#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hml s ASN 2 N 0.00 6.21 0.43 6.12 3.84 -1.26 -4.92 114.94 125.36 2hml s ASN 2 Ca 0.00 -1.08 0.29 0.00 0.21 0.00 0.00 52.86 52.28 2hml s ASN 2 Cb 0.00 -2.32 1.06 0.00 -0.55 0.00 0.00 41.25 39.44 2hml s ASN 2 CO 0.00 -1.06 1.84 1.88 -2.79 0.00 0.00 177.10 176.97 2hml h TYR 3 N 9.15 0.00 -0.26 0.43 0.05 -1.91 0.21 116.97 124.64 2hml h TYR 3 Ca -0.28 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.38 2hml h TYR 3 Cb 1.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2hml h TYR 3 CO 0.82 0.00 -0.32 -0.91 -1.05 0.00 0.00 178.16 176.70 2hml h ASN 4 N 0.00 0.55 0.00 3.88 -0.26 -1.84 -3.35 115.58 114.56 2hml h ASN 4 Ca 0.00 -0.21 -0.29 0.00 -0.56 0.00 0.00 56.30 55.24 2hml h ASN 4 Cb 0.57 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 2hml h ASN 4 CO 0.00 0.84 -2.09 0.59 -1.06 0.00 0.00 177.43 175.71 2hml n ASN 5 N -4.08 2.43 -4.68 5.81 3.02 -0.86 -4.97 115.26 111.94 2hml n ASN 5 Ca -0.01 -0.07 -0.46 0.00 -0.03 0.00 0.00 54.58 54.01 2hml n ASN 5 Cb 0.46 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 2hml n ASN 5 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2hml n LYS 6 N -3.13 2.35 -2.78 3.52 3.00 0.67 -4.90 118.16 116.89 2hml n LYS 6 Ca -0.34 0.85 -0.43 0.00 -0.00 0.00 0.00 58.31 58.40 2hml n LYS 6 Cb 0.85 -2.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 2hml n LYS 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2hml s ILE 7 N 2.45 4.27 0.01 3.15 1.01 -1.26 -4.79 121.20 126.04 2hml s ILE 7 Ca 0.84 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.95 2hml s ILE 7 Cb -0.63 -4.81 -0.19 0.00 0.01 0.00 0.00 42.46 36.85 2hml s ILE 7 CO 0.42 -1.62 1.03 -0.07 0.00 0.00 0.00 174.94 174.71 2hml h LEU 8 N 11.60 0.00 -7.97 2.97 3.38 -1.96 -3.45 115.31 119.88 2hml h LEU 8 Ca -0.08 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.37 2hml h LEU 8 Cb 1.04 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.46 2hml h LEU 8 CO 1.22 0.92 -0.82 -0.69 0.09 0.00 0.00 178.44 179.16 2hml s VAL 9 N -2.71 1.17 0.83 1.22 1.01 -1.26 -0.84 120.40 119.82 2hml s VAL 9 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2hml s VAL 9 Cb 0.09 -1.08 0.09 0.00 0.00 0.00 0.00 36.38 35.48 2hml s VAL 9 CO 0.81 0.37 1.14 -0.94 0.00 0.00 0.00 175.10 176.48 2hml s SER 10 N 0.74 4.32 0.38 3.32 1.04 -0.22 -4.89 113.70 118.39 2hml s SER 10 Ca -0.13 0.96 -0.26 0.00 0.48 0.00 0.00 55.95 57.00 2hml s SER 10 Cb -0.16 -1.56 -0.11 0.00 0.10 0.00 0.00 66.02 64.29 2hml s SER 10 CO 0.03 -2.04 1.15 1.21 0.98 0.00 0.00 173.24 174.57 2hml n GLU 11 N -3.43 1.71 -1.03 4.02 4.07 -1.26 -1.33 120.64 123.39 2hml n GLU 11 Ca 0.07 0.61 -0.01 0.00 -0.06 0.00 0.00 57.16 57.77 2hml n GLU 11 Cb 0.59 -2.18 -0.00 0.00 -0.06 0.00 0.00 31.44 29.79 2hml n GLU 11 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2hml n SER 12 N 0.61 -4.95 -0.89 4.31 7.64 -1.26 -3.11 113.62 115.97 2hml n SER 12 Ca 0.07 0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 2hml n SER 12 Cb 0.37 -2.54 -0.03 0.00 -1.01 0.00 0.00 64.21 61.00 2hml n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hml n GLY 13 N -0.44 0.73 0.20 0.23 0.00 -0.44 -4.80 105.19 100.67 2hml n GLY 13 Ca -0.01 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2hml n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hml h LEU 14 N 0.00 0.00 -7.19 0.99 3.38 -1.63 -3.40 115.31 107.45 2hml h LEU 14 Ca -0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2hml h LEU 14 Cb 0.83 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 2hml h LEU 14 CO 0.29 0.28 0.06 -0.94 0.09 0.00 0.00 178.44 178.22 2hml s SER 15 N -6.27 -0.43 0.02 -0.43 1.04 -1.26 -0.95 113.70 105.43 2hml s SER 15 Ca 0.02 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.52 2hml s SER 15 Cb 0.09 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2hml s SER 15 CO 0.67 -0.80 -0.10 -1.10 0.98 0.00 0.00 173.24 172.88 2hml s GLN 16 N -3.02 0.74 0.11 4.02 1.11 -0.51 -1.06 119.66 121.04 2hml s GLN 16 Ca -0.02 -0.57 -0.31 0.00 0.01 0.00 0.00 55.36 54.47 2hml s GLN 16 Cb -0.00 -0.69 -0.08 0.00 -1.01 0.00 0.00 33.01 31.23 2hml s GLN 16 CO -0.06 0.17 1.43 0.15 0.01 0.00 0.00 175.29 176.99 2hml s LYS 17 N -0.85 4.30 0.56 2.91 -0.14 -0.02 -0.17 119.74 126.33 2hml s LYS 17 Ca -0.00 2.12 0.25 0.00 -1.36 0.00 0.00 55.97 56.98 2hml s LYS 17 Cb -0.06 -3.29 1.49 0.00 -1.68 0.00 0.00 37.83 34.29 2hml s LYS 17 CO 0.00 -0.49 2.08 1.25 -0.76 0.00 0.00 175.35 177.43 2hml h HIS 18 N 6.99 0.00 -0.04 3.18 2.76 -1.00 -1.03 115.15 126.01 2hml h HIS 18 Ca -0.42 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.76 2hml h HIS 18 Cb 1.21 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 2hml h HIS 18 CO 0.67 0.00 0.16 1.37 -1.30 0.00 0.00 177.93 178.84 2hml h LEU 19 N 0.00 0.00 -2.40 0.26 8.10 -1.45 -2.19 115.31 117.63 2hml h LEU 19 Ca 0.12 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 2hml h LEU 19 Cb 0.55 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2hml h LEU 19 CO -0.00 0.00 -0.03 0.16 -4.11 0.00 0.00 178.44 174.46 2hml h ILE 20 N 0.00 0.48 -0.00 0.15 3.07 -1.48 0.49 117.51 120.21 2hml h ILE 20 Ca 0.02 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.31 2hml h ILE 20 Cb 0.35 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 2hml h ILE 20 CO -0.00 0.02 -0.20 1.41 -1.05 0.00 0.00 178.15 178.33 2hml n HIS 21 N -3.72 0.00 0.00 0.16 8.25 -0.82 -4.46 115.22 114.62 2hml n HIS 21 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2hml n HIS 21 Cb 0.11 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2hml n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hml n GLY 22 N 1.35 0.32 3.63 -1.41 0.00 -0.01 -4.51 105.19 104.57 2hml n GLY 22 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2hml n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hml s ASP 23 N -0.93 6.85 0.28 1.61 -1.08 -0.22 -4.73 116.67 118.45 2hml s ASP 23 Ca 0.00 0.92 0.09 0.00 -0.52 0.00 0.00 52.55 53.04 2hml s ASP 23 Cb 0.00 -2.50 0.41 0.00 -1.46 0.00 0.00 42.92 39.37 2hml s ASP 23 CO 0.00 -0.80 1.65 -0.33 0.52 0.00 0.00 175.17 176.21 2hml h GLU 24 N 8.10 0.10 -0.62 4.34 4.39 -1.97 -0.95 114.58 127.98 2hml h GLU 24 Ca -0.22 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 2hml h GLU 24 Cb 1.07 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2hml h GLU 24 CO 0.99 0.61 0.06 0.93 -1.16 0.00 0.00 179.01 180.44 2hml h GLU 25 N 0.08 1.04 -0.47 2.33 5.08 -1.99 -0.68 114.58 119.96 2hml h GLU 25 Ca -0.00 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 57.93 2hml h GLU 25 Cb 0.97 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2hml h GLU 25 CO 0.08 0.98 -0.23 1.25 -1.00 0.00 0.00 179.01 180.09 2hml h LEU 26 N 0.97 1.01 -0.37 1.33 5.85 -1.91 -0.96 115.31 121.22 2hml h LEU 26 Ca 0.18 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2hml h LEU 26 Cb 0.48 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2hml h LEU 26 CO 0.02 1.19 0.00 0.15 -0.34 0.00 0.00 178.44 179.46 2hml h PHE 27 N 0.84 -0.02 -0.91 1.25 3.04 -0.86 0.26 116.94 120.55 2hml h PHE 27 Ca 0.11 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.10 2hml h PHE 27 Cb 0.81 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.34 2hml h PHE 27 CO 0.05 -0.07 0.60 1.96 -2.02 0.00 0.00 178.31 178.83 2hml h GLN 28 N 0.10 1.15 -0.29 1.11 1.08 -0.90 -1.79 115.11 115.57 2hml h GLN 28 Ca 0.18 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2hml h GLN 28 Cb 0.25 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2hml h GLN 28 CO -0.30 0.76 -0.03 1.25 -0.95 0.00 0.00 178.83 179.57 2hml h HIS 29 N 1.19 0.46 -0.42 2.96 2.76 -0.38 -2.56 115.15 119.16 2hml h HIS 29 Ca 0.35 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2hml h HIS 29 Cb -0.08 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2hml h HIS 29 CO -0.01 0.48 0.01 0.93 -1.30 0.00 0.00 177.93 178.04 2hml h GLU 30 N 0.43 0.67 -0.78 5.26 5.08 0.31 -0.00 114.58 125.55 2hml h GLU 30 Ca 0.09 -0.16 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2hml h GLU 30 Cb 0.32 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 2hml h GLU 30 CO 0.01 0.68 0.40 -0.07 -1.00 0.00 0.00 179.01 179.04 2hml h LEU 31 N 0.64 0.52 0.12 1.33 3.38 -0.96 0.18 115.31 120.52 2hml h LEU 31 Ca 0.13 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2hml h LEU 31 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2hml h LEU 31 CO 0.01 0.27 -0.06 0.50 0.09 0.00 0.00 178.44 179.25 2hml h LYS 32 N 0.64 -0.16 0.00 1.13 3.64 -1.47 -0.68 116.57 119.68 2hml h LYS 32 Ca 0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2hml h LYS 32 Cb 0.47 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2hml h LYS 32 CO -0.30 0.31 -0.80 1.79 -2.27 0.00 0.00 179.45 178.18 2hml h THR 33 N -0.87 0.00 0.00 1.00 1.35 -0.90 -3.32 112.91 110.16 2hml h THR 33 Ca -0.02 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2hml h THR 33 Cb 0.54 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2hml h THR 33 CO 0.03 0.00 -0.30 -0.38 -0.25 0.00 0.00 175.52 174.62 2hml n ILE 34 N -2.38 0.85 0.07 6.82 2.08 0.49 -4.64 119.36 122.66 2hml n ILE 34 Ca 0.02 0.27 -0.10 0.00 0.56 0.00 0.00 62.75 63.49 2hml n ILE 34 Cb 0.49 -1.69 -0.00 0.00 -0.75 0.00 0.00 39.64 37.69 2hml n ILE 34 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 2hml h PHE 35 N -0.30 0.43 -0.00 1.39 0.04 -1.15 -1.76 116.94 115.59 2hml h PHE 35 Ca 0.00 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2hml h PHE 35 Cb 0.30 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2hml h PHE 35 CO -0.13 1.02 -0.15 0.00 -0.60 0.00 0.00 178.31 178.45 2hml n ALA 36 N -2.49 2.70 -0.07 2.45 0.00 -0.26 -4.01 120.51 118.83 2hml n ALA 36 Ca -0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 2hml n ALA 36 Cb 0.78 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 2hml n ALA 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2hml n ARG 37 N -1.50 1.61 -3.69 0.00 0.63 -1.13 -3.10 116.66 109.48 2hml n ARG 37 Ca 0.07 -0.01 -0.23 0.00 -0.92 0.00 0.00 57.85 56.75 2hml n ARG 37 Cb 0.34 -1.37 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 2hml n ARG 37 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2hml s ASN 38 N -4.71 4.84 -0.02 6.15 0.01 -0.67 -4.60 114.94 115.93 2hml s ASN 38 Ca -0.07 -0.97 -0.26 0.00 -0.71 0.00 0.00 52.86 50.84 2hml s ASN 38 Cb 0.04 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 2hml s ASN 38 CO 0.59 -0.87 0.83 0.26 -1.51 0.00 0.00 177.10 176.40 2hml s TRP 39 N -2.61 3.64 -0.02 2.20 0.52 -1.26 -4.50 118.94 116.91 2hml s TRP 39 Ca 0.43 1.48 0.06 0.00 0.02 0.00 0.00 56.10 58.09 2hml s TRP 39 Cb -0.02 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 2hml s TRP 39 CO 0.26 0.08 -0.21 -0.51 0.02 0.00 0.00 176.95 176.58 2hml s LEU 40 N 0.74 2.04 0.20 2.99 1.43 -0.07 -4.22 118.68 121.79 2hml s LEU 40 Ca 0.44 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 2hml s LEU 40 Cb -0.20 -1.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 2hml s LEU 40 CO 0.23 0.26 1.20 0.12 0.23 0.00 0.00 176.35 178.38 2hml s PHE 41 N -0.46 3.42 -0.03 0.29 5.36 -1.26 -0.35 117.98 124.95 2hml s PHE 41 Ca 0.07 1.45 -0.08 0.00 -0.96 0.00 0.00 56.93 57.41 2hml s PHE 41 Cb -0.09 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2hml s PHE 41 CO -0.00 -1.19 -0.15 1.28 -1.46 0.00 0.00 175.22 173.70 2hml n LEU 42 N 2.27 1.39 0.00 6.12 4.77 0.65 -4.87 117.00 127.32 2hml n LEU 42 Ca 0.04 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 2hml n LEU 42 Cb 0.44 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 2hml n LEU 42 CO 0.56 -0.53 0.20 1.07 -1.33 0.00 0.00 177.39 177.36 2hml n THR 43 N -3.83 0.00 -4.32 -5.08 5.66 -1.09 -4.83 114.28 100.79 2hml n THR 43 Ca -0.06 -0.13 -0.25 0.00 -3.05 0.00 0.00 64.05 60.56 2hml n THR 43 Cb 0.22 0.18 -0.12 0.00 -1.55 0.00 0.00 70.33 69.06 2hml n THR 43 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2hml s HIS 44 N -4.92 1.92 0.37 1.09 2.46 -1.26 -0.31 115.29 114.63 2hml s HIS 44 Ca 0.06 -0.41 0.19 0.00 0.47 0.00 0.00 55.06 55.36 2hml s HIS 44 Cb -0.01 -1.04 1.20 0.00 -0.13 0.00 0.00 32.58 32.61 2hml s HIS 44 CO 0.01 0.26 1.64 -0.44 -2.47 0.00 0.00 174.74 173.74 2hml h ASP 45 N 3.92 0.43 0.69 9.88 3.32 -1.43 -0.07 116.42 133.16 2hml h ASP 45 Ca -0.47 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2hml h ASP 45 Cb 1.18 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2hml h ASP 45 CO 0.41 -0.20 0.00 0.77 -1.72 0.00 0.00 179.24 178.50 2hml h SER 46 N 0.22 0.00 0.64 6.45 4.64 -1.89 -1.75 113.55 121.86 2hml h SER 46 Ca 0.77 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 62.02 2hml h SER 46 Cb 1.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 2hml h SER 46 CO -0.60 0.00 -1.42 0.18 -0.87 0.00 0.00 176.83 174.13 2hml n LEU 47 N -3.08 0.62 -3.14 5.97 4.77 -0.05 -4.46 117.00 117.64 2hml n LEU 47 Ca -0.01 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.02 2hml n LEU 47 Cb 0.23 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2hml n LEU 47 CO 0.25 -0.01 -0.14 2.30 -1.33 0.00 0.00 177.39 178.45 2hml n ILE 48 N -2.65 0.59 0.12 -0.08 -5.35 -0.96 -4.82 119.36 106.21 2hml n ILE 48 Ca -0.06 -4.79 -0.02 0.00 -0.27 0.00 0.00 62.75 57.61 2hml n ILE 48 Cb 0.67 -0.68 0.18 0.00 -1.74 0.00 0.00 39.64 38.08 2hml n ILE 48 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2hml h PRO 49 N 3.09 0.11 -6.35 6.28 0.13 -1.55 -3.44 132.00 130.27 2hml h PRO 49 Ca 0.11 -0.07 -0.63 0.00 -0.87 0.00 0.00 66.00 64.54 2hml h PRO 49 Cb 0.85 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.87 2hml h PRO 49 CO 0.58 0.64 -0.66 0.00 -0.23 0.00 0.00 178.00 178.32 2hml s ALA 50 N -3.80 3.24 0.15 -0.56 0.00 -1.26 -5.05 121.76 114.49 2hml s ALA 50 Ca -0.03 -1.24 -0.34 0.00 0.00 0.00 0.00 51.96 50.35 2hml s ALA 50 Cb 0.13 -1.09 -0.15 0.00 0.00 0.00 0.00 23.12 22.00 2hml s ALA 50 CO 0.77 0.59 1.34 -2.30 0.00 0.00 0.00 175.76 176.15 2hml n PRO 51 N 0.22 1.49 0.00 0.00 -0.02 -1.26 -1.33 135.00 134.09 2hml n PRO 51 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2hml n PRO 51 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2hml n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hml n GLY 52 N 2.45 2.33 3.76 -1.23 0.00 -0.43 -4.90 105.19 107.16 2hml n GLY 52 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2hml n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hml s ASP 53 N -1.93 6.68 0.06 1.61 1.01 -0.44 -1.55 116.67 122.09 2hml s ASP 53 Ca 0.00 2.72 -0.05 0.00 0.71 0.00 0.00 52.55 55.93 2hml s ASP 53 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2hml s ASP 53 CO 0.00 -0.64 0.08 -0.72 0.21 0.00 0.00 175.17 174.10 2hml s TYR 54 N -0.68 0.29 0.14 4.23 1.13 -0.17 -0.95 117.35 121.35 2hml s TYR 54 Ca 0.53 -0.72 0.02 0.00 -1.41 0.00 0.00 57.07 55.49 2hml s TYR 54 Cb -0.41 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.20 2hml s TYR 54 CO 0.50 -0.42 -0.04 0.14 -2.51 0.00 0.00 175.55 173.22 2hml s VAL 55 N -3.43 0.71 0.05 -3.49 -7.23 -0.67 -1.81 120.40 104.54 2hml s VAL 55 Ca 0.02 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2hml s VAL 55 Cb 0.04 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2hml s VAL 55 CO -0.08 -0.67 0.22 0.42 -0.31 0.00 0.00 175.10 174.67 2hml s THR 56 N -3.62 5.38 0.06 5.32 -4.23 -0.64 -0.55 115.64 117.37 2hml s THR 56 Ca 0.18 -0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.32 2hml s THR 56 Cb 0.05 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 