.41 1jdy s ARG 490 Cb -0.16 -0.69 -0.05 0.00 -0.57 0.00 0.00 34.95 33.48 1jdy s ARG 490 CO 0.12 -0.06 0.15 -0.51 -1.08 0.00 0.00 175.30 173.92 1jdy s LEU 491 N 0.78 3.95 -0.22 -1.89 1.02 -0.36 -2.50 118.68 119.46 1jdy s LEU 491 Ca -0.10 0.00 -0.02 0.00 0.02 0.00 0.00 54.13 54.03 1jdy s LEU 491 Cb -0.13 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 44.01 1jdy s LEU 491 CO -0.00 0.00 -0.08 -0.63 0.02 0.00 0.00 176.35 175.67 1jdy s ILE 492 N 1.43 3.01 0.63 -0.59 1.01 -0.06 -1.71 121.20 124.91 1jdy s ILE 492 Ca 0.07 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1jdy s ILE 492 Cb -0.15 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1jdy s ILE 492 CO 0.07 0.39 0.92 -0.36 0.00 0.00 0.00 174.94 175.96 1jdy s PHE 493 N 1.41 3.07 0.14 3.97 0.08 -0.12 -0.77 117.98 125.77 1jdy s PHE 493 Ca 0.04 0.47 0.23 0.00 0.12 0.00 0.00 56.93 57.80 1jdy s PHE 493 Cb -0.15 -2.91 0.89 0.00 -0.57 0.00 0.00 43.02 40.29 1jdy s PHE 493 CO -0.05 -1.05 1.82 0.00 -0.10 0.00 0.00 175.22 175.84 1jdy h ALA 494 N -0.30 1.02 0.00 5.36 0.00 -1.03 -3.19 119.26 121.13 1jdy h ALA 494 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1jdy h ALA 494 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jdy h ALA 494 CO 0.59 0.31 0.00 0.38 0.00 0.00 0.00 179.25 180.53 1jdy h ASP 495 N 0.00 0.00 0.00 0.00 2.03 -1.89 -3.47 116.42 113.09 1jdy h ASP 495 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1jdy h ASP 495 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1jdy h ASP 495 CO 0.03 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1jdy n GLY 496 N 0.59 1.63 3.76 7.15 0.00 -1.21 -4.81 105.19 112.31 1jdy n GLY 496 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1jdy n GLY 496 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jdy s SER 497 N -1.94 5.24 0.04 1.61 0.01 -1.26 -4.56 113.70 112.84 1jdy s SER 497 Ca 0.00 2.24 -0.02 0.00 1.31 0.00 0.00 55.95 59.49 1jdy s SER 497 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1jdy s SER 497 CO 0.00 -1.55 -0.01 -0.13 0.41 0.00 0.00 173.24 171.96 1jdy s ARG 498 N -3.52 0.53 -0.07 12.44 0.52 0.65 -0.94 118.95 128.55 1jdy s ARG 498 Ca 0.74 -0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1jdy s ARG 498 Cb -0.26 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.42 1jdy s ARG 498 CO 0.34 -0.10 -0.03 0.42 0.02 0.00 0.00 175.30 175.95 1jdy s ILE 499 N -3.03 0.56 -0.08 1.52 1.01 -0.70 -1.61 121.20 118.87 1jdy s ILE 499 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1jdy s ILE 499 Cb 0.01 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1jdy s ILE 499 CO -0.07 0.28 -0.18 -0.63 0.00 0.00 0.00 174.94 174.34 1jdy s ILE 500 N 1.64 2.65 -0.17 2.92 1.09 -0.16 -1.22 121.20 127.96 1jdy s ILE 500 Ca 0.01 -0.84 -0.02 0.00 -1.10 0.00 0.00 60.65 58.69 1jdy s ILE 500 Cb -0.13 -2.04 -0.01 0.00 -1.06 0.00 0.00 42.46 39.22 1jdy s ILE 500 CO -0.04 0.56 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.92 1jdy s PHE 501 N -0.17 2.91 -0.14 3.97 0.08 0.17 -1.51 117.98 123.30 1jdy s PHE 501 Ca -0.02 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.33 1jdy s PHE 501 Cb -0.14 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1jdy s PHE 501 CO 0.03 -0.30 -0.00 1.03 -0.10 0.00 0.00 175.22 175.88 1jdy s ARG 502 N 0.77 0.85 -0.74 0.44 0.52 -0.31 -0.62 118.95 119.86 1jdy s ARG 502 Ca -0.03 -0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.75 1jdy s ARG 502 Cb -0.15 -1.66 0.13 0.00 0.52 0.00 0.00 34.95 33.80 1jdy s ARG 502 CO 0.02 -0.46 0.86 -1.17 0.02 0.00 0.00 175.30 174.57 1jdy s LEU 503 N 1.84 5.51 -1.34 2.53 2.96 -1.26 -1.00 118.68 127.92 1jdy s LEU 503 Ca 0.02 -1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 51.93 1jdy s LEU 503 Cb -0.15 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1jdy s LEU 503 CO -0.07 -1.01 2.12 -1.20 -1.32 0.00 0.00 176.35 174.87 1jdy n SER 504 N 6.00 3.82 -4.66 3.68 7.64 0.16 -4.86 113.62 125.40 1jdy n SER 504 Ca 0.05 -2.83 -0.43 0.00 1.01 0.00 0.00 58.87 56.68 1jdy n SER 504 Cb 0.45 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1jdy n SER 504 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jdy s GLY 505 N 3.65 1.67 -0.34 0.23 0.00 -1.26 -0.35 107.32 110.91 1jdy s GLY 505 Ca 0.50 0.46 -0.10 0.00 0.00 0.00 0.00 44.72 45.57 1jdy s GLY 505 CO -0.03 2.47 0.18 -0.51 0.00 0.00 0.00 173.10 175.21 1jdy s THR 506 N 3.42 4.59 -1.39 0.90 -4.23 0.23 -4.89 115.64 114.27 1jdy s THR 506 Ca 0.54 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1jdy s THR 506 Cb -0.22 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1jdy s THR 506 CO 0.15 -0.07 2.53 0.61 -0.54 0.00 0.00 174.62 177.30 1jdy n GLY 507 N 4.99 3.97 0.19 3.99 0.00 -1.26 -1.37 105.19 115.70 1jdy n GLY 507 Ca -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1jdy n GLY 507 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jdy n SER 508 N 4.74 0.00 0.00 1.61 7.64 -1.26 -5.03 113.62 121.32 1jdy n SER 508 Ca 0.63 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1jdy n SER 508 Cb 0.27 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1jdy n SER 508 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jdy n ALA 509 N -1.21 1.59 0.00 -0.43 0.00 -0.85 -5.16 120.51 114.46 1jdy n ALA 509 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jdy n ALA 509 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1jdy n ALA 509 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdy n GLY 510 N 2.04 -0.54 3.15 0.00 0.00 -0.47 -4.96 105.19 104.40 1jdy n GLY 510 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1jdy n GLY 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdy s ALA 511 N -1.00 -2.67 0.09 4.61 0.00 -1.02 0.75 121.76 122.52 1jdy s ALA 511 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 1jdy s ALA 511 Cb 0.00 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 1jdy s ALA 511 CO 0.00 -1.69 1.01 0.99 0.00 0.00 0.00 175.76 176.07 1jdy s THR 512 N 2.87 4.47 -0.31 0.00 2.01 0.52 -0.63 115.64 124.56 1jdy s THR 512 Ca 0.15 1.95 -0.11 0.00 0.31 0.00 0.00 61.69 63.99 1jdy s THR 512 Cb -0.10 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 1jdy s THR 512 CO -0.23 0.25 0.19 -0.63 -0.69 0.00 0.00 174.62 173.51 1jdy s ILE 513 N 0.31 4.93 -0.33 1.82 1.01 -0.54 0.39 121.20 128.80 1jdy s ILE 513 Ca 0.50 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 1jdy s ILE 513 Cb -0.24 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1jdy s ILE 513 CO 0.30 0.08 0.15 -0.13 0.00 0.00 0.00 174.94 175.34 1jdy s ARG 514 N 1.67 3.03 -0.31 2.79 0.52 -0.17 0.09 118.95 126.57 1jdy s ARG 514 Ca 0.06 -0.92 -0.10 0.00 -0.52 0.00 0.00 55.73 54.24 1jdy s ARG 514 Cb -0.17 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1jdy