#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pan s LYS 3 N 0.00 4.53 0.37 0.00 -0.14 -1.26 -1.73 119.74 121.50 2pan s LYS 3 Ca 0.00 1.91 -0.19 0.00 -1.36 0.00 0.00 55.97 56.33 2pan s LYS 3 Cb 0.00 -3.19 -0.10 0.00 -1.68 0.00 0.00 37.83 32.86 2pan s LYS 3 CO 0.00 0.02 0.85 1.03 -0.76 0.00 0.00 175.35 176.49 2pan s ARG 5 N -1.01 4.17 0.21 1.68 0.52 -1.26 -4.98 118.95 118.28 2pan s ARG 5 Ca 0.49 0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 56.56 2pan s ARG 5 Cb -0.34 -2.37 0.27 0.00 0.52 0.00 0.00 34.95 33.03 2pan s ARG 5 CO 0.41 0.09 1.80 0.00 0.02 0.00 0.00 175.30 177.63 2pan h ALA 6 N 2.24 0.92 -0.01 2.13 0.00 -1.20 -1.40 119.26 121.94 2pan h ALA 6 Ca -0.48 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2pan h ALA 6 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2pan h ALA 6 CO 0.63 0.02 -0.21 -0.39 0.00 0.00 0.00 179.25 179.30 2pan h VAL 7 N 0.66 1.16 -0.40 0.00 -1.51 -1.79 -1.39 116.25 112.98 2pan h VAL 7 Ca 0.32 -0.74 -0.12 0.00 -1.23 0.00 0.00 66.70 64.92 2pan h VAL 7 Cb 0.24 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 2pan h VAL 7 CO -0.21 0.21 -0.24 0.44 -1.23 0.00 0.00 177.57 176.55 2pan h ASP 8 N 0.02 0.90 -0.52 4.19 3.32 -1.58 -2.87 116.42 119.87 2pan h ASP 8 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2pan h ASP 8 Cb 0.38 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2pan h ASP 8 CO 0.03 1.12 0.24 0.00 -1.72 0.00 0.00 179.24 178.92 2pan h ALA 9 N 0.80 1.38 0.00 3.45 0.00 -1.09 -3.18 119.26 120.64 2pan h ALA 9 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pan h ALA 9 Cb 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pan h ALA 9 CO 0.07 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2pan n ALA 10 N -2.45 1.49 0.00 0.00 0.00 -0.55 -2.12 120.51 116.87 2pan n ALA 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2pan n ALA 10 Cb 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2pan n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pan n TYR 12 N 1.01 0.00 0.07 0.00 4.02 -1.20 -1.28 117.16 119.77 2pan n TYR 12 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2pan n TYR 12 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 2pan n TYR 12 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pan h VAL 13 N 0.00 0.99 -0.97 -0.72 2.07 -1.75 -1.03 116.25 114.83 2pan h VAL 13 Ca 0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2pan h VAL 13 Cb 0.00 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2pan h VAL 13 CO 0.00 0.05 0.63 -0.07 0.02 0.00 0.00 177.57 178.20 2pan h LEU 14 N -0.18 1.04 0.13 2.57 3.38 -1.47 -1.19 115.31 119.59 2pan h LEU 14 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2pan h LEU 14 Cb 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pan h LEU 14 CO 0.02 0.70 -0.06 -0.08 0.09 0.00 0.00 178.44 179.10 2pan h GLU 15 N 1.19 -0.17 0.00 1.13 4.81 -1.74 -0.94 114.58 118.87 2pan h GLU 15 Ca 0.39 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2pan h GLU 15 Cb 0.05 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2pan h GLU 15 CO -0.13 0.13 0.00 0.87 -0.73 0.00 0.00 179.01 179.15 2pan h LYS 16 N -0.47 0.00 -0.32 1.92 1.57 -0.93 -1.94 116.57 116.40 2pan h LYS 16 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pan h LYS 16 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2pan h LYS 16 CO 0.03 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 177.00 2pan n GLU 17 N -2.92 2.44 0.00 3.15 4.07 -0.47 -4.94 120.64 121.97 2pan n GLU 17 Ca -0.01 -2.17 0.00 0.00 -0.06 0.00 0.00 57.16 54.92 2pan n GLU 17 Cb 0.17 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 2pan n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pan n GLY 18 N 1.47 0.52 3.71 8.31 0.00 -0.73 -5.03 105.19 113.44 2pan n GLY 18 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2pan n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 19 N -2.00 4.16 0.00 -0.61 1.09 -0.40 -4.89 121.20 118.55 2pan s ILE 19 Ca 0.00 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 2pan s ILE 19 Cb 0.00 -3.99 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 2pan s ILE 19 CO 0.00 0.10 0.19 0.35 -0.10 0.00 0.00 174.94 175.48 2pan n THR 20 N 4.05 0.00 -4.00 2.92 -2.24 -1.26 -4.49 114.28 109.26 2pan n THR 20 Ca 0.09 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 2pan n THR 20 Cb 0.47 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 2pan n THR 20 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pan s THR 21 N -0.32 0.21 -0.14 4.28 2.01 -1.26 -1.07 115.64 119.35 2pan s THR 21 Ca 0.00 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2pan s THR 21 Cb 0.00 -0.34 0.04 0.00 0.01 0.00 0.00 72.50 72.21 2pan s THR 21 CO 0.00 -0.47 0.37 0.00 -0.69 0.00 0.00 174.62 173.83 2pan s ALA 22 N -1.43 -0.92 -0.11 7.40 0.00 -0.19 -4.36 121.76 122.15 2pan s ALA 22 Ca -0.15 1.16 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2pan s ALA 22 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2pan s ALA 22 CO -0.01 -0.20 -0.10 -0.06 0.00 0.00 0.00 175.76 175.39 2pan s PHE 23 N 0.58 2.85 0.05 0.00 0.40 -0.23 -0.76 117.98 120.87 2pan s PHE 23 Ca -0.03 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.81 2pan s PHE 23 Cb -0.05 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.74 2pan s PHE 23 CO -0.03 0.01 0.68 0.41 0.70 0.00 0.00 175.22 176.99 2pan n GLY 24 N 3.01 0.64 2.67 4.36 0.00 -0.75 -0.76 105.19 114.36 2pan n GLY 24 Ca -0.18 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 2pan n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 25 N -2.17 0.05 0.84 1.61 1.01 -0.34 -1.88 120.40 119.52 2pan s VAL 25 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2pan s VAL 25 Cb -0.01 -0.48 0.10 0.00 0.00 0.00 0.00 36.38 35.99 2pan s VAL 25 CO 0.02 -0.03 1.12 -2.16 0.00 0.00 0.00 175.10 174.04 2pan s PRO 26 N 2.09 1.70 0.10 2.72 0.04 -1.26 -3.86 135.00 136.53 2pan s PRO 26 Ca 0.03 0.47 -0.26 0.00 0.04 0.00 0.00 61.00 61.28 2pan s PRO 26 Cb -0.14 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2pan s PRO 26 CO -0.06 -1.85 0.93 0.20 0.04 0.00 0.00 177.00 176.26 2pan s GLY 27 N -3.99 -0.32 0.23 0.56 0.00 -1.26 -4.79 107.32 97.75 2pan s GLY 27 Ca 0.62 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.71 2pan s GLY 27 CO 0.54 0.12 1.82 0.00 0.00 0.00 0.00 173.10 175.58 2pan h ALA 28 N 2.00 1.08 0.00 3.20 0.00 -2.00 -1.48 119.26 122.06 2pan h ALA 28 Ca -0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pan h ALA 28 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pan h ALA 28 CO 0.27 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2pan h ALA 29 N 1.40 1.00 -0.21 0.00 0.00 -1.96 -2.85 119.26 116.64 2pan h ALA 29 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pan h ALA 29 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pan h ALA 29 CO -0.20 0.00 0.00 1.51 0.00 0.00 0.00 179.25 180.56 2pan n ILE 30 N -3.06 0.94 -0.34 0.00 0.13 -0.75 -4.01 119.36 112.27 2pan n ILE 30 Ca -0.00 -0.97 -0.01 0.00 -1.10 0.00 0.00 62.75 60.66 2pan n ILE 30 Cb 0.24 0.54 0.14 0.00 -0.84 0.00 0.00 39.64 39.73 2pan n ILE 30 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 2pan h ASN 31 N 1.32 1.08 -0.96 9.51 -0.26 -1.05 -2.64 115.58 122.58 2pan h ASN 31 Ca 0.00 -0.03 0.08 0.00 -0.56 0.00 0.00 56.30 55.79 2pan h ASN 31 Cb 0.63 -0.27 -0.07 0.00 -1.06 0.00 0.00 38.32 37.55 2pan h ASN 31 CO 0.00 0.79 0.62 -0.65 -1.06 0.00 0.00 177.43 177.13 2pan h PRO 32 N 1.28 1.05 0.12 0.81 0.11 -1.85 0.66 132.00 134.18 2pan h PRO 32 Ca 0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 2pan h PRO 32 Cb -0.15 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.73 2pan h PRO 32 CO -0.07 0.69 -0.06 0.35 -0.21 0.00 0.00 178.00 178.70 2pan h PHE 33 N 1.08 -0.15 -0.75 0.65 3.57 -1.83 -1.42 116.94 118.08 2pan h PHE 33 Ca 0.43 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.96 2pan h PHE 33 Cb 0.24 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2pan h PHE 33 CO -0.00 -0.09 0.49 1.88 -2.23 0.00 0.00 178.31 178.36 2pan h TYR 34 N -0.16 0.86 -0.39 0.41 -1.99 -1.20 -2.18 116.97 112.31 2pan h TYR 34 Ca -0.02 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2pan h TYR 34 Cb 0.12 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 2pan h TYR 34 CO -0.07 0.49 0.16 1.03 -0.00 0.00 0.00 178.16 179.77 2pan h SER 35 N 0.88 0.54 0.00 3.88 0.87 -0.60 -1.96 113.55 117.15 2pan h SER 35 Ca 0.30 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2pan h SER 35 Cb 0.11 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2pan h SER 35 CO -0.09 0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 2pan n ALA 36 N -2.30 1.75 0.00 6.23 0.00 -0.56 -1.74 120.51 123.90 2pan n ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pan n ALA 36 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2pan n ALA 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pan n ARG 38 N 0.77 0.00 -0.24 0.00 0.63 -0.74 -1.32 116.66 115.76 2pan n ARG 38 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 2pan n ARG 38 Cb 0.14 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.20 2pan n ARG 38 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2pan h LYS 39 N 0.00 1.07 0.24 -0.14 3.64 -1.61 -3.24 116.57 116.52 2pan h LYS 39 Ca 0.00 -0.15 -0.33 0.00 -1.27 0.00 0.00 60.65 58.90 2pan h LYS 39 Cb 0.00 -0.19 0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2pan h LYS 39 CO 0.00 0.83 -1.48 1.25 -2.27 0.00 0.00 179.45 177.78 2pan h HIS 40 N 1.06 0.90 -0.95 1.91 2.76 -1.47 -3.51 115.15 115.86 2pan h HIS 40 Ca 0.26 -0.66 0.11 0.00 -2.20 0.00 0.00 60.37 57.88 2pan h HIS 40 Cb 0.12 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2pan h HIS 40 CO 0.01 1.54 -0.20 0.41 -1.30 0.00 0.00 177.93 178.39 2pan n GLY 41 N 1.71 -1.76 1.12 5.26 0.00 -1.23 -4.98 105.19 105.32 2pan n GLY 41 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2pan n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pan n GLY 42 N -2.42 1.24 3.25 -0.02 0.00 -1.26 -4.98 105.19 101.00 2pan n GLY 42 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pan n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 43 N -2.36 2.54 -0.26 -0.61 1.01 -1.26 -4.57 121.20 115.68 2pan s ILE 43 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 2pan s ILE 43 Cb 0.00 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 2pan s ILE 43 CO 0.00 0.53 0.85 -0.60 0.00 0.00 0.00 174.94 175.71 2pan s ARG 44 N 0.74 4.13 -0.21 2.79 3.52 -0.23 -4.93 118.95 124.76 2pan s ARG 44 Ca -0.07 0.89 -0.14 0.00 -0.13 0.00 0.00 55.73 56.28 2pan s ARG 44 Cb -0.16 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 2pan s ARG 44 CO 0.01 -0.59 0.32 -1.58 -0.81 0.00 0.00 175.30 172.65 2pan s HIS 45 N 2.94 3.36 -0.24 5.12 5.65 -1.26 -1.02 115.29 129.84 2pan s HIS 45 Ca 0.35 0.50 -0.09 0.00 0.25 0.00 0.00 55.06 56.07 2pan s HIS 45 Cb -0.15 -2.44 -0.04 0.00 -1.18 0.00 0.00 32.58 28.77 2pan s HIS 45 CO 0.09 0.03 0.13 0.42 -0.65 0.00 0.00 174.74 174.76 2pan s ILE 46 N 1.18 5.02 -0.29 0.89 -1.09 0.06 -4.99 121.20 121.99 2pan s ILE 46 Ca 0.15 0.06 -0.28 0.00 -2.23 0.00 0.00 60.65 58.35 2pan s ILE 46 Cb -0.14 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2pan s ILE 46 CO 0.07 0.34 1.03 -0.22 -1.23 0.00 0.00 174.94 174.92 2pan s LEU 47 N 1.27 4.00 0.70 2.97 2.96 -1.26 -1.82 118.68 127.50 2pan s LEU 47 Ca 0.06 1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 55.01 2pan s LEU 47 Cb -0.14 -3.49 0.05 0.00 0.50 0.00 0.00 46.19 43.11 2pan s LEU 47 CO 0.05 -0.78 1.03 0.00 -1.32 0.00 0.00 176.35 175.33 2pan s ALA 48 N 3.42 3.09 -0.18 5.97 0.00 -0.79 -4.84 121.76 128.43 2pan s ALA 48 Ca 0.43 -0.79 0.17 0.00 0.00 0.00 0.00 51.96 51.77 2pan s ALA 48 Cb -0.13 -2.69 0.37 0.00 0.00 0.00 0.00 23.12 20.66 2pan s ALA 48 CO 0.12 -1.25 1.25 0.54 0.00 0.00 0.00 175.76 176.42 2pan n ARG 49 N -2.93 2.10 -3.64 0.00 1.74 -1.26 -4.86 116.66 107.81 2pan n ARG 49 Ca 0.07 -2.60 -0.09 0.00 -0.77 0.00 0.00 57.85 54.46 2pan n ARG 49 Cb 0.60 -1.60 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 2pan n ARG 49 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pan s HIS 50 N -2.67 -0.52 0.24 -1.55 2.46 -1.26 -4.89 115.29 107.09 2pan s HIS 50 Ca 0.34 1.26 -0.07 0.00 0.47 0.00 0.00 55.06 57.06 2pan s HIS 50 Cb 0.28 0.35 0.27 0.00 -0.13 0.00 0.00 32.58 33.35 2pan s HIS 50 CO 0.06 -0.25 1.89 0.28 -2.47 0.00 0.00 174.74 174.24 2pan h VAL 51 N 3.73 1.16 -0.97 0.89 2.07 -1.91 -0.55 116.25 120.67 2pan h VAL 51 Ca -0.28 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 66.96 2pan h VAL 51 Cb 1.18 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2pan h VAL 51 CO 0.10 0.21 0.62 -0.08 0.02 0.00 0.00 177.57 178.44 2pan h GLU 52 N 1.13 0.94 -0.41 1.57 4.81 -1.92 -0.69 114.58 120.01 2pan h GLU 52 Ca 0.35 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2pan h GLU 52 Cb -0.02 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2pan h GLU 52 CO -0.11 0.62 0.26 0.78 -0.73 0.00 0.00 179.01 179.84 2pan h GLY 53 N 0.97 0.58 1.11 1.92 0.00 -1.48 -1.86 103.07 104.32 2pan h GLY 53 Ca 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2pan h GLY 53 CO -0.23 0.22 0.60 0.00 0.00 0.00 0.00 176.54 177.13 2pan h ALA 54 N 1.14 1.35 -0.31 3.60 0.00 -0.50 -2.88 119.26 121.66 2pan h ALA 54 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2pan h ALA 54 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2pan h ALA 54 CO -0.03 0.60 0.16 0.77 0.00 0.00 0.00 179.25 180.75 2pan h SER 55 N 1.22 0.39 0.00 0.00 0.02 -0.82 -2.36 113.55 112.01 2pan h SER 55 Ca 0.33 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2pan h SER 55 Cb -0.14 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 2pan h SER 55 CO -0.07 0.38 -0.01 1.41 -1.14 0.00 0.00 176.83 177.41 2pan n HIS 56 N -4.79 0.00 0.00 3.45 8.25 -0.73 -2.33 115.22 119.06 2pan n HIS 56 Ca -0.02 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 2pan n HIS 56 Cb 0.09 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.70 2pan n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pan n ALA 58 N 1.60 0.00 -0.08 -1.41 0.00 -0.89 -2.02 120.51 117.71 2pan n ALA 58 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2pan n ALA 58 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 2pan n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pan h GLU 59 N 0.00 0.39 -0.70 0.00 5.08 -1.76 -1.67 114.58 115.92 2pan h GLU 59 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2pan h GLU 59 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2pan h GLU 59 CO 0.00 0.32 0.40 0.78 -1.00 0.00 0.00 179.01 179.50 2pan h GLY 60 N 0.35 1.04 0.77 -3.84 0.00 -1.62 -1.34 103.07 98.43 2pan h GLY 60 Ca 0.10 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.02 2pan h GLY 60 CO -0.02 0.44 0.45 -1.82 0.00 0.00 0.00 176.54 175.59 2pan h TYR 61 N 0.96 0.84 0.13 5.60 3.20 -1.56 -1.67 116.97 124.47 2pan h TYR 61 Ca 0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2pan h TYR 61 Cb 0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2pan h TYR 61 CO -0.01 0.44 -0.06 1.15 -1.64 0.00 0.00 178.16 178.04 2pan h THR 62 N 0.85 0.99 0.00 1.81 2.02 -1.04 -3.23 112.91 114.32 2pan h THR 62 Ca 0.32 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2pan h THR 62 Cb 0.12 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2pan h THR 62 CO -0.15 0.13 0.00 0.03 0.37 0.00 0.00 175.52 175.89 2pan h ARG 63 N -0.43 0.00 -0.52 6.66 3.08 -1.02 -3.22 114.38 118.93 2pan h ARG 63 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2pan h ARG 63 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2pan h ARG 63 CO 0.03 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.85 2pan h ALA 64 N 2.04 0.71 -2.94 0.04 0.00 -1.32 -3.46 119.26 114.34 2pan h ALA 64 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 2pan h ALA 64 Cb 0.33 -0.19 -0.23 0.00 0.00 0.00 0.00 17.79 17.70 2pan h ALA 64 CO 0.00 0.59 -0.43 0.99 0.00 0.00 0.00 179.25 180.40 2pan s THR 65 N -4.89 0.03 0.20 0.00 2.01 -1.22 -4.90 115.64 106.88 2pan s THR 65 Ca -0.12 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 2pan s THR 65 Cb 0.12 -0.41 0.17 0.00 0.01 0.00 0.00 72.50 72.39 2pan s THR 65 CO 0.85 -0.16 1.66 0.00 -0.69 0.00 0.00 174.62 176.28 2pan h ALA 66 N 5.00 0.46 -0.01 7.40 0.00 -1.89 -1.66 119.26 128.56 2pan h ALA 66 Ca -0.28 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pan h ALA 66 Cb 1.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2pan h ALA 66 CO 0.38 -0.41 -0.02 0.41 0.00 0.00 0.00 179.25 179.61 2pan n GLY 67 N -1.35 -0.43 3.76 0.00 0.00 -1.26 -4.96 105.19 100.94 2pan n GLY 67 Ca 0.06 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2pan n GLY 67 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pan s ASN 68 N -2.06 7.00 -0.28 1.61 -0.87 -0.63 -5.02 114.94 114.69 2pan s ASN 68 Ca 0.40 2.44 0.01 0.00 -1.57 0.00 0.00 52.86 54.14 2pan s ASN 68 Cb 0.21 -2.63 0.08 0.00 -0.02 0.00 0.00 41.25 38.89 2pan s ASN 68 CO 0.37 -0.38 0.02 -0.63 -2.57 0.00 0.00 177.10 173.90 2pan s ILE 69 N -0.76 1.45 0.30 0.60 -1.09 -1.26 -4.58 121.20 115.86 2pan s ILE 69 Ca 0.49 -1.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.13 2pan s ILE 69 Cb -0.36 -1.92 -0.10 0.00 -1.58 0.00 0.00 42.46 38.50 2pan s ILE 69 CO 0.44 -0.39 1.26 -0.83 -1.23 0.00 0.00 174.94 174.18 2pan s GLY 70 N 1.37 2.93 -0.09 6.18 0.00 -1.25 -4.87 107.32 111.58 2pan s GLY 70 Ca 0.03 1.15 0.03 0.00 0.00 0.00 0.00 44.72 45.93 2pan s GLY 70 CO -0.12 1.84 -0.19 0.14 0.00 0.00 0.00 173.10 174.77 2pan s VAL 71 N -0.95 2.56 -0.15 1.40 1.01 -1.26 -1.31 120.40 121.70 2pan s VAL 71 Ca 0.49 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2pan s VAL 71 Cb -0.37 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2pan s VAL 71 CO 0.48 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.94 2pan s LEU 73 N 1.10 2.51 0.28 0.00 1.02 0.06 -0.59 118.68 123.06 2pan s LEU 73 Ca -0.01 -0.37 -0.11 0.00 0.02 0.00 0.00 54.13 53.65 2pan s LEU 73 Cb -0.14 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.54 2pan s LEU 73 CO -0.07 0.21 0.51 -0.83 0.02 0.00 0.00 176.35 176.19 2pan s GLY 74 N 0.07 0.70 0.00 -3.19 0.00 -0.61 -1.20 107.32 103.10 2pan s GLY 74 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2pan s GLY 74 CO 0.05 -0.66 0.00 -0.37 0.00 0.00 0.00 173.10 172.12 2pan n THR 75 N -0.43 0.00 -1.67 0.90 5.66 -1.25 -1.59 114.28 115.89 2pan n THR 75 Ca -0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.70 2pan n THR 75 Cb 0.62 -1.56 0.21 0.00 -1.55 0.00 0.00 70.33 68.05 2pan n THR 75 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2pan n SER 76 N -1.74 -0.45 0.00 1.09 3.41 -1.18 -3.48 113.62 111.26 2pan n SER 76 Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 2pan n SER 76 Cb 0.00 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2pan n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pan n GLY 77 N -3.71 4.00 0.14 5.00 0.00 -0.39 -3.00 105.19 107.23 2pan n GLY 77 Ca 0.16 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.38 2pan n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pan h PRO 78 N 0.00 0.00 -0.37 1.61 0.13 -1.89 -2.59 132.00 128.89 2pan h PRO 78 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2pan h PRO 78 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2pan h PRO 78 CO 0.00 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 177.88 2pan h ALA 79 N 2.25 0.48 -0.52 -0.56 0.00 -1.76 -1.84 119.26 117.32 2pan h ALA 79 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2pan h ALA 79 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pan h ALA 79 CO 0.00 0.12 0.01 0.78 0.00 0.00 0.00 179.25 180.16 2pan h GLY 80 N 0.44 0.94 2.00 0.00 0.00 -1.62 -2.59 103.07 102.23 2pan h GLY 80 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2pan h GLY 80 CO -0.00 0.59 0.00 -0.91 0.00 0.00 0.00 176.54 176.22 2pan h THR 81 N 0.81 0.00 -0.19 4.70 1.35 -1.47 -3.31 112.91 114.80 2pan h THR 81 Ca 0.15 -0.56 -0.18 0.00 -0.55 0.00 0.00 66.41 65.27 2pan h THR 81 Cb 0.47 1.50 -0.07 0.00 -1.73 0.00 0.00 68.15 68.32 2pan h THR 81 CO 0.02 0.00 -0.08 0.47 -0.25 0.00 0.00 175.52 175.68 2pan n ASP 82 N -2.75 5.56 0.00 5.36 8.00 -0.70 -4.73 116.55 127.29 2pan n ASP 82 Ca 0.03 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.91 2pan n ASP 82 Cb 0.36 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2pan n ASP 82 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pan n ILE 84 N 1.76 0.00 -0.37 0.53 2.08 -1.25 -3.76 119.36 118.36 2pan n ILE 84 Ca 0.29 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.60 2pan n ILE 84 Cb 0.71 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.75 2pan n ILE 84 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2pan h THR 85 N 0.00 1.17 -0.12 1.39 2.02 -1.94 -1.00 112.91 114.43 2pan h THR 85 Ca 0.00 -0.43 -0.22 0.00 0.77 0.00 0.00 66.41 66.53 2pan h THR 85 Cb 0.00 -0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.23 2pan h THR 85 CO 0.00 0.23 -0.80 0.00 0.37 0.00 0.00 175.52 175.32 2pan h ALA 86 N 1.42 0.26 -0.81 6.16 0.00 -1.94 -1.20 119.26 123.15 2pan h ALA 86 Ca 0.40 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2pan h ALA 86 Cb 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2pan h ALA 86 CO -0.12 0.65 0.51 -0.07 0.00 0.00 0.00 179.25 180.21 2pan h LEU 87 N 0.47 0.83 0.20 0.00 3.38 -1.80 0.98 115.31 119.37 2pan h LEU 87 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2pan h LEU 87 Cb 1.