2hml s THR 56 CO -0.00 0.17 0.11 0.00 -0.54 0.00 0.00 174.62 174.36 2hml s ALA 57 N -1.48 -0.02 0.13 3.99 0.00 -0.52 -4.96 121.76 118.90 2hml s ALA 57 Ca 0.34 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2hml s ALA 57 Cb -0.13 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 2hml s ALA 57 CO 0.26 -0.40 0.49 0.15 0.00 0.00 0.00 175.76 176.26 2hml s LYS 58 N -3.37 3.86 -0.30 0.00 -0.14 -1.26 -0.63 119.74 117.91 2hml s LYS 58 Ca 0.01 0.33 -0.00 0.00 -1.36 0.00 0.00 55.97 54.95 2hml s LYS 58 Cb 0.03 -2.91 0.09 0.00 -1.68 0.00 0.00 37.83 33.36 2hml s LYS 58 CO -0.08 0.48 0.07 -1.64 -0.76 0.00 0.00 175.35 173.42 2hml s MET 59 N -2.09 0.88 7.45 1.68 -1.94 -0.12 -4.90 119.30 120.27 2hml s MET 59 Ca 0.38 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 2hml s MET 59 Cb -0.14 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.50 2hml s MET 59 CO 0.19 -0.91 0.00 0.41 -0.01 0.00 0.00 175.02 174.70 2hml n GLY 60 N 4.78 3.02 0.26 -0.03 0.00 -1.26 -1.93 105.19 110.02 2hml n GLY 60 Ca -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2hml n GLY 60 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hml n ILE 61 N 0.00 0.00 -2.60 -0.61 -5.35 -1.26 -4.37 119.36 105.17 2hml n ILE 61 Ca 0.00 -0.13 -0.32 0.00 -0.27 0.00 0.00 62.75 62.02 2hml n ILE 61 Cb 0.00 0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 38.40 2hml n ILE 61 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2hml s ASP 62 N -2.56 6.76 -0.10 7.28 1.01 -0.81 -5.08 116.67 123.17 2hml s ASP 62 Ca 0.21 1.61 -0.01 0.00 0.71 0.00 0.00 52.55 55.07 2hml s ASP 62 Cb 0.19 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 2hml s ASP 62 CO 0.56 -0.48 -0.05 -0.70 0.21 0.00 0.00 175.17 174.71 2hml s GLU 63 N -3.66 3.08 0.13 8.23 2.12 -1.26 -0.94 118.70 126.41 2hml s GLU 63 Ca 0.60 -0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.50 2hml s GLU 63 Cb -0.10 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2hml s GLU 63 CO 0.23 0.53 -0.22 0.14 -0.54 0.00 0.00 175.26 175.41 2hml s VAL 64 N -0.45 1.94 -0.16 3.70 -7.23 0.20 -1.00 120.40 117.40 2hml s VAL 64 Ca 0.07 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 2hml s VAL 64 Cb -0.12 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2hml s VAL 64 CO 0.02 -0.10 0.29 -0.63 -0.31 0.00 0.00 175.10 174.37 2hml s ILE 65 N -1.42 5.31 -0.22 -0.62 1.01 0.81 -1.44 121.20 124.62 2hml s ILE 65 Ca 0.12 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.31 2hml s ILE 65 Cb -0.09 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2hml s ILE 65 CO 0.06 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 2hml s VAL 66 N 0.47 2.50 -0.06 2.92 1.01 0.29 -1.22 120.40 126.32 2hml s VAL 66 Ca 0.16 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2hml s VAL 66 Cb -0.13 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2hml s VAL 66 CO 0.04 0.29 -0.14 -0.55 0.00 0.00 0.00 175.10 174.74 2hml s SER 67 N 1.28 1.89 -0.11 3.32 0.15 -0.25 -1.67 113.70 118.32 2hml s SER 67 Ca 0.01 -0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.04 2hml s SER 67 Cb -0.16 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.31 2hml s SER 67 CO -0.07 0.06 1.38 -0.60 1.20 0.00 0.00 173.24 175.21 2hml s ARG 68 N 0.53 4.23 0.62 5.44 6.06 -0.13 -1.97 118.95 133.74 2hml s ARG 68 Ca -0.13 1.84 -0.09 0.00 -2.50 0.00 0.00 55.73 54.85 2hml s ARG 68 Cb -0.15 -3.78 -0.02 0.00 0.06 0.00 0.00 34.95 31.06 2hml s ARG 68 CO 0.04 -0.71 0.99 -0.65 -2.50 0.00 0.00 175.30 172.47 2hml s GLN 69 N 3.40 3.26 0.46 5.12 -1.52 0.60 -1.32 119.66 129.65 2hml s GLN 69 Ca 0.61 0.44 0.14 0.00 -1.95 0.00 0.00 55.36 54.60 2hml s GLN 69 Cb -0.26 -2.15 1.09 0.00 -0.22 0.00 0.00 33.01 31.47 2hml s GLN 69 CO 0.21 -0.67 2.03 -0.91 -0.25 0.00 0.00 175.29 175.70 2hml h ASN 70 N -0.30 0.28 -0.11 5.90 2.35 -1.95 -1.22 115.58 120.52 2hml h ASN 70 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2hml h ASN 70 Cb 1.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2hml h ASN 70 CO 0.62 0.18 0.00 -0.90 -1.65 0.00 0.00 177.43 175.68 2hml n ASP 71 N -4.47 0.83 0.00 5.81 5.68 -1.26 -4.90 116.55 118.23 2hml n ASP 71 Ca 0.06 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2hml n ASP 71 Cb 0.29 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2hml n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hml n GLY 72 N 0.89 1.66 3.81 6.12 0.00 -0.46 -5.05 105.19 112.16 2hml n GLY 72 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2hml n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hml s SER 73 N -3.01 3.57 -0.08 1.61 1.04 -1.26 -4.76 113.70 110.80 2hml s SER 73 Ca 0.00 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.33 2hml s SER 73 Cb 0.00 -1.34 -0.00 0.00 0.10 0.00 0.00 66.02 64.77 2hml s SER 73 CO 0.00 -2.50 -0.23 -0.63 0.98 0.00 0.00 173.24 170.85 2hml s ILE 74 N -3.38 1.97 0.16 -1.02 1.01 -1.26 -0.29 121.20 118.39 2hml s ILE 74 Ca 0.65 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 60.40 2hml s ILE 74 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2hml s ILE 74 CO 0.52 0.54 -0.21 -0.13 0.00 0.00 0.00 174.94 175.66 2hml s ARG 75 N 0.17 1.34 0.01 2.79 0.52 -0.83 -4.91 118.95 118.05 2hml s ARG 75 Ca -0.13 -1.40 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2hml s ARG 75 Cb -0.16 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.73 2hml s ARG 75 CO 0.07 0.34 -0.12 0.00 0.02 0.00 0.00 175.30 175.60 2hml s ALA 76 N -1.68 1.00 0.02 2.13 0.00 -1.26 -1.09 121.76 120.88 2hml s ALA 76 Ca 0.16 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2hml s ALA 76 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2hml s ALA 76 CO 0.07 0.22 -0.04 -0.06 0.00 0.00 0.00 175.76 175.95 2hml s PHE 77 N -0.51 0.36 0.31 0.00 0.08 -0.35 -0.58 117.98 117.28 2hml s PHE 77 Ca 0.03 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 2hml s PHE 77 Cb -0.06 -0.24 -0.12 0.00 -0.57 0.00 0.00 43.02 42.04 2hml s PHE 77 CO 0.00 -0.14 1.53 1.28 -0.10 0.00 0.00 175.22 177.80 2hml n LEU 78 N 1.76 4.27 -3.29 -0.37 4.77 0.53 -0.13 117.00 124.54 2hml n LEU 78 Ca -0.22 1.17 -0.38 0.00 -0.03 0.00 0.00 56.01 56.55 2hml n LEU 78 Cb 0.55 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 2hml n LEU 78 CO 0.21 0.05 3.02 -3.20 -1.33 0.00 0.00 177.39 176.13 2hml n ASN 79 N 1.70 8.39 -3.68 -1.43 5.15 -0.17 -4.62 115.26 120.59 2hml n ASN 79 Ca 0.07 -2.74 -0.16 0.00 -0.60 0.00 0.00 54.58 51.15 2hml n ASN 79 Cb 0.37 -1.49 -0.15 0.00 -0.53 0.00 0.00 39.78 37.98 2hml n ASN 79 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2hml s VAL 80 N 1.08 -0.25 0.32 3.44 1.01 -1.26 -3.18 120.40 121.56 2hml s VAL 80 Ca 0.65 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2hml s VAL 80 Cb 0.19 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 36.15 2hml s VAL 80 CO -0.07 0.13 1.44 0.00 0.00 0.00 0.00 175.10 176.59 2hml n ARG 82 N 1.24 0.10 0.00 0.00 5.12 -1.26 -2.18 116.66 119.68 2hml n ARG 82 Ca 0.03 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2hml n ARG 82 Cb 0.40 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 2hml n ARG 82 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2hml n HIS 83 N -1.43 0.00 -1.12 -1.55 -0.00 -1.26 -4.82 115.22 105.04 2hml n HIS 83 Ca 0.07 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.31 2hml n HIS 83 Cb 0.22 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.31 2hml n HIS 83 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2hml n ARG 84 N -0.08 2.32 -0.83 1.57 5.12 -1.26 -5.00 116.66 118.50 2hml n ARG 84 Ca 0.00 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 53.05 2hml n ARG 84 Cb 0.00 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 2hml n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hml n GLY 85 N -0.85 0.51 3.77 -0.13 0.00 -0.93 -5.02 105.19 102.54 2hml n GLY 85 Ca 0.22 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2hml n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hml s LYS 86 N -1.25 3.20 -0.05 1.61 2.36 -1.26 -4.54 119.74 119.82 2hml s LYS 86 Ca 0.00 1.71 -0.30 0.00 -2.55 0.00 0.00 55.97 54.83 2hml s LYS 86 Cb 0.00 -1.98 -0.05 0.00 -1.05 0.00 0.00 37.83 34.76 2hml s LYS 86 CO 0.00 -0.99 1.41 0.99 1.55 0.00 0.00 175.35 178.30 2hml s THR 87 N -1.69 3.84 -0.06 3.43 2.01 -1.26 -0.57 115.64 121.33 2hml s THR 87 Ca 0.75 1.14 -0.27 0.00 0.31 0.00 0.00 61.69 63.62 2hml s THR 87 Cb -0.27 -3.74 -0.22 0.00 0.01 0.00 0.00 72.50 68.29 2hml s THR 87 CO 0.30 -0.04 1.09 0.25 -0.69 0.00 0.00 174.62 175.53 2hml h LEU 88 N 8.95 -0.01 -8.55 4.42 5.85 -1.89 -3.44 115.31 120.64 2hml h LEU 88 Ca -0.36 -0.65 -0.65 0.00 0.84 0.00 0.00 57.88 57.06 2hml h LEU 88 Cb 1.16 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.93 2hml h LEU 88 CO 0.92 0.65 -0.74 -0.69 -0.34 0.00 0.00 178.44 178.24 2hml s VAL 89 N -3.56 3.22 -2.06 1.05 1.01 -1.26 -4.77 120.40 114.02 2hml s VAL 89 Ca -0.17 -0.58 0.17 0.00 0.00 0.00 0.00 61.98 61.40 2hml s VAL 89 Cb 0.00 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 34.14 2hml s VAL 89 CO 0.67 0.49 1.06 -1.54 0.00 0.00 0.00 175.10 175.78 2hml n SER 90 N 4.00 2.48 -4.90 3.32 3.41 -1.26 -5.00 113.62 115.68 2hml n SER 90 Ca -0.18 -1.73 -0.21 0.00 -0.26 0.00 0.00 58.87 56.49 2hml n SER 90 Cb 0.52 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2hml n SER 90 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2hml s VAL 91 N -1.38 2.48 -0.12 -3.33 -7.23 -1.26 -5.06 120.40 104.50 2hml s VAL 91 Ca 0.21 -1.33 0.17 0.00 -1.81 0.00 0.00 61.98 59.22 2hml s VAL 91 Cb 0.14 -2.81 -0.22 0.00 0.56 0.00 0.00 36.38 34.06 2hml s VAL 91 CO 0.21 0.00 0.51 -0.62 -0.31 0.00 0.00 175.10 174.90 2hml n GLU 92 N -1.64 0.65 -3.54 4.82 1.02 -1.26 -4.53 120.64 116.16 2hml n GLU 92 Ca 0.04 0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 2hml n GLU 92 Cb 0.62 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 2hml n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hml s ALA 93 N -2.78 -1.40 0.00 0.62 0.00 -1.26 -1.62 121.76 115.32 2hml s ALA 93 Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2hml s ALA 93 Cb 0.08 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2hml s ALA 93 CO 0.83 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2hml n GLY 94 N 0.27 -1.03 2.80 0.00 0.00 -0.75 -4.99 105.19 101.49 2hml n GLY 94 Ca -0.18 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 2hml n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hml s ASN 95 N -4.00 0.73 -0.01 1.61 3.84 -1.26 -0.99 114.94 114.85 2hml s ASN 95 Ca 0.00 -0.03 -0.28 0.00 0.21 0.00 0.00 52.86 52.75 2hml s ASN 95 Cb 0.00 -0.27 0.07 0.00 -0.55 0.00 0.00 41.25 40.50 2hml s ASN 95 CO 0.00 -0.12 0.63 0.00 -2.79 0.00 0.00 177.10 174.82 2hml s ALA 96 N 1.27 -1.65 -1.40 1.71 0.00 -0.60 -4.97 121.76 116.12 2hml s ALA 96 Ca -0.06 1.08 0.29 0.00 0.00 0.00 0.00 51.96 53.27 2hml s ALA 96 Cb -0.13 0.17 1.29 0.00 0.00 0.00 0.00 23.12 24.44 2hml s ALA 96 CO -0.02 -0.43 1.91 1.63 0.00 0.00 0.00 175.76 178.85 2hml n LYS 97 N 0.70 0.41 0.00 0.00 5.02 -1.26 -4.50 118.16 118.53 2hml n LYS 97 Ca -0.19 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2hml n LYS 97 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2hml n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hml n GLY 98 N 1.34 -0.82 2.90 0.72 0.00 -1.26 -1.30 105.19 106.77 2hml n GLY 98 Ca 0.12 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2hml n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hml s PHE 99 N -2.00 0.86 -0.17 1.61 0.08 0.15 -4.86 117.98 113.65 2hml s PHE 99 Ca 0.00 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 2hml s PHE 99 Cb 0.00 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 2hml s PHE 99 CO 0.00 -0.23 0.04 0.08 -0.10 0.00 0.00 175.22 175.00 2hml s VAL 100 N 1.04 4.57 0.16 -0.44 1.01 -1.26 -0.73 120.40 124.75 2hml s VAL 100 Ca -0.09 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2hml s VAL 100 Cb -0.14 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 2hml s VAL 100 CO -0.00 0.49 1.14 0.00 0.00 0.00 0.00 175.10 176.72 2hml n SER 102 N 2.61 0.28 -0.01 0.00 3.41 -1.26 -1.41 113.62 117.23 2hml n SER 102 Ca 0.04 -1.22 -0.01 0.00 -0.26 0.00 0.00 58.87 57.42 2hml n SER 102 Cb 0.46 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2hml n SER 102 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2hml h TYR 103 N 0.41 0.00 -0.03 7.33 5.03 -1.97 -3.44 116.97 124.30 2hml h TYR 103 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2hml h TYR 103 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2hml h TYR 103 CO 0.01 0.00 0.00 0.72 -1.32 0.00 0.00 178.16 177.57 2hml n HIS 104 N -2.67 0.04 -0.71 -3.82 8.25 -1.26 -5.02 115.22 110.03 2hml n HIS 104 Ca -0.01 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 2hml n HIS 104 Cb 0.05 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2hml n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hml n GLY 105 N -0.11 0.63 3.74 -1.41 0.00 -0.50 -4.62 105.19 102.93 2hml n GLY 105 Ca 0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2hml n GLY 105 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2hml n TRP 106 N -2.71 2.75 -4.06 1.61 7.02 -1.26 -4.47 117.44 116.32 2hml n TRP 106 Ca 0.00 0.38 -0.34 0.00 -1.02 0.00 0.00 57.50 56.52 2hml n TRP 106 Cb 0.00 -2.54 -0.15 0.00 -2.42 0.00 0.00 31.31 26.20 2hml n TRP 106 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2hml s GLY 107 N 0.15 1.46 -0.02 6.99 0.00 0.39 -0.66 107.32 115.62 2hml s GLY 107 Ca 0.60 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 44.13 2hml s GLY 107 CO 0.56 0.33 -0.03 -1.36 0.00 0.00 0.00 173.10 172.60 2hml s PHE 108 N 1.35 3.02 0.69 1.90 0.40 0.09 -0.23 117.98 125.19 2hml s PHE 108 Ca 0.05 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 2hml s PHE 108 Cb -0.13 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.72 2hml s PHE 108 CO -0.10 0.42 1.07 0.20 0.70 0.00 0.00 175.22 177.52 2hml s GLY 109 N -1.31 1.64 0.61 4.36 0.00 0.17 0.33 107.32 113.13 2hml s GLY 109 Ca 0.17 -0.22 0.30 0.00 0.00 0.00 0.00 44.72 44.97 2hml s GLY 109 CO 0.07 0.12 1.99 1.76 0.00 0.00 0.00 173.10 177.04 2hml h SER 110 N -0.60 0.00 -0.30 1.64 0.02 -1.51 0.74 113.55 113.54 2hml h SER 110 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2hml h SER 110 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2hml h SER 110 CO 0.62 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.85 2hml n ASN 111 N -3.48 1.88 0.00 3.07 0.23 -1.26 -4.83 115.26 110.87 2hml n ASN 111 Ca 0.03 -2.