s ARG 514 CO 0.08 -0.54 0.17 -1.17 0.02 0.00 0.00 175.30 173.86 1jdy s LEU 515 N 1.54 4.18 -0.19 2.53 2.96 0.02 -1.16 118.68 128.56 1jdy s LEU 515 Ca 0.03 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1jdy s LEU 515 Cb -0.18 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1jdy s LEU 515 CO 0.05 -0.19 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.56 1jdy s TYR 516 N 1.65 3.01 -0.17 5.38 2.02 -0.57 -0.42 117.35 128.25 1jdy s TYR 516 Ca 0.05 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1jdy s TYR 516 Cb -0.17 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1jdy s TYR 516 CO 0.08 -0.26 -0.20 0.42 -1.57 0.00 0.00 175.55 174.01 1jdy s ILE 517 N 0.95 2.09 -0.27 2.71 -1.09 -1.01 -0.98 121.20 123.60 1jdy s ILE 517 Ca 0.01 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 1jdy s ILE 517 Cb -0.14 -1.86 0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1jdy s ILE 517 CO 0.01 0.54 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.60 1jdy s ASP 518 N 1.18 4.55 -0.22 3.58 3.68 -0.63 -2.50 116.67 126.30 1jdy s ASP 518 Ca 0.02 -1.09 0.01 0.00 2.13 0.00 0.00 52.55 53.62 1jdy s ASP 518 Cb -0.14 -1.67 0.05 0.00 -1.45 0.00 0.00 42.92 39.72 1jdy s ASP 518 CO -0.10 -0.19 -0.07 -0.94 0.13 0.00 0.00 175.17 174.00 1jdy s SER 519 N 1.27 3.64 -0.12 -0.34 1.04 0.81 -0.25 113.70 119.76 1jdy s SER 519 Ca -0.03 -1.05 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1jdy s SER 519 Cb -0.18 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 1jdy s SER 519 CO -0.03 -0.20 1.04 -0.47 0.98 0.00 0.00 173.24 174.56 1jdy s TYR 520 N 1.40 3.45 -0.09 5.02 5.04 -1.26 -1.08 117.35 129.82 1jdy s TYR 520 Ca -0.04 1.53 0.02 0.00 -2.44 0.00 0.00 57.07 56.14 1jdy s TYR 520 Cb -0.18 -3.23 0.01 0.00 0.35 0.00 0.00 41.96 38.92 1jdy s TYR 520 CO -0.07 -0.40 -0.16 -2.00 -1.34 0.00 0.00 175.55 171.59 1jdy s GLU 521 N 2.22 2.18 -0.01 4.97 2.56 -0.66 -4.77 118.70 125.19 1jdy s GLU 521 Ca 0.49 -0.56 0.11 0.00 0.00 0.00 0.00 54.97 55.01 1jdy s GLU 521 Cb -0.19 -1.79 -0.15 0.00 2.00 0.00 0.00 34.13 34.01 1jdy s GLU 521 CO 0.17 0.01 0.34 1.17 -0.56 0.00 0.00 175.26 176.39 1jdy n LYS 522 N 3.97 1.78 -1.87 4.30 3.00 -1.26 -1.01 118.16 127.06 1jdy n LYS 522 Ca -0.20 -0.05 -0.41 0.00 -0.00 0.00 0.00 58.31 57.64 1jdy n LYS 522 Cb 0.52 -1.15 -0.02 0.00 0.00 0.00 0.00 35.03 34.38 1jdy n LYS 522 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jdy s ASP 523 N -2.70 6.48 0.34 3.14 3.68 -1.26 -4.85 116.67 121.50 1jdy s ASP 523 Ca -0.00 2.85 0.03 0.00 2.13 0.00 0.00 52.55 57.56 1jdy s ASP 523 Cb 0.08 -2.63 0.64 0.00 -1.45 0.00 0.00 42.92 39.56 1jdy s ASP 523 CO 0.45 -0.83 1.95 -1.13 0.13 0.00 0.00 175.17 175.75 1jdy h ASN 524 N 4.78 0.76 0.00 -0.34 -1.24 -1.97 -2.67 115.58 114.91 1jdy h ASN 524 Ca -0.47 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 1jdy h ASN 524 Cb 1.22 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1jdy h ASN 524 CO 0.78 0.51 -0.00 0.00 -1.29 0.00 0.00 177.43 177.42 1jdy h ALA 525 N 1.57 -0.00 0.00 1.57 0.00 -2.03 -3.38 119.26 116.99 1jdy h ALA 525 Ca 0.32 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1jdy h ALA 525 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jdy h ALA 525 CO -0.10 -0.02 -0.22 0.87 0.00 0.00 0.00 179.25 179.78 1jdy h LYS 526 N -0.96 0.00 -1.04 0.00 1.57 -1.96 -3.35 