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2pan h LEU 87 CO 0.16 0.56 -0.10 0.22 0.09 0.00 0.00 178.44 179.37 2pan h TYR 88 N 0.97 -0.25 -0.55 1.13 3.20 -1.10 -0.83 116.97 119.53 2pan h TYR 88 Ca 0.33 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.26 2pan h TYR 88 Cb 0.06 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 2pan h TYR 88 CO -0.03 -0.14 0.25 1.03 -1.64 0.00 0.00 178.16 177.62 2pan h SER 89 N -0.30 0.31 -0.22 -2.11 0.87 -0.79 0.13 113.55 111.45 2pan h SER 89 Ca -0.03 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2pan h SER 89 Cb 0.23 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2pan h SER 89 CO 0.05 0.21 -0.08 0.00 -0.53 0.00 0.00 176.83 176.47 2pan h ALA 90 N 1.33 0.30 -0.06 6.23 0.00 -0.76 -2.66 119.26 123.65 2pan h ALA 90 Ca 0.26 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2pan h ALA 90 Cb 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2pan h ALA 90 CO -0.22 0.12 -0.21 0.77 0.00 0.00 0.00 179.25 179.71 2pan h SER 91 N 0.15 -0.63 -0.80 0.00 0.02 -0.87 -1.07 113.55 110.36 2pan h SER 91 Ca 0.05 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.20 2pan h SER 91 Cb 0.56 0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 2pan h SER 91 CO 0.03 -0.27 0.52 0.00 -1.14 0.00 0.00 176.83 175.97 2pan h ALA 92 N 0.63 1.79 -0.66 3.77 0.00 -0.67 -1.44 119.26 122.68 2pan h ALA 92 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pan h ALA 92 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pan h ALA 92 CO -0.24 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 2pan n ASP 93 N -4.51 4.33 -3.66 0.00 8.00 -1.01 -4.85 116.55 114.86 2pan n ASP 93 Ca 0.14 -2.28 -0.24 0.00 0.71 0.00 0.00 54.79 53.11 2pan n ASP 93 Cb 0.35 -0.54 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 2pan n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pan n SER 94 N 1.27 -5.27 -4.16 -2.24 7.64 -0.54 -5.02 113.62 105.30 2pan n SER 94 Ca 0.25 -0.62 -0.19 0.00 1.01 0.00 0.00 58.87 59.32 2pan n SER 94 Cb 0.77 -4.74 -0.12 0.00 -1.01 0.00 0.00 64.21 59.11 2pan n SER 94 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2pan s ILE 95 N -3.34 1.10 0.05 0.44 -5.25 -0.45 -4.20 121.20 109.56 2pan s ILE 95 Ca 0.51 -1.20 -0.12 0.00 -0.99 0.00 0.00 60.65 58.86 2pan s ILE 95 Cb -0.23 -1.04 -0.06 0.00 2.95 0.00 0.00 42.46 44.08 2pan s ILE 95 CO 0.76 -0.15 0.41 -2.16 -1.79 0.00 0.00 174.94 172.01 2pan s PRO 96 N -1.53 3.82 0.14 0.37 0.04 -1.26 -3.59 135.00 132.99 2pan s PRO 96 Ca -0.01 0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.35 2pan s PRO 96 Cb -0.09 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2pan s PRO 96 CO 0.02 0.60 -0.12 0.96 0.04 0.00 0.00 177.00 178.50 2pan s ILE 97 N -1.29 1.29 -0.31 0.56 -4.36 -1.26 -4.42 121.20 111.40 2pan s ILE 97 Ca 0.30 -1.89 -0.05 0.00 -0.26 0.00 0.00 60.65 58.75 2pan s ILE 97 Cb -0.15 -1.69 0.03 0.00 1.25 0.00 0.00 42.46 41.91 2pan s ILE 97 CO 0.16 -0.57 0.06 -0.22 0.24 0.00 0.00 174.94 174.62 2pan s LEU 98 N -2.81 4.03 -0.14 0.37 2.96 -0.43 -1.55 118.68 121.11 2pan s LEU 98 Ca 0.13 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 2pan s LEU 98 Cb -0.02 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2pan s LEU 98 CO 0.02 -0.27 0.27 0.00 -1.32 0.00 0.00 176.35 175.06 2pan s ILE 100 N 0.16 1.46 0.07 0.00 1.01 0.24 -0.16 121.20 123.99 2pan s ILE 100 Ca 0.16 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.32 2pan s ILE 100 Cb -0.13 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2pan s ILE 100 CO 0.04 0.44 -0.25 0.42 0.00 0.00 0.00 174.94 175.59 2pan s THR 101 N 1.34 2.32 0.89 2.92 -4.23 -0.24 -1.57 115.64 117.07 2pan s THR 101 Ca 0.01 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 2pan s THR 101 Cb -0.13 -1.96 0.13 0.00 1.34 0.00 0.00 72.50 71.87 2pan s THR 101 CO -0.07 0.27 1.12 -0.83 -0.54 0.00 0.00 174.62 174.58 2pan s GLY 102 N -1.54 1.59 -0.02 3.99 0.00 -0.62 -0.65 107.32 110.07 2pan s GLY 102 Ca 0.13 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.14 2pan s GLY 102 CO 0.04 0.11 0.74 1.62 0.00 0.00 0.00 173.10 175.61 2pan s GLN 103 N -5.21 1.00 0.82 2.90 2.00 -0.82 -3.12 119.66 117.22 2pan s GLN 103 Ca 0.63 0.03 -0.11 0.00 -2.00 0.00 0.00 55.36 53.91 2pan s GLN 103 Cb -0.15 0.47 0.09 0.00 0.80 0.00 0.00 33.01 34.22 2pan s GLN 103 CO 0.54 -0.35 1.13 0.00 -0.50 0.00 0.00 175.29 176.11 2pan s ALA 104 N -1.90 1.90 0.74 1.58 0.00 -1.26 -0.42 121.76 122.40 2pan s ALA 104 Ca -0.05 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 2pan s ALA 104 Cb -0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2pan s ALA 104 CO 0.02 -2.20 0.99 -2.30 0.00 0.00 0.00 175.76 172.27 2pan n PRO 105 N -3.67 0.44 -0.29 0.00 -0.02 -1.26 -4.04 135.00 126.16 2pan n PRO 105 Ca 0.11 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 2pan n PRO 105 Cb 0.52 -2.25 0.21 0.00 -0.02 0.00 0.00 33.50 31.97 2pan n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pan h ARG 106 N -0.38 1.08 0.00 -0.52 -0.00 -1.93 -1.95 114.38 110.67 2pan h ARG 106 Ca -0.47 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 58.94 2pan h ARG 106 Cb 1.33 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 31.05 2pan h ARG 106 CO 0.46 0.71 -0.00 0.00 0.00 0.00 0.00 179.97 181.14 2pan h ALA 107 N 1.48 1.09 -0.13 0.04 0.00 -2.04 -2.91 119.26 116.80 2pan h ALA 107 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2pan h ALA 107 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pan h ALA 107 CO -0.09 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.70 2pan n ARG 108 N -3.22 2.71 0.28 0.00 1.74 -0.75 -4.69 116.66 112.74 2pan n ARG 108 Ca -0.03 -1.65 0.15 0.00 -0.77 0.00 0.00 57.85 55.56 2pan n ARG 108 Cb 0.10 -1.10 0.83 0.00 -1.02 0.00 0.00 32.46 31.26 2pan n ARG 108 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pan h LEU 109 N 0.80 0.00 -0.62 0.55 3.38 -1.37 -3.00 115.31 115.06 2pan h LEU 109 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pan h LEU 109 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2pan h LEU 109 CO 0.00 0.07 -0.28 1.41 0.09 0.00 0.00 178.44 179.73 2pan n HIS 110 N -3.52 0.00 -2.37 1.13 8.25 -1.26 -4.85 115.22 112.60 2pan n HIS 110 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 2pan n HIS 110 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 2pan n HIS 110 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pan s LYS 111 N -1.56 3.78 -1.47 -0.41 -0.14 -1.13 -4.95 119.74 113.87 2pan s LYS 111 Ca 0.08 0.73 -0.11 0.00 -1.36 0.00 0.00 55.97 55.32 2pan s LYS 111 Cb 0.09 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 34.07 2pan s LYS 111 CO 0.31 -0.30 2.45 0.39 -0.76 0.00 0.00 175.35 177.44 2pan n GLU 112 N -1.89 3.49 -2.06 1.68 1.02 -1.26 -4.94 120.64 116.68 2pan n GLU 112 Ca 0.05 -2.72 -0.40 0.00 -0.02 0.00 0.00 57.16 54.07 2pan n GLU 112 Cb 0.54 -2.98 -0.01 0.00 -0.02 0.00 0.00 31.44 28.97 2pan n GLU 112 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pan s ASP 113 N 2.12 6.57 -0.15 1.62 3.68 -1.26 -4.84 116.67 124.42 2pan s ASP 113 Ca 0.55 2.73 -0.40 0.00 2.13 0.00 0.00 52.55 57.55 2pan s ASP 113 Cb 0.15 -2.65 -0.17 0.00 -1.45 0.00 0.00 42.92 38.80 2pan s ASP 113 CO -0.07 -0.68 1.48 0.33 0.13 0.00 0.00 175.17 176.37 2pan n PHE 114 N 0.55 1.61 -2.92 -5.34 7.35 -1.26 -1.28 117.46 116.16 2pan n PHE 114 Ca 0.01 0.75 -0.22 0.00 -0.76 0.00 0.00 57.45 57.23 2pan n PHE 114 Cb 0.42 -2.32 0.02 0.00 0.35 0.00 0.00 39.48 37.95 2pan n PHE 114 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2pan n GLN 115 N 3.60 -4.17 -3.72 -4.13 6.02 -1.26 -4.91 117.38 108.81 2pan n GLN 115 Ca 0.23 0.90 -0.37 0.00 -0.01 0.00 0.00 57.00 57.75 2pan n GLN 115 Cb 0.11 -5.71 -0.12 0.00 1.02 0.00 0.00 30.24 25.54 2pan n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan s ALA 116 N -3.13 3.19 0.08 -1.58 0.00 -0.41 -1.26 121.76 118.65 2pan s ALA 116 Ca 0.25 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2pan s ALA 116 Cb -0.11 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2pan s ALA 116 CO 0.31 -0.69 -0.10 0.54 0.00 0.00 0.00 175.76 175.82 2pan s VAL 117 N 1.60 0.83 -1.39 0.00 0.11 -1.26 -4.80 120.40 115.48 2pan s VAL 117 Ca 0.05 -1.48 -0.13 0.00 -2.93 0.00 0.00 61.98 57.50 2pan s VAL 117 Cb -0.16 -1.15 0.09 0.00 -1.53 0.00 0.00 36.38 33.62 2pan s VAL 117 CO 0.04 -0.50 2.07 -0.67 -3.33 0.00 0.00 175.10 172.71 2pan n ASP 118 N 0.83 4.36 0.20 3.54 2.03 -1.26 -4.73 116.55 121.53 2pan n ASP 118 Ca -0.18 -2.94 0.06 0.00 0.52 0.00 0.00 54.79 52.25 2pan n ASP 118 Cb 0.57 -1.60 0.53 0.00 -0.72 0.00 0.00 41.12 39.90 2pan n ASP 118 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2pan h ILE 119 N 4.02 1.08 -0.27 5.18 6.09 -1.97 -2.48 117.51 129.16 2pan h ILE 119 Ca 0.50 -0.35 0.06 0.00 -1.37 0.00 0.00 64.86 63.70 2pan h ILE 119 Cb 0.65 1.10 -0.06 0.00 0.47 0.00 0.00 36.82 38.99 2pan h ILE 119 CO 1.76 0.11 -0.13 -0.08 -3.07 0.00 0.00 178.15 176.74 2pan h GLU 120 N 0.08 -0.09 -0.33 2.19 4.81 -1.89 -0.71 114.58 118.64 2pan h GLU 120 Ca 0.02 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2pan h GLU 120 Cb 0.16 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2pan h GLU 120 CO 0.01 -0.06 -0.34 0.00 -0.73 0.00 0.00 179.01 177.88 2pan h ALA 121 N 1.12 0.77 -0.49 2.92 0.00 -1.80 -2.75 119.26 119.04 2pan h ALA 121 Ca 0.14 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2pan h ALA 121 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2pan h ALA 121 CO -0.33 0.65 -0.14 0.82 0.00 0.00 0.00 179.25 180.26 2pan h ILE 122 N 0.62 1.27 0.00 0.00 2.04 -1.25 -3.24 117.51 116.94 2pan h ILE 122 Ca 0.06 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2pan h ILE 122 Cb 0.88 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2pan h ILE 122 CO 0.08 0.44 -0.71 0.00 0.00 0.00 0.00 178.15 177.96 2pan h ALA 123 N 1.02 0.61 -0.66 1.87 0.00 -1.16 -3.40 119.26 117.54 2pan h ALA 123 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2pan h ALA 123 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 2pan h ALA 123 CO 0.05 0.00 -0.22 -0.22 0.00 0.00 0.00 179.25 178.86 2pan h LYS 124 N 0.00 -0.04 0.00 0.00 1.63 -1.51 -1.89 116.57 114.75 2pan h LYS 124 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2pan h LYS 124 Cb 0.90 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2pan h LYS 124 CO 0.00 -0.03 0.00 -2.30 -3.45 0.00 0.00 179.45 173.67 2pan n PRO 125 N -5.46 0.05 -1.39 1.90 -0.02 -1.26 -3.29 135.00 125.53 2pan n PRO 125 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2pan n PRO 125 Cb 0.35 -1.61 0.10 0.00 -0.02 0.00 0.00 33.50 32.32 2pan n PRO 125 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2pan n VAL 126 N -1.70 1.35 -3.68 -1.45 0.24 -0.72 -5.05 118.33 107.31 2pan n VAL 126 Ca 0.02 -2.54 -0.13 0.00 -2.04 0.00 0.00 64.34 59.65 2pan n VAL 126 Cb 0.15 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 2pan n VAL 126 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2pan s SER 127 N -2.92 -0.26 0.00 -1.34 1.04 -1.15 -4.04 113.70 105.03 2pan s SER 127 Ca 0.37 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 56.88 2pan s SER 127 Cb 0.38 0.41 0.64 0.00 0.10 0.00 0.00 66.02 67.55 2pan s SER 127 CO -0.09 -0.66 1.06 0.29 0.98 0.00 0.00 173.24 174.83 2pan n LYS 128 N 0.52 0.41 -3.22 4.02 5.02 -0.36 -4.89 118.16 119.65 2pan n LYS 128 Ca -0.18 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.14 2pan n LYS 128 Cb 0.60 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2pan n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pan s ALA 130 N -2.00 -3.26 -0.04 7.82 0.00 -1.26 -5.07 121.76 117.95 2pan s ALA 130 Ca 0.16 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.79 2pan s ALA 130 Cb 0.07 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2pan s ALA 130 CO 0.12 -1.16 0.10 0.54 0.00 0.00 0.00 175.76 175.37 2pan s VAL 131 N 2.50 -0.01 -0.24 0.00 0.11 -0.89 -4.86 120.40 117.01 2pan s VAL 131 Ca -0.02 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 2pan s VAL 131 Cb -0.05 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2pan s VAL 131 CO -0.14 0.01 0.54 -0.89 -3.33 0.00 0.00 175.10 171.30 2pan s THR 132 N 0.22 5.06 -0.19 5.04 2.01 -1.26 -0.97 115.64 125.55 2pan s THR 132 Ca -0.01 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 2pan s THR 132 Cb -0.02 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2pan s THR 132 CO -0.01 0.09 1.22 -0.69 -0.69 0.00 0.00 174.62 174.55 2pan s VAL 133 N 2.19 4.35 -0.84 3.82 1.01 -0.25 -4.91 120.40 125.77 2pan s VAL 133 Ca 0.23 1.62 0.23 0.00 0.00 0.00 0.00 61.98 64.06 2pan s VAL 133 Cb -0.16 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 2pan s VAL 133 CO 0.09 -0.18 1.11 0.54 0.00 0.00 0.00 175.10 176.66 2pan n ARG 134 N 6.62 0.12 -4.01 2.72 5.12 -1.26 -4.45 116.66 121.53 2pan n ARG 134 Ca 0.14 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.93 2pan n ARG 134 Cb 0.45 -1.54 -0.12 0.00 -1.16 0.00 0.00 32.46 30.09 2pan n ARG 134 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2pan s GLU 135 N -3.08 0.31 0.17 5.56 0.41 -1.26 -5.04 118.70 115.77 2pan s GLU 135 Ca 0.07 -0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 54.05 2pan s GLU 135 Cb 0.16 -0.11 0.11 0.00 -1.78 0.00 0.00 34.13 32.51 2pan s GLU 135 CO 0.79 0.02 1.73 0.00 -0.49 0.00 0.00 175.26 177.31 2pan h ALA 136 N 5.21 0.46 0.00 5.21 0.00 -1.91 -2.16 119.26 126.08 2pan h ALA 136 Ca -0.30 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pan h ALA 136 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2pan h ALA 136 CO 0.45 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2pan h ALA 137 N 1.30 1.00 0.00 0.00 0.00 -1.91 -1.90 119.26 117.75 2pan h ALA 137 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pan h ALA 137 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pan h ALA 137 CO -0.24 0.00 -0.19 1.28 0.00 0.00 0.00 179.25 180.10 2pan n LEU 138 N -2.88 0.63 0.08 0.00 4.77 -0.81 -4.29 117.00 114.50 2pan n LEU 138 Ca -0.01 0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2pan n LEU 138 Cb 0.17 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2pan n LEU 138 CO 0.21 -0.10 0.67 0.58 -1.33 0.00 0.00 177.39 177.42 2pan h VAL 139 N 0.00 0.36 0.00 4.08 2.07 -1.34 0.19 116.25 121.61 2pan h VAL 139 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2pan h VAL 139 Cb 0.68 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2pan h VAL 139 CO 0.00 0.00 -0.20 1.55 0.02 0.00 0.00 177.57 178.94 2pan h PRO 140 N -0.47 0.00 0.01 1.57 0.13 -1.79 -2.93 132.00 128.53 2pan h PRO 140 Ca 0.05 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.93 2pan h PRO 140 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 2pan h PRO 140 CO -0.22 0.20 -1.01 0.00 -0.23 0.00 0.00 178.00 176.74 2pan h ARG 141 N 0.00 0.52 -0.66 0.86 2.47 -1.54 -1.53 114.38 114.50 2pan h ARG 141 Ca -0.00 -0.58 -0.07 0.00 -1.26 0.00 0.00 59.98 58.07 2pan h ARG 141 Cb 0.40 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 2pan h ARG 141 CO 0.03 1.21 0.12 0.28 0.56 0.00 0.00 179.97 182.17 2pan h VAL 142 N 0.29 1.26 -0.46 2.04 2.07 -0.59 -0.52 116.25 120.34 2pan h VAL 142 Ca -0.11 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2pan h VAL 142 Cb 1.66 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2pan h VAL 142 CO 0.18 0.38 0.15 -0.07 0.02 0.00 0.00 177.57 178.23 2pan h LEU 143 N 1.01 0.66 -0.37 2.57 3.38 -1.53 0.15 115.31 121.18 2pan h LEU 143 Ca 0.20 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2pan h LEU 143 Cb 0.42 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2pan h LEU 143 CO 0.01 0.69 -0.04 -0.61 0.09 0.00 0.00 178.44 178.58 2pan h GLN 144 N 0.60 0.05 -0.27 1.13 4.15 -1.01 -1.68 115.11 118.07 2pan h GLN 144 Ca 0.15 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.48 2pan h GLN 144 Cb 0.26 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2pan h GLN 144 CO -0.01 0.03 -0.18 0.37 -1.93 0.00 0.00 178.83 177.12 2pan h GLN 145 N 0.05 0.48 -0.56 1.69 5.75 -0.88 -3.08 115.11 118.56 2pan h GLN 145 Ca 0.18 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2pan h GLN 145 Cb 0.27 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2pan h GLN 145 CO -0.34 0.65 0.26 0.00 -2.65 0.00 0.00 178.83 176.75 2pan h ALA 146 N 1.37 0.73 -0.02 3.38 0.00 0.17 -2.31 119.26 122.58 2pan h ALA 146 Ca 0.07 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2pan h ALA 146 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pan h ALA 146 CO 0.04 0.30 -0.48 0.74 0.00 0.00 0.00 179.25 179.85 2pan h PHE 147 N 0.77 0.06 0.05 0.00 0.04 -1.32 -2.80 116.94 113.74 2pan h PHE 147 Ca 0.19 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 2pan h PHE 147 Cb 0.14 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2pan h PHE 147 CO 0.00 0.52 -0.02 1.25 -0.60 0.00 0.00 178.31 179.46 2pan h HIS 148 N 0.04 -0.06 0.00 -0.55 2.76 -1.42 -2.74 115.15 113.18 2pan h HIS 148 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pan h HIS 148 Cb 0.87 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2pan h HIS 148 CO 0.00 0.06 0.00 1.28 -1.30 0.00 0.00 177.93 177.97 2pan n LEU 149 N -5.07 0.78 0.00 0.26 4.77 -0.89 -1.12 117.00 115.73 2pan n LEU 149 Ca -0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2pan n LEU 149 Cb 0.10 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2pan n LEU 149 CO 0.33 0.13 0.00 0.54 -1.33 0.00 0.00 177.39 177.07 2pan n ARG 151 N 0.98 0.00 -3.06 3.23 1.74 -1.04 -4.30 116.66 114.21 2pan n ARG 151 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2pan n ARG 151 Cb 0.12 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.55 2pan n ARG 151 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2pan s SER 152 N 0.00 6.33 0.90 0.55 0.01 -0.28 -4.80 113.70 116.42 2pan s SER 152 Ca 0.00 0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.99 2pan s SER 152 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2pan s SER 152 