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 2hml n ASN 111 Cb 0.45 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2hml n ASN 111 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hml n GLY 112 N 0.89 2.41 3.78 4.83 0.00 0.25 -4.96 105.19 112.39 2hml n GLY 112 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2hml n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hml s GLU 113 N -0.21 4.40 -0.48 1.61 2.02 -1.26 -0.46 118.70 124.32 2hml s GLU 113 Ca 0.00 1.51 -0.28 0.00 0.02 0.00 0.00 54.97 56.21 2hml s GLU 113 Cb 0.00 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.49 2hml s GLU 113 CO 0.00 0.07 1.36 -1.17 0.02 0.00 0.00 175.26 175.54 2hml s LEU 114 N -2.21 3.52 -0.20 1.80 2.96 -1.26 -0.65 118.68 122.64 2hml s LEU 114 Ca 0.53 0.55 0.14 0.00 -0.22 0.00 0.00 54.13 55.12 2hml s LEU 114 Cb -0.23 -3.35 -0.23 0.00 0.50 0.00 0.00 46.19 42.87 2hml s LEU 114 CO 0.29 -1.51 0.05 0.00 -1.32 0.00 0.00 176.35 173.86 2hml n GLN 115 N 8.27 0.68 -3.75 1.98 6.02 0.68 -4.79 117.38 126.46 2hml n GLN 115 Ca 0.14 0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 57.04 2hml n GLN 115 Cb 0.49 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 30.12 2hml n GLN 115 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2hml s SER 116 N -5.76 -0.25 -0.09 1.08 1.04 -0.68 -5.00 113.70 104.05 2hml s SER 116 Ca -0.15 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.54 2hml s SER 116 Cb 0.07 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2hml s SER 116 CO 0.78 -0.37 -0.05 -0.69 0.98 0.00 0.00 173.24 173.89 2hml s VAL 117 N -0.95 0.79 0.09 5.02 1.01 -1.26 -0.46 120.40 124.63 2hml s VAL 117 Ca -0.10 -0.16 -0.34 0.00 0.00 0.00 0.00 61.98 61.38 2hml s VAL 117 Cb -0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.37 2hml s VAL 117 CO 0.03 0.32 1.67 -2.65 0.00 0.00 0.00 175.10 174.47 2hml n PRO 118 N 4.81 2.18 -3.07 2.72 -0.02 -1.26 -1.94 135.00 138.41 2hml n PRO 118 Ca -0.13 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2hml n PRO 118 Cb 0.50 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2hml n PRO 118 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2hml n PHE 119 N 4.34 -1.97 -0.21 6.00 3.72 -1.26 -4.88 117.46 123.20 2hml n PHE 119 Ca 0.18 0.53 0.01 0.00 -0.05 0.00 0.00 57.45 58.12 2hml n PHE 119 Cb 0.29 -4.33 0.12 0.00 -0.94 0.00 0.00 39.48 34.62 2hml n PHE 119 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2hml h GLU 120 N -1.36 0.42 0.27 -1.08 4.81 -1.78 -1.04 114.58 114.82 2hml h GLU 120 Ca -0.52 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 2hml h GLU 120 Cb 1.36 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2hml h GLU 120 CO 0.57 0.28 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.77 2hml h LYS 121 N 0.43 -0.35 -0.38 1.92 1.63 -1.87 0.35 116.57 118.30 2hml h LYS 121 Ca 0.33 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 2hml h LYS 121 Cb 0.41 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2hml h LYS 121 CO -0.32 -0.21 0.12 -0.44 -3.45 0.00 0.00 179.45 175.15 2hml h ASP 122 N -0.40 0.49 0.00 4.20 3.32 -1.80 -2.31 116.42 119.93 2hml h ASP 122 Ca -0.04 -0.06 -0.30 0.00 0.02 0.00 0.00 57.03 56.66 2hml h ASP 122 Cb 0.30 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2hml h ASP 122 CO 0.06 0.47 -1.92 0.18 -1.72 0.00 0.00 179.24 176.31 2hml n LEU 123 N -4.36 1.94 0.00 1.55 4.77 -0.44 -4.64 117.00 115.83 2hml n LEU 123 Ca 0.02 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2hml n LEU 123 Cb 0.16 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.35 2hml n LEU 123 CO 0.37 0.27 -0.22 -1.22 -1.33 0.00 0.00 177.39 175.26 2hml n TYR 124 N -4.34 0.06 0.00 -1.77 4.01 0.11 -5.06 117.16 110.18 2hml n TYR 124 Ca -0.39 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 2hml n TYR 124 Cb 0.74 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2hml n TYR 124 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hml n GLY 125 N 1.40 3.50 1.29 2.72 0.00 -0.65 -1.87 105.19 111.58 2hml n GLY 125 Ca 0.01 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2hml n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hml n GLU 126 N 13.88 3.05 0.04 1.61 -0.58 -1.26 -4.44 120.64 132.94 2hml n GLU 126 Ca 0.00 -2.64 0.11 0.00 -0.42 0.00 0.00 57.16 54.22 2hml n GLU 126 Cb 0.00 -1.62 0.05 0.00 -0.57 0.00 0.00 31.44 29.30 2hml n GLU 126 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2hml n SER 127 N 1.25 0.63 -4.63 1.62 3.41 -0.78 -4.81 113.62 110.31 2hml n SER 127 Ca 0.23 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 2hml n SER 127 Cb 0.68 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 65.24 2hml n SER 127 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hml s LEU 128 N -4.06 4.08 -1.06 1.04 2.96 -1.26 -4.98 118.68 115.40 2hml s LEU 128 Ca 0.04 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 54.61 2hml s LEU 128 Cb 0.14 -3.09 0.15 0.00 0.50 0.00 0.00 46.19 43.88 2hml s LEU 128 CO 0.78 -0.54 1.29 0.21 -1.32 0.00 0.00 176.35 176.77 2hml s ASN 129 N 1.49 6.83 0.42 3.68 2.47 -1.26 -4.83 114.94 123.74 2hml s ASN 129 Ca 0.33 -2.47 0.12 0.00 0.42 0.00 0.00 52.86 51.26 2hml s ASN 129 Cb -0.15 -2.41 0.91 0.00 -1.45 0.00 0.00 41.25 38.16 2hml s ASN 129 CO 0.10 -0.93 1.97 0.11 -3.72 0.00 0.00 177.10 174.63 2hml h LYS 130 N 8.07 0.13 -0.81 0.43 1.57 -1.93 -1.47 116.57 122.56 2hml h LYS 130 Ca 0.24 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.23 2hml h LYS 130 Cb 0.95 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2hml h LYS 130 CO 1.18 0.26 0.59 0.87 -0.57 0.00 0.00 179.45 181.79 2hml h LYS 131 N 0.12 0.00 -0.55 3.15 1.57 -1.88 -0.19 116.57 118.79 2hml h LYS 131 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2hml h LYS 131 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2hml h LYS 131 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 2hml n LEU 133 N 1.44 2.44 -4.78 0.00 4.77 -0.08 -5.04 117.00 115.74 2hml n LEU 133 Ca 0.21 -3.51 -0.32 0.00 -0.03 0.00 0.00 56.01 52.37 2hml n LEU 133 Cb 0.58 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2hml n LEU 133 CO 0.16 1.15 0.71 -0.83 -1.33 0.00 0.00 177.39 177.25 2hml s GLY 134 N -3.01 1.80 0.62 -0.72 0.00 -1.24 -4.36 107.32 100.42 2hml s GLY 134 Ca 0.35 0.31 -0.19 0.00 0.00 0.00 0.00 44.72 45.19 2hml s GLY 134 CO -0.05 0.65 1.30 1.04 0.00 0.00 0.00 173.10 176.04 2hml n LEU 135 N -3.14 5.90 -4.63 0.66 4.77 0.40 -4.86 117.00 116.09 2hml n LEU 135 Ca 0.09 0.86 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 2hml n LEU 135 Cb 0.53 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2hml n LEU 135 CO 0.52 -0.91 1.49 -0.75 -1.33 0.00 0.00 177.39 176.41 2hml s LYS 136 N -3.25 3.72 0.11 3.23 2.20 -1.26 -4.86 119.74 119.63 2hml s LYS 136 Ca 0.80 1.86 -0.16 0.00 -0.36 0.00 0.00 55.97 58.12 2hml s LYS 136 Cb -0.39 -4.12 -0.07 0.00 -1.51 0.00 0.00 37.83 31.74 2hml s LYS 136 CO 0.42 -1.40 0.54 -2.00 -0.36 0.00 0.00 175.35 172.55 2hml s GLU 137 N 4.97 4.03 -0.14 4.03 2.12 -1.26 -0.34 118.70 132.11 2hml s GLU 137 Ca 0.79 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 56.38 2hml s GLU 137 Cb -0.29 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 2hml s GLU 137 CO 0.32 0.55 1.48 0.08 -0.54 0.00 0.00 175.26 177.15 2hml s VAL 138 N -1.32 3.90 0.30 3.70 1.01 0.25 -4.90 120.40 123.33 2hml s VAL 138 Ca 0.34 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.40 2hml s VAL 138 Cb -0.16 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 32.76 2hml s VAL 138 CO 0.19 -0.15 1.90 0.00 0.00 0.00 0.00 175.10 177.04 2hml h ALA 139 N 9.20 1.53 -3.40 5.51 0.00 -1.76 -3.42 119.26 126.92 2hml h ALA 139 Ca -0.33 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.11 2hml h ALA 139 Cb 1.14 -0.26 -0.34 0.00 0.00 0.00 0.00 17.79 18.33 2hml h ALA 139 CO 0.97 0.32 -0.79 1.03 0.00 0.00 0.00 179.25 180.78 2hml s ARG 140 N -5.90 1.16 -0.09 0.00 1.81 -0.67 -4.94 118.95 110.32 2hml s ARG 140 Ca -0.11 -0.20 -0.03 0.00 -1.72 0.00 0.00 55.73 53.67 2hml s ARG 140 Cb 0.20 -1.11 0.04 0.00 -0.45 0.00 0.00 34.95 33.63 2hml s ARG 140 CO 0.80 -0.09 0.06 0.08 -0.68 0.00 0.00 175.30 175.47 2hml s VAL 141 N 1.02 -0.03 0.13 3.52 1.01 -1.26 -0.42 120.40 124.37 2hml s VAL 141 Ca -0.09 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2hml s VAL 141 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2hml s VAL 141 CO -0.00 0.04 -0.03 -1.61 0.00 0.00 0.00 175.10 173.51 2hml s GLU 142 N 2.13 0.96 -0.03 2.72 2.02 -0.83 -5.00 118.70 120.67 2hml s GLU 142 Ca 0.04 -1.43 0.07 0.00 0.02 0.00 0.00 54.97 53.67 2hml s GLU 142 Cb -0.13 -0.20 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 2hml s GLU 142 CO -0.05 -0.08 -0.26 0.45 0.02 0.00 0.00 175.26 175.34 2hml s SER 143 N -3.10 3.05 -0.50 -0.19 0.15 -1.26 -1.26 113.70 110.58 2hml s SER 143 Ca 0.18 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2hml s SER 143 Cb 0.06 -0.49 0.13 0.00 -1.71 0.00 0.00 66.02 64.00 2hml s SER 143 CO -0.01 0.30 0.27 0.12 1.20 0.00 0.00 173.24 175.12 2hml s PHE 144 N -0.47 3.44 -1.51 3.44 5.36 0.67 -4.79 117.98 124.12 2hml s PHE 144 Ca 0.06 -2.85 -0.11 0.00 -0.96 0.00 0.00 56.93 53.08 2hml s PHE 144 Cb -0.11 -3.04 0.07 0.00 -0.34 0.00 0.00 43.02 39.60 2hml s PHE 144 CO 0.00 -0.86 0.83 0.72 -1.46 0.00 0.00 175.22 174.46 2hml n HIS 145 N 3.72 -2.05 0.00 10.12 8.25 -1.26 -1.60 115.22 132.40 2hml n HIS 145 Ca 0.04 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 2hml n HIS 145 Cb 0.38 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.64 2hml n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hml n GLY 146 N -1.66 2.63 3.64 -1.41 0.00 -1.26 -4.68 105.19 102.46 2hml n GLY 146 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2hml n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hml s PHE 147 N -2.70 3.31 -0.22 1.61 0.40 -0.62 -1.03 117.98 118.73 2hml s PHE 147 Ca 0.00 1.01 -0.08 0.00 -0.60 0.00 0.00 56.93 57.26 2hml s PHE 147 Cb 0.00 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 2hml s PHE 147 CO 0.00 -0.34 0.08 0.42 0.70 0.00 0.00 175.22 176.08 2hml s ILE 148 N 2.58 4.66 0.17 0.64 -1.09 0.57 -0.24 121.20 128.50 2hml s ILE 148 Ca 0.31 -0.07 0.11 0.00 -2.23 0.00 0.00 60.65 58.77 2hml s ILE 148 Cb -0.15 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2hml s ILE 148 CO 0.08 0.40 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.65 2hml s TYR 149 N 0.95 2.17 0.16 3.97 1.51 -0.39 -0.25 117.35 125.47 2hml s TYR 149 Ca 0.04 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 2hml s TYR 149 Cb -0.14 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2hml s TYR 149 CO 0.03 0.42 -0.16 0.20 -1.11 0.00 0.00 175.55 174.93 2hml s GLY 150 N -2.53 1.33 -0.07 0.71 0.00 0.53 -1.96 107.32 105.33 2hml s GLY 150 Ca 0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 2hml s GLY 150 CO 0.08 -1.55 0.16 0.00 0.00 0.00 0.00 173.10 171.79 2hml h PHE 152 N 7.07 0.00 -3.56 0.00 -1.00 -1.80 -1.78 116.94 115.87 2hml h PHE 152 Ca -0.41 0.00 -0.70 0.00 2.81 0.00 0.00 57.97 59.67 2hml h PHE 152 Cb 1.15 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.51 2hml h PHE 152 CO 0.42 0.00 -0.37 0.34 -1.61 0.00 0.00 178.31 177.09 2hml s ASP 153 N -5.13 6.13 0.61 2.17 -1.08 -1.18 -4.42 116.67 113.78 2hml s ASP 153 Ca 0.04 -0.70 0.33 0.00 -0.52 0.00 0.00 52.55 51.70 2hml s ASP 153 Cb 0.09 -2.18 1.87 0.00 -1.46 0.00 0.00 42.92 41.25 2hml s ASP 153 CO 0.52 -0.44 2.19 -0.61 0.52 0.00 0.00 175.17 177.35 2hml h GLN 154 N 8.62 0.00 -0.00 4.34 5.75 -1.92 -2.36 115.11 129.53 2hml h GLN 154 Ca -0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2hml h GLN 154 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2hml h GLN 154 CO 0.73 0.00 -0.06 0.39 -2.65 0.00 0.00 178.83 177.23 2hml n GLU 155 N -3.57 0.38 -1.48 1.69 1.02 -1.26 -4.93 120.64 112.49 2hml n GLU 155 Ca -0.01 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.71 2hml n GLU 155 Cb 0.21 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.22 2hml n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hml n ALA 156 N -1.26 0.67 -1.48 0.62 0.00 -0.89 -4.93 120.51 113.25 2hml n ALA 156 Ca 0.12 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2hml n ALA 156 Cb 0.28 -2.29 0.09 0.00 0.00 0.00 0.00 19.45 17.52 2hml n ALA 156 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2hml s PRO 157 N -3.65 2.24 0.51 0.00 0.02 -1.26 -4.96 135.00 127.90 2hml s PRO 157 Ca 0.79 1.89 -0.21 0.00 0.02 0.00 0.00 61.00 63.49 2hml s PRO 157 Cb -0.35 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 2hml s PRO 157 CO 0.44 -1.79 0.89 -2.30 -0.33 0.00 0.00 177.00 173.92 2hml n PRO 158 N -2.44 1.03 -0.26 5.54 -0.02 -1.26 -4.68 135.00 132.91 2hml n PRO 158 Ca 0.14 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 2hml n PRO 158 Cb 0.49 -2.00 0.18 0.00 -0.02 0.00 0.00 33.50 32.16 2hml n PRO 158 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2hml h LEU 159 N 0.94 0.27 -0.37 2.45 5.85 -1.97 -0.62 115.31 121.87 2hml h LEU 159 Ca -0.46 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.42 2hml h LEU 159 Cb 1.36 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 2hml h LEU 159 CO 0.53 0.10 0.11 0.24 -0.34 0.00 0.00 178.44 179.08 2hml h MET 160 N 0.44 0.24 -0.58 1.25 2.86 -1.92 -0.79 114.93 116.42 2hml h MET 160 Ca 0.41 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.96 2hml h MET 160 Cb 0.62 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2hml h MET 160 CO -0.40 0.16 0.07 -0.44 1.06 0.00 0.00 176.91 177.35 2hml h ASP 161 N 0.24 0.91 -0.59 1.22 3.32 -1.73 -2.74 116.42 117.05 2hml h ASP 161 Ca 0.17 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2hml h ASP 161 Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2hml h ASP 161 CO -0.19 0.93 0.39 0.22 -1.72 0.00 0.00 179.24 178.86 2hml h TYR 162 N 0.89 0.68 0.00 4.55 3.20 -0.52 -0.70 116.97 125.08 2hml h TYR 162 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2hml h TYR 162 Cb 0.43 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 2hml h TYR 162 CO 0.03 0.41 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.76 2hml h LEU 163 N 0.72 0.00 0.00 2.82 3.38 -0.86 -3.41 115.31 117.96 2hml h LEU 163 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2hml h LEU 163 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2hml h LEU 163 CO -0.06 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2hml n GLY 164 N 0.07 2.75 0.16 0.83 0.00 -0.27 -1.76 105.19 106.97 2hml n GLY 164 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2hml n GLY 164 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hml h ASP 165 N 4.32 0.00 -0.03 1.61 3.32 -1.89 -2.55 116.42 121.20 2hml h ASP 165 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2hml h ASP 165 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2hml h ASP 165 CO 0.00 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.36 2hml h ALA 166 N 2.19 1.33 -0.87 3.45 0.00 -1.67 -3.19 119.26 120.51 2hml h ALA 166 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.75 2hml h ALA 166 Cb 0.36 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2hml h ALA 166 CO 0.00 0.45 0.50 0.00 0.00 0.00 0.00 179.25 180.20 2hml h ALA 167 N 1.50 1.26 -0.81 0.00 0.00 -1.50 -1.89 119.26 117.82 2hml h ALA 167 Ca 0.06 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.11 2hml h ALA 167 Cb 0.49 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2hml h ALA 167 CO 0.03 0.11 0.53 2.35 0.00 0.00 0.00 179.25 182.26 2hml h TRP 168 N 0.82 0.78 0.02 0.00 7.01 -1.76 -1.79 115.95 121.03 2hml h TRP 168 Ca 0.43 0.02 -0.24 0.00 2.11 0.00 0.00 58.89 61.21 2hml h TRP 168 Cb 0.42 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.24 2hml h TRP 168 CO -0.05 0.35 -1.00 1.88 -2.79 0.00 0.00 178.44 176.83 2hml h TYR 169 N 0.72 0.70 0.00 2.65 -1.99 -1.52 -3.29 116.97 114.24 2hml h TYR 169 Ca 0.38 -0.39 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 2hml h TYR 169 Cb 0.50 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2hml h TYR 169 CO -0.00 1.23 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.97 2hml h LEU 170 N 0.25 0.00 -0.74 3.88 3.38 -1.08 -3.38 115.31 117.62 2hml h LEU 170 Ca -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2hml h LEU 170 Cb 1.