116.57 110.82 1jdy h LYS 526 Ca -0.00 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.08 1jdy h LYS 526 Cb 0.91 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.09 1jdy h LYS 526 CO 0.00 0.22 0.62 0.82 -0.57 0.00 0.00 179.45 180.54 1jdy h ILE 527 N 0.00 0.40 -0.01 1.86 2.04 -1.65 -2.99 117.51 117.17 1jdy h ILE 527 Ca -0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1jdy h ILE 527 Cb 0.51 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1jdy h ILE 527 CO 0.03 0.07 -0.15 0.59 0.00 0.00 0.00 178.15 178.69 1jdy n ASN 528 N -4.88 0.75 -4.44 1.72 3.02 -1.26 -4.93 115.26 105.24 1jdy n ASN 528 Ca 0.29 -0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 1jdy n ASN 528 Cb 0.93 0.01 0.16 0.00 -0.61 0.00 0.00 39.78 40.27 1jdy n ASN 528 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jdy s GLN 529 N -2.43 0.62 0.29 3.52 1.11 -1.13 -5.00 119.66 116.65 1jdy s GLN 529 Ca 0.29 0.03 -0.30 0.00 0.01 0.00 0.00 55.36 55.38 1jdy s GLN 529 Cb 0.20 -1.80 -0.12 0.00 -1.01 0.00 0.00 33.01 30.28 1jdy s GLN 529 CO 0.48 -2.50 1.55 -3.47 0.01 0.00 0.00 175.29 171.36 1jdy n ASP 530 N -3.92 3.65 -0.14 5.90 2.03 -1.26 -4.96 116.55 117.85 1jdy n ASP 530 Ca 0.10 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.47 1jdy n ASP 530 Cb 0.59 -1.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1jdy n ASP 530 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jdy h PRO 531 N 4.57 0.63 -0.19 -0.67 0.13 -1.97 -2.70 132.00 131.80 1jdy h PRO 531 Ca -0.47 -0.12 -0.06 0.00 -0.87 0.00 0.00 66.00 64.48 1jdy h PRO 531 Cb 1.23 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1jdy h PRO 531 CO 0.78 0.60 -0.15 1.96 -0.23 0.00 0.00 178.00 180.95 1jdy h GLN 532 N 0.53 0.32 0.36 0.86 1.08 -1.96 0.22 115.11 116.51 1jdy h GLN 532 Ca 0.14 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1jdy h GLN 532 Cb 0.21 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1jdy h GLN 532 CO -0.01 0.47 -0.17 0.28 -0.95 0.00 0.00 178.83 178.45 1jdy h VAL 533 N 0.30 0.62 0.00 -0.54 2.07 -1.96 -0.45 116.25 116.29 1jdy h VAL 533 Ca 0.06 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1jdy h VAL 533 Cb 0.45 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jdy h VAL 533 CO 0.03 0.09 -0.13 0.24 0.02 0.00 0.00 177.57 177.81 1jdy h MET 534 N -0.77 0.00 0.00 1.57 2.86 -1.15 -2.82 114.93 114.62 1jdy h MET 534 Ca -0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1jdy h MET 534 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1jdy h MET 534 CO 0.08 0.13 -1.04 -0.07 1.06 0.00 0.00 176.91 177.07 1jdy h LEU 535 N 0.00 0.00 -0.76 1.22 3.38 -0.48 -3.40 115.31 115.27 1jdy h LEU 535 Ca -0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.13 1jdy h LEU 535 Cb 0.30 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 1jdy h LEU 535 CO 0.02 0.08 0.22 0.00 0.09 0.00 0.00 178.44 178.85 1jdy h ALA 536 N 1.92 1.03 -0.04 1.53 0.00 -0.80 -0.77 119.26 122.13 1jdy h ALA 536 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jdy h ALA 536 Cb 1.08 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1jdy h ALA 536 CO 0.01 -0.32 -0.20 -1.35 0.00 0.00 0.00 179.25 177.39 1jdy h PRO 537 N 0.31 -0.28 0.00 0.00 0.11 -1.78 -0.74 132.00 129.62 1jdy h PRO 537 Ca 0.43 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 1jdy h PRO 537 Cb 0.74 