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2pan n GLY 153 N -1.74 2.81 3.62 3.44 0.00 -0.53 -3.69 105.19 109.10 2pan n GLY 153 Ca -0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2pan n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 154 N 0.00 3.91 0.56 1.61 3.52 -1.26 -4.95 118.95 122.35 2pan s ARG 154 Ca 0.00 0.96 -0.19 0.00 -0.13 0.00 0.00 55.73 56.37 2pan s ARG 154 Cb 0.00 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2pan s ARG 154 CO 0.00 -1.12 1.17 -2.14 -0.81 0.00 0.00 175.30 172.41 2pan s PRO 155 N 4.06 3.20 0.30 5.12 0.02 -1.24 -5.01 135.00 141.45 2pan s PRO 155 Ca 0.49 1.74 -0.19 0.00 0.02 0.00 0.00 61.00 63.06 2pan s PRO 155 Cb -0.12 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.44 2pan s PRO 155 CO 0.22 -1.00 0.79 0.20 -0.33 0.00 0.00 177.00 176.89 2pan s GLY 156 N -1.64 0.09 0.55 0.52 0.00 -1.26 -3.47 107.32 102.11 2pan s GLY 156 Ca 0.74 -0.44 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 2pan s GLY 156 CO 0.31 0.01 0.91 2.56 0.00 0.00 0.00 173.10 176.88 2pan s PRO 157 N -3.10 3.49 0.01 2.90 0.04 -1.24 -4.24 135.00 132.86 2pan s PRO 157 Ca 0.14 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.62 2pan s PRO 157 Cb -0.05 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 2pan s PRO 157 CO 0.08 -0.42 -0.10 0.08 0.04 0.00 0.00 177.00 176.68 2pan s VAL 158 N -2.96 0.77 -0.13 -0.36 1.01 -0.59 -1.23 120.40 116.91 2pan s VAL 158 Ca 0.51 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2pan s VAL 158 Cb -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2pan s VAL 158 CO 0.49 0.12 -0.15 -0.22 0.00 0.00 0.00 175.10 175.33 2pan s LEU 159 N -0.50 2.56 -0.18 3.92 0.20 -1.26 -1.08 118.68 122.34 2pan s LEU 159 Ca 0.02 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.44 2pan s LEU 159 Cb -0.05 -1.57 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 2pan s LEU 159 CO -0.00 0.14 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.38 2pan s VAL 160 N 0.46 2.67 -0.24 1.68 1.01 0.78 -2.08 120.40 124.67 2pan s VAL 160 Ca -0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2pan s VAL 160 Cb -0.16 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2pan s VAL 160 CO 0.05 0.50 -0.00 -0.62 0.00 0.00 0.00 175.10 175.03 2pan s ASP 161 N 1.17 4.60 -0.39 3.32 3.68 -0.14 -1.08 116.67 127.83 2pan s ASP 161 Ca 0.01 -0.43 -0.01 0.00 2.13 0.00 0.00 52.55 54.25 2pan s ASP 161 Cb -0.14 -1.80 0.10 0.00 -1.45 0.00 0.00 42.92 39.64 2pan s ASP 161 CO -0.05 -0.06 0.15 -0.76 0.13 0.00 0.00 175.17 174.58 2pan s LEU 162 N 1.50 5.05 0.37 -1.34 1.43 0.18 -1.09 118.68 124.78 2pan s LEU 162 Ca 0.05 -2.01 -0.28 0.00 -1.03 0.00 0.00 54.13 50.87 2pan s LEU 162 Cb -0.15 -1.78 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 2pan s LEU 162 CO -0.01 -0.49 1.38 -2.65 0.23 0.00 0.00 176.35 174.82 2pan n PRO 163 N 4.52 2.38 -0.20 1.29 -0.02 -1.26 -1.94 135.00 139.77 2pan n PRO 163 Ca -0.02 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2pan n PRO 163 Cb 0.42 -2.50 0.09 0.00 -0.02 0.00 0.00 33.50 31.49 2pan n PRO 163 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2pan h PHE 164 N 2.70 -0.07 0.00 6.00 3.57 -0.88 -0.24 116.94 128.02 2pan h PHE 164 Ca -0.48 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 2pan h PHE 164 Cb 1.26 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2pan h PHE 164 CO 0.52 -0.17 -0.31 0.38 -2.23 0.00 0.00 178.31 176.50 2pan h ASP 165 N 0.10 0.00 -0.35 0.41 2.03 -1.88 -2.78 116.42 113.96 2pan h ASP 165 Ca 0.31 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.47 2pan h ASP 165 Cb 0.49 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 2pan h ASP 165 CO -0.52 0.31 -0.33 0.58 -1.03 0.00 0.00 179.24 178.24 2pan h VAL 166 N 0.00 1.28 -0.33 4.15 2.07 -1.43 -2.92 116.25 119.07 2pan h VAL 166 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2pan h VAL 166 Cb 0.63 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2pan h VAL 166 CO 0.04 0.50 0.22 1.56 0.02 0.00 0.00 177.57 179.90 2pan h GLN 167 N 0.63 0.44 0.00 1.57 4.20 -1.09 -3.25 115.11 117.61 2pan h GLN 167 Ca 0.06 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pan h GLN 167 Cb 0.92 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2pan h GLN 167 CO 0.08 0.30 -0.36 1.33 -0.67 0.00 0.00 178.83 179.51 2pan n VAL 168 N -4.85 0.10 -2.27 -0.54 0.24 -1.09 -2.59 118.33 107.33 2pan n VAL 168 Ca -0.01 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 2pan n VAL 168 Cb 0.03 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.32 2pan n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pan s ALA 169 N -3.04 2.93 0.20 2.33 0.00 -1.10 -4.71 121.76 118.37 2pan s ALA 169 Ca 0.11 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2pan s ALA 169 Cb 0.17 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2pan s ALA 169 CO 0.65 -0.66 0.98 -1.21 0.00 0.00 0.00 175.76 175.52 2pan s GLU 170 N -2.78 4.76 0.19 0.00 0.41 -1.26 -1.61 118.70 118.41 2pan s GLU 170 Ca 0.65 1.54 0.03 0.00 -0.41 0.00 0.00 54.97 56.77 2pan s GLU 170 Cb -0.28 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 28.73 2pan s GLU 170 CO 0.33 0.34 -0.01 0.96 -0.49 0.00 0.00 175.26 176.39 2pan s ILE 171 N -0.71 0.86 -0.21 -1.63 -4.36 -1.26 -4.91 121.20 108.98 2pan s ILE 171 Ca 0.44 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.71 2pan s ILE 171 Cb -0.26 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 2pan s ILE 171 CO 0.33 -0.46 0.19 -0.70 0.24 0.00 0.00 174.94 174.54 2pan s GLU 172 N -3.88 4.15 -0.18 0.37 2.12 -1.26 -4.29 118.70 115.73 2pan s GLU 172 Ca 0.24 -0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.34 2pan s GLU 172 Cb 0.05 -3.48 0.07 0.00 0.26 0.00 0.00 34.13 31.04 2pan s GLU 172 CO 0.05 0.16 0.42 0.12 -0.54 0.00 0.00 175.26 175.47 2pan s PHE 173 N 0.76 -0.70 -0.44 5.30 5.36 -0.71 -5.02 117.98 122.54 2pan s PHE 173 Ca 0.10 1.41 -0.11 0.00 -0.96 0.00 0.00 56.93 57.37 2pan s PHE 173 Cb -0.13 0.29 0.08 0.00 -0.34 0.00 0.00 43.02 42.92 2pan s PHE 173 CO 0.03 -0.41 0.30 0.34 -1.46 0.00 0.00 175.22 174.02 2pan s ASP 174 N 1.97 5.78 0.43 6.13 3.68 -1.26 -4.68 116.67 128.72 2pan s ASP 174 Ca -0.06 -1.49 0.18 0.00 2.13 0.00 0.00 52.55 53.31 2pan s ASP 174 Cb -0.10 -2.04 0.98 0.00 -1.45 0.00 0.00 42.92 40.31 2pan s ASP 174 CO -0.13 -0.58 1.92 1.55 0.13 0.00 0.00 175.17 178.06 2pan h PRO 175 N 8.50 0.00 -1.95 4.34 0.13 -1.99 -3.20 132.00 137.83 2pan h PRO 175 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2pan h PRO 175 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2pan h PRO 175 CO 0.80 0.26 0.00 -0.25 -0.23 0.00 0.00 178.00 178.58 2pan n ASP 176 N -3.95 0.29 -1.74 1.44 8.00 -1.26 -4.87 116.55 114.46 2pan n ASP 176 Ca -0.02 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2pan n ASP 176 Cb 0.34 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2pan n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pan n TYR 178 N 1.34 -2.38 -3.99 1.24 9.36 -1.21 -5.19 117.16 116.31 2pan n TYR 178 Ca 0.00 1.29 -0.30 0.00 3.32 0.00 0.00 57.90 62.22 2pan n TYR 178 Cb 0.04 -2.04 -0.16 0.00 -0.63 0.00 0.00 39.34 36.54 2pan n TYR 178 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2pan s GLU 179 N -1.15 2.12 0.41 2.98 2.56 -1.26 -5.12 118.70 119.25 2pan s GLU 179 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 54.97 54.17 2pan s GLU 179 Cb 0.00 -2.05 -0.10 0.00 2.00 0.00 0.00 34.13 33.98 2pan s GLU 179 CO 0.00 -0.27 1.28 -2.30 -0.56 0.00 0.00 175.26 173.42 2pan n PRO 180 N 4.79 1.98 -2.08 4.30 -0.02 -1.26 -4.96 135.00 137.75 2pan n PRO 180 Ca -0.16 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 2pan n PRO 180 Cb 0.50 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 2pan n PRO 180 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pan s LEU 181 N -1.66 3.53 0.47 2.45 1.43 -1.26 -5.00 118.68 118.63 2pan s LEU 181 Ca 0.60 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.33 2pan s LEU 181 Cb -0.51 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.10 2pan s LEU 181 CO 0.59 -1.17 1.16 -2.16 0.23 0.00 0.00 176.35 175.00 2pan s PRO 182 N -3.97 3.73 -0.12 1.29 0.04 -1.26 -4.90 135.00 129.80 2pan s PRO 182 Ca 0.64 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 63.21 2pan s PRO 182 Cb -0.17 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 2pan s PRO 182 CO 0.35 -0.58 0.76 0.08 0.04 0.00 0.00 177.00 177.65 2pan s VAL 183 N -1.56 4.97 -0.12 -0.36 1.01 -1.26 -4.98 120.40 118.10 2pan s VAL 183 Ca 0.64 1.51 -0.23 0.00 0.00 0.00 0.00 61.98 63.90 2pan s VAL 183 Cb -0.28 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2pan s VAL 183 CO 0.34 0.13 0.71 -0.47 0.00 0.00 0.00 175.10 175.81 2pan s TYR 184 N 1.53 3.50 -0.13 5.22 5.04 -1.26 -5.02 117.35 126.23 2pan s TYR 184 Ca 0.37 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 56.12 2pan s TYR 184 Cb -0.17 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.36 2pan s TYR 184 CO 0.15 -0.03 0.28 0.15 -1.34 0.00 0.00 175.55 174.76 2pan s LYS 185 N 1.31 0.20 0.56 4.97 1.02 -1.26 -1.46 119.74 125.08 2pan s LYS 185 Ca 0.36 0.69 -0.18 0.00 0.02 0.00 0.00 55.97 56.85 2pan s LYS 185 Cb -0.17 -0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2pan s LYS 185 CO 0.15 -0.23 1.09 -1.25 -0.92 0.00 0.00 175.35 174.20 2pan s PRO 186 N 1.92 3.34 -0.01 -1.68 0.04 -1.26 -4.89 135.00 132.45 2pan s PRO 186 Ca -0.04 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2pan s PRO 186 Cb -0.11 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2pan s PRO 186 CO -0.09 -0.83 -0.12 0.00 0.04 0.00 0.00 177.00 176.00 2pan s ALA 187 N -2.05 0.98 0.70 8.56 0.00 -1.26 -0.59 121.76 128.10 2pan s ALA 187 Ca 0.69 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 2pan s ALA 187 Cb -0.20 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2pan s ALA 187 CO 0.30 0.23 1.10 0.00 0.00 0.00 0.00 175.76 177.39 2pan s ALA 188 N -0.21 2.41 0.24 0.00 0.00 -1.26 -4.88 121.76 118.06 2pan s ALA 188 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2pan s ALA 188 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2pan s ALA 188 CO -0.00 -1.42 0.42 -1.54 0.00 0.00 0.00 175.76 173.22 2pan s SER 189 N -2.90 6.36 0.00 0.00 1.04 -1.26 -4.95 113.70 111.99 2pan s SER 189 Ca 0.65 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2pan s SER 189 Cb -0.19 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2pan s SER 189 CO 0.47 -0.11 0.00 -1.14 0.98 0.00 0.00 173.24 173.44 2pan n ARG 190 N -1.03 0.00 0.00 4.02 0.63 -1.26 -2.31 116.66 116.71 2pan n ARG 190 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2pan n ARG 190 Cb 0.55 -0.97 0.00 0.00 0.45 0.00 0.00 32.46 32.48 2pan n ARG 190 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2pan n GLN 192 N 0.60 0.00 -0.16 -0.14 6.02 -1.26 -1.20 117.38 121.25 2pan n GLN 192 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2pan n GLN 192 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2pan n GLN 192 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2pan h ILE 193 N 0.00 1.27 -0.68 5.09 1.08 -1.86 -1.79 117.51 120.62 2pan h ILE 193 Ca 0.00 -1.39 0.06 0.00 -0.39 0.00 0.00 64.86 63.14 2pan h ILE 193 Cb 0.00 1.13 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 2pan h ILE 193 CO 0.00 0.48 0.38 -0.33 -0.69 0.00 0.00 178.15 177.99 2pan h GLU 194 N 0.86 0.68 -0.73 2.37 5.08 -1.42 -0.48 114.58 120.93 2pan h GLU 194 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2pan h GLU 194 Cb 0.80 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2pan h GLU 194 CO 0.07 0.45 0.41 -0.22 -1.00 0.00 0.00 179.01 178.72 2pan h LYS 195 N 0.70 1.00 -0.49 2.33 1.63 -1.76 0.49 116.57 120.47 2pan h LYS 195 Ca 0.31 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 2pan h LYS 195 Cb 0.20 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2pan h LYS 195 CO -0.19 0.74 0.20 0.00 -3.45 0.00 0.00 179.45 176.74 2pan h ALA 196 N 1.21 0.64 -0.25 5.00 0.00 -0.71 -3.02 119.26 122.13 2pan h ALA 196 Ca 0.26 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2pan h ALA 196 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pan h ALA 196 CO -0.04 0.25 -0.57 0.28 0.00 0.00 0.00 179.25 179.17 2pan h VAL 197 N 0.65 1.29 0.00 0.00 2.07 -0.95 -0.88 116.25 118.43 2pan h VAL 197 Ca 0.16 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2pan h VAL 197 Cb 0.20 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2pan h VAL 197 CO -0.01 0.57 0.00 -0.62 0.02 0.00 0.00 177.57 177.53 2pan n GLU 198 N -3.98 0.00 0.00 1.57 1.02 0.15 -1.41 120.64 117.98 2pan n GLU 198 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2pan n GLU 198 Cb 0.63 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 2pan n GLU 198 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2pan n LEU 200 N 0.56 0.00 0.21 -4.62 7.94 -0.34 -3.49 117.00 117.27 2pan n LEU 200 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2pan n LEU 200 Cb 0.00 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.42 2pan n LEU 200 CO 0.00 0.00 0.79 0.16 -1.11 0.00 0.00 177.39 177.23 2pan h ILE 201 N 0.00 0.90 -0.00 1.96 3.07 -1.52 -2.41 117.51 119.51 2pan h ILE 201 Ca 0.00 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2pan h ILE 201 Cb 0.00 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2pan h ILE 201 CO 0.00 0.28 -0.12 0.00 -1.05 0.00 0.00 178.15 177.26 2pan n GLN 202 N -3.74 0.53 -2.54 0.16 6.02 -1.23 -4.78 117.38 111.79 2pan n GLN 202 Ca -0.01 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 2pan n GLN 202 Cb 0.39 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 2pan n GLN 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan s ALA 203 N -2.59 3.34 0.06 -1.58 0.00 -0.91 -4.97 121.76 115.12 2pan s ALA 203 Ca 0.26 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 2pan s ALA 203 Cb 0.20 -3.36 -0.30 0.00 0.00 0.00 0.00 23.12 19.66 2pan s ALA 203 CO 0.50 -0.23 1.10 0.93 0.00 0.00 0.00 175.76 178.06 2pan h GLU 204 N 5.59 0.38 -2.04 0.00 5.08 -1.87 -3.41 114.58 118.30 2pan h GLU 204 Ca -0.43 -0.62 -0.51 0.00 -1.00 0.00 0.00 59.36 56.79 2pan h GLU 204 Cb 1.21 0.23 -0.40 0.00 0.50 0.00 0.00 28.75 30.29 2pan h GLU 204 CO 0.74 1.29 -1.10 0.54 -1.00 0.00 0.00 179.01 179.48 2pan n ARG 205 N -3.61 1.26 -2.56 2.33 1.74 -1.26 -4.92 116.66 109.63 2pan n ARG 205 Ca -0.11 -3.57 -0.33 0.00 -0.77 0.00 0.00 57.85 53.07 2pan n ARG 205 Cb 1.04 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 30.72 2pan n ARG 205 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pan s PRO 206 N -2.38 4.01 0.04 5.56 0.04 -1.26 -1.77 135.00 139.24 2pan s PRO 206 Ca 0.40 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2pan s PRO 206 Cb 0.31 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2pan s PRO 206 CO -0.09 -0.22 -0.12 0.14 0.04 0.00 0.00 177.00 176.74 2pan s VAL 207 N -2.37 0.95 -0.18 -0.36 -7.23 -1.26 -4.33 120.40 105.62 2pan s VAL 207 Ca 0.61 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 59.65 2pan s VAL 207 Cb -0.11 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2pan s VAL 207 CO 0.23 -0.09 0.30 -0.63 -0.31 0.00 0.00 175.10 174.60 2pan s ILE 208 N -0.95 5.28 -0.38 -0.62 1.01 -0.36 -0.55 121.20 124.64 2pan s ILE 208 Ca -0.01 0.54 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 2pan s ILE 208 Cb -0.08 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2pan s ILE 208 CO 0.01 0.34 0.21 -0.69 0.00 0.00 0.00 174.94 174.82 2pan s VAL 209 N 0.80 4.61 -0.31 2.92 1.01 -0.55 0.52 120.40 129.40 2pan s VAL 209 Ca 0.16 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 2pan s VAL 209 Cb -0.13 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2pan s VAL 209 CO 0.05 -0.24 0.26 0.00 0.00 0.00 0.00 175.10 175.17 2pan s ALA 210 N 1.56 3.52 0.55 5.51 0.00 -0.30 -1.47 121.76 131.13 2pan s ALA 210 Ca 0.02 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 50.89 2pan s ALA 210 Cb -0.19 -2.64 0.07 0.00 0.00 0.00 0.00 23.12 20.36 2pan s ALA 210 CO 0.07 -0.81 0.73 0.20 0.00 0.00 0.00 175.76 175.95 2pan s GLY 211 N 1.73 1.81 0.33 0.00 0.00 -0.28 -1.40 107.32 109.52 2pan s GLY 211 Ca 0.09 -2.02 0.23 0.00 0.00 0.00 0.00 44.72 43.02 2pan s GLY 211 CO 0.11 -1.68 1.70 -1.33 0.00 0.00 0.00 173.10 171.90 2pan h GLY 212 N 0.29 0.00 1.58 0.20 0.00 -1.84 -1.69 103.07 101.61 2pan h GLY 212 Ca -0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2pan h GLY 212 CO 0.43 0.00 0.03 -1.33 0.00 0.00 0.00 176.54 175.66 2pan h GLY 213 N 0.22 0.57 0.95 4.60 0.00 -1.11 0.46 103.07 108.78 2pan h GLY 213 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2pan h GLY 213 CO 0.00 0.31 0.11 -2.08 0.00 0.00 0.00 176.54 174.87 2pan h VAL 214 N 0.52 1.10 -0.57 4.60 2.07 -1.49 -0.76 116.25 121.71 2pan h VAL 214 Ca 0.11 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2pan h VAL 214 Cb 0.30 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2pan h VAL 214 CO 0.01 0.09 0.17 0.40 0.02 0.00 0.00 177.57 178.26 2pan h ILE 215 N 0.20 1.24 -0.96 4.57 2.04 -1.63 -1.12 117.51 121.85 2pan h ILE 215 Ca 0.07 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.15 2pan h ILE 215 Cb 0.05 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2pan h ILE 215 CO -0.01 0.31 0.63 -1.13 0.00 0.00 0.00 178.15 177.94 2pan h ASN 216 N 0.80 1.03 0.64 1.72 -0.73 -0.67 -1.56 115.58 116.81 2pan h ASN 216 Ca 0.18 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 2pan h ASN 216 Cb 0.29 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.65 2pan h ASN 216 CO -0.00 0.70 -0.02 0.00 -0.37 0.00 0.00 177.43 177.73 2pan n ALA 217 N -2.36 2.51 -3.19 1.57 0.00 -0.31 -4.93 120.51 113.79 2pan n ALA 217 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2pan n ALA 217 Cb 0.11 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.17 2pan n ALA 217 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pan n ASP 218 N -1.30 -2.51 -0.89 0.00 2.03 -0.59 -4.65 116.55 108.64 2pan n ASP 218 Ca 0.13 -0.49 0.03 0.00 0.52 0.00 0.00 54.79 54.97 2pan n ASP 218 Cb 0.27 -4.25 0.16 0.00 -0.72 0.00 0.00 41.12 36.58 2pan n ASP 218 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pan n ALA 219 N -3.68 3.54 -0.11 -1.67 0.00 -0.47 -4.82 120.51 113.30 2pan n ALA 219 Ca -0.20 -3.18 -0.11 0.00 0.00 0.00 0.00 53.44 49.95 2pan n ALA 219 Cb 0.63 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 2pan n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pan h ALA 220 N 1.12 0.43 -0.60 0.00 0.00 -1.84 -2.04 119.26 116.32 2pan h ALA 220 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pan h ALA 220 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2pan h ALA 220 CO 0.08 0.20 0.38 0.00 0.00 0.00 0.00 179.25 179.91 2pan h ALA 221 N 0.83 0.77 -0.33 0.00 0.00 -1.88 -1.84 119.26 116.81 2pan h ALA 221 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2pan h ALA 221 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2pan h ALA 221 CO 0.02 0.23 -0.18 -0.07 0.00 0.00 0.00 179.25 179.25 2pan h LEU 222 N 0.82 0.60 -0.00 0.00 3.38 -1.91 -1.06 115.31 117.13 2pan h LEU 222 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pan h LEU 222 Cb -0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2pan h LEU 222 CO -0.04 0.79 0.00 0.25 0.09 0.00 0.00 178.44 179.53 2pan h LEU 223 N 0.54 0.00 -0.58 1.67 5.85 -1.09 -0.81 115.31 120.89 2pan h LEU 223 Ca 0.09 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.65 2pan h LEU 223 Cb 0.62 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2pan h LEU 223 CO 0.04 0.24 0.24 -0.61 -0.34 0.00 0.00 178.44 178.01 2pan h GLN 224 N -0.24 0.42 -0.67 1.25 4.15 -1.26 -1.22 115.11 117.55 2pan h GLN 224 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2pan h GLN 224 Cb 0.24 