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 2hml h LEU 170 CO 0.18 0.35 0.31 -0.33 0.09 0.00 0.00 178.44 179.03 2hml h GLU 171 N 0.00 1.09 -0.57 1.13 5.08 -1.42 0.28 114.58 120.17 2hml h GLU 171 Ca -0.00 -0.19 0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2hml h GLU 171 Cb 1.13 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 2hml h GLU 171 CO 0.05 0.89 0.15 -1.35 -1.00 0.00 0.00 179.01 177.74 2hml h PRO 172 N 1.05 0.29 0.07 2.33 0.11 -1.77 0.40 132.00 134.47 2hml h PRO 172 Ca 0.25 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.12 2hml h PRO 172 Cb 0.19 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.26 2hml h PRO 172 CO -0.02 0.19 -0.91 1.98 -0.21 0.00 0.00 178.00 179.03 2hml h MET 173 N 0.30 0.50 0.00 1.05 1.85 -1.76 0.14 114.93 117.01 2hml h MET 173 Ca 0.29 -0.63 -0.14 0.00 -0.61 0.00 0.00 59.70 58.61 2hml h MET 173 Cb 0.40 0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.61 2hml h MET 173 CO -0.35 1.25 -0.67 0.74 -0.40 0.00 0.00 176.91 177.48 2hml h PHE 174 N 0.03 0.00 0.00 1.39 -1.00 -0.24 -3.37 116.94 113.75 2hml h PHE 174 Ca -0.13 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.64 2hml h PHE 174 Cb 1.62 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.18 2hml h PHE 174 CO 0.14 0.67 -0.20 1.17 -1.61 0.00 0.00 178.31 178.48 2hml n LYS 175 N -3.32 0.02 0.23 1.51 4.81 0.13 -4.31 118.16 117.23 2hml n LYS 175 Ca 0.01 0.01 0.15 0.00 -0.87 0.00 0.00 58.31 57.61 2hml n LYS 175 Cb 0.78 -0.53 0.51 0.00 0.02 0.00 0.00 35.03 35.81 2hml n LYS 175 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2hml h HIS 176 N -0.04 0.00 0.00 5.64 3.86 -0.79 -2.41 115.15 121.42 2hml h HIS 176 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hml h HIS 176 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2hml h HIS 176 CO -0.01 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.65 2hml n SER 177 N -2.91 0.46 0.00 2.45 3.41 0.00 -4.84 113.62 112.20 2hml n SER 177 Ca 0.02 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2hml n SER 177 Cb 0.36 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2hml n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hml n GLY 178 N -0.65 0.37 0.00 5.00 0.00 -0.91 -4.81 105.19 104.19 2hml n GLY 178 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hml n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hml n GLY 179 N -1.67 2.86 3.70 -0.02 0.00 -1.25 -4.84 105.19 103.97 2hml n GLY 179 Ca 0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 2hml n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hml s LEU 180 N 0.00 3.44 0.07 0.99 1.43 -1.26 -1.04 118.68 122.31 2hml s LEU 180 Ca 0.00 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2hml s LEU 180 Cb 0.00 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2hml s LEU 180 CO 0.00 0.08 -0.25 -1.61 0.23 0.00 0.00 176.35 174.80 2hml s GLU 181 N -3.01 1.70 -0.22 1.70 2.02 0.36 -4.82 118.70 116.44 2hml s GLU 181 Ca 0.28 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.95 2hml s GLU 181 Cb -0.09 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 2hml s GLU 181 CO 0.20 0.49 0.34 -1.17 0.02 0.00 0.00 175.26 175.14 2hml s LEU 182 N -1.57 4.13 -0.31 1.80 2.96 -1.26 -1.30 118.68 123.14 2hml s LEU 182 Ca 0.13 0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 54.27 2hml s LEU 182 Cb -0.10 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 2hml s LEU 182 CO 0.04 -0.06 0.46 -0.69 -1.32 0.00 0.00 176.35 174.78 2hml s VAL 183 N 1.34 5.09 0.57 1.68 1.01 0.83 -4.68 120.40 126.23 2hml s VAL 183 Ca 0.16 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.71 2hml s VAL 183 Cb -0.15 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.46 2hml s VAL 183 CO 0.07 -0.03 0.59 -0.83 0.00 0.00 0.00 175.10 174.91 2hml s GLY 184 N 1.68 2.09 0.72 4.51 0.00 -1.26 -3.20 107.32 111.85 2hml s GLY 184 Ca 0.17 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.19 2hml s GLY 184 CO 0.11 -1.85 1.05 2.56 0.00 0.00 0.00 173.10 174.97 2hml s PRO 185 N -4.48 2.26 0.52 2.90 0.04 -1.26 -5.06 135.00 129.91 2hml s PRO 185 Ca 0.46 -0.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.24 2hml s PRO 185 Cb -0.04 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2hml s PRO 185 CO 0.29 -1.26 0.99 -1.25 0.04 0.00 0.00 177.00 175.82 2hml s PRO 186 N -5.31 3.88 0.57 0.56 0.04 -1.26 -4.91 135.00 128.56 2hml s PRO 186 Ca 0.60 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 2hml s PRO 186 Cb -0.11 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2hml s PRO 186 CO 0.46 -0.33 1.15 0.20 0.04 0.00 0.00 177.00 178.52 2hml s GLY 187 N -2.88 2.64 -0.06 0.56 0.00 0.05 -4.79 107.32 102.84 2hml s GLY 187 Ca 0.60 0.86 -0.02 0.00 0.00 0.00 0.00 44.72 46.17 2hml s GLY 187 CO 0.30 1.23 0.05 0.54 0.00 0.00 0.00 173.10 175.21 2hml s LYS 188 N -3.35 0.12 -0.01 2.90 1.02 -1.26 -0.92 119.74 118.24 2hml s LYS 188 Ca 0.74 0.27 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 2hml s LYS 188 Cb -0.26 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2hml s LYS 188 CO 0.30 -0.35 0.03 0.14 -0.92 0.00 0.00 175.35 174.55 2hml s VAL 189 N 2.11 0.00 -0.11 3.17 -7.23 -0.71 -4.97 120.40 112.66 2hml s VAL 189 Ca 0.05 -0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 2hml s VAL 189 Cb -0.12 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2hml s VAL 189 CO -0.04 -0.01 0.46 -0.69 -0.31 0.00 0.00 175.10 174.51 2hml s VAL 190 N -0.02 5.19 0.19 1.32 1.01 -1.26 0.12 120.40 126.94 2hml s VAL 190 Ca -0.00 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.00 2hml s VAL 190 Cb -0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2hml s VAL 190 CO 0.00 0.34 -0.18 0.27 0.00 0.00 0.00 175.10 175.53 2hml s ILE 191 N 0.52 2.68 -1.16 2.22 -4.36 0.10 -4.98 121.20 116.22 2hml s ILE 191 Ca 0.25 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.71 2hml s ILE 191 Cb -0.15 -2.31 0.17 0.00 1.25 0.00 0.00 42.46 41.42 2hml s ILE 191 CO 0.10 -0.12 2.28 0.29 0.24 0.00 0.00 174.94 177.73 2hml n LYS 192 N 0.16 4.56 -4.10 0.37 4.76 -1.26 -1.28 118.16 121.37 2hml n LYS 192 Ca -0.12 -3.65 -0.11 0.00 -2.87 0.00 0.00 58.31 51.56 2hml n LYS 192 Cb 0.56 -2.54 -0.11 0.00 -1.84 0.00 0.00 35.03 31.10 2hml n LYS 192 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hml s ALA 193 N -2.04 0.71 0.41 7.82 0.00 -1.10 -4.43 121.76 123.13 2hml s ALA 193 Ca 0.51 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2hml s ALA 193 Cb 0.21 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 2hml s ALA 193 CO -0.12 -0.14 1.11 1.21 0.00 0.00 0.00 175.76 177.81 2hml s ASN 194 N -2.29 6.56 0.56 0.00 3.84 -1.21 -2.70 114.94 119.70 2hml s ASN 194 Ca 0.00 2.19 0.26 0.00 0.21 0.00 0.00 52.86 55.52 2hml s ASN 194 Cb -0.02 -2.60 1.53 0.00 -0.55 0.00 0.00 41.25 39.61 2hml s ASN 194 CO -0.03 -0.64 2.08 4.11 -2.79 0.00 0.00 177.10 179.83 2hml h TRP 195 N 2.45 0.00 0.00 0.43 5.08 -1.85 -2.04 115.95 120.02 2hml h TRP 195 Ca -0.49 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.43 2hml h TRP 195 Cb 1.23 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 2hml h TRP 195 CO 0.56 0.00 -0.24 0.87 -1.28 0.00 0.00 178.44 178.35 2hml h LYS 196 N 0.00 0.00 0.35 0.12 1.57 -1.95 -2.87 116.57 113.79 2hml h LYS 196 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2hml h LYS 196 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2hml h LYS 196 CO -0.00 0.24 -0.17 0.00 -0.57 0.00 0.00 179.45 178.95 2hml h ALA 197 N 1.76 -0.46 -0.32 3.86 0.00 -1.73 -0.19 119.26 122.18 2hml h ALA 197 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2hml h ALA 197 Cb 0.77 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2hml h ALA 197 CO 0.03 -0.62 -0.15 -1.00 0.00 0.00 0.00 179.25 177.51 2hml h PRO 198 N -0.75 0.56 -0.75 0.00 0.13 -1.71 -2.33 132.00 127.16 2hml h PRO 198 Ca -0.05 -0.18 0.04 0.00 -0.87 0.00 0.00 66.00 64.95 2hml h PRO 198 Cb 0.51 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 2hml h PRO 198 CO 0.08 0.69 0.46 0.00 -0.23 0.00 0.00 178.00 179.00 2hml h ALA 199 N 1.33 0.99 -0.02 -0.56 0.00 -1.43 -1.14 119.26 118.43 2hml h ALA 199 Ca 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2hml h ALA 199 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2hml h ALA 199 CO 0.04 0.22 -0.81 1.05 0.00 0.00 0.00 179.25 179.75 2hml h GLU 200 N 0.88 0.24 -0.15 0.00 4.11 -0.96 -1.71 114.58 116.99 2hml h GLU 200 Ca 0.31 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2hml h GLU 200 Cb 0.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2hml h GLU 200 CO -0.13 0.93 0.01 -0.97 0.07 0.00 0.00 179.01 178.91 2hml h ASN 201 N 0.15 0.24 0.05 3.06 -0.73 -1.03 -2.78 115.58 114.55 2hml h ASN 201 Ca -0.04 -0.29 -0.11 0.00 1.87 0.00 0.00 56.30 57.73 2hml h ASN 201 Cb 1.41 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 2hml h ASN 201 CO 0.13 0.47 -0.36 -0.26 -0.37 0.00 0.00 177.43 177.04 2hml h PHE 202 N 0.01 0.49 -0.13 0.67 -1.00 -1.21 -1.74 116.94 114.02 2hml h PHE 202 Ca 0.04 -0.13 -0.09 0.00 2.81 0.00 0.00 57.97 60.61 2hml h PHE 202 Cb 0.34 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2hml h PHE 202 CO 0.03 0.73 -0.32 -0.24 -1.61 0.00 0.00 178.31 176.89 2hml h VAL 203 N 0.36 1.27 0.00 -0.55 3.04 -1.17 -3.06 116.25 116.14 2hml h VAL 203 Ca 0.04 -1.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.42 2hml h VAL 203 Cb 0.80 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2hml h VAL 203 CO 0.06 0.39 0.00 0.61 -1.01 0.00 0.00 177.57 177.63 2hml n GLY 204 N -0.38 0.72 3.12 3.17 0.00 -1.06 -3.40 105.19 107.35 2hml n GLY 204 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2hml n GLY 204 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hml n ASP 205 N 0.00 4.79 0.13 1.61 -0.08 -0.66 -4.63 116.55 117.72 2hml n ASP 205 Ca 0.00 -3.16 0.08 0.00 -1.51 0.00 0.00 54.79 50.20 2hml n ASP 205 Cb 0.29 -1.14 0.04 0.00 2.34 0.00 0.00 41.12 42.65 2hml n ASP 205 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hml h ALA 206 N 5.98 0.71 -0.85 -1.67 0.00 -1.84 -3.36 119.26 118.22 2hml h ALA 206 Ca 0.17 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2hml h ALA 206 Cb 0.79 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2hml h ALA 206 CO 0.96 0.29 0.55 -0.92 0.00 0.00 0.00 179.25 180.13 2hml h TYR 207 N 0.00 0.95 0.00 0.00 3.20 -1.88 -2.65 116.97 116.60 2hml h TYR 207 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2hml h TYR 207 Cb 1.18 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2hml h TYR 207 CO 0.00 0.49 0.00 1.12 -1.64 0.00 0.00 178.16 178.13 2hml h HIS 208 N 0.93 0.00 -0.07 -3.82 2.07 -1.97 -3.38 115.15 108.90 2hml h HIS 208 Ca 0.37 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.90 2hml h HIS 208 Cb 0.24 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 2hml h HIS 208 CO -0.00 0.00 0.01 0.28 -3.07 0.00 0.00 177.93 175.15 2hml h VAL 209 N 0.00 0.97 -0.97 6.12 2.07 -1.70 0.20 116.25 122.94 2hml h VAL 209 Ca 0.00 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2hml h VAL 209 Cb 0.80 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2hml h VAL 209 CO 0.00 0.01 0.62 1.23 0.02 0.00 0.00 177.57 179.45 2hml h GLY 210 N 0.05 1.44 0.00 2.17 0.00 -1.79 -1.76 103.07 103.17 2hml h GLY 210 Ca 0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 2hml h GLY 210 CO -0.04 0.36 -0.97 -0.25 0.00 0.00 0.00 176.54 175.64 2hml h TRP 211 N 1.17 0.00 -0.44 5.60 2.91 -1.70 0.30 115.95 123.79 2hml h TRP 211 Ca 0.40 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.44 2hml h TRP 211 Cb 0.08 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 2hml h TRP 211 CO -0.01 1.11 0.26 1.15 -1.03 0.00 0.00 178.44 179.93 2hml h THR 212 N -1.00 1.05 -0.57 2.65 2.02 -0.70 -2.98 112.91 113.38 2hml h THR 212 Ca -0.24 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2hml h THR 212 Cb 1.08 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2hml h THR 212 CO -0.15 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.25 2hml n HIS 213 N -4.84 2.03 -0.28 3.16 8.25 -0.66 -4.62 115.22 118.27 2hml n HIS 213 Ca 0.02 -0.71 -0.00 0.00 -0.26 0.00 0.00 57.72 56.77 2hml n HIS 213 Cb 0.06 -0.50 0.06 0.00 1.12 0.00 0.00 29.99 30.74 2hml n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hml h ALA 214 N 4.00 0.29 -0.66 -1.41 0.00 -1.39 0.27 119.26 120.36 2hml h ALA 214 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2hml h ALA 214 Cb 1.94 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 20.44 2hml h ALA 214 CO 0.47 -0.53 0.08 0.66 0.00 0.00 0.00 179.25 179.94 2hml h SER 215 N -0.05 1.07 -0.25 0.00 4.64 -1.86 -1.59 113.55 115.52 2hml h SER 215 Ca 0.33 -0.27 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2hml h SER 215 Cb 0.58 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2hml h SER 215 CO -0.81 1.08 -0.51 0.28 -0.87 0.00 0.00 176.83 176.00 2hml h SER 216 N 1.03 0.91 0.16 4.97 0.02 -1.63 -1.35 113.55 117.66 2hml h SER 216 Ca 0.20 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2hml h SER 216 Cb 0.48 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2hml h SER 216 CO 0.02 1.25 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.73 2hml h LEU 217 N 0.65 -0.42 -0.73 5.07 3.38 -0.41 -1.44 115.31 121.41 2hml h LEU 217 Ca 0.02 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2hml h LEU 217 Cb 1.10 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2hml h LEU 217 CO 0.11 -0.24 0.13 -0.09 0.09 0.00 0.00 178.44 178.44 2hml h ARG 218 N -0.35 1.10 -0.00 1.13 2.43 -1.30 -2.81 114.38 114.59 2hml h ARG 218 Ca 0.00 -0.28 -0.25 0.00 -0.81 0.00 0.00 59.98 58.64 2hml h ARG 218 Cb 0.33 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2hml h ARG 218 CO -0.04 0.99 -0.96 0.77 -1.51 0.00 0.00 179.97 179.22 2hml h SER 219 N 1.03 0.85 1.32 -3.80 0.02 -1.20 -3.35 113.55 108.43 2hml h SER 219 Ca 0.21 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2hml h SER 219 Cb 0.41 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2hml h SER 219 CO 0.01 1.48 -0.48 1.23 -1.14 0.00 0.00 176.83 177.93 2hml h GLY 220 N 0.31 0.00 -1.87 -3.77 0.00 -1.31 -3.48 103.07 92.94 2hml h GLY 220 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.88 2hml h GLY 220 CO 0.19 0.00 -0.39 1.18 0.00 0.00 0.00 176.54 177.52 2hml n GLU 221 N -2.61 -1.27 -1.03 4.80 4.71 -1.06 -2.08 120.64 122.11 2hml n GLU 221 Ca 0.03 0.89 -0.29 0.00 -0.01 0.00 0.00 57.16 57.77 2hml n GLU 221 Cb 0.50 -5.24 0.21 0.00 -1.01 0.00 0.00 31.44 25.91 2hml n GLU 221 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2hml s SER 222 N -2.43 1.69 0.48 1.62 1.04 -1.26 -3.87 113.70 110.96 2hml s SER 222 Ca 0.00 1.02 0.18 0.00 0.48 0.00 0.00 55.95 57.64 2hml s SER 222 Cb 0.00 -1.57 1.18 0.00 0.10 0.00 0.00 66.02 65.73 2hml s SER 222 CO 0.00 -3.69 2.04 0.16 0.98 0.00 0.00 173.24 172.72 2hml h ILE 223 N -2.28 0.96 -0.18 -1.02 3.07 -1.76 -1.22 117.51 115.09 2hml h ILE 223 Ca -0.53 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.37 2hml h ILE 223 Cb 1.32 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 2hml h ILE 223 CO 0.49 0.14 0.00 0.49 -1.05 0.00 0.00 178.15 178.22 2hml n PHE 224 N -4.16 0.31 0.31 0.16 3.72 -1.26 -4.54 117.46 112.00 2hml n PHE 224 Ca -0.02 -0.14 0.17 0.00 -0.05 0.00 0.00 57.45 57.41 2hml n PHE 224 Cb 0.22 -0.05 0.98 0.00 -0.94 0.00 0.00 39.48 39.70 2hml n PHE 224 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2hml h SER 225 N 1.07 0.00 0.61 4.37 0.87 -1.50 -1.61 113.55 117.36 2hml h SER 225 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2hml h SER 225 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2hml h SER 225 CO 0.03 0.01 0.00 0.77 -0.53 0.00 0.00 