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1jdy h PRO 537 CO -0.50 -0.19 -0.05 -0.07 -0.21 0.00 0.00 178.00 176.98 1jdy h LEU 538 N -0.29 0.00 0.18 2.35 3.38 -1.68 -0.92 115.31 118.32 1jdy h LEU 538 Ca 0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1jdy h LEU 538 Cb 0.39 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jdy h LEU 538 CO -0.21 0.05 -1.21 0.40 0.09 0.00 0.00 178.44 177.56 1jdy h ILE 539 N 0.00 1.35 -0.42 1.22 2.04 -0.46 -2.62 117.51 118.62 1jdy h ILE 539 Ca -0.00 -2.56 -0.12 0.00 1.00 0.00 0.00 64.86 63.18 1jdy h ILE 539 Cb 0.48 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1jdy h ILE 539 CO 0.01 0.76 -0.22 0.77 0.00 0.00 0.00 178.15 179.47 1jdy h SER 540 N 0.04 0.92 -0.96 1.72 4.64 -0.95 -1.76 113.55 117.19 1jdy h SER 540 Ca -0.20 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 60.78 1jdy h SER 540 Cb 1.93 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 63.70 1jdy h SER 540 CO 0.23 1.13 0.62 0.40 -0.87 0.00 0.00 176.83 178.34 1jdy h ILE 541 N 0.71 1.07 -0.26 0.95 2.04 -1.24 0.69 117.51 121.47 1jdy h ILE 541 Ca 0.09 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1jdy h ILE 541 Cb 0.78 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1jdy h ILE 541 CO 0.06 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.35 1jdy h ALA 542 N 1.48 1.39 0.08 1.87 0.00 -1.03 0.08 119.26 123.14 1jdy h ALA 542 Ca 0.42 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 1jdy h ALA 542 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jdy h ALA 542 CO -0.16 0.42 -1.31 -0.07 0.00 0.00 0.00 179.25 178.13 1jdy h LEU 543 N 0.40 0.27 -0.72 0.00 -0.00 -0.67 -2.55 115.31 112.04 1jdy h LEU 543 Ca 0.08 -0.33 -0.04 0.00 -0.00 0.00 0.00 57.88 57.59 1jdy h LEU 543 Cb 0.38 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1jdy h LEU 543 CO 0.02 1.26 -0.19 0.50 -0.00 0.00 0.00 178.44 180.03 1jdy h LYS 544 N 0.05 0.00 0.01 1.13 3.11 -0.61 -0.39 116.57 119.86 1jdy h LYS 544 Ca -0.15 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.31 1jdy h LYS 544 Cb 1.94 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 33.10 1jdy h LYS 544 CO 0.16 0.19 -2.40 1.55 -2.81 0.00 0.00 179.45 176.14 1jdy n VAL 545 N -3.24 1.47 0.09 2.00 3.14 -0.01 -4.57 118.33 117.20 1jdy n VAL 545 Ca 0.01 -0.69 -0.04 0.00 -2.96 0.00 0.00 64.34 60.66 1jdy n VAL 545 Cb 0.49 -1.07 -0.05 0.00 -1.06 0.00 0.00 33.84 32.14 1jdy n VAL 545 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1jdy h SER 546 N 0.00 0.00 -5.72 6.55 4.64 -1.52 -3.47 113.55 114.04 1jdy h SER 546 Ca -0.55 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.45 1jdy h SER 546 Cb 2.04 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 64.28 1jdy h SER 546 CO -0.03 0.86 -0.87 0.00 -0.87 0.00 0.00 176.83 175.92 1jdy n GLN 547 N -3.38 -2.76 0.01 4.77 1.13 -0.16 -4.84 117.38 112.15 1jdy n GLN 547 Ca 0.00 0.75 -0.19 0.00 -1.94 0.00 0.00 57.00 55.62 1jdy n GLN 547 Cb 0.86 -5.37 -0.10 0.00 0.11 0.00 0.00 30.24 25.74 1jdy n GLN 547 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1jdy h LEU 548 N -1.44 0.84 -1.44 1.08 6.46 -1.87 -0.80 115.31 118.14 1jdy h LEU 548 Ca -0.62 -0.71 -0.04 0.00 -0.12 0.00 0.00 57.88 56.39 1jdy h LEU 548 Cb 1.33 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1jdy h LEU 548 CO 0.47 1.42 -0.19 -0.61 -0.62 0.00 0.00 178.44 178.91 1jdy h GLN 549 N 0.33 