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2pan h GLN 224 CO 0.00 0.28 0.38 0.37 -1.93 0.00 0.00 178.83 177.93 2pan h GLN 225 N 0.44 0.92 -0.58 1.69 4.15 -1.05 -0.46 115.11 120.22 2pan h GLN 225 Ca 0.28 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 2pan h GLN 225 Cb 0.31 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2pan h GLN 225 CO -0.26 0.67 0.17 0.35 -1.93 0.00 0.00 178.83 177.83 2pan h PHE 226 N 0.91 0.94 -0.50 3.99 3.57 -0.71 -0.78 116.94 124.36 2pan h PHE 226 Ca 0.24 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2pan h PHE 226 Cb 0.01 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2pan h PHE 226 CO -0.01 0.79 0.22 0.00 -2.23 0.00 0.00 178.31 177.08 2pan h ALA 227 N 1.04 0.65 -0.26 2.41 0.00 -1.01 -2.22 119.26 119.87 2pan h ALA 227 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pan h ALA 227 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pan h ALA 227 CO -0.00 0.24 0.16 0.93 0.00 0.00 0.00 179.25 180.57 2pan h GLU 228 N 0.66 0.35 -0.54 0.00 5.08 -0.86 0.31 114.58 119.58 2pan h GLU 228 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2pan h GLU 228 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2pan h GLU 228 CO -0.02 0.27 0.19 -0.07 -1.00 0.00 0.00 179.01 178.39 2pan h LEU 229 N 0.33 0.72 0.00 1.33 3.38 -1.05 -2.93 115.31 117.08 2pan h LEU 229 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pan h LEU 229 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2pan h LEU 229 CO -0.02 0.67 -0.84 0.35 0.09 0.00 0.00 178.44 178.69 2pan n THR 230 N -4.32 0.05 -3.54 0.22 -2.24 -0.84 -4.99 114.28 98.61 2pan n THR 230 Ca 0.04 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 2pan n THR 230 Cb 0.18 0.49 0.08 0.00 -2.10 0.00 0.00 70.33 68.98 2pan n THR 230 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pan n SER 231 N -1.64 -5.00 -4.39 3.42 2.88 0.10 -4.86 113.62 104.14 2pan n SER 231 Ca 0.04 -0.57 -0.35 0.00 -1.33 0.00 0.00 58.87 56.67 2pan n SER 231 Cb 0.36 -5.07 -0.13 0.00 -0.75 0.00 0.00 64.21 58.62 2pan n SER 231 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pan s VAL 232 N -3.33 3.59 0.52 2.46 1.01 -0.94 -4.79 120.40 118.93 2pan s VAL 232 Ca 0.40 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 2pan s VAL 232 Cb -0.18 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 2pan s VAL 232 CO 0.73 0.44 1.16 -2.65 0.00 0.00 0.00 175.10 174.78 2pan n PRO 233 N 4.31 1.42 -4.65 2.72 -0.02 -1.26 -4.73 135.00 132.78 2pan n PRO 233 Ca -0.18 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 2pan n PRO 233 Cb 0.52 -2.32 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2pan n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 234 N -1.34 3.40 -0.35 -1.45 1.01 0.99 -1.22 120.40 121.43 2pan s VAL 234 Ca 0.70 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2pan s VAL 234 Cb -0.45 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.56 2pan s VAL 234 CO 0.51 0.53 0.09 -0.63 0.00 0.00 0.00 175.10 175.60 2pan s ILE 235 N 0.14 3.14 0.33 2.22 1.01 0.18 -0.91 121.20 127.31 2pan s ILE 235 Ca -0.05 -1.67 -0.27 0.00 0.00 0.00 0.00 60.65 58.67 2pan s ILE 235 Cb -0.14 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 2pan s ILE 235 CO 0.04 -0.36 1.02 -2.16 0.00 0.00 0.00 174.94 173.48 2pan s PRO 236 N 1.21 4.48 0.98 2.79 0.04 -1.25 -1.15 135.00 142.09 2pan s PRO 236 Ca 0.01 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 2pan s PRO 236 Cb -0.21 -2.85 0.18 0.00 0.04 0.00 0.00 34.50 31.65 2pan s PRO 236 CO -0.02 0.14 1.09 0.99 0.04 0.00 0.00 177.00 179.24 2pan s THR 237 N -1.47 2.30 -0.49 1.26 2.01 -0.49 -4.48 115.64 114.28 2pan s THR 237 Ca 0.50 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.60 2pan s THR 237 Cb -0.24 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2pan s THR 237 CO 0.30 -0.13 0.00 -0.11 -0.69 0.00 0.00 174.62 173.99 2pan n LEU 238 N -4.17 0.00 0.00 4.42 7.94 -1.26 -0.85 117.00 123.08 2pan n LEU 238 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 2pan n LEU 238 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2pan n LEU 238 CO 0.56 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 2pan n GLY 240 N 0.61 0.00 3.69 -3.96 0.00 -1.26 -4.95 105.19 99.32 2pan n GLY 240 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2pan n GLY 240 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pan n TRP 241 N 0.00 2.15 0.00 1.61 -0.00 -0.03 -1.89 117.44 119.28 2pan n TRP 241 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 2pan n TRP 241 Cb 0.00 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 28.76 2pan n TRP 241 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2pan n GLY 242 N 4.09 1.86 0.16 5.87 0.00 -1.26 -4.59 105.19 111.32 2pan n GLY 242 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2pan n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s ILE 244 N -3.33 0.70 0.52 0.00 2.07 -1.26 -4.49 121.20 115.40 2pan s ILE 244 Ca 0.05 -0.30 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 2pan s ILE 244 Cb 0.10 -0.64 -0.06 0.00 0.13 0.00 0.00 42.46 41.99 2pan s ILE 244 CO 0.47 0.23 1.28 -2.84 -1.91 0.00 0.00 174.94 172.17 2pan s PRO 245 N 0.29 3.35 0.53 3.50 0.02 -1.26 -4.89 135.00 136.54 2pan s PRO 245 Ca -0.04 2.05 0.21 0.00 0.02 0.00 0.00 61.00 63.24 2pan s PRO 245 Cb -0.09 -2.30 1.41 0.00 0.02 0.00 0.00 34.50 33.55 2pan s PRO 245 CO 0.00 -0.96 2.14 -0.44 -0.33 0.00 0.00 177.00 177.42 2pan h ASP 246 N 1.64 0.00 -0.12 2.53 5.19 -1.79 -1.73 116.42 122.15 2pan h ASP 246 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2pan h ASP 246 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2pan h ASP 246 CO 0.58 0.05 0.00 -0.90 -3.12 0.00 0.00 179.24 175.85 2pan n ASP 247 N -4.19 1.56 -4.76 6.45 5.75 -1.26 -4.89 116.55 115.21 2pan n ASP 247 Ca -0.03 -1.63 -0.38 0.00 -0.01 0.00 0.00 54.79 52.74 2pan n ASP 247 Cb 0.13 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.16 2pan n ASP 247 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2pan s HIS 248 N -1.86 2.65 0.40 2.11 2.46 -0.65 -4.93 115.29 115.47 2pan s HIS 248 Ca 0.34 1.44 0.24 0.00 0.47 0.00 0.00 55.06 57.56 2pan s HIS 248 Cb 0.18 -3.61 1.31 0.00 -0.13 0.00 0.00 32.58 30.34 2pan s HIS 248 CO 0.28 -2.16 2.03 1.05 -2.47 0.00 0.00 174.74 173.47 2pan h GLU 249 N 2.03 0.00 -4.40 2.88 4.11 -1.90 -3.46 114.58 113.83 2pan h GLU 249 Ca -0.50 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.19 2pan h GLU 249 Cb 1.26 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.30 2pan h GLU 249 CO 0.60 0.15 0.49 -0.51 0.07 0.00 0.00 179.01 179.81 2pan s LEU 250 N -7.51 5.91 0.00 3.06 1.43 -1.26 -4.92 118.68 115.40 2pan s LEU 250 Ca -0.03 -2.44 0.00 0.00 -1.03 0.00 0.00 54.13 50.63 2pan s LEU 250 Cb 0.13 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2pan s LEU 250 CO 0.61 -0.79 0.00 0.00 0.23 0.00 0.00 176.35 176.40 2pan n ALA 252 N 5.16 0.39 0.00 4.21 0.00 -0.09 -0.01 120.51 130.17 2pan n ALA 252 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2pan n ALA 252 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2pan n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 253 N 0.00 0.89 3.60 0.00 0.00 -1.26 -3.85 105.19 104.57 2pan n GLY 253 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2pan n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 255 N 0.00 0.00 -5.00 1.61 1.01 -1.26 -3.87 120.40 112.89 2pan s VAL 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pan s VAL 255 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2pan s VAL 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2pan n GLY 256 N 1.63 0.19 0.09 4.51 0.00 -1.24 -4.66 105.19 105.71 2pan n GLY 256 Ca -0.13 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.32 2pan n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pan n LEU 257 N 0.00 0.66 0.05 0.99 4.77 0.38 -4.74 117.00 119.11 2pan n LEU 257 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2pan n LEU 257 Cb 0.00 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pan n LEU 257 CO 0.00 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.16 2pan n GLN 258 N -2.75 0.00 -2.09 3.23 6.02 -1.26 -1.86 117.38 118.67 2pan n GLN 258 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.47 2pan n GLN 258 Cb 0.78 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.98 2pan n GLN 258 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2pan n THR 259 N -2.91 3.95 -4.03 5.09 -2.24 -1.26 -4.88 114.28 108.00 2pan n THR 259 Ca 0.00 -3.79 -0.10 0.00 -2.27 0.00 0.00 64.05 57.89 2pan n THR 259 Cb 0.00 -2.47 -0.07 0.00 -2.10 0.00 0.00 70.33 65.69 2pan n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pan s ALA 260 N 1.71 0.11 0.19 6.98 0.00 -1.26 -4.60 121.76 124.89 2pan s ALA 260 Ca 0.43 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2pan s ALA 260 Cb 0.11 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 2pan s ALA 260 CO -0.04 -0.76 0.05 -1.01 0.00 0.00 0.00 175.76 174.01 2pan s HIS 261 N -4.04 2.93 0.20 0.00 3.76 -1.26 -4.75 115.29 112.13 2pan s HIS 261 Ca 0.25 -0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.96 2pan s HIS 261 Cb 0.02 -1.40 0.12 0.00 1.11 0.00 0.00 32.58 32.43 2pan s HIS 261 CO 0.08 0.53 1.72 0.00 -0.85 0.00 0.00 174.74 176.22 2pan h ARG 262 N 2.46 1.15 -0.40 1.40 3.08 -1.97 -2.30 114.38 117.80 2pan h ARG 262 Ca -0.47 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.17 2pan h ARG 262 Cb 1.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2pan h ARG 262 CO 0.60 1.00 -0.29 0.10 -1.07 0.00 0.00 179.97 180.31 2pan h TYR 263 N 1.09 1.00 0.04 3.04 -0.00 -1.84 -2.36 116.97 117.94 2pan h TYR 263 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 58.73 58.72 2pan h TYR 263 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 36.73 36.83 2pan h TYR 263 CO 0.03 1.04 -0.19 0.78 -0.00 0.00 0.00 178.16 179.83 2pan h GLY 264 N 0.90 -0.28 1.16 0.10 0.00 -1.63 -0.51 103.07 102.81 2pan h GLY 264 Ca 0.08 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2pan h GLY 264 CO 0.07 -0.17 0.48 3.43 0.00 0.00 0.00 176.54 180.35 2pan h ASN 265 N -0.32 0.98 -0.23 0.19 4.21 -1.40 -1.81 115.58 117.20 2pan h ASN 265 Ca 0.05 -0.06 -0.17 0.00 1.21 0.00 0.00 56.30 57.32 2pan h ASN 265 Cb 0.37 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2pan h ASN 265 CO -0.15 0.76 -0.51 0.00 -1.29 0.00 0.00 177.43 176.24 2pan h ALA 266 N 1.40 0.55 -0.49 -0.83 0.00 -1.22 -1.52 119.26 117.15 2pan h ALA 266 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2pan h ALA 266 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2pan h ALA 266 CO -0.05 0.68 0.18 1.15 0.00 0.00 0.00 179.25 181.21 2pan h THR 267 N 0.64 1.22 -0.28 0.00 2.02 -0.89 -1.15 112.91 114.47 2pan h THR 267 Ca 0.02 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2pan h THR 267 Cb 1.10 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2pan h THR 267 CO 0.11 0.26 0.12 0.25 0.37 0.00 0.00 175.52 176.63 2pan h LEU 268 N 0.65 0.38 -2.13 2.58 5.85 -1.24 -1.07 115.31 120.33 2pan h LEU 268 Ca 0.16 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2pan h LEU 268 Cb 0.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2pan h LEU 268 CO -0.01 0.42 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.37 2pan h LEU 269 N 0.30 0.00 0.00 2.25 3.38 -1.16 -1.98 115.31 118.10 2pan h LEU 269 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pan h LEU 269 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2pan h LEU 269 CO -0.01 0.07 -0.63 0.00 0.09 0.00 0.00 178.44 177.96 2pan h ALA 270 N 1.93 0.68 -2.32 1.53 0.00 -0.78 -3.48 119.26 116.81 2pan h ALA 270 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 2pan h ALA 270 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.14 2pan h ALA 270 CO 0.01 0.00 0.32 -1.54 0.00 0.00 0.00 179.25 178.04 2pan s SER 271 N -5.55 4.53 -0.33 0.00 1.04 -0.44 -4.97 113.70 107.98 2pan s SER 271 Ca 0.03 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.36 2pan s SER 271 Cb 0.08 -2.52 0.48 0.00 0.10 0.00 0.00 66.02 64.16 2pan s SER 271 CO 0.74 -2.02 1.42 -0.90 0.98 0.00 0.00 173.24 173.47 2pan n ASP 272 N -3.47 3.83 -3.62 7.02 5.75 -0.73 -4.83 116.55 120.50 2pan n ASP 272 Ca 0.09 -3.80 -0.20 0.00 -0.01 0.00 0.00 54.79 50.88 2pan n ASP 272 Cb 0.53 -0.57 -0.16 0.00 -1.03 0.00 0.00 41.12 39.89 2pan n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pan s VAL 274 N -3.89 -0.21 -0.78 2.12 1.01 -0.24 -1.85 120.40 116.56 2pan s VAL 274 Ca 0.49 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 2pan s VAL 274 Cb 0.42 -0.42 0.19 0.00 0.00 0.00 0.00 36.38 36.57 2pan s VAL 274 CO 0.00 -0.02 0.75 0.12 0.00 0.00 0.00 175.10 175.96 2pan s PHE 275 N 2.25 3.59 -0.28 5.22 5.36 0.29 -1.17 117.98 133.24 2pan s PHE 275 Ca 0.04 -1.78 -0.24 0.00 -0.96 0.00 0.00 56.93 53.99 2pan s PHE 275 Cb -0.14 -3.87 -0.00 0.00 -0.34 0.00 0.00 43.02 38.67 2pan s PHE 275 CO -0.07 -1.05 0.80 0.20 -1.46 0.00 0.00 175.22 173.63 2pan s GLY 276 N 2.59 1.73 -0.22 13.12 0.00 0.92 -1.49 107.32 123.98 2pan s GLY 276 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2pan s GLY 276 CO -0.06 1.77 -0.08 -0.42 0.00 0.00 0.00 173.10 174.31 2pan s ILE 277 N 2.91 1.59 -0.67 0.90 1.01 -0.54 -0.22 121.20 126.18 2pan s ILE 277 Ca 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2pan s ILE 277 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2pan s ILE 277 CO 0.10 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2pan n GLY 278 N 4.67 0.84 3.77 6.18 0.00 -0.28 -1.12 105.19 119.25 2pan n GLY 278 Ca -0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 2pan n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan s ASN 279 N -2.66 5.25 0.55 1.61 4.22 -1.26 -0.52 114.94 122.12 2pan s ASN 279 Ca 0.00 -0.33 0.06 0.00 -2.14 0.00 0.00 52.86 50.45 2pan s ASN 279 Cb 0.00 -1.26 0.04 0.00 1.28 0.00 0.00 41.25 41.32 2pan s ASN 279 CO 0.00 -0.00 0.44 0.00 -2.04 0.00 0.00 177.10 175.50 2pan s ARG 280 N -3.60 2.26 -0.86 3.55 1.70 -1.26 -4.85 118.95 115.89 2pan s ARG 280 Ca 0.32 -1.98 0.00 0.00 -0.47 0.00 0.00 55.73 53.60 2pan s ARG 280 Cb -0.08 -2.15 0.23 0.00 -0.57 0.00 0.00 34.95 32.38 2pan s ARG 280 CO 0.23 -0.64 0.84 1.19 -1.08 0.00 0.00 175.30 175.85 2pan n PHE 281 N -1.81 3.77 -1.77 5.89 3.01 -1.26 -5.04 117.46 120.25 2pan n PHE 281 Ca 0.00 -3.95 -0.41 0.00 1.01 0.00 0.00 57.45 54.10 2pan n PHE 281 Cb 0.64 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 2pan n PHE 281 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pan n ALA 282 N 1.84 2.26 -0.27 4.37 0.00 -1.26 -4.74 120.51 122.72 2pan n ALA 282 Ca 0.24 0.33 0.02 0.00 0.00 0.00 0.00 53.44 54.03 2pan n ALA 282 Cb 0.37 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.49 2pan n ALA 282 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pan n ASN 283 N 0.41 -0.34 -0.31 0.00 4.05 -1.26 -1.01 115.26 116.79 2pan n ASN 283 Ca 0.02 1.24 0.14 0.00 0.45 0.00 0.00 54.58 56.43 2pan n ASN 283 Cb 0.39 -0.34 0.47 0.00 1.23 0.00 0.00 39.78 41.53 2pan n ASN 283 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2pan n ARG 284 N -5.12 1.13 0.07 1.20 1.74 -1.26 -2.01 116.66 112.41 2pan n ARG 284 Ca 0.10 -0.63 -0.23 0.00 -0.77 0.00 0.00 57.85 56.32 2pan n ARG 284 Cb 0.33 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 2pan n ARG 284 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pan h HIS 285 N 1.54 0.73 0.04 -1.55 2.76 -1.34 0.11 115.15 117.43 2pan h HIS 285 Ca 0.00 -0.53 -0.36 0.00 -2.20 0.00 0.00 60.37 57.28 2pan h HIS 285 Cb 0.48 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 2pan h HIS 285 CO 0.00 1.68 -2.17 0.25 -1.30 0.00 0.00 177.93 176.39 2pan n THR 286 N -3.61 1.59 -4.43 6.26 -2.24 -0.66 -3.62 114.28 107.57 2pan n THR 286 Ca -0.25 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2pan n THR 286 Cb 1.07 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 2pan n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pan n GLY 287 N 1.95 0.98 3.67 3.38 0.00 -0.85 -4.39 105.19 109.93 2pan n GLY 287 Ca -0.34 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2pan n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pan s SER 288 N -4.00 6.58 0.35 1.61 0.01 -1.26 -4.90 113.70 112.09 2pan s SER 288 Ca 0.00 2.45 0.08 0.00 1.31 0.00 0.00 55.95 59.78 2pan s SER 288 Cb 0.00 -2.54 0.78 0.00 0.21 0.00 0.00 66.02 64.47 2pan s SER 288 CO 0.00 -0.95 1.87 0.58 0.41 0.00 0.00 173.24 175.14 2pan h VAL 289 N 5.35 0.85 -0.85 3.43 2.07 -1.95 -1.18 116.25 123.97 2pan h VAL 289 Ca -0.43 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2pan h VAL 289 Cb 1.20 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2pan h VAL 289 CO 0.94 0.13 0.54 -0.33 0.02 0.00 0.00 177.57 178.87 2pan h GLU 290 N 0.73 0.99 -0.18 1.57 3.07 -1.95 -1.59 114.58 117.22 2pan h GLU 290 Ca 0.45 -0.06 -0.22 0.00 -0.50 0.00 0.00 59.36 59.03 2pan h GLU 290 Cb 0.68 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2pan h GLU 290 CO -0.21 0.65 -0.73 0.87 -1.40 0.00 0.00 179.01 178.19 2pan h LYS 291 N 1.02 0.81 0.00 2.33 1.57 -1.61 -2.52 116.57 118.17 2pan h LYS 291 Ca 0.35 -0.63 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 2pan h LYS 291 Cb 0.08 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2pan h LYS 291 CO -0.14 1.24 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.89 2pan h TYR 292 N 0.57 0.00 0.00 -1.35 3.20 -1.04 -3.18 116.97 115.17 2pan h TYR 292 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2pan h TYR 292 Cb 1.