176.83 177.11 2hml h SER 226 N 0.00 0.00 1.36 6.23 4.64 -1.84 -2.78 113.55 121.16 2hml h SER 226 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hml h SER 226 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2hml h SER 226 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 2hml h LEU 227 N 0.00 0.00 -9.11 5.97 3.38 -1.52 -3.24 115.31 110.78 2hml h LEU 227 Ca 0.00 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 2hml h LEU 227 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2hml h LEU 227 CO 0.00 0.00 0.68 0.00 0.09 0.00 0.00 178.44 179.21 2hml n ALA 228 N -1.93 -1.02 -2.02 1.53 0.00 -1.05 -1.05 120.51 114.97 2hml n ALA 228 Ca 0.03 0.46 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 2hml n ALA 228 Cb 0.39 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 2hml n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hml n GLY 229 N 3.57 0.29 3.57 0.00 0.00 0.10 -2.51 105.19 110.22 2hml n GLY 229 Ca 0.26 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2hml n GLY 229 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hml n ASN 230 N -0.65 -5.13 0.16 1.61 3.02 -0.22 -4.87 115.26 109.19 2hml n ASN 230 Ca -0.16 -0.56 0.01 0.00 -0.03 0.00 0.00 54.58 53.84 2hml n ASN 230 Cb 0.59 -4.11 0.27 0.00 -0.61 0.00 0.00 39.78 35.91 2hml n ASN 230 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hml h ALA 231 N 0.98 1.12 -2.67 5.41 0.00 -1.49 -3.45 119.26 119.17 2hml h ALA 231 Ca -0.54 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 53.80 2hml h ALA 231 Cb 1.36 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.85 2hml h ALA 231 CO 0.61 0.61 -0.29 0.00 0.00 0.00 0.00 179.25 180.17 2hml s ALA 232 N -3.82 -0.81 -0.03 0.00 0.00 -1.22 -5.05 121.76 110.83 2hml s ALA 232 Ca -0.02 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 2hml s ALA 232 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2hml s ALA 232 CO 0.73 -0.22 0.22 -1.17 0.00 0.00 0.00 175.76 175.32 2hml s LEU 233 N -0.70 4.38 0.63 0.00 2.96 -1.26 -4.53 118.68 120.16 2hml s LEU 233 Ca -0.08 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 2hml s LEU 233 Cb -0.04 -2.48 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 2hml s LEU 233 CO 0.03 0.30 0.50 -2.65 -1.32 0.00 0.00 176.35 173.21 2hml n PRO 234 N 1.35 0.43 -0.51 0.98 -0.02 -1.26 -4.95 135.00 131.02 2hml n PRO 234 Ca -0.14 0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.23 2hml n PRO 234 Cb 0.53 -1.73 0.23 0.00 -0.02 0.00 0.00 33.50 32.51 2hml n PRO 234 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hml n PRO 235 N -0.23 -2.53 -1.68 0.52 -0.02 -1.26 -4.89 135.00 124.91 2hml n PRO 235 Ca 0.11 -0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 60.42 2hml n PRO 235 Cb 0.48 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 2hml n PRO 235 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hml n GLU 236 N -3.76 2.08 -2.61 -0.52 4.07 -1.26 -2.88 120.64 115.77 2hml n GLU 236 Ca 0.03 0.74 -0.21 0.00 -0.06 0.00 0.00 57.16 57.66 2hml n GLU 236 Cb 0.57 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 2hml n GLU 236 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hml n GLY 237 N 1.86 -0.51 0.14 8.31 0.00 -1.26 -4.87 105.19 108.85 2hml n GLY 237 Ca 0.10 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2hml n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hml h ALA 238 N 1.00 1.00 0.00 4.61 0.00 -1.87 -3.47 119.26 120.53 2hml h ALA 238 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2hml h ALA 238 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2hml h ALA 238 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2hml n GLY 239 N 0.57 -0.86 3.55 0.00 0.00 -1.26 -1.05 105.19 106.14 2hml n GLY 239 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2hml n GLY 239 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hml s LEU 240 N 0.00 0.64 0.04 0.99 -0.00 -0.49 -2.62 118.68 117.24 2hml s LEU 240 Ca 0.00 -1.22 0.04 0.00 -0.00 0.00 0.00 54.13 52.95 2hml s LEU 240 Cb 0.00 1.67 -0.02 0.00 -0.00 0.00 0.00 46.19 47.84 2hml s LEU 240 CO 0.00 -1.25 -0.12 -1.10 -0.00 0.00 0.00 176.35 173.88 2hml s GLN 241 N -3.42 0.78 0.11 1.48 -0.21 0.27 -0.77 119.66 117.89 2hml s GLN 241 Ca 0.26 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 2hml s GLN 241 Cb -0.01 -0.74 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 2hml s GLN 241 CO 0.14 0.17 0.12 0.00 -2.12 0.00 0.00 175.29 173.61 2hml s MET 242 N -1.30 0.88 0.28 2.91 0.23 -0.02 -0.76 119.30 121.52 2hml s MET 242 Ca -0.02 -1.20 -0.11 0.00 -1.03 0.00 0.00 55.69 53.34 2hml s MET 242 Cb -0.08 0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 2hml s MET 242 CO 0.01 -0.26 0.49 -0.08 -2.03 0.00 0.00 175.02 173.15 2hml s THR 243 N -3.95 0.00 0.19 3.16 -1.32 -0.17 -1.88 115.64 111.66 2hml s THR 243 Ca 0.13 -1.43 -0.07 0.00 -1.21 0.00 0.00 61.69 59.11 2hml s THR 243 Cb 0.06 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.68 2hml s THR 243 CO -0.05 0.00 0.26 -0.94 -2.21 0.00 0.00 174.62 171.68 2hml s SER 244 N -3.07 0.07 0.22 8.08 1.04 -0.95 -1.92 113.70 117.17 2hml s SER 244 Ca 0.24 -1.06 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 2hml s SER 244 Cb -0.01 0.44 0.26 0.00 0.10 0.00 0.00 66.02 66.81 2hml s SER 244 CO 0.12 -0.91 1.81 0.50 0.98 0.00 0.00 173.24 175.73 2hml h LYS 245 N 2.54 0.69 -0.63 4.02 3.64 -1.92 -2.44 116.57 122.47 2hml h LYS 245 Ca -0.32 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2hml h LYS 245 Cb 1.23 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2hml h LYS 245 CO 0.48 0.45 0.00 0.66 -2.27 0.00 0.00 179.45 178.77 2hml n TYR 246 N -4.78 1.12 0.00 1.91 4.01 -1.26 -4.74 117.16 113.42 2hml n TYR 246 Ca 0.09 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 2hml n TYR 246 Cb 0.19 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2hml n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hml n GLY 247 N 1.15 2.93 3.77 2.72 0.00 -0.92 -4.76 105.19 110.08 2hml n GLY 247 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2hml n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hml s SER 248 N -1.26 5.73 0.20 1.61 0.01 -1.26 -3.90 113.70 114.82 2hml s SER 248 Ca 0.00 2.29 -0.23 0.00 1.31 0.00 0.00 55.95 59.32 2hml s SER 248 Cb 0.00 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.70 2hml s SER 248 CO 0.00 -1.22 0.96 -0.83 0.41 0.00 0.00 173.24 172.56 2hml s GLY 249 N -1.56 -0.03 0.06 3.44 0.00 -0.90 -2.23 107.32 106.09 2hml s GLY 249 Ca 0.71 -0.16 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 2hml s GLY 249 CO 0.32 0.79 0.75 -3.16 0.00 0.00 0.00 173.10 171.80 2hml s MET 250 N -2.81 1.03 0.16 2.90 0.23 -0.79 -1.57 119.30 118.45 2hml s MET 250 Ca 0.16 -0.33 -0.03 0.00 -1.03 0.00 0.00 55.69 54.46 2hml s MET 250 Cb -0.02 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 2hml s MET 250 CO 0.05 -0.44 0.37 0.20 -2.03 0.00 0.00 175.02 173.16 2hml s GLY 251 N -2.48 2.07 -0.14 3.16 0.00 0.26 -0.84 107.32 109.35 2hml s GLY 251 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2hml s GLY 251 CO -0.09 -0.62 -0.13 0.14 0.00 0.00 0.00 173.10 172.39 2hml s VAL 252 N -1.72 1.48 -0.34 1.40 1.01 0.05 -1.58 120.40 120.69 2hml s VAL 252 Ca 0.39 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2hml s VAL 252 Cb -0.12 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.92 2hml s VAL 252 CO 0.27 0.44 0.09 -0.76 0.00 0.00 0.00 175.10 175.14 2hml s LEU 253 N 1.48 4.37 0.17 3.92 1.43 -0.17 -1.40 118.68 128.49 2hml s LEU 253 Ca 0.04 -1.42 -0.34 0.00 -1.03 0.00 0.00 54.13 51.39 2hml s LEU 253 Cb -0.13 -1.79 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 2hml s LEU 253 CO -0.10 -0.35 1.47 0.79 0.23 0.00 0.00 176.35 178.39 2hml n TRP 254 N 4.68 2.07 -0.69 0.29 7.02 -0.22 -2.03 117.44 128.56 2hml n TRP 254 Ca -0.10 0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 2hml n TRP 254 Cb 0.43 -2.47 0.00 0.00 -2.42 0.00 0.00 31.31 26.85 2hml n TRP 254 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2hml n ASP 255 N 2.87 0.00 -2.64 -0.99 8.00 -1.25 -4.86 116.55 117.68 2hml n ASP 255 Ca 0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.45 2hml n ASP 255 Cb 0.28 -0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 40.58 2hml n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hml n GLY 256 N -2.00 3.25 0.23 0.44 0.00 -1.13 -4.65 105.19 101.33 2hml n GLY 256 Ca 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.97 2hml n GLY 256 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2hml h TYR 257 N 4.41 0.00 0.00 1.61 3.20 -1.88 -1.78 116.97 122.52 2hml h TYR 257 Ca 0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2hml h TYR 257 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2hml h TYR 257 CO 1.79 0.21 -0.40 -1.13 -1.64 0.00 0.00 178.16 176.99 2hml n SER 258 N -3.78 0.53 0.00 -2.11 3.41 -1.26 -4.32 113.62 106.08 2hml n SER 258 Ca -0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2hml n SER 258 Cb 0.31 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2hml n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hml n GLY 259 N 1.41 3.19 0.00 5.00 0.00 -0.67 -1.68 105.19 112.44 2hml n GLY 259 Ca 0.05 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2hml n GLY 259 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hml n VAL 260 N 0.00 0.14 -2.38 1.61 0.24 -1.26 -3.84 118.33 112.84 2hml n VAL 260 Ca 0.00 0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 2hml n VAL 260 Cb 0.00 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 31.73 2hml n VAL 260 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2hml s HIS 261 N -2.56 3.44 0.92 6.34 4.02 -0.68 -4.77 115.29 122.00 2hml s HIS 261 Ca 0.25 1.58 -0.12 0.00 1.02 0.00 0.00 55.06 57.79 2hml s HIS 261 Cb 0.18 -3.40 0.14 0.00 -1.02 0.00 0.00 32.58 28.48 2hml s HIS 261 CO 0.40 -0.96 1.09 -1.12 1.02 0.00 0.00 174.74 175.17 2hml s SER 262 N -0.56 3.26 0.60 1.40 0.01 -1.26 -4.21 113.70 112.94 2hml s SER 262 Ca 0.47 1.46 0.29 0.00 1.31 0.00 0.00 55.95 59.48 2hml s SER 262 Cb -0.34 -2.14 1.56 0.00 0.21 0.00 0.00 66.02 65.32 2hml s SER 262 CO 0.42 -2.77 1.96 0.00 0.41 0.00 0.00 173.24 173.27 2hml h ALA 263 N -1.64 1.92 0.00 1.44 0.00 -1.53 -1.11 119.26 118.34 2hml h ALA 263 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2hml h ALA 263 Cb 1.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2hml h ALA 263 CO 0.55 -0.52 -0.00 0.38 0.00 0.00 0.00 179.25 179.65 2hml h ASP 264 N 0.00 0.00 -0.00 0.00 3.04 -1.89 -2.89 116.42 114.67 2hml h ASP 264 Ca 0.14 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 2hml h ASP 264 Cb 0.88 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.17 2hml h ASP 264 CO -0.00 0.00 -0.34 0.18 -2.04 0.00 0.00 179.24 177.04 2hml n LEU 265 N -3.11 0.75 0.19 0.15 4.77 -0.42 -4.81 117.00 114.50 2hml n LEU 265 Ca -0.03 -0.61 -0.15 0.00 -0.03 0.00 0.00 56.01 55.20 2hml n LEU 265 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2hml n LEU 265 CO 0.21 0.16 0.71 0.58 -1.33 0.00 0.00 177.39 177.72 2hml h VAL 266 N 0.45 0.71 -0.36 4.08 2.07 -1.54 -1.75 116.25 119.90 2hml h VAL 266 Ca 0.00 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2hml h VAL 266 Cb 0.27 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2hml h VAL 266 CO 0.00 0.04 0.16 -0.65 0.02 0.00 0.00 177.57 177.14 2hml h PRO 267 N -0.52 0.33 -0.62 1.57 0.11 -1.88 0.77 132.00 131.77 2hml h PRO 267 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 2hml h PRO 267 Cb 0.39 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2hml h PRO 267 CO 0.07 0.22 0.23 1.49 -0.21 0.00 0.00 178.00 179.80 2hml h GLU 268 N 0.34 0.93 -0.08 1.05 4.81 -1.88 -1.88 114.58 117.87 2hml h GLU 268 Ca 0.16 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2hml h GLU 268 Cb 0.09 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2hml h GLU 268 CO -0.12 0.80 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.88 2hml h LEU 269 N 0.87 0.14 -1.70 1.64 3.38 -1.13 -1.71 115.31 116.80 2hml h LEU 269 Ca 0.20 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hml h LEU 269 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2hml h LEU 269 CO -0.01 0.47 0.21 0.24 0.09 0.00 0.00 178.44 179.43 2hml h MET 270 N -0.18 0.41 -0.13 1.13 2.86 -0.80 -0.53 114.93 117.69 2hml h MET 270 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2hml h MET 270 Cb 0.41 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2hml h MET 270 CO 0.01 0.27 -0.06 0.00 1.06 0.00 0.00 176.91 178.19 2hml h ALA 271 N 1.81 0.18 0.01 6.32 0.00 -1.27 -2.35 119.26 123.96 2hml h ALA 271 Ca 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hml h ALA 271 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hml h ALA 271 CO -0.02 -0.04 -0.01 0.35 0.00 0.00 0.00 179.25 179.53 2hml h PHE 272 N -0.08 -0.02 -0.39 0.00 3.57 -0.41 -0.62 116.94 119.00 2hml h PHE 272 Ca 0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2hml h PHE 272 Cb 0.52 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2hml h PHE 272 CO 0.06 0.14 0.22 0.78 -2.23 0.00 0.00 178.31 177.29 2hml h GLY 273 N -0.17 0.58 1.18 2.40 0.00 -1.25 -2.22 103.07 103.59 2hml h GLY 273 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2hml h GLY 273 CO 0.00 0.25 0.55 -1.33 0.00 0.00 0.00 176.54 176.00 2hml h GLY 274 N 0.50 1.17 0.97 4.60 0.00 -1.27 -0.79 103.07 108.26 2hml h GLY 274 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2hml h GLY 274 CO -0.02 0.43 0.05 0.00 0.00 0.00 0.00 176.54 177.00 2hml h ALA 275 N 1.47 0.60 -0.30 3.60 0.00 -0.88 -2.02 119.26 121.73 2hml h ALA 275 Ca 0.30 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2hml h ALA 275 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2hml h ALA 275 CO -0.06 0.35 -0.50 -0.22 0.00 0.00 0.00 179.25 178.82 2hml h LYS 276 N 0.62 0.85 -0.82 0.00 3.64 -1.18 -2.88 116.57 116.79 2hml h LYS 276 Ca 0.13 -0.51 0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2hml h LYS 276 Cb 0.43 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 2hml h LYS 276 CO 0.01 1.14 0.42 0.37 -2.27 0.00 0.00 179.45 179.13 2hml h GLN 277 N 0.66 0.62 -0.45 1.90 4.15 -1.05 0.41 115.11 121.35 2hml h GLN 277 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2hml h GLN 277 Cb 1.09 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 2hml h GLN 277 CO 0.11 0.41 0.27 1.49 -1.93 0.00 0.00 178.83 179.18 2hml h GLU 278 N 0.64 0.61 -0.53 1.69 4.57 -1.15 -0.98 114.58 119.43 2hml h GLU 278 Ca 0.43 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.53 2hml h GLU 278 Cb 0.56 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2hml h GLU 278 CO -0.33 0.45 0.21 0.00 -1.18 0.00 0.00 179.01 178.15 2hml h ARG 279 N 0.60 0.80 0.00 1.92 3.08 -1.31 -3.22 114.38 116.25 2hml h ARG 279 Ca 0.16 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2hml h ARG 279 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2hml h ARG 279 CO -0.03 0.71 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.22 2hml h LEU 280 N 0.72 0.00 -0.97 3.04 3.38 -0.52 -3.05 115.31 117.92 2hml h LEU 280 Ca 0.18 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.39 2hml h LEU 280 Cb 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.83 2hml h LEU 280 CO -0.01 0.28 0.54 0.78 0.09 0.00 0.00 178.44 180.12 2hml h ASN 281 N 0.00 0.58 0.90 -0.43 2.35 -1.19 0.13 115.58 117.92 2hml h ASN 281 Ca -0.00 0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2hml h ASN 281 Cb 0.55 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2hml h ASN 281 CO 0.04 0.07 -0.53 0.11 -1.65 0.00 0.00 177.43 175.47 2hml h LYS 282 N 0.53 0.00 0.03 0.81 1.57 -1.72 -2.24 116.57 115.55 2hml h LYS 282 Ca 0.62 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 59.05 2hml h LYS 282 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 2hml h LYS 282 CO -0.49 0.53 -1.99 0.39 -0.57 0.00 0.00 179.45 177.32 2hml n GLU 283 N -3.53 0.64 0.00 3.15 -0.58 0.22 -4.68 120.64 115.86 2hml n GLU 283 Ca -0.00 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2hml n GLU 283 Cb 0.62 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 2hml n GLU 283 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2hml n ILE 284 N -3.93 0.00 0.00 -3.67 -5.35 0.20 -5.12 119.36 101.48 2hml n ILE 284 Ca -0.40 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 2hml n ILE 284 Cb 0.88 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.81 2hml n ILE 284 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hml n GLY 285 N 0.12 1.81 0.26 3.28 0.00 -0.84 -4.46 105.19 105.36 2hml n GLY 285 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 2hml n GLY 285 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hml h ASP 286 N 0.00 0.81 -0.09 1.61 3.32 -1.88 -0.99 116.42 119.20 2hml h ASP 286 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2hml h ASP 286 Cb 0.00 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2hml h ASP 286 CO 0.00 0.74 0.04 0.58 -1.72 0.00 0.00 179.24 178.88 2hml h VAL 287 N 0.83 1.15 -0.09 -1.35 2.07 -1.95 -1.25 116.25 115.65 2hml h VAL 287 Ca 0.20 -0.44 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 2hml h VAL 287 Cb 0.17 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2hml h VAL 287 CO -0.02 0.13 -0.66 0.03 0.02 0.00 0.00 177.57 177.07 2hml h ARG 288 N -0.01 0.35 -0.66 1.57 3.08 -1.76 -0.70 114.38 116.25 2hml h ARG 288 Ca 0.03 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.83 2hml h ARG 288 Cb 0.17 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2hml h ARG 288 CO -0.00 0.88 0.43 0.00 -1.07 0.00 0.00 179.97 180.21 2hml h ALA 289 N 1.05 1.53 -0.35 0.04 0.00 -1.09 -1.29 119.26 119.14 2hml h ALA 289 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2hml h ALA 289 Cb 1.