0.00 0.00 1.25 -0.00 -1.85 -2.37 115.11 112.47 1jdy h GLN 549 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1jdy h GLN 549 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.99 1jdy h GLN 549 CO 0.17 0.19 0.00 0.39 0.00 0.00 0.00 178.83 179.58 1jdy n GLU 550 N -3.49 0.00 0.23 1.69 4.71 -1.22 -2.58 120.64 119.97 1jdy n GLU 550 Ca -0.01 0.00 0.18 0.00 -0.01 0.00 0.00 57.16 57.32 1jdy n GLU 550 Cb 0.36 -0.10 0.82 0.00 -1.01 0.00 0.00 31.44 31.50 1jdy n GLU 550 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jdy h ARG 551 N 0.00 0.00 0.00 3.49 3.08 -1.27 -2.29 114.38 117.39 1jdy h ARG 551 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jdy h ARG 551 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jdy h ARG 551 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1jdy n THR 552 N -3.35 0.21 -0.72 2.04 -2.24 -0.93 -4.42 114.28 104.87 1jdy n THR 552 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1jdy n THR 552 Cb 0.43 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1jdy n THR 552 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdy n GLY 553 N -0.10 0.02 3.74 3.38 0.00 -0.86 -4.96 105.19 106.41 1jdy n GLY 553 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jdy n GLY 553 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdy s ARG 554 N -1.40 4.66 -0.14 1.61 1.81 -1.22 -4.86 118.95 119.40 1jdy s ARG 554 Ca 0.00 1.65 -0.13 0.00 -1.72 0.00 0.00 55.73 55.54 1jdy s ARG 554 Cb 0.00 -3.28 -0.04 0.00 -0.45 0.00 0.00 34.95 31.18 1jdy s ARG 554 CO 0.00 0.18 -0.25 0.25 -0.68 0.00 0.00 175.30 174.80 1jdy n THR 555 N 2.13 1.25 -4.30 0.02 -2.24 -1.26 -3.87 114.28 106.01 1jdy n THR 555 Ca 0.01 0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.77 1jdy n THR 555 Cb 0.47 -2.23 -0.08 0.00 -2.10 0.00 0.00 70.33 66.38 1jdy n THR 555 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jdy s ALA 556 N -2.88 3.08 0.39 6.98 0.00 -1.26 -5.03 121.76 123.05 1jdy s ALA 556 Ca -0.21 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 49.97 1jdy s ALA 556 Cb 0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 1jdy s ALA 556 CO 0.31 0.34 0.86 -1.25 0.00 0.00 0.00 175.76 176.02 1jdy s PRO 557 N -3.38 4.11 0.15 0.00 0.04 -1.26 -4.99 135.00 129.67 1jdy s PRO 557 Ca 0.29 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1jdy s PRO 557 Cb -0.07 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1jdy s PRO 557 CO 0.18 0.03 1.78 1.15 0.04 0.00 0.00 177.00 180.18 1jdy h THR 558 N 1.85 1.13 -3.96 1.26 2.02 -1.27 -3.45 112.91 110.49 1jdy h THR 558 Ca -0.48 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.16 1jdy h THR 558 Cb 1.18 0.60 -0.20 0.00 -1.74 0.00 0.00 68.15 67.99 1jdy h THR 558 CO 0.63 0.13 -0.72 -0.69 0.37 0.00 0.00 175.52 175.24 1jdy s VAL 559 N -6.00 0.48 -0.02 3.16 1.01 -0.99 -5.00 120.40 113.05 1jdy s VAL 559 Ca -0.13 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.66 1jdy s VAL 559 Cb 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1jdy s VAL 559 CO 0.73 -0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.52 1jdy s ILE 560 N -1.90 1.30 0.00 2.22 1.01 -1.26 -0.96 121.20 121.61 1jdy s ILE 560 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1jdy s ILE 560 Cb -0.06 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1jdy s ILE 560 CO -0.01 0.37 0.13 0.41 0.00 0.00 0.00 174.94 175.84