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2pan h TYR 292 CO 0.08 0.17 -1.13 2.41 -1.64 0.00 0.00 178.16 178.06 2pan n THR 293 N -4.33 0.00 -1.67 1.81 -1.04 -0.63 -4.96 114.28 103.46 2pan n THR 293 Ca -0.02 -0.07 -0.52 0.00 -2.04 0.00 0.00 64.05 61.40 2pan n THR 293 Cb 0.24 0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 69.55 2pan n THR 293 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2pan n GLU 294 N -1.60 1.65 -3.09 -2.82 2.13 -0.95 -2.13 120.64 113.83 2pan n GLU 294 Ca 0.03 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.23 2pan n GLU 294 Cb 0.36 -2.35 0.04 0.00 0.27 0.00 0.00 31.44 29.77 2pan n GLU 294 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pan n GLY 295 N 3.85 -0.50 3.13 8.31 0.00 -1.26 -4.97 105.19 113.76 2pan n GLY 295 Ca 0.22 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 2pan n GLY 295 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pan s ARG 296 N -5.77 0.28 0.30 1.61 3.52 -0.90 -4.69 118.95 113.29 2pan s ARG 296 Ca 0.34 0.58 -0.15 0.00 -0.13 0.00 0.00 55.73 56.37 2pan s ARG 296 Cb -0.15 -0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 2pan s ARG 296 CO 0.42 -0.14 0.72 0.15 -0.81 0.00 0.00 175.30 175.64 2pan s LYS 297 N 1.12 4.01 -0.11 5.12 1.02 -0.77 -4.94 119.74 125.19 2pan s LYS 297 Ca -0.08 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.57 2pan s LYS 297 Cb -0.08 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2pan s LYS 297 CO -0.08 0.20 -0.13 0.42 -0.92 0.00 0.00 175.35 174.84 2pan s ILE 298 N -1.92 1.34 -0.05 2.17 -1.09 -1.26 -1.08 121.20 119.30 2pan s ILE 298 Ca 0.52 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 2pan s ILE 298 Cb -0.11 -1.25 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 2pan s ILE 298 CO 0.18 0.41 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.55 2pan s VAL 299 N 1.15 3.78 -0.12 2.92 1.01 -0.32 -0.84 120.40 127.98 2pan s VAL 299 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2pan s VAL 299 Cb -0.14 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2pan s VAL 299 CO -0.03 0.55 0.05 -2.28 0.00 0.00 0.00 175.10 173.39 2pan s HIS 300 N -0.87 0.48 -0.23 5.22 2.46 -1.26 -0.06 115.29 121.04 2pan s HIS 300 Ca 0.14 -0.27 -0.04 0.00 0.47 0.00 0.00 55.06 55.36 2pan s HIS 300 Cb -0.11 -0.75 -0.00 0.00 -0.13 0.00 0.00 32.58 31.59 2pan s HIS 300 CO 0.03 -0.42 -0.04 0.42 -2.47 0.00 0.00 174.74 172.27 2pan s ILE 301 N 2.04 3.36 0.02 0.89 1.01 0.69 -0.17 121.20 129.04 2pan s ILE 301 Ca 0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2pan s ILE 301 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2pan s ILE 301 CO -0.06 0.39 0.03 -0.62 0.00 0.00 0.00 174.94 174.67 2pan s ASP 302 N 1.47 0.18 0.43 3.58 -1.08 -0.83 -1.12 116.67 119.29 2pan s ASP 302 Ca 0.05 -0.44 0.23 0.00 -0.52 0.00 0.00 52.55 51.87 2pan s ASP 302 Cb -0.15 0.15 0.77 0.00 -1.46 0.00 0.00 42.92 42.23 2pan s ASP 302 CO -0.03 -0.36 1.76 -0.29 0.52 0.00 0.00 175.17 176.77 2pan h ILE 303 N 4.35 0.50 -3.62 4.11 2.10 -1.77 0.19 117.51 123.37 2pan h ILE 303 Ca -0.32 -1.23 -0.69 0.00 1.08 0.00 0.00 64.86 63.70 2pan h ILE 303 Cb 1.20 1.87 -0.25 0.00 -1.09 0.00 0.00 36.82 38.55 2pan h ILE 303 CO 0.43 0.22 -0.57 -0.70 -1.08 0.00 0.00 178.15 176.46 2pan s GLU 304 N -3.50 3.02 0.25 2.19 2.56 -1.26 -4.57 118.70 117.39 2pan s GLU 304 Ca 0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 54.97 54.00 2pan s GLU 304 Cb 0.09 -3.54 0.45 0.00 2.00 0.00 0.00 34.13 33.13 2pan s GLU 304 CO 0.65 -0.54 1.65 -1.35 -0.56 0.00 0.00 175.26 175.11 2pan h PRO 305 N 8.32 0.14 0.00 4.30 0.11 -1.97 -1.79 132.00 141.11 2pan h PRO 305 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2pan h PRO 305 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pan h PRO 305 CO 0.62 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 2pan n THR 306 N -5.29 0.00 0.71 -1.15 -2.24 -1.26 -1.83 114.28 103.22 2pan n THR 306 Ca 0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2pan n THR 306 Cb 0.48 -0.50 0.13 0.00 -2.10 0.00 0.00 70.33 68.34 2pan n THR 306 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pan n GLN 307 N -0.92 0.19 -3.19 -0.78 1.13 -0.67 -4.55 117.38 108.59 2pan n GLN 307 Ca 0.17 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 2pan n GLN 307 Cb 0.08 -1.59 -0.07 0.00 0.11 0.00 0.00 30.24 28.76 2pan n GLN 307 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pan s ILE 308 N -3.12 4.94 0.00 5.09 1.01 -0.76 -3.85 121.20 124.51 2pan s ILE 308 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2pan s ILE 308 Cb 0.15 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2pan s ILE 308 CO 0.75 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2pan n GLY 309 N 4.95 0.70 0.23 6.18 0.00 -1.22 -4.99 105.19 111.05 2pan n GLY 309 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2pan n GLY 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pan h ARG 310 N 4.39 0.74 0.00 1.61 2.43 -1.80 -3.39 114.38 118.36 2pan h ARG 310 Ca 0.00 -0.47 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 2pan h ARG 310 Cb 0.00 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2pan h ARG 310 CO 0.00 1.10 -1.63 0.28 -1.51 0.00 0.00 179.97 178.21 2pan n VAL 311 N -3.98 0.63 -3.99 0.20 0.31 -1.26 -5.05 118.33 105.19 2pan n VAL 311 Ca -0.04 -0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 2pan n VAL 311 Cb 0.62 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 32.55 2pan n VAL 311 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2pan s LEU 312 N -5.67 2.08 -0.35 7.52 0.05 -1.26 -5.00 118.68 116.05 2pan s LEU 312 Ca -0.15 -0.76 -0.19 0.00 0.05 0.00 0.00 54.13 53.08 2pan s LEU 312 Cb 0.04 0.45 -0.00 0.00 -2.05 0.00 0.00 46.19 44.63 2pan s LEU 312 CO 0.25 -0.57 0.58 0.00 -0.55 0.00 0.00 176.35 176.06 2pan s PRO 314 N 2.55 3.69 0.34 0.00 0.04 -1.26 -4.96 135.00 135.39 2pan s PRO 314 Ca 0.22 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2pan s PRO 314 Cb -0.15 -2.09 0.61 0.00 0.04 0.00 0.00 34.50 32.91 2pan s PRO 314 CO 0.14 -0.50 1.83 -0.44 0.04 0.00 0.00 177.00 178.08 2pan h ASP 315 N 0.77 0.35 0.00 6.66 3.32 -1.38 -3.43 116.42 122.71 2pan h ASP 315 Ca -0.47 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2pan h ASP 315 Cb 1.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2pan h ASP 315 CO 0.60 0.54 0.00 -0.11 -1.72 0.00 0.00 179.24 178.55 2pan n LEU 316 N -4.21 0.00 -1.34 1.55 7.94 -1.11 -5.04 117.00 114.79 2pan n LEU 316 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2pan n LEU 316 Cb 0.32 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.26 2pan n LEU 316 CO 0.40 -0.15 -0.14 0.61 -1.11 0.00 0.00 177.39 177.00 2pan n GLY 317 N 3.68 -3.69 2.97 -3.96 0.00 -1.25 -4.91 105.19 98.03 2pan n GLY 317 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2pan n GLY 317 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pan s ILE 318 N -0.16 0.75 -0.37 -0.61 1.01 0.77 -4.94 121.20 117.64 2pan s ILE 318 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 2pan s ILE 318 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.78 2pan s ILE 318 CO 0.00 0.25 0.69 -0.69 0.00 0.00 0.00 174.94 175.19 2pan s VAL 319 N 0.49 4.82 -0.21 2.92 1.01 -1.26 -1.97 120.40 126.20 2pan s VAL 319 Ca -0.08 0.62 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 2pan s VAL 319 Cb -0.11 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2pan s VAL 319 CO 0.01 -0.40 0.98 -0.55 0.00 0.00 0.00 175.10 175.14 2pan s SER 320 N 1.85 -0.43 0.53 3.32 0.15 0.65 -4.05 113.70 115.72 2pan s SER 320 Ca 0.27 0.65 -0.22 0.00 0.70 0.00 0.00 55.95 57.34 2pan s SER 320 Cb -0.14 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.71 2pan s SER 320 CO 0.16 -0.28 1.37 -0.67 1.20 0.00 0.00 173.24 175.03 2pan n ASP 321 N 1.42 2.81 0.12 5.45 -0.08 0.25 -2.35 116.55 124.17 2pan n ASP 321 Ca -0.12 1.00 -0.03 0.00 -1.51 0.00 0.00 54.79 54.13 2pan n ASP 321 Cb 0.57 -1.58 0.11 0.00 2.34 0.00 0.00 41.12 42.55 2pan n ASP 321 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pan h ALA 322 N 1.58 0.84 -0.10 -1.67 0.00 -1.91 -2.19 119.26 115.81 2pan h ALA 322 Ca -0.51 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 53.72 2pan h ALA 322 Cb 1.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pan h ALA 322 CO 0.58 0.85 -0.14 -0.22 0.00 0.00 0.00 179.25 180.31 2pan h LYS 323 N 0.03 0.28 -0.53 0.00 3.64 -1.90 -1.41 116.57 116.67 2pan h LYS 323 Ca -0.01 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2pan h LYS 323 Cb 1.23 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2pan h LYS 323 CO 0.09 0.73 0.34 0.00 -2.27 0.00 0.00 179.45 178.34 2pan h ALA 324 N 0.54 0.67 -0.55 5.00 0.00 -1.93 -1.04 119.26 121.96 2pan h ALA 324 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2pan h ALA 324 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2pan h ALA 324 CO 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 2pan h ALA 325 N 1.20 0.74 -0.06 0.00 0.00 -1.42 -2.72 119.26 117.00 2pan h ALA 325 Ca 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2pan h ALA 325 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2pan h ALA 325 CO -0.06 0.61 -0.54 -0.07 0.00 0.00 0.00 179.25 179.19 2pan h LEU 326 N 0.88 0.20 -0.38 0.00 3.38 -1.10 -0.16 115.31 118.13 2pan h LEU 326 Ca 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pan h LEU 326 Cb 0.59 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2pan h LEU 326 CO 0.04 0.71 0.23 0.74 0.09 0.00 0.00 178.44 180.25 2pan h THR 327 N 0.14 1.12 -0.38 0.22 2.02 -1.07 -0.74 112.91 114.22 2pan h THR 327 Ca 0.00 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2pan h THR 327 Cb 1.00 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2pan h THR 327 CO 0.08 0.12 0.10 -0.07 0.37 0.00 0.00 175.52 176.11 2pan h LEU 328 N 0.50 0.56 -0.69 2.58 -0.00 -1.31 -2.47 115.31 114.49 2pan h LEU 328 Ca 0.14 -0.23 0.04 0.00 -0.00 0.00 0.00 57.88 57.83 2pan h LEU 328 Cb -0.01 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.45 2pan h LEU 328 CO -0.03 0.64 0.42 -0.07 -0.00 0.00 0.00 178.44 179.40 2pan h LEU 329 N 0.46 0.67 -0.31 1.67 3.38 -0.78 0.22 115.31 120.61 2pan h LEU 329 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2pan h LEU 329 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2pan h LEU 329 CO 0.00 0.45 0.14 0.58 0.09 0.00 0.00 178.44 179.70 2pan h VAL 330 N 0.80 1.16 -0.32 1.22 2.07 -1.15 -0.17 116.25 119.86 2pan h VAL 330 Ca 0.29 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2pan h VAL 330 Cb 0.07 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2pan h VAL 330 CO -0.13 0.17 0.20 -0.08 0.02 0.00 0.00 177.57 177.75 2pan h GLU 331 N 0.36 0.39 -0.40 1.57 4.57 -0.90 -0.99 114.58 119.18 2pan h GLU 331 Ca 0.11 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 2pan h GLU 331 Cb 0.14 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2pan h GLU 331 CO -0.01 0.26 -0.36 0.28 -1.18 0.00 0.00 179.01 178.00 2pan h VAL 332 N 0.40 1.27 -0.74 0.32 2.07 -0.53 -2.64 116.25 116.40 2pan h VAL 332 Ca 0.12 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2pan h VAL 332 Cb -0.01 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2pan h VAL 332 CO -0.05 0.52 0.48 0.00 0.02 0.00 0.00 177.57 178.54 2pan h ALA 333 N 0.79 0.94 -0.48 1.67 0.00 -0.89 -2.70 119.26 118.60 2pan h ALA 333 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pan h ALA 333 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2pan h ALA 333 CO 0.09 0.31 0.18 1.96 0.00 0.00 0.00 179.25 181.79 2pan h GLN 334 N 0.96 0.69 -1.29 0.00 4.20 -1.07 -0.85 115.11 117.74 2pan h GLN 334 Ca 0.28 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pan h GLN 334 Cb -0.06 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2pan h GLN 334 CO -0.08 0.58 0.00 0.39 -0.67 0.00 0.00 178.83 179.05 2pan n GLU 335 N -4.34 0.51 0.00 1.46 1.02 -1.01 -2.05 120.64 116.22 2pan n GLU 335 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2pan n GLU 335 Cb 0.16 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2pan n GLU 335 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pan n GLN 337 N 0.65 0.00 -0.05 3.49 7.27 -0.33 -2.42 117.38 126.00 2pan n GLN 337 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2pan n GLN 337 Cb 0.23 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.98 2pan n GLN 337 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2pan h LYS 338 N 0.00 0.68 0.00 3.69 1.57 -1.68 -3.41 116.57 117.41 2pan h LYS 338 Ca 0.00 -0.30 -0.36 0.00 -1.87 0.00 0.00 60.65 58.12 2pan h LYS 338 Cb 0.00 -0.02 0.16 0.00 0.08 0.00 0.00 32.23 32.45 2pan h LYS 338 CO 0.00 0.90 0.27 0.00 -0.57 0.00 0.00 179.45 180.05 2pan n ALA 339 N -2.50 -1.84 -1.58 3.86 0.00 -1.01 -4.98 120.51 112.45 2pan n ALA 339 Ca -0.01 -1.44 -0.36 0.00 0.00 0.00 0.00 53.44 51.63 2pan n ALA 339 Cb 0.47 -0.08 0.06 0.00 0.00 0.00 0.00 19.45 19.90 2pan n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 340 N -2.81 5.79 0.00 0.00 0.00 -1.26 -4.67 105.19 102.24 2pan n GLY 340 Ca 0.14 -2.39 0.07 0.00 0.00 0.00 0.00 46.02 43.83 2pan n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pan n ARG 341 N -0.78 1.89 -3.01 1.61 1.74 -1.26 -4.88 116.66 111.97 2pan n ARG 341 Ca 0.59 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 2pan n ARG 341 Cb 0.53 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.72 2pan n ARG 341 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pan s LEU 342 N -3.02 4.08 0.69 0.55 1.43 -1.26 -4.99 118.68 116.16 2pan s LEU 342 Ca 0.02 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 2pan s LEU 342 Cb 0.10 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.34 2pan s LEU 342 CO 0.57 -0.47 1.12 -2.16 0.23 0.00 0.00 176.35 175.65 2pan s PRO 343 N 2.70 2.59 0.12 1.29 0.05 -1.26 -5.01 135.00 135.48 2pan s PRO 343 Ca 0.30 1.42 -0.30 0.00 0.05 0.00 0.00 61.00 62.46 2pan s PRO 343 Cb -0.15 -1.92 -0.06 0.00 0.05 0.00 0.00 34.50 32.41 2pan s PRO 343 CO 0.09 -1.42 1.03 0.00 0.05 0.00 0.00 177.00 176.76 2pan n ARG 345 N 2.84 1.37 -0.12 0.00 1.74 -1.26 -4.87 116.66 116.36 2pan n ARG 345 Ca 0.03 -3.12 -0.05 0.00 -0.77 0.00 0.00 57.85 53.94 2pan n ARG 345 Cb 0.48 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2pan n ARG 345 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2pan h LYS 346 N 1.01 0.20 -0.06 5.56 1.63 -1.93 -2.12 116.57 120.87 2pan h LYS 346 Ca -0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2pan h LYS 346 Cb 1.14 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2pan h LYS 346 CO 0.02 0.13 0.01 1.49 -3.45 0.00 0.00 179.45 177.66 2pan h GLU 347 N 0.21 0.09 -0.40 1.90 4.57 -1.99 -1.51 114.58 117.44 2pan h GLU 347 Ca 0.19 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2pan h GLU 347 Cb 0.22 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2pan h GLU 347 CO -0.25 0.29 0.15 2.35 -1.18 0.00 0.00 179.01 180.38 2pan h TRP 348 N -0.12 0.61 -0.98 0.92 2.91 -1.89 -1.74 115.95 115.66 2pan h TRP 348 Ca 0.02 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.03 2pan h TRP 348 Cb 0.24 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.64 2pan h TRP 348 CO 0.00 0.55 0.64 0.28 -1.03 0.00 0.00 178.44 178.88 2pan h VAL 349 N 0.50 1.16 0.26 2.65 2.07 -1.40 -2.53 116.25 118.95 2pan h VAL 349 Ca 0.13 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2pan h VAL 349 Cb 0.20 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 2pan h VAL 349 CO -0.01 0.22 -0.13 0.00 0.02 0.00 0.00 177.57 177.68 2pan h ALA 350 N 1.41 -0.35 0.00 1.67 0.00 -0.70 -2.47 119.26 118.81 2pan h ALA 350 Ca 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pan h ALA 350 Cb 0.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pan h ALA 350 CO -0.13 -0.63 0.00 0.38 0.00 0.00 0.00 179.25 178.86 2pan h ASP 351 N -0.48 0.00 -0.28 0.00 3.04 -1.29 -0.44 116.42 116.96 2pan h ASP 351 Ca -0.04 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.74 2pan h ASP 351 Cb 0.36 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.64 2pan h ASP 351 CO 0.06 0.00 0.11 0.00 -2.04 0.00 0.00 179.24 177.37 2pan h GLN 353 N 0.31 0.52 -0.69 0.00 4.20 -0.82 -2.28 115.11 116.34 2pan h GLN 353 Ca 0.09 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2pan h GLN 353 Cb 0.20 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2pan h GLN 353 CO -0.01 0.62 0.26 1.96 -0.67 0.00 0.00 178.83 180.99 2pan h GLN 354 N 0.49 1.05 -0.67 1.46 1.08 -1.04 -2.17 115.11 115.32 2pan h GLN 354 Ca 0.09 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2pan h GLN 354 Cb 0.46 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2pan h GLN 354 CO 0.02 0.88 0.40 0.00 -0.95 0.00 0.00 178.83 179.19 2pan h ARG 355 N 1.00 0.90 0.00 1.46 3.08 -1.29 -2.97 114.38 116.55 2pan h ARG 355 Ca 0.23 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2pan h ARG 355 Cb 0.24 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2pan h ARG 355 CO -0.01 0.64 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.27 2pan h LYS 356 N 0.91 0.00 -0.33 0.04 3.64 -0.81 -1.18 116.57 118.84 2pan h LYS 356 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2pan h LYS 356 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2pan h LYS 356 CO -0.05 0.04 0.00 2.89 -2.27 0.00 0.00 179.45 180.06 2pan n ARG 357 N -3.35 2.88 0.00 1.90 1.85 -0.95 -4.66 116.66 114.34 2pan n ARG 357 Ca -0.02 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.72 2pan n ARG 357 Cb 0.17 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 2pan n ARG 357 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2pan n THR 358 N 0.40 0.00 -2.87 8.89 -2.24 -0.92 -4.65 114.28 112.88 2pan n THR 358 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 2pan n THR 358 Cb 0.46 -0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.57 2pan n THR 358 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pan n LEU 359 N -1.13 6.34 -4.79 3.22 4.77 -0.49 -4.05 117.00 120.87 2pan n LEU 359 Ca 0.00 -5.02 -0.28 0.00 -0.03 0.00 0.00 56.01 50.68 2pan n LEU 359 Cb 0.14 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 39.81 2pan n LEU 359 CO 0.00 1.53 -0.13 -0.76 -1.33 0.00 0.00 177.39 176.71 2pan s LEU 360 N -1.77 2.74 -0.03 2.23 1.43 -0.35 -3.84 118.68 119.09 2pan s LEU 360 Ca 0.34 -1.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 2pan s LEU 360 Cb 0.04 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2pan s LEU 360 CO 0.06 -0.80 -0.22 -0.13 0.23 0.00 0.00 176.35 175.48 2pan s ARG 361 N -4.01 2.00 0.22 1.70 0.52 -1.26 -1.00 118.95 117.12 2pan s ARG 361 Ca 0.29 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 2pan s ARG 361 Cb 0.02 -1.83 -0.10 0.00 0.52 0.00 0.00 34.95 33.56 2pan s ARG 361 CO 0.16 0.42 1.41 0.21 0.02 0.00 0.00 175.30 177.52 2pan s LYS 362 N -0.34 4.30 0.00 3.54 2.20 -0.88 -4.64 119.74 123.93 2pan s LYS 362 Ca 0.03 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 2pan s LYS 362 Cb -0.10 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2pan s LYS 362 CO 0.01 -0.39 0.00 0.25 -0.36 0.00 0.00 175.35 174.86 2pan n THR 363 N 2.64 0.00 -2.57 3.43 -2.24 0.14 -4.90 114.28 110.78 2pan n THR 363 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2pan n THR 363 Cb 0.41 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2pan n THR 363 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pan n HIS 364 N -1.61 4.40 -4.03 4.78 -0.00 -0.60 -2.95 115.22 115.20 2pan n HIS 364 Ca 0.00 -3.04 -0.35 0.00 -0.00 0.00 0.00 57.72 54.33 2pan n HIS 364 Cb 0.20 -2.37 -0.09 0.00 -0.00 0.00 0.00 29.99 27.73 2pan n HIS 364 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2pan s PHE 365 N 2.58 3.27 -2.38 1.57 0.40 -1.26 -4.98 117.98 117.18 2pan s PHE 365 Ca 0.47 0.12 0.22 0.00 -0.60 0.00 0.00 56.93 57.14 2pan s PHE 365 Cb 0.04 -2.04 0.53 0.00 0.51 0.00 0.00 43.02 42.05 2pan s PHE 365 CO 0.02 0.23 1.44 -0.25 0.70 0.00 0.00 175.22 177.37 2pan n ASP 366 N 3.27 2.87 -4.64 1.36 8.00 -1.26 -4.86 116.55 121.29 2pan n ASP 366 Ca -0.17 -1.91 -0.37 0.00 0.71 0.00 0.00 54.79 53.05 2pan n ASP 366 Cb 0.53 -0.22 0.07 0.00 -0.02 0.00 0.00 41.12 41.48 2pan n ASP 366 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pan n ASN 367 N 1.11 0.90 -3.79 -2.24 4.13 -1.26 -4.81 115.26 109.29 2pan n ASN 367 Ca 0.18 0.76 -0.22 0.00 1.68 0.00 0.00 54.58 56.98 2pan n ASN 367 Cb 0.51 -1.