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2hml h ALA 289 CO 0.11 0.44 -0.25 -0.09 0.00 0.00 0.00 179.25 179.46 2hml h ARG 290 N 0.89 0.78 -0.78 0.00 2.43 -0.64 -2.97 114.38 114.10 2hml h ARG 290 Ca 0.24 -0.38 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2hml h ARG 290 Cb -0.10 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 2hml h ARG 290 CO -0.05 1.00 0.45 0.82 -1.51 0.00 0.00 179.97 180.68 2hml h ILE 291 N 0.57 0.96 -0.83 1.20 2.04 -0.73 -1.81 117.51 118.91 2hml h ILE 291 Ca 0.07 -0.27 0.21 0.00 1.00 0.00 0.00 64.86 65.86 2hml h ILE 291 Cb 0.81 0.09 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 2hml h ILE 291 CO 0.07 0.15 0.12 0.22 0.00 0.00 0.00 178.15 178.70 2hml h TYR 292 N 0.80 0.14 -0.74 1.37 3.20 -1.08 -0.96 116.97 119.70 2hml h TYR 292 Ca 0.36 0.05 -0.33 0.00 3.14 0.00 0.00 58.73 61.96 2hml h TYR 292 Cb 0.25 0.07 -0.19 0.00 1.54 0.00 0.00 36.73 38.40 2hml h TYR 292 CO -0.06 -0.24 0.35 2.89 -1.64 0.00 0.00 178.16 179.46 2hml n ARG 293 N -5.30 2.65 -4.42 1.82 -4.01 -0.73 -4.67 116.66 102.01 2hml n ARG 293 Ca 0.18 -3.07 -0.31 0.00 -1.04 0.00 0.00 57.85 53.61 2hml n ARG 293 Cb 0.59 -2.10 -0.11 0.00 -3.04 0.00 0.00 32.46 27.81 2hml n ARG 293 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2hml s SER 294 N -1.52 4.41 -0.21 2.89 0.01 -0.37 -3.16 113.70 115.75 2hml s SER 294 Ca 0.53 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.23 2hml s SER 294 Cb 0.45 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 2hml s SER 294 CO 0.09 0.24 1.31 -2.28 0.41 0.00 0.00 173.24 173.02 2hml s HIS 295 N -1.06 2.71 -0.24 2.43 2.46 -0.86 -4.79 115.29 115.95 2hml s HIS 295 Ca 0.18 0.90 -0.06 0.00 0.47 0.00 0.00 55.06 56.55 2hml s HIS 295 Cb -0.11 -3.68 -0.02 0.00 -0.13 0.00 0.00 32.58 28.64 2hml s HIS 295 CO 0.09 -1.88 0.03 -0.51 -2.47 0.00 0.00 174.74 170.01 2hml s LEU 296 N 3.91 3.27 -0.40 8.88 1.43 -1.26 -1.00 118.68 133.51 2hml s LEU 296 Ca 0.57 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 2hml s LEU 296 Cb -0.21 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2hml s LEU 296 CO 0.19 -0.04 0.29 0.54 0.23 0.00 0.00 176.35 177.56 2hml s ASN 297 N 1.56 6.08 0.01 2.29 4.22 -0.62 -1.05 114.94 127.43 2hml s ASN 297 Ca 0.06 -0.88 0.03 0.00 -2.14 0.00 0.00 52.86 49.94 2hml s ASN 297 Cb -0.15 -2.15 -0.01 0.00 1.28 0.00 0.00 41.25 40.22 2hml s ASN 297 CO 0.01 -0.43 -0.11 0.00 -2.04 0.00 0.00 177.10 174.53 2hml s THR 299 N -0.44 2.67 -0.50 0.00 2.01 -0.61 -1.26 115.64 117.52 2hml s THR 299 Ca 0.02 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 2hml s THR 299 Cb -0.05 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.34 2hml s THR 299 CO 0.00 0.50 1.00 -0.69 -0.69 0.00 0.00 174.62 174.74 2hml s VAL 300 N 1.06 4.35 0.17 3.82 1.01 0.11 -2.12 120.40 128.79 2hml s VAL 300 Ca -0.01 0.75 -0.33 0.00 0.00 0.00 0.00 61.98 62.39 2hml s VAL 300 Cb -0.15 -4.53 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 2hml s VAL 300 CO -0.04 -0.99 1.25 0.33 0.00 0.00 0.00 175.10 175.65 2hml n PHE 301 N 7.52 1.53 -0.08 5.22 -0.00 -1.26 -2.61 117.46 127.78 2hml n PHE 301 Ca 0.07 0.61 -0.17 0.00 -0.00 0.00 0.00 57.45 57.96 2hml n PHE 301 Cb 0.48 -2.33 -0.13 0.00 -0.00 0.00 0.00 39.48 37.50 2hml n PHE 301 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2hml n PRO 302 N 1.98 0.69 -0.84 -7.13 -0.04 -1.26 -4.61 135.00 123.79 2hml n PRO 302 Ca 0.15 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.82 2hml n PRO 302 Cb 0.25 -1.60 0.08 0.00 -0.04 0.00 0.00 33.50 32.20 2hml n PRO 302 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hml n ASN 303 N -3.21 1.18 -4.29 3.54 6.94 -1.20 -4.91 115.26 113.30 2hml n ASN 303 Ca -0.37 -2.67 -0.33 0.00 -0.02 0.00 0.00 54.58 51.19 2hml n ASN 303 Cb 1.04 -0.36 -0.15 0.00 -2.36 0.00 0.00 39.78 37.95 2hml n ASN 303 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2hml s ASN 304 N -2.25 3.81 0.24 0.53 3.04 -1.07 -1.59 114.94 117.64 2hml s ASN 304 Ca 0.28 -0.43 0.05 0.00 0.04 0.00 0.00 52.86 52.80 2hml s ASN 304 Cb 0.29 -1.59 -0.05 0.00 -1.54 0.00 0.00 41.25 38.35 2hml s ASN 304 CO -0.08 0.09 -0.05 -0.44 -3.04 0.00 0.00 177.10 173.58 2hml s SER 305 N 0.79 2.29 0.09 -4.21 0.01 -0.26 0.04 113.70 112.45 2hml s SER 305 Ca -0.05 -1.17 -0.25 0.00 1.31 0.00 0.00 55.95 55.79 2hml s SER 305 Cb -0.15 -0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.06 2hml s SER 305 CO 0.01 -0.39 0.61 0.00 0.41 0.00 0.00 173.24 173.88 2hml s MET 306 N -3.78 1.20 -0.28 12.44 0.23 -0.39 -0.05 119.30 128.68 2hml s MET 306 Ca 0.27 -0.25 0.03 0.00 -1.03 0.00 0.00 55.69 54.71 2hml s MET 306 Cb 0.04 0.56 0.07 0.00 -1.53 0.00 0.00 34.83 33.97 2hml s MET 306 CO 0.09 -0.48 -0.06 -0.51 -2.03 0.00 0.00 175.02 172.03 2hml s LEU 307 N -2.26 3.64 0.71 0.18 1.43 -0.04 -1.61 118.68 120.73 2hml s LEU 307 Ca -0.03 -1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 51.38 2hml s LEU 307 Cb -0.01 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.73 2hml s LEU 307 CO -0.06 -0.25 1.09 0.42 0.23 0.00 0.00 176.35 177.78 2hml s THR 308 N 1.10 3.44 0.00 5.49 -4.23 -0.22 -0.94 115.64 120.27 2hml s THR 308 Ca -0.03 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2hml s THR 308 Cb -0.20 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2hml s THR 308 CO -0.06 -0.54 0.00 0.00 -0.54 0.00 0.00 174.62 173.48 2hml h SER 310 N 0.00 0.31 0.00 0.00 0.02 -1.75 -3.44 113.55 108.69 2hml h SER 310 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hml h SER 310 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2hml h SER 310 CO 0.00 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 2hml n GLY 311 N -1.52 0.46 3.75 -3.77 0.00 -0.12 -4.75 105.19 99.24 2hml n GLY 311 Ca 0.07 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 2hml n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hml s VAL 312 N -2.00 5.14 -0.07 1.61 1.01 -0.75 -0.36 120.40 124.97 2hml s VAL 312 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 2hml s VAL 312 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2hml s VAL 312 CO 0.00 0.40 -0.01 0.12 0.00 0.00 0.00 175.10 175.60 2hml s PHE 313 N 0.16 0.79 -0.02 5.22 5.36 -0.60 -0.86 117.98 128.03 2hml s PHE 313 Ca 0.25 -0.25 0.07 0.00 -0.96 0.00 0.00 56.93 56.03 2hml s PHE 313 Cb -0.15 -0.85 -0.02 0.00 -0.34 0.00 0.00 43.02 41.66 2hml s PHE 313 CO 0.11 -0.34 -0.23 0.15 -1.46 0.00 0.00 175.22 173.45 2hml s LYS 314 N 1.82 1.88 -0.14 10.12 -0.14 0.93 -0.42 119.74 133.79 2hml s LYS 314 Ca 0.03 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.84 2hml s LYS 314 Cb -0.12 -1.80 -0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2hml s LYS 314 CO -0.05 0.48 -0.18 0.08 -0.76 0.00 0.00 175.35 174.92 2hml s VAL 315 N -0.49 2.49 -0.95 3.17 1.01 -0.45 -1.10 120.40 124.08 2hml s VAL 315 Ca 0.08 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2hml s VAL 315 Cb -0.09 -2.03 0.23 0.00 0.00 0.00 0.00 36.38 34.49 2hml s VAL 315 CO -0.01 0.53 0.95 0.26 0.00 0.00 0.00 175.10 176.84 2hml s TRP 316 N 0.68 3.85 -0.19 5.22 0.52 -0.62 -1.11 118.94 127.28 2hml s TRP 316 Ca -0.09 -2.16 -0.29 0.00 0.02 0.00 0.00 56.10 53.58 2hml s TRP 316 Cb -0.16 -3.90 0.00 0.00 -1.15 0.00 0.00 33.47 28.26 2hml s TRP 316 CO 0.02 -1.05 1.02 -0.80 0.02 0.00 0.00 176.95 176.16 2hml s ASN 317 N 2.08 7.13 0.21 2.95 0.01 0.05 -4.87 114.94 122.51 2hml s ASN 317 Ca 0.25 1.41 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 2hml s ASN 317 Cb -0.09 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.95 2hml s ASN 317 CO -0.08 -0.60 1.07 -2.16 -1.51 0.00 0.00 177.10 173.82 2hml s PRO 318 N 2.84 4.65 -0.01 -0.60 0.04 -1.26 -0.16 135.00 140.50 2hml s PRO 318 Ca 0.45 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2hml s PRO 318 Cb -0.16 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2hml s PRO 318 CO 0.10 0.19 -0.05 -0.89 0.04 0.00 0.00 177.00 176.39 2hml n ILE 319 N 1.91 0.53 -3.58 0.56 2.08 -0.71 -4.30 119.36 115.85 2hml n ILE 319 Ca 0.01 0.07 -0.05 0.00 0.56 0.00 0.00 62.75 63.34 2hml n ILE 319 Cb 0.46 -1.60 -0.00 0.00 -0.75 0.00 0.00 39.64 37.75 2hml n ILE 319 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2hml n ASP 320 N -3.31 -0.75 0.29 4.38 5.68 -1.00 -4.98 116.55 116.87 2hml n ASP 320 Ca -0.06 -1.74 0.15 0.00 -0.50 0.00 0.00 54.79 52.64 2hml n ASP 320 Cb 0.41 1.31 0.89 0.00 -1.14 0.00 0.00 41.12 42.58 2hml n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hml h ALA 321 N 1.83 1.44 0.00 2.12 0.00 -1.88 -2.59 119.26 120.18 2hml h ALA 321 Ca -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2hml h ALA 321 Cb 0.51 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 2hml h ALA 321 CO 0.17 0.04 -0.59 0.09 0.00 0.00 0.00 179.25 178.96 2hml n ASN 322 N -3.76 1.56 -3.75 0.00 5.03 -1.26 -3.31 115.26 109.77 2hml n ASN 322 Ca -0.03 -3.41 -0.14 0.00 0.87 0.00 0.00 54.58 51.88 2hml n ASN 322 Cb 0.12 -0.47 -0.15 0.00 -1.02 0.00 0.00 39.78 38.27 2hml n ASN 322 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2hml s THR 323 N -2.46 -0.05 -0.01 3.41 2.01 -0.98 -2.70 115.64 114.87 2hml s THR 323 Ca 0.36 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.55 2hml s THR 323 Cb 0.36 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.65 2hml s THR 323 CO -0.08 0.07 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.01 2hml s THR 324 N 1.13 0.23 -0.39 -0.82 2.01 -0.40 -1.74 115.64 115.65 2hml s THR 324 Ca -0.09 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 2hml s THR 324 Cb -0.11 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.19 2hml s THR 324 CO -0.06 0.09 0.27 -0.70 -0.69 0.00 0.00 174.62 173.53 2hml s GLU 325 N 0.19 3.06 -0.27 4.92 2.12 0.77 -0.72 118.70 128.77 2hml s GLU 325 Ca -0.02 -0.95 -0.19 0.00 0.36 0.00 0.00 54.97 54.17 2hml s GLU 325 Cb -0.04 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 2hml s GLU 325 CO -0.00 -0.67 0.59 0.08 -0.54 0.00 0.00 175.26 174.71 2hml s VAL 326 N 1.67 5.00 -0.18 3.70 1.01 0.12 -0.77 120.40 130.96 2hml s VAL 326 Ca 0.05 0.97 -0.07 0.00 0.00 0.00 0.00 61.98 62.93 2hml s VAL 326 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2hml s VAL 326 CO 0.10 0.00 0.05 0.26 0.00 0.00 0.00 175.10 175.51 2hml s TRP 327 N 2.46 3.23 -0.19 5.22 0.52 -0.27 -1.73 118.94 128.18 2hml s TRP 327 Ca 0.24 0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.40 2hml s TRP 327 Cb -0.15 -2.06 0.04 0.00 -1.15 0.00 0.00 33.47 30.15 2hml s TRP 327 CO 0.09 0.14 -0.09 0.99 0.02 0.00 0.00 176.95 178.11 2hml s THR 328 N 0.33 1.53 0.35 2.01 2.01 -0.10 -1.34 115.64 120.43 2hml s THR 328 Ca 0.02 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.18 2hml s THR 328 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2hml s THR 328 CO 0.00 0.16 0.17 -0.31 -0.69 0.00 0.00 174.62 173.96 2hml s TYR 329 N 1.45 2.72 -0.05 4.92 1.51 0.44 -0.77 117.35 127.57 2hml s TYR 329 Ca -0.01 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2hml s TYR 329 Cb -0.16 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2hml s TYR 329 CO -0.08 0.29 0.05 0.00 -1.11 0.00 0.00 175.55 174.70 2hml s ALA 330 N -2.43 3.48 -0.09 3.71 0.00 -1.19 -1.55 121.76 123.69 2hml s ALA 330 Ca 0.39 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2hml s ALA 330 Cb -0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2hml s ALA 330 CO 0.23 0.64 -0.09 0.96 0.00 0.00 0.00 175.76 177.50 2hml s ILE 331 N -1.05 3.50 0.08 0.00 -4.36 0.51 -0.12 121.20 119.75 2hml s ILE 331 Ca 0.18 -0.54 0.04 0.00 -0.26 0.00 0.00 60.65 60.07 2hml s ILE 331 Cb -0.12 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2hml s ILE 331 CO 0.08 0.57 -0.10 0.68 0.24 0.00 0.00 174.94 176.40 2hml s VAL 332 N -0.41 0.88 0.04 8.37 -7.23 -0.42 -4.52 120.40 117.12 2hml s VAL 332 Ca 0.06 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2hml s VAL 332 Cb -0.12 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 2hml s VAL 332 CO 0.02 -0.44 1.14 -1.61 -0.31 0.00 0.00 175.10 173.89 2hml s GLU 333 N -2.27 4.47 0.32 4.82 2.02 -1.26 -0.49 118.70 126.30 2hml s GLU 333 Ca 0.00 1.67 0.07 0.00 0.02 0.00 0.00 54.97 56.73 2hml s GLU 333 Cb -0.06 -3.38 0.75 0.00 0.10 0.00 0.00 34.13 31.54 2hml s GLU 333 CO 0.01 -0.20 1.81 0.87 0.02 0.00 0.00 175.26 177.77 2hml h LYS 334 N 6.80 0.74 -0.31 1.61 1.57 -1.40 -1.60 116.57 123.98 2hml h LYS 334 Ca -0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2hml h LYS 334 Cb 1.22 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2hml h LYS 334 CO 0.79 0.49 0.00 -0.40 -0.57 0.00 0.00 179.45 179.76 2hml n ASP 335 N -4.67 1.67 -4.77 0.86 5.68 -1.26 -4.86 116.55 109.19 2hml n ASP 335 Ca 0.21 -1.99 -0.36 0.00 -0.50 0.00 0.00 54.79 52.16 2hml n ASP 335 Cb 0.53 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 2hml n ASP 335 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2hml s MET 336 N -1.59 3.57 0.53 0.11 -1.94 -0.60 -4.98 119.30 114.39 2hml s MET 336 Ca 0.21 1.66 -0.22 0.00 -1.71 0.00 0.00 55.69 55.63 2hml s MET 336 Cb 0.11 -2.19 -0.06 0.00 2.01 0.00 0.00 34.83 34.70 2hml s MET 336 CO 0.15 -0.68 1.30 -2.30 -0.01 0.00 0.00 175.02 173.47 2hml n PRO 337 N -0.92 1.66 -0.23 2.03 -0.02 -1.26 -4.80 135.00 131.46 2hml n PRO 337 Ca 0.10 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.23 2hml n PRO 337 Cb 0.50 -2.49 0.30 0.00 -0.02 0.00 0.00 33.50 31.79 2hml n PRO 337 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2hml h GLU 338 N 1.47 0.86 -0.47 -0.52 4.39 -1.94 -1.20 114.58 117.17 2hml h GLU 338 Ca -0.50 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.03 2hml h GLU 338 Cb 1.31 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 2hml h GLU 338 CO 0.57 0.57 -0.17 0.22 -1.16 0.00 0.00 179.01 179.03 2hml h ASP 339 N 0.88 0.93 -0.39 1.42 3.58 -2.00 -1.46 116.42 119.38 2hml h ASP 339 Ca 0.34 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2hml h ASP 339 Cb 0.21 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2hml h ASP 339 CO -0.12 1.08 0.19 0.25 -2.88 0.00 0.00 179.24 177.77 2hml h LEU 340 N 0.81 0.51 -0.62 2.28 5.85 -1.78 -2.03 115.31 120.33 2hml h LEU 340 Ca 0.12 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2hml h LEU 340 Cb 0.72 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2hml h LEU 340 CO 0.06 0.49 0.26 0.11 -0.34 0.00 0.00 178.44 179.02 2hml h LYS 341 N 0.50 0.45 -0.32 1.25 1.57 -0.87 0.25 116.57 119.39 2hml h LYS 341 Ca 0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2hml h LYS 341 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2hml h LYS 341 CO -0.02 0.30 0.14 -0.09 -0.57 0.00 0.00 179.45 179.21 2hml h ARG 342 N 0.46 0.48 -0.26 3.15 2.43 -1.15 -0.95 114.38 118.54 2hml h ARG 342 Ca 0.31 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2hml h ARG 342 Cb 0.34 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2hml h ARG 342 CO -0.28 0.47 -0.33 0.00 -1.51 0.00 0.00 179.97 178.33 2hml h ARG 343 N 0.38 0.56 -0.26 0.20 3.08 -0.94 -1.95 114.38 115.46 2hml h ARG 343 Ca 0.11 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2hml h ARG 343 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2hml h ARG 343 CO -0.01 0.82 0.09 1.25 -1.07 0.00 0.00 179.97 181.05 2hml h LEU 344 N 0.48 0.36 -0.27 3.04 5.85 -0.41 -0.17 115.31 124.20 2hml h LEU 344 Ca 0.06 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2hml h LEU 344 Cb 0.80 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2hml h LEU 344 CO 0.07 0.45 0.08 0.00 -0.34 0.00 0.00 178.44 178.69 2hml h ALA 345 N 0.93 0.29 -0.87 1.25 0.00 -1.03 -0.17 119.26 119.65 2hml h ALA 345 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2hml h ALA 345 Cb 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2hml h ALA 345 CO -0.00 -0.33 0.58 -0.44 0.00 0.00 0.00 179.25 179.05 2hml h ASP 346 N 0.19 0.95 0.10 0.00 3.32 -1.25 -2.56 116.42 117.16 2hml h ASP 346 Ca 0.12 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2hml h ASP 346 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2hml h ASP 346 CO -0.13 0.66 -0.55 -1.28 -1.72 0.00 0.00 179.24 176.21 2hml h SER 347 N 1.10 0.54 -0.14 6.45 0.87 -0.19 0.15 113.55 122.34 2hml h SER 347 Ca 0.34 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2hml h SER 347 Cb 0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2hml h SER 347 CO -0.10 0.98 -0.06 0.58 -0.53 0.00 0.00 176.83 177.70 2hml h VAL 348 N 0.37 0.80 -0.44 2.23 2.07 -0.75 -1.70 116.25 118.84 2hml h VAL 348 Ca 0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 2hml h VAL 348 Cb 1.08 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2hml h VAL 348 CO 0.10 0.00 -0.16 1.56 0.02 0.00 0.00 177.57 179.09 2hml h GLN 349 N -0.04 0.82 -0.99 1.57 1.08 -1.25 0.65 115.11 116.95 2hml h GLN 349 Ca 0.07 -0.30 0.08 0.00 -1.45 0.00 0.00 58.65 57.05 2hml h GLN 349 Cb 0.15 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.46 2hml h GLN 349 CO -0.16 0.93 0.63 -0.09 -0.95 0.00 0.00 178.83 179.18 2hml h ARG 350 N 0.73 1.07 0.06 1.46 2.43 -0.74 0.67 114.38 120.06 2hml h ARG 350 Ca 0.11 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 2hml h ARG 350 Cb 0.67 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2hml h ARG 350 CO 0.05 0.71 -1.82 0.25 -1.51 0.00 0.00 179.97 177.64 2hml n THR 351 N -4.55 1.65 -0.42 0.20 -2.24 -0.66 -2.28 114.28 105.98 2hml n THR 351 Ca 0.16 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2hml n THR 351 Cb 0.23 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 2hml n THR 351 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2hml n VAL 352 N -3.86 0.47 -0.67 2.28 0.24 0.20 -0.62 118.33 116.36 2hml n VAL 352 Ca -0.35 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2hml n VAL 352 Cb 0.90 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 2hml n VAL 352 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hml n GLY 353 N -0.24 -0.44 0.38 7.63 0.00 0.23 -4.66 105.19 108.09 2hml n GLY 353 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.46 2hml n GLY 353 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hml h PRO 354 N 0.00 0.55 -0.59 1.61 0.11 -1.93 0.37 132.00 132.11 2hml h PRO 354 Ca 0.00 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.72 2hml h PRO 354 Cb 0.00 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 30.77 2hml h PRO 354 CO 0.00 0.36 0.01 0.00 -0.21 0.00 0.00 178.00 178.16 2hml n ALA 355 N -2.46 4.91 -2.13 -0.75 0.00 -1.26 -5.02 120.51 113.79 2hml n ALA 355 Ca 0.18 -3.30 -0.43 0.00 0.00 0.00 0.00 53.44 49.90 2hml n ALA 355 Cb 0.56 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2hml n ALA 355 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hml s GLY 356 N -2.50 1.42 0.38 0.00 0.00 0.13 -4.79 107.32 101.97 2hml s GLY 356 Ca 0.50 0.65 0.13 0.00 0.00 0.00 0.00 44.72 46.00 2hml s GLY 356 CO 0.01 2.92 1.85 0.27 0.00 0.00 0.00 173.10 178.15 2hml h PHE 357 N 9.78 0.00 0.12 1.90 -0.00 -1.10 -1.35 116.94 126.29 2hml h PHE 357 Ca -0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.62 2hml h PHE 357 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 2hml h PHE 357 CO 0.88 0.35 -0.06 -1.49 -0.00 0.00 0.00 178.31 177.99 2hml h TRP 358 N 0.00 -0.15 -0.69 6.09 4.06 -1.14 -3.14 115.95 120.98 2hml h TRP 358 Ca -0.00 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.01 2hml h TRP 358 Cb 0.62 0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.79 2hml h TRP 358 CO 0.00 0.15 0.46 1.49 -3.56 0.00 0.00 178.44 176.97 2hml h GLU 359 N -0.46 0.67 -0.57 0.49 4.57 -1.15 -0.18 114.58 117.95 2hml h GLU 359 Ca -0.02 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 2hml h GLU 359 Cb 0.37 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2hml h GLU 359 CO 0.03 0.44 0.38 0.66 -1.18 0.00 0.00 179.01 179.34 2hml h SER 360 N 0.69 0.45 -0.22 1.04 4.64 -1.21 -1.35 113.55 117.59 2hml h SER 360 Ca 0.30 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.63 2hml h SER 360 Cb 0.30 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2hml h SER 360 CO -0.10 0.29 0.15 0.44 -0.87 0.00 0.00 176.83 176.74 2hml h ASP 361 N 0.51 0.24 1.71 4.97 3.32 -1.01 -2.88 116.42 123.27 2hml h ASP 361 Ca 0.25 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2hml h ASP 361 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2hml h ASP 361 CO -0.07 0.17 -0.29 0.44 -1.72 0.00 0.00 179.24 177.76 2hml h ASP 362 N 0.28 0.00 0.09 6.45 3.32 -1.28 -3.41 116.42 121.86 2hml h ASP 362 Ca 0.08 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2hml h ASP 362 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2hml h ASP 362 CO -0.02 0.04 -0.18 0.78 -1.72 0.00 0.00 179.24 178.14 2hml h ASN 363 N 0.00 -0.49 -0.33 6.45 -0.26 -1.40 -1.42 115.58 118.12 2hml h ASN 363 Ca -0.00 0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.71 2hml h ASN 363 Cb 1.03 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.46 2hml h ASN 363 CO 0.00 -0.25 -0.08 0.44 -1.06 0.00 0.00 177.43 176.49 2hml h ASP 364 N -0.34 0.72 -0.03 5.81 3.32 -1.80 0.25 116.42 124.36 2hml h ASP 364 Ca 0.03 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2hml h ASP 364 Cb 0.36 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2hml h ASP 364 CO -0.10 0.84 -0.02 0.78 -1.72 0.00 0.00 179.24 179.02 2hml h ASN 365 N 0.68 -0.05 -0.25 6.45 2.35 -1.70 -0.65 115.58 122.41 2hml h ASN 365 Ca 0.12 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2hml h ASN 365 Cb 0.53 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2hml h ASN 365 CO 0.03 -0.02 -0.01 0.24 -1.65 0.00 0.00 177.43 176.02 2hml h MET 366 N -0.01 0.45 -0.14 0.81 2.86 -1.00 -2.30 114.93 115.60 2hml h MET 366 Ca 0.02 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2hml h MET 366 Cb 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2hml h MET 366 CO -0.04 0.63 -0.07 0.93 1.06 0.00 0.00 176.91 179.42 2hml h GLU 367 N 0.22 0.29 -0.20 1.72 5.08 -0.90 -2.50 114.58 118.29 2hml h GLU 367 Ca 0.07 -0.13 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2hml h GLU 367 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2hml h GLU 367 CO 0.01 0.63 -0.69 1.79 -1.00 0.00 0.00 179.01 179.75 2hml h THR 368 N -0.05 1.28 -0.65 1.13 1.35 -1.19 -0.56 112.91 114.23 2hml h THR 368 Ca 0.03 -1.89 0.05 0.00 -0.55 0.00 0.00 66.41 64.05 2hml h THR 368 Cb 0.54 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 2hml h THR 368 CO 0.02 0.60 0.43 0.00 -0.25 0.00 0.00 175.52 176.33 2hml h ALA 369 N 0.65 1.71 -0.02 6.62 0.00 -1.48 0.22 119.26 126.96 2hml h ALA 369 Ca -0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2hml h ALA 369 Cb 1.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2hml h ALA 369 CO 0.14 0.20 -0.33 0.77 0.00 0.00 0.00 179.25 180.04 2hml h SER 370 N 0.71 0.33 0.13 0.00 0.02 -1.25 -3.27 113.55 110.21 2hml h SER 370 Ca 0.27 -0.72 -0.11 0.00 -0.84 0.00 0.00 61.79 60.39 2hml h SER 370 Cb 0.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2hml h SER 370 CO -0.08 1.01 -0.38 1.56 -1.14 0.00 0.00 176.83 177.80 2hml h GLN 371 N -0.32 0.34 0.00 3.45 4.20 -0.89 -2.42 115.11 119.48 2hml h GLN 371 Ca -0.03 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2hml h GLN 371 Cb 1.04 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 2hml h GLN 371 CO 0.07 0.67 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.97 2hml h ASN 372 N 0.29 0.00 0.19 1.46 2.35 -1.05 -1.49 115.58 117.33 2hml h ASN 372 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2hml h ASN 372 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2hml h ASN 372 CO 0.06 0.02 0.00 1.23 -1.65 0.00 0.00 177.43 177.09 2hml h GLY 373 N 0.17 0.00 1.07 2.83 0.00 -1.48 -1.90 103.07 103.76 2hml h GLY 373 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hml h GLY 373 CO 0.00 0.00 -0.90 0.50 0.00 0.00 0.00 176.54 176.15 2hml h LYS 374 N 0.00 0.00 -6.79 4.80 1.57 -1.42 -3.36 116.57 111.37 2hml h LYS 374 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2hml h LYS 374 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2hml h LYS 374 CO 0.00 0.00 0.45 0.15 -0.57 0.00 0.00 179.45 179.48 2hml s LYS 375 N -3.33 4.69 0.19 3.15 1.02 -0.72 -4.88 119.74 119.86 2hml s LYS 375 Ca 0.01 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 2hml s LYS 375 Cb 0.10 -3.21 0.16 0.00 -0.52 0.00 0.00 37.83 34.35 2hml s LYS 375 CO 0.77 0.28 1.80 -0.92 -0.92 0.00 0.00 175.35 176.36 2hml h TYR 376 N 3.92 0.55 0.00 3.18 3.20 -1.92 -1.44 116.97 124.45 2hml h TYR 376 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2hml h TYR 376 Cb 1.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2hml h TYR 376 CO 0.59 0.28 0.00 1.04 -1.64 0.00 0.00 178.16 178.43 2hml n GLN 377 N -4.84 0.30 -0.01 1.82 1.13 -1.26 -3.48 117.38 111.05 2hml n GLN 377 Ca 0.05 0.03 0.08 0.00 -1.94 0.00 0.00 57.00 55.21 2hml n GLN 377 Cb 0.13 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 2hml n GLN 377 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2hml n SER 378 N -1.34 1.31 -0.22 1.08 7.64 -0.60 -4.61 113.62 116.88 2hml n SER 378 Ca 0.12 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.02 2hml n SER 378 Cb 0.24 1.71 0.12 0.00 -1.01 0.00 0.00 64.21 65.27 2hml n SER 378 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2hml h ARG 379 N 0.00 0.14 -0.51 1.43 3.08 -1.43 -0.56 114.38 116.53 2hml h ARG 379 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2hml h ARG 379 Cb 0.78 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2hml h ARG 379 CO 0.00 0.09 0.00 -3.47 -1.07 0.00 0.00 179.97 175.52 2hml n ASP 380 N -5.26 2.72 -4.90 7.04 2.03 -1.26 -1.63 116.55 115.29 2hml n ASP 380 Ca 0.10 -2.00 -0.29 0.00 0.52 0.00 0.00 54.79 53.13 2hml n ASP 380 Cb 0.38 -0.34 0.02 0.00 -0.72 0.00 0.00 41.12 40.47 2hml n ASP 380 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2hml s SER 381 N -1.01 5.85 -0.25 1.67 0.01 -0.22 -4.87 113.70 114.88 2hml s SER 381 Ca 0.34 1.03 -0.07 0.00 1.31 0.00 0.00 55.95 58.57 2hml s SER 381 Cb 0.18 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 2hml s SER 381 CO 0.23 -0.99 0.05 -1.81 0.41 0.00 0.00 173.24 171.14 2hml s ASP 382 N -4.25 4.99 0.04 2.44 1.01 -1.26 -0.82 116.67 118.82 2hml s ASP 382 Ca 0.54 -0.34 -0.30 0.00 0.71 0.00 0.00 52.55 53.15 2hml s ASP 382 Cb -0.11 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.89 2hml s ASP 382 CO 0.49 -0.07 1.19 -0.76 0.21 0.00 0.00 175.17 176.23 2hml s LEU 383 N 1.57 4.36 -0.09 1.23 1.43 0.76 -4.87 118.68 123.06 2hml s LEU 383 Ca 0.06 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2hml s LEU 383 Cb -0.15 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 2hml s LEU 383 CO 0.02 -0.48 0.37 -0.76 0.23 0.00 0.00 176.35 175.73 2hml s LEU 384 N 1.23 4.34 -0.34 1.79 1.43 -1.26 -1.43 118.68 124.44 2hml s LEU 384 Ca 0.58 0.73 0.15 0.00 -1.03 0.00 0.00 54.13 54.57 2hml s LEU 384 Cb -0.28 -2.51 0.41 0.00 0.03 0.00 0.00 46.19 43.84 2hml s LEU 384 CO 0.28 0.17 0.88 -1.54 0.23 0.00 0.00 176.35 176.37 2hml n SER 385 N 2.92 1.03 -0.84 2.29 3.41 -0.13 -4.94 113.62 117.37 2hml n SER 385 Ca -0.12 -2.84 0.10 0.00 -0.26 0.00 0.00 58.87 55.75 2hml n SER 385 Cb 0.52 -0.47 0.11 0.00 -0.26 0.00 0.00 64.21 64.10 2hml n SER 385 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2hml n ASN 386 N 0.07 2.77 -4.66 4.04 6.94 -1.25 -4.60 115.26 118.58 2hml n ASN 386 Ca 0.15 -1.85 -0.42 0.00 -0.02 0.00 0.00 54.58 52.44 2hml n ASN 386 Cb 0.75 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 38.10 2hml n ASN 386 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2hml s LEU 387 N -1.58 4.37 0.00 -4.53 2.96 -1.26 -1.96 118.68 116.68 2hml s LEU 387 Ca 0.25 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 2hml s LEU 387 Cb 0.17 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.32 2hml s LEU 387 CO 0.25 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 174.93 2hml n GLY 388 N 4.26 0.79 3.75 7.98 0.00 -1.26 -1.68 105.19 119.02 2hml n GLY 388 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2hml n GLY 388 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hml s PHE 389 N -3.01 3.03 0.00 1.61 5.36 -0.83 -1.88 117.98 122.26 2hml s PHE 389 Ca 0.00 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 2hml s PHE 389 Cb 0.00 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 2hml s PHE 389 CO 0.00 -2.44 0.00 0.41 -1.46 0.00 0.00 175.22 171.73 2hml n GLY 390 N 1.86 0.78 0.00 13.12 0.00 -1.24 -4.88 105.19 114.82 2hml n GLY 390 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2hml n GLY 390 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hml n GLU 391 N -2.18 0.51 -2.79 1.61 -0.58 -0.79 -4.93 120.64 111.48 2hml n GLU 391 Ca 0.00 -0.87 -0.33 0.00 -0.42 0.00 0.00 57.16 55.53 2hml n GLU 391 Cb 0.00 -1.00 -0.07 0.00 -0.57 0.00 0.00 31.44 29.80 2hml n GLU 391 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2hml s ASP 392 N -0.38 6.89 0.31 1.62 1.01 -1.25 -4.67 116.67 120.21 2hml s ASP 392 Ca 0.00 1.71 0.09 0.00 0.71 0.00 0.00 52.55 55.05 2hml s ASP 392 Cb 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 2hml s ASP 392 CO 0.00 -0.40 -0.09 0.68 0.21 0.00 0.00 175.17 175.57 2hml s VAL 393 N -2.17 2.01 0.05 -1.27 -7.23 -0.11 -4.80 120.40 106.88 2hml s VAL 393 Ca 0.62 -2.19 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2hml s VAL 393 Cb -0.10 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2hml s VAL 393 CO 0.14 -0.27 -0.13 -0.47 -0.31 0.00 0.00 175.10 174.06 2hml s TYR 394 N -2.77 1.13 -0.30 2.82 5.04 -1.26 -0.10 117.35 121.91 2hml s TYR 394 Ca 0.31 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 2hml s TYR 394 Cb 0.02 -0.66 0.00 0.00 0.35 0.00 0.00 41.96 41.67 2hml s TYR 394 CO 0.14 0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.79 2hml n GLY 395 N 1.70 0.38 3.73 8.97 0.00 -1.24 -5.01 105.19 113.72 2hml n GLY 395 Ca -0.19 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 2hml n GLY 395 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hml n ASP 396 N 1.41 2.26 0.28 1.61 2.03 -1.26 -4.89 116.55 118.00 2hml n ASP 396 Ca -0.04 0.89 0.16 0.00 0.52 0.00 0.00 54.79 56.32 2hml n ASP 396 Cb 0.38 -1.56 0.81 0.00 -0.72 0.00 0.00 41.12 40.03 2hml n ASP 396 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hml h ALA 397 N 0.87 1.13 0.00 -1.67 0.00 -2.02 -3.34 119.26 114.23 2hml h ALA 397 Ca -0.51 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2hml h ALA 397 Cb 1.