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.15 2pan n ASN 367 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2pan s VAL 368 N -1.59 0.38 0.76 2.41 1.01 -1.26 -3.84 120.40 118.26 2pan s VAL 368 Ca 0.77 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 2pan s VAL 368 Cb -0.38 -0.51 0.06 0.00 0.00 0.00 0.00 36.38 35.54 2pan s VAL 368 CO 0.46 0.25 1.13 -2.16 0.00 0.00 0.00 175.10 174.78 2pan s PRO 369 N 1.74 2.12 0.28 2.72 0.04 -1.26 -5.11 135.00 135.52 2pan s PRO 369 Ca 0.01 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 2pan s PRO 369 Cb -0.13 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2pan s PRO 369 CO -0.04 -1.79 1.29 0.08 0.04 0.00 0.00 177.00 176.58 2pan s VAL 370 N -2.49 2.94 0.05 -0.36 1.01 -1.19 -4.28 120.40 116.08 2pan s VAL 370 Ca 0.67 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 2pan s VAL 370 Cb -0.22 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2pan s VAL 370 CO 0.50 0.18 0.80 -0.54 0.00 0.00 0.00 175.10 176.04 2pan s LYS 371 N -1.16 4.53 0.45 2.72 1.02 -1.26 -0.91 119.74 125.13 2pan s LYS 371 Ca 0.51 1.13 0.12 0.00 0.02 0.00 0.00 55.97 57.75 2pan s LYS 371 Cb -0.38 -3.37 1.02 0.00 -0.52 0.00 0.00 37.83 34.58 2pan s LYS 371 CO 0.46 0.26 2.06 -1.00 -0.92 0.00 0.00 175.35 176.21 2pan h PRO 372 N 5.70 0.22 0.00 -1.68 0.13 -1.95 -1.80 132.00 132.62 2pan h PRO 372 Ca -0.44 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2pan h PRO 372 Cb 1.21 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pan h PRO 372 CO 0.71 0.21 -0.07 -0.56 -0.23 0.00 0.00 178.00 178.06 2pan h GLN 373 N 0.22 0.00 -0.01 0.86 -0.00 -1.92 -0.57 115.11 113.69 2pan h GLN 373 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.61 2pan h GLN 373 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 2pan h GLN 373 CO -0.00 0.07 -0.45 -0.09 -0.00 0.00 0.00 178.83 178.36 2pan h ARG 374 N 0.00 0.03 -0.49 0.06 9.65 -1.21 -3.14 114.38 119.29 2pan h ARG 374 Ca -0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2pan h ARG 374 Cb 0.36 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2pan h ARG 374 CO 0.01 0.47 0.18 0.28 2.80 0.00 0.00 179.97 183.71 2pan h VAL 375 N 0.02 1.22 -0.12 0.20 2.07 -1.19 -2.63 116.25 115.83 2pan h VAL 375 Ca -0.00 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 2pan h VAL 375 Cb 0.80 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2pan h VAL 375 CO 0.06 0.26 -0.49 1.88 0.02 0.00 0.00 177.57 179.29 2pan h TYR 376 N 0.65 0.37 -0.24 1.57 -1.99 -1.55 -2.61 116.97 113.16 2pan h TYR 376 Ca 0.16 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2pan h TYR 376 Cb 0.23 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 2pan h TYR 376 CO 0.01 0.74 0.06 1.49 -0.00 0.00 0.00 178.16 180.45 2pan h GLU 377 N 0.24 0.15 -1.70 4.88 4.81 -1.49 -2.18 114.58 119.29 2pan h GLU 377 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pan h GLU 377 Cb 0.96 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2pan h GLU 377 CO 0.08 0.10 0.00 0.39 -0.73 0.00 0.00 179.01 178.85 2pan n GLU 378 N -5.07 0.36 0.00 1.92 -0.58 -0.99 -2.46 120.64 113.82 2pan n GLU 378 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2pan n GLU 378 Cb 0.10 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2pan n GLU 378 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pan n ASN 380 N 1.00 0.00 -0.14 1.62 3.02 -0.82 -0.95 115.26 118.98 2pan n ASN 380 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2pan n ASN 380 Cb 0.18 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 2pan n ASN 380 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2pan h LYS 381 N 0.00 0.88 0.02 3.52 1.57 -1.77 -3.34 116.57 117.45 2pan h LYS 381 Ca 0.00 -0.38 -0.21 0.00 -1.87 0.00 0.00 60.65 58.20 2pan h LYS 381 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2pan h LYS 381 CO 0.00 1.02 -0.93 0.00 -0.57 0.00 0.00 179.45 178.97 2pan h ALA 382 N 0.84 0.45 -3.17 3.86 0.00 -1.33 -3.46 119.26 116.45 2pan h ALA 382 Ca 0.10 -0.76 -0.64 0.00 0.00 0.00 0.00 54.91 53.61 2pan h ALA 382 Cb 0.74 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2pan h ALA 382 CO 0.06 0.96 -0.61 -0.06 0.00 0.00 0.00 179.25 179.59 2pan s PHE 383 N -3.09 3.15 1.07 0.00 0.40 -1.26 -5.03 117.98 113.22 2pan s PHE 383 Ca -0.03 0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 2pan s PHE 383 Cb 0.10 -1.59 0.24 0.00 0.51 0.00 0.00 43.02 42.27 2pan s PHE 383 CO 0.83 0.51 1.23 0.20 0.70 0.00 0.00 175.22 178.70 2pan s GLY 384 N -2.43 1.70 0.44 4.36 0.00 -1.26 -4.85 107.32 105.27 2pan s GLY 384 Ca 0.29 -1.09 0.20 0.00 0.00 0.00 0.00 44.72 44.12 2pan s GLY 384 CO 0.21 -0.27 1.91 -0.09 0.00 0.00 0.00 173.10 174.86 2pan h ARG 385 N -2.06 0.00 -0.15 2.90 2.43 -1.85 -2.72 114.38 112.93 2pan h ARG 385 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2pan h ARG 385 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2pan h ARG 385 CO 0.36 0.25 0.00 -0.40 -1.51 0.00 0.00 179.97 178.68 2pan n ASP 386 N -3.78 0.85 -4.70 -3.80 3.85 -1.26 -4.36 116.55 103.34 2pan n ASP 386 Ca -0.01 -1.93 -0.39 0.00 -0.71 0.00 0.00 54.79 51.75 2pan n ASP 386 Cb 0.35 -0.10 0.04 0.00 -1.35 0.00 0.00 41.12 40.07 2pan n ASP 386 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2pan n VAL 387 N -0.07 3.72 -3.91 2.12 3.14 -1.03 -4.46 118.33 117.84 2pan n VAL 387 Ca 0.07 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.65 2pan n VAL 387 Cb 0.14 -1.50 -0.16 0.00 -1.06 0.00 0.00 33.84 31.27 2pan n VAL 387 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pan s TYR 389 N 1.47 3.72 -0.09 0.00 4.12 -0.60 -0.62 117.35 125.34 2pan s TYR 389 Ca -0.05 1.05 0.03 0.00 0.02 0.00 0.00 57.07 58.12 2pan s TYR 389 Cb -0.18 -2.38 0.01 0.00 -1.52 0.00 0.00 41.96 37.89 2pan s TYR 389 CO -0.07 0.56 -0.17 0.08 0.02 0.00 0.00 175.55 175.97 2pan s VAL 390 N -0.84 1.58 0.32 0.71 1.01 -0.52 -0.95 120.40 121.71 2pan s VAL 390 Ca 0.25 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2pan s VAL 390 Cb -0.17 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2pan s VAL 390 CO 0.14 0.45 0.68 0.28 0.00 0.00 0.00 175.10 176.66 2pan s THR 391 N 0.65 0.00 0.00 3.92 -1.32 -0.83 -1.22 115.64 116.84 2pan s THR 391 Ca -0.14 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 2pan s THR 391 Cb -0.16 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2pan s THR 391 CO 0.04 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.86 2pan n THR 392 N -0.48 0.00 -3.56 5.08 -1.04 -1.26 -4.01 114.28 109.00 2pan n THR 392 Ca -0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.81 2pan n THR 392 Cb 0.60 -0.18 -0.06 0.00 -1.82 0.00 0.00 70.33 68.88 2pan n THR 392 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2pan s ILE 393 N 0.00 0.02 0.00 12.58 2.07 -1.26 -4.71 121.20 129.90 2pan s ILE 393 Ca 0.00 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 2pan s ILE 393 Cb 0.00 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2pan s ILE 393 CO 0.00 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 2pan n GLY 394 N 0.69 1.71 0.26 1.50 0.00 -1.26 -4.58 105.19 103.51 2pan n GLY 394 Ca -0.19 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.83 2pan n GLY 394 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pan h LEU 395 N 0.00 0.21 -0.30 0.99 3.38 -1.95 -0.93 115.31 116.71 2pan h LEU 395 Ca 0.00 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2pan h LEU 395 Cb 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2pan h LEU 395 CO 0.00 0.27 -0.24 0.77 0.09 0.00 0.00 178.44 179.34 2pan h SER 396 N 0.23 -0.78 1.02 -0.43 4.64 -1.94 -2.14 113.55 114.16 2pan h SER 396 Ca 0.05 0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 2pan h SER 396 Cb 0.19 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 2pan h SER 396 CO 0.01 -0.27 -1.04 0.06 -0.87 0.00 0.00 176.83 174.72 2pan h GLN 397 N -0.21 0.00 0.32 4.77 -0.00 -1.71 -2.75 115.11 115.52 2pan h GLN 397 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 2pan h GLN 397 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2pan h GLN 397 CO -0.43 0.57 -0.16 0.82 -0.00 0.00 0.00 178.83 179.63 2pan h ILE 398 N 0.00 0.70 -0.39 1.86 2.04 -1.13 0.46 117.51 121.05 2pan h ILE 398 Ca -0.09 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2pan h ILE 398 Cb 1.62 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2pan h ILE 398 CO 0.08 0.06 0.05 0.00 0.00 0.00 0.00 178.15 178.34 2pan h ALA 399 N 0.02 1.35 -0.37 1.87 0.00 -1.52 -1.89 119.26 118.72 2pan h ALA 399 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pan h ALA 399 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2pan h ALA 399 CO 0.07 0.45 0.23 0.00 0.00 0.00 0.00 179.25 180.00 2pan h ALA 400 N 1.48 0.47 -0.13 0.00 0.00 -1.36 -2.75 119.26 116.97 2pan h ALA 400 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2pan h ALA 400 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pan h ALA 400 CO 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.10 2pan h ALA 401 N 1.10 1.57 -0.41 0.00 0.00 -0.37 0.12 119.26 121.27 2pan h ALA 401 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2pan h ALA 401 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2pan h ALA 401 CO -0.03 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.60 2pan n GLN 402 N -4.30 3.28 0.00 0.00 10.64 -0.76 -4.80 117.38 121.44 2pan n GLN 402 Ca -0.01 -2.03 0.00 0.00 -1.83 0.00 0.00 57.00 53.13 2pan n GLN 402 Cb 0.25 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.67 2pan n GLN 402 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2pan n LEU 404 N 0.26 0.00 -4.08 2.61 4.77 0.43 -4.92 117.00 116.07 2pan n LEU 404 Ca 0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2pan n LEU 404 Cb 0.93 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.88 2pan n LEU 404 CO 0.24 0.00 -0.44 -1.00 -1.33 0.00 0.00 177.39 174.86 2pan s HIS 405 N 0.00 0.98 0.03 -1.77 3.76 -1.26 -5.11 115.29 111.92 2pan s HIS 405 Ca 0.00 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 54.68 2pan s HIS 405 Cb 0.00 -0.61 -0.02 0.00 1.11 0.00 0.00 32.58 33.07 2pan s HIS 405 CO 0.00 -0.00 -0.13 0.08 -0.85 0.00 0.00 174.74 173.84 2pan s VAL 406 N -0.61 1.01 -0.01 -0.90 1.01 -1.26 -5.02 120.40 114.63 2pan s VAL 406 Ca 0.01 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2pan s VAL 406 Cb -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.42 2pan s VAL 406 CO 0.00 0.01 0.80 0.49 0.00 0.00 0.00 175.10 176.40 2pan n PHE 407 N 2.01 0.00 -3.48 5.22 3.01 -1.26 -2.42 117.46 120.54 2pan n PHE 407 Ca -0.18 -0.29 -0.11 0.00 1.01 0.00 0.00 57.45 57.88 2pan n PHE 407 Cb 0.55 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 2pan n PHE 407 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pan s LYS 408 N -0.64 1.28 0.34 -1.08 2.20 -1.25 -4.57 119.74 116.03 2pan s LYS 408 Ca 0.02 -0.54 -0.26 0.00 -0.36 0.00 0.00 55.97 54.83 2pan s LYS 408 Cb 0.02 0.57 -0.09 0.00 -1.51 0.00 0.00 37.83 36.82 2pan s LYS 408 CO 0.00 -0.56 1.03 0.16 -0.36 0.00 0.00 175.35 175.62 2pan s ASP 409 N -2.77 7.11 -1.33 1.43 1.47 -0.81 -3.13 116.67 118.64 2pan s ASP 409 Ca 0.02 2.05 0.00 0.00 1.18 0.00 0.00 52.55 55.80 2pan s ASP 409 Cb -0.01 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 2pan s ASP 409 CO -0.12 -0.24 0.00 0.54 0.68 0.00 0.00 175.17 176.03 2pan n ARG 410 N 0.55 -1.15 -0.23 2.11 1.74 -1.26 -4.89 116.66 113.52 2pan n ARG 410 Ca 0.02 0.78 0.07 0.00 -0.77 0.00 0.00 57.85 57.95 2pan n ARG 410 Cb 0.48 -5.07 0.19 0.00 -1.02 0.00 0.00 32.46 27.05 2pan n ARG 410 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2pan n HIS 411 N -3.72 0.60 -3.77 -1.55 8.25 -1.18 -4.74 115.22 109.10 2pan n HIS 411 Ca -0.17 -0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 56.47 2pan n HIS 411 Cb 0.60 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.53 2pan n HIS 411 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2pan s TRP 412 N -1.09 1.92 -0.43 4.41 -0.11 -1.26 -1.56 118.94 120.82 2pan s TRP 412 Ca 0.29 -1.82 -0.14 0.00 1.22 0.00 0.00 56.10 55.66 2pan s TRP 412 Cb 0.16 -1.80 0.05 0.00 -1.50 0.00 0.00 33.47 30.38 2pan s TRP 412 CO 0.19 -0.87 0.32 0.42 -4.62 0.00 0.00 176.95 172.39 2pan s ILE 413 N 1.55 4.97 -0.15 5.86 -1.09 -0.12 -5.01 121.20 127.21 2pan s ILE 413 Ca 0.09 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.46 2pan s ILE 413 Cb -0.17 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2pan s ILE 413 CO -0.22 -0.44 0.33 0.21 -1.23 0.00 0.00 174.94 173.59 2pan s ASN 414 N 2.11 -0.21 -1.25 3.58 2.47 -1.26 -1.96 114.94 118.41 2pan s ASN 414 Ca 0.04 0.74 -0.19 0.00 0.42 0.00 0.00 52.86 53.87 2pan s ASN 414 Cb -0.22 0.75 0.05 0.00 -1.45 0.00 0.00 41.25 40.38 2pan s ASN 414 CO 0.07 -0.20 1.73 0.00 -3.72 0.00 0.00 177.10 174.98 2pan h GLY 416 N 13.17 0.00 0.06 0.00 0.00 -1.94 -1.97 103.07 112.40 2pan h GLY 416 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.35 2pan h GLY 416 CO 1.43 0.00 -2.37 -0.18 0.00 0.00 0.00 176.54 175.42 2pan n GLN 417 N -3.65 0.68 -0.10 4.80 -0.06 -1.26 -4.70 117.38 113.09 2pan n GLN 417 Ca -0.01 0.06 -0.13 0.00 -2.00 0.00 0.00 57.00 54.91 2pan n GLN 417 Cb 0.41 -1.54 -0.10 0.00 -4.06 0.00 0.00 30.24 24.95 2pan n GLN 417 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2pan n ALA 418 N -2.89 1.56 -3.95 1.69 0.00 -1.25 -5.05 120.51 110.62 2pan n ALA 418 Ca -0.36 -0.93 -0.36 0.00 0.00 0.00 0.00 53.44 51.79 2pan n ALA 418 Cb 1.10 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.56 2pan n ALA 418 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pan n GLY 419 N 2.40 -0.70 3.69 0.00 0.00 -0.74 -4.91 105.19 104.93 2pan n GLY 419 Ca -0.35 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2pan n GLY 419 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pan s PRO 420 N -6.80 4.40 0.42 1.61 0.04 -1.26 -4.77 135.00 128.64 2pan s PRO 420 Ca 0.35 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 2pan s PRO 420 Cb -0.16 -3.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.75 2pan s PRO 420 CO 0.92 -0.35 1.43 1.28 0.04 0.00 0.00 177.00 180.32 2pan n LEU 421 N 4.97 4.83 0.00 -3.56 4.77 -1.26 -2.45 117.00 124.30 2pan n LEU 421 Ca 0.10 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 2pan n LEU 421 Cb 0.48 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2pan n LEU 421 CO 0.54 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2pan n GLY 422 N 0.56 0.06 0.26 -0.72 0.00 -1.23 -4.88 105.19 99.25 2pan n GLY 422 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2pan n GLY 422 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2pan h TRP 423 N 0.00 0.73 0.11 1.61 7.01 -1.77 -3.37 115.95 120.27 2pan h TRP 423 Ca 0.00 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.86 2pan h TRP 423 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2pan h TRP 423 CO 0.00 0.77 -0.05 1.15 -2.79 0.00 0.00 178.44 177.52 2pan h THR 424 N 0.60 0.89 0.92 2.65 2.02 -1.89 -1.37 112.91 116.73 2pan h THR 424 Ca 0.10 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 2pan h THR 424 Cb 0.59 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2pan h THR 424 CO 0.04 0.00 -0.44 0.40 0.37 0.00 0.00 175.52 175.89 2pan h ILE 425 N -0.15 0.10 -0.95 3.11 2.04 -1.92 -1.14 117.51 118.60 2pan h ILE 425 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2pan h ILE 425 Cb 0.12 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 2pan h ILE 425 CO 0.03 0.00 0.56 1.55 0.00 0.00 0.00 178.15 180.29 2pan h PRO 426 N -1.24 1.29 -0.59 2.37 0.13 -1.76 -1.81 132.00 130.39 2pan h PRO 426 Ca -0.13 -0.12 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2pan h PRO 426 Cb 0.95 -0.27 -0.05 0.00 0.13 0.00 0.00 31.00 31.76 2pan h PRO 426 CO 0.21 0.91 0.32 0.00 -0.23 0.00 0.00 178.00 179.20 2pan h ALA 427 N 1.31 0.77 -0.38 -0.56 0.00 -1.19 0.13 119.26 119.34 2pan h ALA 427 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2pan h ALA 427 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2pan h ALA 427 CO -0.06 -0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.34 2pan h ALA 428 N 1.31 0.45 -0.54 0.00 0.00 -0.82 -1.76 119.26 117.90 2pan h ALA 428 Ca 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2pan h ALA 428 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pan h ALA 428 CO -0.17 -0.21 0.23 -0.07 0.00 0.00 0.00 179.25 179.03 2pan h LEU 429 N 0.34 0.69 -0.73 0.00 3.38 -0.58 -1.67 115.31 116.74 2pan h LEU 429 Ca 0.16 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2pan h LEU 429 Cb 0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2pan h LEU 429 CO -0.14 0.61 0.11 1.23 0.09 0.00 0.00 178.44 180.35 2pan h GLY 430 N 0.88 1.16 0.94 0.83 0.00 -0.55 -1.33 103.07 105.00 2pan h GLY 430 Ca 0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 2pan h GLY 430 CO -0.02 0.71 0.13 -2.08 0.00 0.00 0.00 176.54 175.27 2pan h VAL 431 N 1.01 1.22 -0.75 4.60 2.07 -0.88 -1.60 116.25 121.92 2pan h VAL 431 Ca 0.20 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2pan h VAL 431 Cb 0.43 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2pan h VAL 431 CO 0.01 0.25 0.34 0.00 0.02 0.00 0.00 177.57 178.20 2pan h ALA 433 N 1.31 1.10 -0.04 0.00 0.00 -1.15 -2.69 119.26 117.80 2pan h ALA 433 Ca 0.26 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2pan h ALA 433 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pan h ALA 433 CO -0.03 0.58 -0.57 0.00 0.00 0.00 0.00 179.25 179.23 2pan h ALA 434 N 1.35 0.98 -1.61 0.00 0.00 -0.55 -3.42 119.26 116.01 2pan h ALA 434 Ca 0.03 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 2pan h ALA 434 Cb 0.79 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.22 2pan h ALA 434 CO 0.06 0.71 -0.56 0.34 0.00 0.00 0.00 179.25 179.80 2pan s ASP 435 N -6.88 0.16 0.29 0.00 2.15 -0.23 -5.02 116.67 107.13 2pan s ASP 435 Ca -0.03 -0.87 0.20 0.00 0.43 0.00 0.00 52.55 52.28 2pan s ASP 435 Cb 0.13 1.14 1.07 0.00 -0.30 0.00 0.00 42.92 44.95 2pan s ASP 435 CO 0.77 -0.28 1.61 -2.65 -0.17 0.00 0.00 175.17 174.46 2pan n PRO 436 N 4.76 0.13 0.03 4.34 -0.02 -1.03 -1.61 135.00 141.60 2pan n PRO 436 Ca 0.07 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2pan n PRO 436 Cb 0.50 -1.92 0.23 0.00 -0.02 0.00 0.00 33.50 32.29 2pan n PRO 436 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pan n LYS 437 N -2.19 0.17 -2.22 -0.52 4.76 -1.26 -4.93 118.16 111.96 2pan n LYS 437 Ca -0.01 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 2pan n LYS 437 Cb 0.05 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 2pan n LYS 437 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2pan s ARG 438 N -3.10 4.34 -1.33 1.97 6.06 -0.63 -4.92 118.95 121.34 2pan s ARG 438 Ca 0.08 2.01 -0.15 0.00 -2.50 0.00 0.00 55.73 55.17 2pan s ARG 438 Cb 0.15 -3.31 0.09 0.00 0.06 0.00 0.00 34.95 31.94 2pan s ARG 438 CO 0.70 -0.42 1.83 -1.71 -2.50 0.00 0.00 175.30 173.20 2pan n ASN 439 N 4.12 4.72 -4.70 -2.12 5.15 -1.26 -4.97 115.26 116.20 2pan n ASN 439 Ca 0.11 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.75 2pan n ASN 439 Cb 0.43 -1.67 -0.04 0.00 -0.53 0.00 0.00 39.78 37.97 2pan n ASN 439 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pan s VAL 440 N 3.18 4.92 -0.07 3.44 1.01 -1.26 -1.37 120.40 130.23 2pan s VAL 440 Ca 0.49 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 64.28 2pan s VAL 440 Cb 0.06 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2pan s VAL 440 CO 0.02 0.15 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 2pan s VAL 441 N 1.22 0.58 0.06 2.92 1.01 0.21 -2.61 120.40 123.77 2pan s VAL 441 Ca 0.45 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2pan s VAL 441 Cb -0.19 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2pan s VAL 441 CO 0.22 0.28 0.13 0.00 0.00 0.00 0.00 175.10 175.72 2pan s ALA 442 N 1.62 3.74 -0.11 5.51 0.00 0.08 -1.44 121.76 131.16 2pan s ALA 442 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2pan s ALA 442 Cb -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2pan s ALA 442 CO -0.04 0.77 -0.23 0.42 0.00 0.00 0.00 175.76 176.68 2pan s ILE 443 N -1.40 2.01 0.03 0.00 1.09 -0.36 0.07 121.20 122.64 2pan s ILE 443 Ca 0.30 -0.98 -0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2pan s ILE 443 Cb -0.12 -1.76 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 2pan s ILE 443 CO 0.23 0.55 -0.03 -0.44 -0.10 0.00 0.00 174.94 175.14 2pan s SER 444 N 0.53 0.34 0.76 3.58 0.01 -0.44 -4.42 113.70 114.05 2pan s SER 444 Ca -0.14 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 56.41 2pan s SER 444 Cb -0.17 0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.27 2pan s SER 444 CO 0.05 -0.37 1.09 -0.83 0.41 0.00 0.00 173.24 173.59 2pan s GLY 445 N -1.82 1.70 0.27 3.44 0.00 -1.26 -0.92 107.32 108.73 2pan s GLY 445 Ca -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.60 2pan s GLY 445 CO -0.03 -0.52 1.79 1.29 0.00 0.00 0.00 173.10 175.63 2pan h ASP 446 N -0.83 0.74 -0.07 1.64 2.03 -1.86 -1.74 116.42 116.33 2pan h ASP 446 Ca -0.44 -0.16 -0.03 0.00 -0.73 0.00 0.00 57.03 55.67 2pan h ASP 446 Cb 1.30 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2pan h ASP 446 CO 0.55 0.78 -0.08 0.15 -1.03 0.00 0.00 179.24 179.62 2pan h PHE 447 N 0.74 0.21 -0.66 4.15 3.57 -1.93 -2.36 116.94 120.65 2pan h PHE 447 Ca 0.15 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2pan h PHE 447 Cb 0.39 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 2pan h PHE 447 CO 0.02 0.63 0.34 0.22 -2.23 0.00 0.00 178.31 177.29 2pan h ASP 448 N -0.28 0.47 -0.76 0.41 3.58 -1.90 -2.31 116.42 115.64 2pan h ASP 448 Ca 0.01 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.56 2pan h ASP 448 Cb 0.60 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.56 2pan h ASP 448 CO 0.02 0.29 0.50 0.15 -2.88 0.00 0.00 179.24 177.32 2pan h PHE 449 N 0.61 0.84 0.09 0.28 3.57 -1.23 -3.13 116.94 117.97 2pan h PHE 449 Ca 0.31 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.57 2pan h PHE 449 Cb 0.26 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.72 2pan h PHE 449 CO -0.10 0.46 -1.15 1.96 -2.23 0.00 0.00 178.31 177.25 2pan h GLN 450 N 0.85 0.34 -0.77 1.11 4.20 -0.87 -3.14 115.11 116.82 2pan h GLN 450 Ca 0.32 -0.49 0.13 0.00 0.06 0.00 0.00 58.65 58.67 2pan h GLN 450 Cb 0.18 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.00 2pan h GLN 450 CO -0.10 1.19 -0.36 0.74 -0.67 0.00 0.00 178.83 179.63 2pan h PHE 451 N 0.13 -0.99 -1.05 2.96 -1.00 -1.43 -2.77 116.94 112.79 2pan h PHE 451 Ca -0.12 0.09 -0.50 0.00 2.81 0.00 0.00 57.97 60.25 2pan h PHE 451 Cb 1.85 0.55 -0.42 0.00 3.61 0.00 0.00 35.95 41.54 2pan h PHE 451 CO 0.07 -0.39 -0.88 1.28 -1.61 0.00 0.00 178.31 176.77 2pan n LEU 452 N -5.45 3.89 0.23 1.54 4.77 -1.26 -4.90 117.00 115.82 2pan n LEU 452 Ca 0.07 -4.56 0.07 0.00 -0.03 0.00 0.00 56.01 51.56 2pan n LEU 452 Cb 0.38 -0.17 0.61 0.00 -2.33 0.00 0.00 43.42 41.91 2pan n LEU 452 CO -0.06 1.94 1.07 -0.29 -1.33 0.00 0.00 177.39 178.73 2pan h ILE 453 N 2.89 1.02 0.00 -0.08 2.10 -1.44 -2.66 117.51 119.34 2pan h ILE 453 Ca 0.21 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 66.09 2pan h ILE 453 Cb 1.20 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2pan h ILE 453 CO 0.68 0.02 0.00 1.05 -1.08 0.00 0.00 178.15 178.82 2pan h GLU 454 N 0.06 0.00 0.00 2.19 9.09 -1.89 -2.77 114.58 121.26 2pan h GLU 454 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2pan h GLU 454 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 2pan h GLU 454 CO -0.00 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.99 2pan h GLU 455 N 0.00 0.00 -0.87 1.06 4.39 -1.81 -1.58 114.58 115.77 2pan h GLU 455 Ca 0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 2pan h GLU 455 Cb 0.29 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 2pan h GLU 455 CO 0.00 0.00 0.56 -0.07 -1.16 0.00 0.00 179.01 178.34 2pan h LEU 456 N 0.00 0.56 -1.87 1.33 3.38 -1.72 -1.58 115.31 115.41 2pan h LEU 456 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pan h LEU 456 Cb 0.