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2hml h ALA 397 CO 0.54 0.08 -1.41 0.28 0.00 0.00 0.00 179.25 178.75 2hml n VAL 398 N -3.36 0.41 -3.94 0.00 0.31 -1.26 -5.00 118.33 105.48 2hml n VAL 398 Ca -0.01 -0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 63.84 2hml n VAL 398 Cb 0.23 -1.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.91 2hml n VAL 398 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2hml s TYR 399 N -2.14 3.19 0.56 3.52 2.02 -1.25 -5.10 117.35 118.14 2hml s TYR 399 Ca -0.10 -1.79 -0.09 0.00 -0.37 0.00 0.00 57.07 54.72 2hml s TYR 399 Cb 0.03 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2hml s TYR 399 CO 0.15 -0.78 0.93 -1.25 -1.57 0.00 0.00 175.55 173.03 2hml s PRO 400 N 1.27 3.59 0.00 -1.71 0.04 -1.26 -4.02 135.00 132.90 2hml s PRO 400 Ca -0.03 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2hml s PRO 400 Cb -0.19 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2hml s PRO 400 CO -0.03 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2hml n GLY 401 N -2.51 -2.07 3.66 0.56 0.00 -1.26 -4.82 105.19 98.74 2hml n GLY 401 Ca 0.04 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2hml n GLY 401 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hml s VAL 402 N -0.29 4.85 -0.05 1.61 1.01 -0.81 -3.71 120.40 123.02 2hml s VAL 402 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.62 2hml s VAL 402 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2hml s VAL 402 CO 0.00 -0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.24 2hml s VAL 403 N 2.56 1.15 -0.29 2.92 1.01 0.86 -1.00 120.40 127.61 2hml s VAL 403 Ca 0.37 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2hml s VAL 403 Cb -0.16 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2hml s VAL 403 CO 0.09 0.35 0.12 -0.83 0.00 0.00 0.00 175.10 174.84 2hml s GLY 404 N 0.31 1.83 -1.44 4.51 0.00 0.06 -0.93 107.32 111.67 2hml s GLY 404 Ca -0.08 -1.28 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 2hml s GLY 404 CO 0.02 0.63 2.73 0.28 0.00 0.00 0.00 173.10 176.77 2hml n LYS 405 N 4.96 4.02 -3.70 2.90 5.02 -1.26 -0.57 118.16 129.53 2hml n LYS 405 Ca -0.15 -2.71 -0.14 0.00 -2.02 0.00 0.00 58.31 53.29 2hml n LYS 405 Cb 0.50 -2.70 -0.08 0.00 -0.02 0.00 0.00 35.03 32.73 2hml n LYS 405 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2hml s SER 406 N 1.37 -0.34 0.25 4.39 1.04 -1.19 -4.89 113.70 114.33 2hml s SER 406 Ca 0.63 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2hml s SER 406 Cb 0.19 0.45 0.30 0.00 0.10 0.00 0.00 66.02 67.06 2hml s SER 406 CO -0.08 -0.44 1.65 0.00 0.98 0.00 0.00 173.24 175.36 2hml h ALA 407 N 3.92 0.97 -3.15 5.32 0.00 -1.80 -3.23 119.26 121.28 2hml h ALA 407 Ca -0.29 -0.39 -0.66 0.00 0.00 0.00 0.00 54.91 53.57 2hml h ALA 407 Cb 1.17 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 18.49 2hml h ALA 407 CO 0.37 0.61 -0.85 0.42 0.00 0.00 0.00 179.25 179.80 2hml s ILE 408 N -4.38 2.03 0.00 0.00 1.01 -1.26 -4.65 121.20 113.95 2hml s ILE 408 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2hml s ILE 408 Cb 0.13 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2hml s ILE 408 CO 0.81 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.83 2hml n GLY 409 N 4.61 1.19 0.18 6.18 0.00 -1.26 -4.93 105.19 111.15 2hml n GLY 409 Ca -0.20 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2hml n GLY 409 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hml n GLU 410 N 0.00 0.96 -0.23 1.61 1.02 -0.68 -4.71 120.64 118.61 2hml n GLU 410 Ca 0.00 -2.19 0.01 0.00 -0.02 0.00 0.00 57.16 54.96 2hml n GLU 410 Cb 0.00 -1.25 0.08 0.00 -0.02 0.00 0.00 31.44 30.25 2hml n GLU 410 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2hml h THR 411 N 1.76 0.33 0.00 2.62 2.02 -1.89 -2.26 112.91 115.49 2hml h THR 411 Ca -0.00 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 2hml h THR 411 Cb 1.10 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2hml h THR 411 CO 0.00 0.00 -0.57 0.28 0.37 0.00 0.00 175.52 175.60 2hml h SER 412 N 0.01 0.00 -0.16 4.18 0.02 -1.86 -2.48 113.55 113.26 2hml h SER 412 Ca 0.33 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 2hml h SER 412 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2hml h SER 412 CO -0.69 0.57 0.04 1.88 -1.14 0.00 0.00 176.83 177.49 2hml h TYR 413 N 0.00 0.06 -0.71 3.45 -1.99 -1.75 -1.83 116.97 114.20 2hml h TYR 413 Ca -0.01 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.77 2hml h TYR 413 Cb 1.10 -0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.78 2hml h TYR 413 CO 0.00 0.02 0.45 0.00 -0.00 0.00 0.00 178.16 178.63 2hml h ARG 414 N 0.10 0.84 -0.15 4.88 3.08 -1.00 -0.01 114.38 122.13 2hml h ARG 414 Ca 0.07 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 2hml h ARG 414 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2hml h ARG 414 CO -0.09 0.56 -0.64 0.78 -1.07 0.00 0.00 179.97 179.51 2hml h GLY 415 N 0.87 0.62 0.92 0.04 0.00 -1.47 -0.21 103.07 103.83 2hml h GLY 415 Ca 0.29 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2hml h GLY 415 CO -0.11 0.70 -0.17 -2.75 0.00 0.00 0.00 176.54 174.21 2hml h PHE 416 N 0.41 -0.44 0.00 5.60 3.04 -0.96 -2.44 116.94 122.14 2hml h PHE 416 Ca -0.01 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.79 2hml h PHE 416 Cb 1.21 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 2hml h PHE 416 CO 0.05 -0.27 -0.68 1.88 -2.02 0.00 0.00 178.31 177.28 2hml h TYR 417 N -0.43 0.00 -0.41 0.41 0.05 -1.00 -0.99 116.97 114.60 2hml h TYR 417 Ca -0.03 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.80 2hml h TYR 417 Cb 0.36 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 2hml h TYR 417 CO -0.09 0.68 0.14 -0.09 -1.05 0.00 0.00 178.16 177.75 2hml h ARG 418 N 0.00 0.29 -0.39 4.88 2.43 -1.03 -0.93 114.38 119.64 2hml h ARG 418 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2hml h ARG 418 Cb 1.25 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2hml h ARG 418 CO 0.09 0.19 0.08 0.00 -1.51 0.00 0.00 179.97 178.83 2hml h ALA 419 N 1.27 0.51 -0.01 2.80 0.00 -1.21 -1.52 119.26 121.10 2hml h ALA 419 Ca 0.19 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2hml h ALA 419 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2hml h ALA 419 CO -0.20 0.20 -0.20 -0.92 0.00 0.00 0.00 179.25 178.14 2hml h TYR 420 N 0.49 -0.51 -0.79 0.00 3.20 -1.01 -1.61 116.97 116.73 2hml h TYR 420 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2hml h TYR 420 Cb 0.33 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2hml h TYR 420 CO 0.02 -0.28 0.49 0.37 -1.64 0.00 0.00 178.16 177.12 2hml h GLN 421 N -0.31 1.05 -0.80 1.82 5.75 -1.10 -0.35 115.11 121.18 2hml h GLN 421 Ca 0.06 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2hml h GLN 421 Cb 0.39 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 2hml h GLN 421 CO -0.19 0.73 0.53 0.00 -2.65 0.00 0.00 178.83 177.25 2hml h ALA 422 N 1.27 1.43 -0.08 3.38 0.00 -0.97 -2.05 119.26 122.23 2hml h ALA 422 Ca 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2hml h ALA 422 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2hml h ALA 422 CO -0.06 0.53 -0.11 0.45 0.00 0.00 0.00 179.25 180.06 2hml h HIS 423 N 1.09 0.25 -0.50 0.00 3.86 -0.79 -3.02 115.15 116.04 2hml h HIS 423 Ca 0.29 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 2hml h HIS 423 Cb -0.12 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 2hml h HIS 423 CO -0.00 0.68 0.33 0.28 0.86 0.00 0.00 177.93 180.09 2hml h VAL 424 N -0.25 1.03 -0.22 2.45 2.07 -0.83 -1.46 116.25 119.04 2hml h VAL 424 Ca 0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2hml h VAL 424 Cb 0.65 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2hml h VAL 424 CO 0.02 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.17 2hml n SER 425 N -4.47 2.36 -4.50 0.57 3.41 -0.79 -4.72 113.62 105.48 2hml n SER 425 Ca 0.06 -1.81 -0.30 0.00 -0.26 0.00 0.00 58.87 56.56 2hml n SER 425 Cb 0.18 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 2hml n SER 425 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2hml s SER 426 N -1.61 3.96 0.06 4.04 0.01 -0.55 -4.58 113.70 115.01 2hml s SER 426 Ca 0.34 -0.51 0.23 0.00 1.31 0.00 0.00 55.95 57.33 2hml s SER 426 Cb 0.20 -0.61 0.10 0.00 0.21 0.00 0.00 66.02 65.92 2hml s SER 426 CO 0.29 0.19 1.07 -1.20 0.41 0.00 0.00 173.24 174.00 2hml n SER 427 N 0.92 0.62 -3.28 2.44 7.64 -1.26 -4.92 113.62 115.78 2hml n SER 427 Ca -0.15 -0.19 -0.06 0.00 1.01 0.00 0.00 58.87 59.48 2hml n SER 427 Cb 0.53 0.70 0.01 0.00 -1.01 0.00 0.00 64.21 64.44 2hml n SER 427 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hml s ASN 428 N -3.91 -0.04 0.32 6.43 2.20 -1.26 -5.05 114.94 113.64 2hml s ASN 428 Ca 0.04 -0.81 0.00 0.00 -0.94 0.00 0.00 52.86 51.15 2hml s ASN 428 Cb 0.14 0.65 0.54 0.00 -2.00 0.00 0.00 41.25 40.59 2hml s ASN 428 CO 0.79 -1.27 1.97 -0.50 -2.94 0.00 0.00 177.10 175.15 2hml h TRP 429 N 2.00 0.88 -0.55 1.54 4.06 -1.95 -2.04 115.95 119.89 2hml h TRP 429 Ca -0.28 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.68 2hml h TRP 429 Cb 1.23 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 2hml h TRP 429 CO 1.17 0.58 0.36 0.00 -3.56 0.00 0.00 178.44 176.98 2hml h ALA 430 N 1.53 0.70 -0.61 1.49 0.00 -1.97 0.65 119.26 121.06 2hml h ALA 430 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2hml h ALA 430 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2hml h ALA 430 CO -0.05 0.15 -0.01 0.93 0.00 0.00 0.00 179.25 180.27 2hml h GLU 431 N 0.75 1.08 -0.57 0.00 5.08 -1.91 -0.84 114.58 118.17 2hml h GLU 431 Ca 0.20 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2hml h GLU 431 Cb -0.07 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2hml h GLU 431 CO -0.04 1.06 0.34 0.35 -1.00 0.00 0.00 179.01 179.72 2hml h PHE 432 N 0.98 0.63 -0.48 4.33 3.57 -0.85 0.11 116.94 125.23 2hml h PHE 432 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2hml h PHE 432 Cb 0.58 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2hml h PHE 432 CO 0.04 0.35 0.26 0.93 -2.23 0.00 0.00 178.31 177.67 2hml h GLU 433 N 0.67 0.66 -0.59 1.11 4.39 -0.52 -1.09 114.58 119.21 2hml h GLU 433 Ca 0.23 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2hml h GLU 433 Cb 0.04 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2hml h GLU 433 CO -0.11 0.52 0.20 1.25 -1.16 0.00 0.00 179.01 179.71 2hml h HIS 434 N 0.63 0.88 0.00 4.33 2.76 -0.83 -1.38 115.15 121.55 2hml h HIS 434 Ca 0.17 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2hml h HIS 434 Cb 0.05 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.74 2hml h HIS 434 CO -0.02 0.70 0.00 0.00 -1.30 0.00 0.00 177.93 177.32 2hml n ALA 435 N -2.45 2.13 -0.50 5.26 0.00 -0.00 -3.56 120.51 121.38 2hml n ALA 435 Ca 0.05 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2hml n ALA 435 Cb 0.19 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.32 2hml n ALA 435 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hml n SER 436 N -1.38 2.07 0.17 0.00 7.64 -0.48 -4.75 113.62 116.89 2hml n SER 436 Ca 0.09 -2.43 0.14 0.00 1.01 0.00 0.00 58.87 57.67 2hml n SER 436 Cb 0.22 -0.18 0.54 0.00 -1.01 0.00 0.00 64.21 63.78 2hml n SER 436 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2hml h SER 437 N 0.00 0.00 -0.30 6.43 4.64 -1.52 -2.52 113.55 120.29 2hml h SER 437 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2hml h SER 437 Cb 0.73 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.59 2hml h SER 437 CO 0.00 0.00 -0.73 0.35 -0.87 0.00 0.00 176.83 175.58 2hml n THR 438 N -2.49 1.97 -0.20 2.95 -2.24 -1.26 -4.92 114.28 108.08 2hml n THR 438 Ca 0.02 -3.28 -0.01 0.00 -2.27 0.00 0.00 64.05 58.51 2hml n THR 438 Cb 0.26 -0.26 0.10 0.00 -2.10 0.00 0.00 70.33 68.34 2hml n THR 438 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2hml h TRP 439 N 1.56 0.43 0.09 4.78 5.08 -1.78 -1.05 115.95 125.06 2hml h TRP 439 Ca 0.09 0.03 -0.25 0.00 1.08 0.00 0.00 58.89 59.83 2hml h TRP 439 Cb 1.32 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2hml h TRP 439 CO 0.70 0.13 -1.14 1.12 -1.28 0.00 0.00 178.44 177.97 2hml h HIS 440 N 0.44 0.47 -0.50 0.12 2.07 -1.91 -2.43 115.15 113.41 2hml h HIS 440 Ca 0.30 -0.32 0.04 0.00 -2.85 0.00 0.00 60.37 57.54 2hml h HIS 440 Cb 0.34 -0.03 -0.04 0.00 2.57 0.00 0.00 27.41 30.25 2hml h HIS 440 CO -0.15 1.21 0.26 1.15 -3.07 0.00 0.00 177.93 177.33 2hml h THR 441 N 0.10 0.97 -0.91 6.12 2.02 -1.88 -1.57 112.91 117.76 2hml h THR 441 Ca -0.11 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.93 2hml h THR 441 Cb 1.84 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2hml h THR 441 CO 0.19 0.09 0.59 -0.08 0.37 0.00 0.00 175.52 176.68 2hml h GLU 442 N 0.50 1.13 0.00 6.66 4.81 -1.05 -2.85 114.58 123.78 2hml h GLU 442 Ca 0.22 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2hml h GLU 442 Cb 0.12 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2hml h GLU 442 CO -0.15 0.75 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.37 2hml h LEU 443 N 1.16 0.00 -2.22 1.64 3.38 -1.08 -3.29 115.31 114.90 2hml h LEU 443 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2hml h LEU 443 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2hml h LEU 443 CO -0.11 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.21 2hml n THR 444 N -3.44 0.46 -0.86 0.22 -2.24 -0.62 -4.76 114.28 103.03 2hml n THR 444 Ca 0.00 -0.71 -0.34 0.00 -2.27 0.00 0.00 64.05 60.73 2hml n THR 444 Cb 0.59 0.96 0.09 0.00 -2.10 0.00 0.00 70.33 69.87 2hml n THR 444 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hml n LYS 445 N 1.41 -0.34 -0.32 -0.78 5.02 -1.10 -4.76 118.16 117.29 2hml n LYS 445 Ca 0.19 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2hml n LYS 445 Cb 0.59 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2hml n LYS 445 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29