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2pan h LEU 456 CO 0.00 0.28 -0.08 0.00 0.09 0.00 0.00 178.44 178.73 2pan h ALA 457 N 1.61 1.11 -0.27 1.53 0.00 -1.40 -1.24 119.26 120.60 2pan h ALA 457 Ca 0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2pan h ALA 457 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2pan h ALA 457 CO -0.19 0.09 -0.01 0.28 0.00 0.00 0.00 179.25 179.43 2pan h VAL 458 N 0.00 1.26 0.00 0.00 2.07 -1.44 0.14 116.25 118.27 2pan h VAL 458 Ca -0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2pan h VAL 458 Cb 0.38 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2pan h VAL 458 CO 0.01 0.30 -0.03 1.23 0.02 0.00 0.00 177.57 179.10 2pan h GLY 459 N 0.26 0.00 0.21 2.17 0.00 -1.17 -2.03 103.07 102.51 2pan h GLY 459 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2pan h GLY 459 CO 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.11 2pan h ALA 460 N 1.97 0.02 0.68 3.60 0.00 -1.19 -2.14 119.26 122.21 2pan h ALA 460 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2pan h ALA 460 Cb 0.05 0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2pan h ALA 460 CO 0.00 0.23 -0.33 0.37 0.00 0.00 0.00 179.25 179.53 2pan h GLN 461 N -0.80 -0.88 -6.67 0.00 4.15 -0.84 -3.39 115.11 106.70 2pan h GLN 461 Ca -0.10 0.06 -0.50 0.00 0.77 0.00 0.00 58.65 58.88 2pan h GLN 461 Cb 1.25 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 29.11 2pan h GLN 461 CO 0.02 -0.58 0.10 -0.06 -1.93 0.00 0.00 178.83 176.37 2pan s PHE 462 N -5.96 3.47 -1.15 3.99 0.40 -0.77 -4.99 117.98 112.95 2pan s PHE 462 Ca -0.18 1.27 -0.10 0.00 -0.60 0.00 0.00 56.93 57.32 2pan s PHE 462 Cb 0.03 -2.56 0.24 0.00 0.51 0.00 0.00 43.02 41.25 2pan s PHE 462 CO 0.61 0.18 1.24 0.09 0.70 0.00 0.00 175.22 178.04 2pan n ASN 463 N 0.01 5.45 -4.13 1.36 4.13 -1.26 -4.34 115.26 116.48 2pan n ASN 463 Ca 0.01 -3.03 -0.38 0.00 1.68 0.00 0.00 54.58 52.87 2pan n ASN 463 Cb 0.52 -1.44 -0.10 0.00 -1.54 0.00 0.00 39.78 37.23 2pan n ASN 463 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pan s ILE 464 N -0.40 3.77 0.17 2.41 1.01 -0.80 -4.84 121.20 122.51 2pan s ILE 464 Ca 0.35 -2.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.25 2pan s ILE 464 Cb -0.07 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 2pan s ILE 464 CO -0.05 -0.82 0.71 -2.16 0.00 0.00 0.00 174.94 172.62 2pan s PRO 465 N 0.46 4.38 0.24 2.79 0.04 -1.26 -3.72 135.00 137.93 2pan s PRO 465 Ca 0.13 0.96 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 2pan s PRO 465 Cb -0.21 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.26 2pan s PRO 465 CO -0.04 0.52 0.88 1.52 0.04 0.00 0.00 177.00 179.92 2pan s TYR 466 N -1.28 -0.05 -0.18 0.56 -0.85 -1.26 -4.89 117.35 109.40 2pan s TYR 466 Ca 0.37 -0.40 -0.04 0.00 -0.52 0.00 0.00 57.07 56.48 2pan s TYR 466 Cb -0.20 0.72 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 2pan s TYR 466 CO 0.23 -1.12 -0.02 0.42 -1.52 0.00 0.00 175.55 173.54 2pan s ILE 467 N -3.01 3.90 -0.30 -3.49 1.01 -1.07 -1.44 121.20 116.79 2pan s ILE 467 Ca 0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2pan s ILE 467 Cb -0.04 -2.74 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2pan s ILE 467 CO 0.06 0.46 0.03 -2.28 0.00 0.00 0.00 174.94 173.20 2pan s HIS 468 N 0.73 3.21 -0.24 3.97 2.46 -0.38 -0.74 115.29 124.31 2pan s HIS 468 Ca -0.01 -1.58 -0.23 0.00 0.47 0.00 0.00 55.06 53.70 2pan s HIS 468 Cb -0.14 -2.16 -0.01 0.00 -0.13 0.00 0.00 32.58 30.14 2pan s HIS 468 CO 0.02 -0.74 0.77 0.08 -2.47 0.00 0.00 174.74 172.40 2pan s VAL 469 N 1.34 4.88 -0.28 0.89 1.01 0.11 -0.67 120.40 127.68 2pan s VAL 469 Ca -0.02 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 2pan s VAL 469 Cb -0.19 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2pan s VAL 469 CO -0.00 -0.03 -0.02 -0.22 0.00 0.00 0.00 175.10 174.83 2pan s LEU 470 N 2.67 3.56 -0.40 3.92 0.20 0.21 -1.33 118.68 127.51 2pan s LEU 470 Ca 0.33 -1.00 -0.14 0.00 0.69 0.00 0.00 54.13 54.00 2pan s LEU 470 Cb -0.15 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2pan s LEU 470 CO 0.08 -0.19 0.28 0.68 -0.29 0.00 0.00 176.35 176.92 2pan s VAL 471 N 1.32 5.23 -0.30 1.68 -7.23 -0.10 -0.46 120.40 120.54 2pan s VAL 471 Ca -0.02 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2pan s VAL 471 Cb -0.18 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 32.91 2pan s VAL 471 CO -0.02 -0.25 0.08 0.21 -0.31 0.00 0.00 175.10 174.81 2pan s ASN 472 N 1.68 5.14 -0.01 4.85 3.84 -0.39 -3.30 114.94 126.76 2pan s ASN 472 Ca 0.05 -0.79 0.04 0.00 0.21 0.00 0.00 52.86 52.36 2pan s ASN 472 Cb -0.19 -1.87 0.10 0.00 -0.55 0.00 0.00 41.25 38.73 2pan s ASN 472 CO 0.10 -0.22 1.08 -0.46 -2.79 0.00 0.00 177.10 174.81 2pan n ASN 473 N 4.85 2.27 -4.07 -4.21 0.23 -1.26 -0.86 115.26 112.22 2pan n ASN 473 Ca -0.14 -2.06 -0.33 0.00 -0.53 0.00 0.00 54.58 51.53 2pan n ASN 473 Cb 0.47 -0.08 -0.00 0.00 -2.08 0.00 0.00 39.78 38.09 2pan n ASN 473 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pan n ALA 474 N -0.28 -1.37 -3.23 -2.53 0.00 -1.26 -4.68 120.51 107.17 2pan n ALA 474 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2pan n ALA 474 Cb 0.32 -3.62 -0.08 0.00 0.00 0.00 0.00 19.45 16.06 2pan n ALA 474 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pan s TYR 475 N -3.37 -0.21 -1.15 0.00 1.51 -1.26 -1.57 117.35 111.30 2pan s TYR 475 Ca 0.62 0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 56.77 2pan s TYR 475 Cb -0.33 0.12 0.08 0.00 -0.11 0.00 0.00 41.96 41.72 2pan s TYR 475 CO 0.88 -0.42 1.55 -0.51 -1.11 0.00 0.00 175.55 175.94 2pan s LEU 476 N -1.43 3.93 0.10 -1.29 1.43 0.10 -4.64 118.68 116.88 2pan s LEU 476 Ca -0.12 -2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 50.59 2pan s LEU 476 Cb -0.04 -2.54 -0.12 0.00 0.03 0.00 0.00 46.19 43.51 2pan s LEU 476 CO 0.04 -1.25 1.63 1.23 0.23 0.00 0.00 176.35 178.23 2pan h GLY 477 N 12.19 -0.69 0.87 -3.19 0.00 -1.96 -1.20 103.07 109.09 2pan h GLY 477 Ca 0.32 0.35 0.04 0.00 0.00 0.00 0.00 47.33 48.03 2pan h GLY 477 CO 1.40 -0.27 0.57 -2.00 0.00 0.00 0.00 176.54 176.24 2pan h LEU 478 N -0.63 0.94 -0.23 3.11 5.85 -1.92 -1.54 115.31 120.90 2pan h LEU 478 Ca -0.01 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2pan h LEU 478 Cb 0.58 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2pan h LEU 478 CO -0.07 0.65 -0.30 0.40 -0.34 0.00 0.00 178.44 178.78 2pan h ILE 479 N 1.10 1.32 -0.56 4.05 1.08 -1.94 -1.03 117.51 121.53 2pan h ILE 479 Ca 0.35 -1.50 0.11 0.00 -0.39 0.00 0.00 64.86 63.43 2pan h ILE 479 Cb 0.01 1.76 -0.08 0.00 -3.07 0.00 0.00 36.82 35.44 2pan h ILE 479 CO -0.12 0.47 0.08 -0.09 -0.69 0.00 0.00 178.15 177.80 2pan h ARG 480 N 0.30 0.20 -0.68 2.37 2.43 -0.89 0.00 114.38 118.11 2pan h ARG 480 Ca 0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2pan h ARG 480 Cb 0.88 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2pan h ARG 480 CO 0.07 0.13 0.35 0.37 -1.51 0.00 0.00 179.97 179.38 2pan h GLN 481 N 0.21 0.96 0.00 0.20 4.15 -1.01 -2.55 115.11 117.07 2pan h GLN 481 Ca 0.29 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2pan h GLN 481 Cb 0.43 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2pan h GLN 481 CO -0.41 0.74 -0.17 0.66 -1.93 0.00 0.00 178.83 177.73 2pan h SER 482 N 0.93 0.00 0.70 -0.69 4.64 -0.42 -2.66 113.55 116.05 2pan h SER 482 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2pan h SER 482 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pan h SER 482 CO -0.03 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2pan n GLN 483 N -3.51 0.13 -0.30 4.77 6.02 -0.09 -3.58 117.38 120.82 2pan n GLN 483 Ca -0.01 0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 57.05 2pan n GLN 483 Cb 0.32 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.20 2pan n GLN 483 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pan h ARG 484 N 0.00 0.94 -0.05 -1.09 3.08 -1.48 -1.55 114.38 114.23 2pan h ARG 484 Ca 0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2pan h ARG 484 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2pan h ARG 484 CO 0.00 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.56 2pan h ALA 485 N 1.37 1.93 -0.40 0.04 0.00 -1.79 -0.04 119.26 120.38 2pan h ALA 485 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pan h ALA 485 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pan h ALA 485 CO -0.15 -0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.23 2pan n PHE 486 N -4.35 0.53 -3.27 0.00 3.01 -0.63 -5.23 117.46 107.51 2pan n PHE 486 Ca -0.02 -0.26 -0.14 0.00 1.01 0.00 0.00 57.45 58.04 2pan n PHE 486 Cb 0.14 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 2pan n PHE 486 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2pan n ASP 487 N 1.02 -6.72 -3.17 4.37 4.64 -0.03 -5.11 116.55 111.56 2pan n ASP 487 Ca 0.18 -0.62 0.02 0.00 -1.38 0.00 0.00 54.79 53.00 2pan n ASP 487 Cb 0.47 -4.96 -0.01 0.00 -1.04 0.00 0.00 41.12 35.58 2pan n ASP 487 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2pan s ASP 489 N -3.31 -1.50 -0.14 1.67 -1.08 -1.26 -5.05 116.67 106.00 2pan s ASP 489 Ca 0.36 -0.36 -0.04 0.00 -0.52 0.00 0.00 52.55 51.99 2pan s ASP 489 Cb -0.06 1.92 0.07 0.00 -1.46 0.00 0.00 42.92 43.39 2pan s ASP 489 CO 0.76 -0.21 0.20 -0.47 0.52 0.00 0.00 175.17 175.97 2pan s TYR 490 N 2.26 -0.25 -1.40 -5.34 5.04 -1.26 -4.85 117.35 111.55 2pan s TYR 490 Ca 0.14 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2pan s TYR 490 Cb -0.06 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.99 2pan s TYR 490 CO -0.15 -0.41 0.00 0.00 -1.34 0.00 0.00 175.55 173.65 2pan n VAL 492 N -3.61 0.00 -3.56 0.00 0.24 -1.26 -5.00 118.33 105.15 2pan n VAL 492 Ca -0.17 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.25 2pan n VAL 492 Cb 0.60 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 2pan n VAL 492 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2pan s GLN 493 N -0.09 3.85 0.00 7.34 -0.21 -1.26 0.02 119.66 129.31 2pan s GLN 493 Ca 0.00 0.32 0.09 0.00 0.02 0.00 0.00 55.36 55.79 2pan s GLN 493 Cb 0.00 -3.22 0.11 0.00 1.00 0.00 0.00 33.01 30.90 2pan s GLN 493 CO 0.01 0.69 0.88 1.28 -2.12 0.00 0.00 175.29 176.03 2pan n LEU 494 N 1.91 1.98 -4.76 2.90 4.77 -0.61 -4.94 117.00 118.25 2pan n LEU 494 Ca -0.15 -1.24 -0.40 0.00 -0.03 0.00 0.00 56.01 54.19 2pan n LEU 494 Cb 0.53 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2pan n LEU 494 CO 0.36 0.42 0.83 0.00 -1.33 0.00 0.00 177.39 177.67 2pan s ALA 495 N -0.80 3.42 0.18 -1.18 0.00 -1.23 -4.58 121.76 117.58 2pan s ALA 495 Ca 0.12 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 2pan s ALA 495 Cb 0.08 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.90 2pan s ALA 495 CO 0.11 -0.25 0.59 -0.59 0.00 0.00 0.00 175.76 175.63 2pan s PHE 496 N -1.06 -0.39 -0.51 0.00 -0.12 -1.11 -4.87 117.98 109.92 2pan s PHE 496 Ca 0.46 0.11 -0.28 0.00 -0.05 0.00 0.00 56.93 57.17 2pan s PHE 496 Cb -0.33 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.61 2pan s PHE 496 CO 0.42 -0.91 1.40 -1.21 -0.05 0.00 0.00 175.22 174.87 2pan s GLU 497 N -3.80 3.41 -0.20 1.99 0.41 -1.26 -1.96 118.70 117.28 2pan s GLU 497 Ca 0.04 0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 54.91 2pan s GLU 497 Cb -0.02 -4.08 -0.02 0.00 -1.78 0.00 0.00 34.13 28.23 2pan s GLU 497 CO -0.08 -1.80 1.47 1.21 -0.49 0.00 0.00 175.26 175.57 2pan s ASN 498 N 4.16 6.62 0.11 -0.19 3.84 -1.26 -4.88 114.94 123.34 2pan s ASN 498 Ca 0.55 1.63 0.16 0.00 0.21 0.00 0.00 52.86 55.41 2pan s ASN 498 Cb -0.11 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.75 2pan s ASN 498 CO 0.28 -1.05 1.49 2.30 -2.79 0.00 0.00 177.10 177.33 2pan n ILE 499 N 5.99 1.09 0.70 -5.21 -5.35 -1.26 -1.96 119.36 113.35 2pan n ILE 499 Ca 0.16 0.32 0.08 0.00 -0.27 0.00 0.00 62.75 63.04 2pan n ILE 499 Cb 0.45 -1.18 0.01 0.00 -1.74 0.00 0.00 39.64 37.18 2pan n ILE 499 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2pan n ASN 500 N -1.80 1.71 -3.37 7.28 5.03 -1.26 -4.93 115.26 117.92 2pan n ASN 500 Ca 0.02 -1.35 -0.16 0.00 0.87 0.00 0.00 54.58 53.95 2pan n ASN 500 Cb 0.15 0.40 -0.08 0.00 -1.02 0.00 0.00 39.78 39.23 2pan n ASN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2pan s SER 501 N -1.79 1.28 0.26 6.41 0.01 -0.83 -4.98 113.70 114.07 2pan s SER 501 Ca 0.14 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.27 2pan s SER 501 Cb 0.13 0.59 0.34 0.00 0.21 0.00 0.00 66.02 67.29 2pan s SER 501 CO 0.37 -0.32 1.65 0.28 0.41 0.00 0.00 173.24 175.63 2pan h SER 502 N 7.62 0.41 -1.01 2.44 0.02 -1.92 -3.30 113.55 117.80 2pan h SER 502 Ca -0.03 -0.18 0.25 0.00 -0.84 0.00 0.00 61.79 61.00 2pan h SER 502 Cb 1.07 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 2pan h SER 502 CO 0.26 0.77 0.67 -0.33 -1.14 0.00 0.00 176.83 177.06 2pan h GLU 503 N 0.32 0.33 -0.00 3.45 3.07 -1.95 0.91 114.58 120.71 2pan h GLU 503 Ca 0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2pan h GLU 503 Cb 0.86 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2pan h GLU 503 CO 0.07 0.22 -0.01 1.33 -1.40 0.00 0.00 179.01 179.21 2pan n VAL 504 N -4.53 0.00 -3.81 3.13 0.24 -1.24 -4.95 118.33 107.16 2pan n VAL 504 Ca 0.23 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.34 62.27 2pan n VAL 504 Cb 0.87 -0.40 0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2pan n VAL 504 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pan n ASN 505 N -1.04 -1.47 -0.77 -1.34 3.02 0.31 -1.84 115.26 112.13 2pan n ASN 505 Ca 0.19 -0.87 -0.10 0.00 -0.03 0.00 0.00 54.58 53.77 2pan n ASN 505 Cb 0.19 -3.73 -0.04 0.00 -0.61 0.00 0.00 39.78 35.58 2pan n ASN 505 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pan n GLY 506 N -1.69 1.15 0.02 7.41 0.00 -1.26 -4.88 105.19 105.93 2pan n GLY 506 Ca -0.25 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.42 2pan n GLY 506 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pan n TYR 507 N -2.67 0.17 0.00 1.61 4.02 -0.76 -2.76 117.16 116.77 2pan n TYR 507 Ca -0.10 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2pan n TYR 507 Cb 0.35 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 2pan n TYR 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pan n GLY 508 N 1.46 0.95 3.74 2.72 0.00 -0.83 -4.32 105.19 108.92 2pan n GLY 508 Ca 0.07 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2pan n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pan s VAL 509 N 0.00 2.67 -0.83 1.61 1.01 -1.26 -4.47 120.40 119.13 2pan s VAL 509 Ca 0.00 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 2pan s VAL 509 Cb 0.00 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 33.18 2pan s VAL 509 CO 0.00 0.09 0.92 -0.62 0.00 0.00 0.00 175.10 175.49 2pan s ASP 510 N 0.36 6.60 0.46 3.32 -1.08 -1.26 -4.91 116.67 120.16 2pan s ASP 510 Ca 0.59 -2.17 0.20 0.00 -0.52 0.00 0.00 52.55 50.65 2pan s ASP 510 Cb -0.42 -2.31 1.11 0.00 -1.46 0.00 0.00 42.92 39.84 2pan s ASP 510 CO 0.43 -0.89 1.97 0.45 0.52 0.00 0.00 175.17 177.65 2pan h HIS 511 N 8.51 0.00 0.03 -5.34 3.86 -1.99 -2.08 115.15 118.13 2pan h HIS 511 Ca 0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2pan h HIS 511 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2pan h HIS 511 CO 1.06 0.21 -0.01 0.28 0.86 0.00 0.00 177.93 180.33 2pan h VAL 512 N 0.00 1.15 -0.71 2.45 2.07 -1.95 -0.29 116.25 118.97 2pan h VAL 512 Ca -0.00 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2pan h VAL 512 Cb 0.45 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2pan h VAL 512 CO 0.03 0.14 0.31 0.11 0.02 0.00 0.00 177.57 178.18 2pan h LYS 513 N -0.28 1.05 -0.26 1.57 1.57 -1.93 -1.25 116.57 117.04 2pan h LYS 513 Ca -0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2pan h LYS 513 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2pan h LYS 513 CO 0.01 0.85 0.11 0.28 -0.57 0.00 0.00 179.45 180.12 2pan h VAL 514 N 1.01 1.17 -0.71 0.50 2.07 -1.35 -1.26 116.25 117.67 2pan h VAL 514 Ca 0.24 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2pan h VAL 514 Cb 0.17 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2pan h VAL 514 CO -0.02 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.05 2pan h ALA 515 N 0.95 0.92 -0.44 1.67 0.00 -0.91 -1.73 119.26 119.72 2pan h ALA 515 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2pan h ALA 515 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pan h ALA 515 CO -0.01 0.52 -0.12 0.93 0.00 0.00 0.00 179.25 180.57 2pan h GLU 516 N 1.01 0.87 -0.41 0.00 5.08 -1.14 -1.29 114.58 118.69 2pan h GLU 516 Ca 0.24 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2pan h GLU 516 Cb 0.17 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2pan h GLU 516 CO -0.02 0.98 0.25 0.78 -1.00 0.00 0.00 179.01 179.99 2pan h GLY 517 N 0.70 0.59 0.96 -3.84 0.00 -1.05 -1.33 103.07 99.10 2pan h GLY 517 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2pan h GLY 517 CO 0.05 0.23 0.00 1.04 0.00 0.00 0.00 176.54 177.85 2pan n LEU 518 N -4.45 0.00 0.00 3.11 4.77 -0.67 -4.89 117.00 114.87 2pan n LEU 518 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2pan n LEU 518 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pan n LEU 518 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2pan n GLY 519 N 0.84 0.94 3.95 -0.72 0.00 -0.50 -3.92 105.19 105.78 2pan n GLY 519 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2pan n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pan s LYS 521 N -4.39 2.82 -0.16 0.00 -0.14 -1.10 -3.96 119.74 112.81 2pan s LYS 521 Ca 0.47 -0.83 -0.17 0.00 -1.36 0.00 0.00 55.97 54.08 2pan s LYS 521 Cb -0.04 -2.64 0.05 0.00 -1.68 0.00 0.00 37.83 33.52 2pan s LYS 521 CO 0.29 0.51 0.47 0.00 -0.76 0.00 0.00 175.35 175.86 2pan s ALA 522 N -1.59 -1.17 -0.03 5.17 0.00 -1.26 -0.78 121.76 122.11 2pan s ALA 522 Ca 0.30 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.54 2pan s ALA 522 Cb -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2pan s ALA 522 CO 0.22 -0.23 -0.10 0.42 0.00 0.00 0.00 175.76 176.06 2pan s ILE 523 N 0.05 0.87 -0.09 0.00 1.01 0.31 -4.95 121.20 118.39 2pan s ILE 523 Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2pan s ILE 523 Cb -0.03 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2pan s ILE 523 CO 0.01 0.26 -0.02 -0.60 0.00 0.00 0.00 174.94 174.60 2pan s ARG 524 N 0.12 3.04 -0.10 2.79 3.52 -1.26 -0.24 118.95 126.81 2pan s ARG 524 Ca -0.02 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2pan s ARG 524 Cb -0.08 -2.77 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 2pan s ARG 524 CO 0.01 0.63 -0.14 0.08 -0.81 0.00 0.00 175.30 175.06 2pan s VAL 525 N -0.69 1.42 -0.11 7.11 1.01 0.51 -4.97 120.40 124.68 2pan s VAL 525 Ca 0.11 -0.60 0.17 0.00 0.00 0.00 0.00 61.98 61.66 2pan s VAL 525 Cb -0.12 -1.30 -0.25 0.00 0.00 0.00 0.00 36.38 34.71 2pan s VAL 525 CO 0.02 0.42 0.21 0.49 0.00 0.00 0.00 175.10 176.25 2pan n PHE 526 N 4.19 0.00 -4.74 5.22 3.72 -1.26 -1.60 117.46 122.99 2pan n PHE 526 Ca -0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 2pan n PHE 526 Cb 0.51 -0.68 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 2pan n PHE 526 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pan s LYS 527 N -2.81 1.77 0.32 -1.08 1.02 -1.26 -4.39 119.74 113.31 2pan s LYS 527 Ca -0.08 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.80 2pan s LYS 527 Cb 0.08 -2.01 0.54 0.00 -0.52 0.00 0.00 37.83 35.93 2pan s LYS 527 CO 0.75 0.50 1.87 -1.35 -0.92 0.00 0.00 175.35 176.20 2pan h PRO 528 N 4.53 0.65 0.00 -1.68 0.11 -1.87 -2.04 132.00 131.70 2pan h PRO 528 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2pan h PRO 528 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pan h PRO 528 CO 0.43 0.61 0.00 1.05 -0.21 0.00 0.00 178.00 179.89 2pan h GLU 529 N 0.63 0.00 -0.00 1.05 9.09 -1.95 -2.65 114.58 120.74 2pan h GLU 529 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 2pan h GLU 529 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2pan h GLU 529 CO 0.00 0.00 -0.10 -0.25 0.05 0.00 0.00 179.01 178.72 2pan n ASP 530 N -2.65 0.54 -0.04 3.06 8.00 -0.77 -4.21 116.55 120.49 2pan n ASP 530 Ca 0.01 -0.71 -0.14 0.00 0.71 0.00 0.00 54.79 54.67 2pan n ASP 530 Cb 0.25 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.21 2pan n ASP 530 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2pan h ILE 531 N 0.70 1.41 0.03 0.53 2.04 -1.55 -2.63 117.51 118.04 2pan h ILE 531 Ca 0.00 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.40 2pan h ILE 531 Cb 0.34 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2pan h ILE 531 CO 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 178.15 178.47 2pan h ALA 532 N 0.48 -0.13 -0.78 1.87 0.00 -1.78 -2.07 119.26 116.86 2pan h ALA 532 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2pan h ALA 532 Cb 0.75 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2pan h ALA 532 CO 0.03 -0.59 0.51 -1.35 0.00 0.00 0.00 179.25 177.85 2pan h PRO 533 N -0.17 0.83 -0.59 0.00 0.11 -1.79 -2.61 132.00 127.78 2pan h PRO 533 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2pan h PRO 533 Cb 0.20 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 2pan h PRO 533 CO -0.07 0.55 0.34 0.00 -0.21 0.00 0.00 178.00 178.61 2pan h ALA 534 N 1.57 0.75 -0.52 -0.75 0.00 -1.04 -0.62 119.26 118.65 2pan h ALA 534 Ca 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2pan h ALA 534 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2pan h ALA 534 CO -0.11 0.25 0.15 0.74 0.00 0.00 0.00 179.25 180.28 2pan h PHE 535 N 0.79 0.80 -0.30 0.00 0.04 -1.03 0.19 116.94 117.42 2pan h PHE 535 Ca 0.21 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 2pan h PHE 535 Cb 0.01 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 2pan h PHE 535 CO -0.02 0.66 -0.14 0.93 -0.60 0.00 0.00 178.31 179.14 2pan h GLU 536 N 0.76 0.62 -0.59 1.51 4.39 -1.16 -1.95 114.58 118.17 2pan h GLU 536 Ca 0.17 -0.27 0.09 0.00 0.34 0.00 0.00 59.36 59.69 2pan h GLU 536 Cb 0.24 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 2pan h GLU 536 CO -0.01 0.85 0.23 0.37 -1.16 0.00 0.00 179.01 179.29 2pan h GLN 537 N 0.38 0.41 -0.54 2.33 4.15 -0.73 -2.41 115.11 118.70 2pan h GLN 537 Ca 0.07 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2pan h GLN 537 Cb 0.66 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 2pan h GLN 537 CO 0.04 0.27 0.34 0.00 -1.93 0.00 0.00 178.83 177.56 2pan h ALA 538 N 1.39 0.70 -0.64 3.38 0.00 -0.46 -1.40 119.26 122.23 2pan h ALA 538 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2pan h ALA 538 Cb 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2pan h ALA 538 CO -0.28 0.08 0.36 0.87 0.00 0.00 0.00 179.25 180.27 2pan h LYS 539 N 0.68 0.88 -0.16 0.00 1.57 -1.06 -2.93 116.57 115.56 2pan h LYS 539 Ca 0.21 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2pan h LYS 539 Cb -0.02 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 2pan h LYS 539 CO -0.08 0.64 -0.07 0.00 -0.57 0.00 0.00 179.45 179.38 2pan h ALA 540 N 1.50 0.22 0.00 3.86 0.00 -0.97 -2.95 119.26 120.92 2pan h ALA 540 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pan h ALA 540 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2pan h ALA 540 CO -0.04 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2pan n LEU 541 N -4.64 0.00 0.00 0.00 4.77 -0.57 -2.59 117.00 113.97 2pan n LEU 541 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2pan n LEU 541 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2pan n LEU 541 CO 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 2pan n ALA 543 N 0.97 0.00 0.03 -1.18 0.00 -1.12 -1.20 120.51 118.00 2pan n ALA 543 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2pan n ALA 543 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2pan n ALA 543 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pan h GLN 544 N 0.00 0.28 0.00 0.00 4.15 -1.81 -3.39 115.11 114.33 2pan h GLN 544 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2pan h GLN 544 Cb 0.00 0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2pan h GLN 544 CO 0.00 1.23 -1.35 0.66 -1.93 0.00 0.00 178.83 177.44 2pan n TYR 545 N -3.92 0.63 -3.39 3.99 4.02 -0.34 -5.00 117.16 113.15 2pan n TYR 545 Ca -0.23 0.18 -0.19 0.00 -0.01 0.00 0.00 57.90 57.66 2pan n TYR 545 Cb 0.91 -0.80 0.07 0.00 -0.02 0.00 0.00 39.34 39.51 2pan n TYR 545 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2pan n ARG 546 N -2.52 -6.60 -4.17 -0.72 5.12 -1.25 -5.02 116.66 101.49 2pan n ARG 546 Ca -0.01 0.72 -0.11 0.00 -1.93 0.00 0.00 57.85 56.52 2pan n ARG 546 Cb 0.56 -5.42 -0.10 0.00 -1.16 0.00 0.00 32.46 26.33 2pan n ARG 546 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pan s VAL 547 N -3.29 0.42 0.34 1.55 -7.23 -1.26 -3.61 120.40 107.32 2pan s VAL 547 Ca 0.38 -1.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 2pan s VAL 547 Cb -0.17 -1.91 -0.12 0.00 0.56 0.00 0.00 36.38 34.74 2pan s VAL 547 CO 0.63 -0.63 1.28 -2.65 -0.31 0.00 0.00 175.10 173.42 2pan n PRO 548 N -0.10 2.10 -4.04 4.82 -0.02 -1.24 -4.20 135.00 132.32 2pan n PRO 548 Ca -0.08 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 2pan n PRO 548 Cb 0.63 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 2pan n PRO 548 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pan s VAL 549 N -1.09 1.68 -0.16 -1.45 1.01 -0.52 -2.71 120.40 117.15 2pan s VAL 549 Ca 0.56 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2pan s VAL 549 Cb -0.57 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2pan s VAL 549 CO 0.62 0.43 0.39 -0.69 0.00 0.00 0.00 175.10 175.85 2pan s VAL 550 N 1.44 5.23 -0.37 2.92 1.01 0.04 -1.24 120.40 129.43 2pan s VAL 550 Ca 0.04 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 2pan s VAL 550 Cb -0.13 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.60 2pan s VAL 550 CO -0.11 0.32 0.14 -0.69 0.00 0.00 0.00 175.10 174.76 2pan s VAL 551 N 0.84 3.49 -0.18 2.92 1.01 0.15 -0.53 120.40 128.09 2pan s VAL 551 Ca 0.20 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 2pan s VAL 551 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2pan s VAL 551 CO 0.07 -0.40 0.48 -0.70 0.00 0.00 0.00 175.10 174.56 2pan s GLU 552 N 1.28 4.22 -0.21 2.72 2.12 0.67 -0.62 118.70 128.88 2pan s GLU 552 Ca 0.02 0.37 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 2pan s GLU 552 Cb -0.21 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2pan s GLU 552 CO -0.01 -0.06 -0.02 0.08 -0.54 0.00 0.00 175.26 174.71 2pan s VAL 553 N 1.35 3.70 -0.51 3.70 1.01 0.39 -0.36 120.40 129.68 2pan s VAL 553 Ca 0.23 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 2pan s VAL 553 Cb -0.15 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2pan s VAL 553 CO 0.09 0.43 1.12 -0.63 0.00 0.00 0.00 175.10 176.11 2pan s ILE 554 N 1.16 4.19 0.48 2.22 -1.09 -0.63 -1.26 121.20 126.28 2pan s ILE 554 Ca 0.02 1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 59.40 2pan s ILE 554 Cb -0.15 -4.62 -0.02 0.00 -1.58 0.00 0.00 42.46 36.09 2pan s ILE 554 CO 0.00 -1.10 0.77 -0.76 -1.23 0.00 0.00 174.94 172.62 2pan s LEU 555 N 4.50 3.60 0.62 2.97 1.43 -0.04 -3.19 118.68 128.57 2pan s LEU 555 Ca 0.44 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 2pan s LEU 555 Cb -0.08 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2pan s LEU 555 CO 0.28 -0.65 1.24 -1.83 0.23 0.00 0.00 176.35 175.63 2pan s GLU 556 N -4.72 2.76 0.15 1.70 -1.05 -0.09 -4.69 118.70 112.76 2pan s GLU 556 Ca 0.48 1.92 -0.13 0.00 -0.15 0.00 0.00 54.97 57.09 2pan s GLU 556 Cb -0.10 -1.89 0.03 0.00 -0.44 0.00 0.00 34.13 31.73 2pan s GLU 556 CO 0.43 -1.40 1.66 0.00 0.95 0.00 0.00 175.26 176.90 2pan h ARG 557 N 0.68 0.83 -4.54 -4.83 2.47 -1.92 -3.42 114.38 103.65 2pan h ARG 557 Ca -0.50 -0.20 -0.59 0.00 -1.26 0.00 0.00 59.98 57.42 2pan h ARG 557 Cb 1.31 -0.11 -0.37 0.00 -1.65 0.00 0.00 29.97 29.16 2pan h ARG 557 CO 0.54 0.80 -0.82 0.08 0.56 0.00 0.00 179.97 181.13 2pan s VAL 558 N -5.29 1.50 -0.04 2.04 1.01 -1.26 -4.88 120.40 113.48 2pan s VAL 558 Ca -0.13 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2pan s VAL 558 Cb 0.12 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 35.03 2pan s VAL 558 CO 0.80 0.33 0.01 -0.89 0.00 0.00 0.00 175.10 175.35 2pan s THR 559 N 1.49 0.14 -0.35 3.92 2.01 -1.26 -5.13 115.64 116.46 2pan s THR 559 Ca 0.03 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 2pan s THR 559 Cb -0.14 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 72.08 2pan s THR 559 CO -0.09 0.17 0.45 0.20 -0.69 0.00 0.00 174.62 174.66 2pan s ASN 560 N 1.42 6.26 0.27 3.53 0.02 -1.26 -5.02 114.94 120.16 2pan s ASN 560 Ca -0.04 -0.16 -0.20 0.00 -1.02 0.00 0.00 52.86 51.44 2pan s ASN 560 Cb -0.13 -2.24 -0.09 0.00 0.02 0.00 0.00 41.25 38.81 2pan s ASN 560 CO -0.03 -0.44 0.79 -0.63 0.02 0.00 0.00 177.10 176.81 2pan s ILE 561 N 2.24 4.50 0.39 0.60 -1.09 -1.26 -4.02 121.20 122.57 2pan s ILE 561 Ca 0.16 1.35 -0.27 0.00 -2.23 0.00 0.00 60.65 59.66 2pan s ILE 561 Cb -0.16 -3.83 -0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2pan s ILE 561 CO 0.13 0.09 1.36 -0.44 -1.23 0.00 0.00 174.94 174.85 2pan s SER 562 N -1.78 6.35 -0.10 3.58 0.01 -1.26 -4.85 113.70 115.65 2pan s SER 562 Ca 0.48 2.78 -0.31 0.00 1.31 0.00 0.00 55.95 60.21 2pan s SER 562 Cb -0.15 -2.65 0.11 0.00 0.21 0.00 0.00 66.02 63.54 2pan s SER 562 CO 0.20 -0.84 1.39 -0.83 0.41 0.00 0.00 173.24 173.57 2pan s GLY 564 N -0.53 -0.27 0.00 3.44 0.00 -0.78 -4.78 107.32 104.41 2pan s GLY 564 Ca 0.55 0.30 0.23 0.00 0.00 0.00 0.00 44.72 45.80 2pan s GLY 564 CO 0.54 5.81 1.13 -1.14 0.00 0.00 0.00 173.10 179.44 2pan n SER 565 N -0.91 1.43 -3.97 1.64 3.41 -1.26 -4.70 113.62 109.26 2pan n SER 565 Ca 0.04 -1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 2pan n SER 565 Cb 0.59 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 65.02 2pan n SER 565 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pan s GLU 566 N -2.69 0.62 0.39 4.33 0.41 -1.26 -4.39 118.70 116.10 2pan s GLU 566 Ca 0.15 -0.91 0.08 0.00 -0.41 0.00 0.00 54.97 53.87 2pan s GLU 566 Cb 0.18 0.23 0.83 0.00 -1.78 0.00 0.00 34.13 33.59 2pan s GLU 566 CO 0.67 -0.15 2.00 -0.07 -0.49 0.00 0.00 175.26 177.22 2pan h LEU 567 N 3.43 0.55 -2.28 1.80 3.38 -1.86 -1.72 115.31 118.62 2pan h LEU 567 Ca -0.33 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2pan h LEU 567 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2pan h LEU 567 CO 0.55 0.37 0.00 -0.90 0.09 0.00 0.00 178.44 178.55 2pan n ASP 568 N -4.47 3.44 0.00 -0.43 3.85 -1.26 -4.20 116.55 113.48 2pan n ASP 568 Ca 0.08 -2.38 0.00 0.00 -0.71 0.00 0.00 54.79 51.78 2pan n ASP 568 Cb 0.19 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 2pan n ASP 568 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2pan n ASN 569 N 0.55 0.36 -2.43 -1.12 5.15 -0.66 -5.16 115.26 111.96 2pan n ASN 569 Ca 0.17 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.97 2pan n ASN 569 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 2pan n ASN 569 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2pan n VAL 570 N -0.09 0.00 -3.15 3.44 0.31 -1.16 -4.49 118.33 113.19 2pan n VAL 570 Ca 0.00 -0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2pan n VAL 570 Cb 0.44 -1.15 -0.01 0.00 -0.91 0.00 0.00 33.84 32.21 2pan n VAL 570 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2pan s GLU 572 N -3.02 0.54 -0.18 5.55 0.41 -1.26 -4.91 118.70 115.83 2pan s GLU 572 Ca 0.01 0.85 -0.17 0.00 -0.41 0.00 0.00 54.97 55.24 2pan s GLU 572 Cb -0.00 0.46 -0.22 0.00 -1.78 0.00 0.00 34.13 32.59 2pan s GLU 572 CO 0.00 -0.69 0.29 0.74 -0.49 0.00 0.00 175.26 175.12 2pan h PHE 573 N 7.99 0.16 -3.79 1.61 -1.00 -1.89 -3.48 116.94 116.55 2pan h PHE 573 Ca -0.17 -0.12 -0.47 0.00 2.81 0.00 0.00 57.97 60.02 2pan h PHE 573 Cb 1.17 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 40.79 2pan h PHE 573 CO 0.13 1.57 0.22 -1.21 -1.61 0.00 0.00 178.31 177.41 2pan s GLU 574 N -2.42 2.68 0.23 1.51 0.41 -1.26 -5.00 118.70 114.86 2pan s GLU 574 Ca -0.26 -0.03 -0.32 0.00 -0.41 0.00 0.00 54.97 53.95 2pan s GLU 574 Cb 0.06 -2.21 -0.12 0.00 -1.78 0.00 0.00 34.13 30.07 2pan s GLU 574 CO 0.65 -0.91 1.61 -0.25 -0.49 0.00 0.00 175.26 175.87 2pan n ASP 575 N -2.74 3.60 -4.10 -0.19 10.43 -1.26 -4.95 116.55 117.34 2pan n ASP 575 Ca 0.06 1.10 -0.29 0.00 2.57 0.00 0.00 54.79 58.23 2pan n ASP 575 Cb 0.58 -1.53 0.19 0.00 1.84 0.00 0.00 41.12 42.20 2pan n ASP 575 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2pan s ILE 576 N 0.57 2.00 -0.09 0.53 -4.36 -1.26 -2.07 121.20 116.53 2pan s ILE 576 Ca 0.71 -0.04 -0.18 0.00 -0.26 0.00 0.00 60.65 60.89 2pan s ILE 576 Cb -0.56 -2.97 0.04 0.00 1.25 0.00 0.00 42.46 40.22 2pan s ILE 576 CO 0.41 0.00 0.43 0.00 0.24 0.00 0.00 174.94 176.02 2pan s ALA 577 N -3.87 -1.09 -0.02 2.27 0.00 -0.17 -4.10 121.76 114.78 2pan s ALA 577 Ca 0.75 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.63 2pan s ALA 577 Cb -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.83 2pan s ALA 577 CO 0.53 -0.26 0.89 -0.40 0.00 0.00 0.00 175.76 176.52 2pan n ASP 578 N 1.91 1.42 -3.98 0.00 3.85 -1.26 -1.22 116.55 117.27 2pan n ASP 578 Ca -0.17 -1.89 -0.09 0.00 -0.71 0.00 0.00 54.79 51.93 2pan n ASP 578 Cb 0.57 -0.07 -0.06 0.00 -1.35 0.00 0.00 41.12 40.21 2pan n ASP 578 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2pan s ASN 579 N -0.99 -0.07 0.36 -1.12 4.22 -1.26 -4.67 114.94 111.41 2pan s ASN 579 Ca 0.04 -0.91 0.18 0.00 -2.14 0.00 0.00 52.86 50.03 2pan s ASN 579 Cb 0.04 0.54 0.57 0.00 1.28 0.00 0.00 41.25 43.68 2pan s ASN 579 CO 0.00 -1.07 1.68 0.00 -2.04 0.00 0.00 177.10 175.68 2pan h ALA 580 N 2.33 0.93 -0.90 3.54 0.00 -1.92 -3.06 119.26 120.19 2pan h ALA 580 Ca -0.28 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.32 2pan h ALA 580 Cb 1.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2pan h ALA 580 CO 0.39 0.50 0.58 0.00 0.00 0.00 0.00 179.25 180.73 2pan h ALA 581 N 1.60 1.51 0.00 0.00 0.00 -1.97 -0.30 119.26 120.10 2pan h ALA 581 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2pan h ALA 581 Cb 0.99 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2pan h ALA 581 CO 0.05 0.36 -1.12 -0.44 0.00 0.00 0.00 179.25 178.10 2pan h ASP 582 N 1.03 0.00 -2.08 0.00 3.32 -1.93 -3.41 116.42 113.35 2pan h ASP 582 Ca 0.38 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.88 2pan h ASP 582 Cb 0.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.33 2pan h ASP 582 CO -0.14 0.60 -0.96 0.00 -1.72 0.00 0.00 179.24 177.02 2pan n ALA 583 N -2.35 2.97 0.53 3.45 0.00 -0.97 -0.68 120.51 123.47 2pan n ALA 583 Ca -0.06 -3.87 0.08 0.00 0.00 0.00 0.00 53.44 49.60 2pan n ALA 583 Cb 0.82 -0.85 0.35 0.00 0.00 0.00 0.00 19.45 19.78 2pan n ALA 583 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pan n PRO 584 N 0.83 0.02 -0.40 0.00 -0.04 -0.16 -3.39 135.00 131.85 2pan n PRO 584 Ca 0.25 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 2pan n PRO 584 Cb 0.52 -1.54 0.26 0.00 -0.04 0.00 0.00 33.50 32.70 2pan n PRO 584 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pan n THR 585 N -1.57 1.57 -1.92 0.52 -2.24 -1.26 -4.81 114.28 104.56 2pan n THR 585 Ca 0.04 -1.26 -0.40 0.00 -2.27 0.00 0.00 64.05 60.16 2pan n THR 585 Cb 0.19 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2pan n THR 585 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pan s GLU 586 N -1.68 4.02 0.56 -0.78 0.41 -1.22 -4.90 118.70 115.11 2pan s GLU 586 Ca 0.39 2.37 0.29 0.00 -0.41 0.00 0.00 54.97 57.61 2pan s GLU 586 Cb 0.25 -2.86 1.65 0.00 -1.78 0.00 0.00 34.13 31.39 2pan s GLU 586 CO 0.19 -0.53 2.17 1.79 -0.49 0.00 0.00 175.26 178.38 2pan h THR 587 N 2.70 0.53 0.00 3.63 1.35 -1.92 -0.38 112.91 118.82 2pan h THR 587 Ca -0.50 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 2pan h THR 587 Cb 1.24 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2pan h THR 587 CO 0.63 0.06 -0.24 0.00 -0.25 0.00 0.00 175.52 175.73 2pan n PHE 589 N -3.47 1.94 -4.32 0.00 0.99 -0.16 -5.18 117.46 107.26 2pan n PHE 589 Ca -0.00 -0.68 -0.23 0.00 -0.00 0.00 0.00 57.45 56.53 2pan n PHE 589 Cb 0.41 -0.47 -0.17 0.00 -1.00 0.00 0.00 39.48 38.25 2pan n PHE 589 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 2pan s HIS 591 N -2.59 1.20 -0.46 1.38 2.46 -1.26 -4.98 115.29 111.05 2pan s HIS 591 Ca 0.52 -0.45 -0.18 0.00 0.47 0.00 0.00 55.06 55.42 2pan s HIS 591 Cb 0.39 -0.95 0.04 0.00 -0.13 0.00 0.00 32.58 31.93 2pan s HIS 591 CO 0.16 -0.29 0.49 0.71 -2.47 0.00 0.00 174.74 173.35 2pan s TYR 592 N 0.95 3.14 0.00 3.88 1.51 -1.26 -5.13 117.35 120.44 2pan s TYR 592 Ca -0.10 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 2pan s TYR 592 Cb -0.15 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 2pan s TYR 592 CO 0.00 -0.83 0.00 0.39 -1.11 0.00 0.00 175.55 174.00