#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m2p s LEU 1 N 0.00 4.51 -0.30 2.46 1.02 -1.26 -4.95 118.68 120.16 3m2p s LEU 1 Ca 0.00 1.42 -0.08 0.00 0.02 0.00 0.00 54.13 55.49 3m2p s LEU 1 Cb 0.00 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 43.04 3m2p s LEU 1 CO 0.00 0.20 0.11 -0.54 0.02 0.00 0.00 176.35 176.15 3m2p s LYS 2 N -1.31 3.20 -0.33 1.70 1.02 -1.26 -0.75 119.74 122.00 3m2p s LYS 2 Ca 0.34 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3m2p s LYS 2 Cb -0.20 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.74 3m2p s LYS 2 CO 0.22 -0.43 0.05 0.42 -0.92 0.00 0.00 175.35 174.69 3m2p s ILE 3 N 1.55 2.65 0.17 2.17 1.01 -0.44 0.20 121.20 128.50 3m2p s ILE 3 Ca 0.03 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.43 3m2p s ILE 3 Cb -0.17 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 3m2p s ILE 3 CO 0.04 -0.42 1.32 0.00 0.00 0.00 0.00 174.94 175.88 3m2p s ALA 4 N 1.07 3.53 -0.45 9.38 0.00 -0.75 -1.80 121.76 132.74 3m2p s ALA 4 Ca 0.03 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3m2p s ALA 4 Cb -0.20 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.55 3m2p s ALA 4 CO -0.05 -0.54 0.19 0.08 0.00 0.00 0.00 175.76 175.44 3m2p s VAL 5 N 0.36 2.69 0.06 0.00 1.01 0.13 -1.02 120.40 123.64 3m2p s VAL 5 Ca 0.58 -2.76 -0.34 0.00 0.00 0.00 0.00 61.98 59.46 3m2p s VAL 5 Cb -0.36 -2.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.99 3m2p s VAL 5 CO 0.36 -0.72 1.65 0.41 0.00 0.00 0.00 175.10 176.80 3m2p n THR 6 N 3.77 0.19 -0.68 3.92 -1.04 -1.02 -2.33 114.28 117.09 3m2p n THR 6 Ca 0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3m2p n THR 6 Cb 0.38 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 3m2p n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m2p n GLY 7 N 3.66 0.72 0.06 3.41 0.00 -1.24 -0.96 105.19 110.84 3m2p n GLY 7 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3m2p n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m2p n GLY 8 N -2.44 -0.60 0.08 -0.02 0.00 -0.99 -1.56 105.19 99.66 3m2p n GLY 8 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3m2p n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m2p h THR 9 N 0.00 0.87 -2.57 2.61 2.02 -1.87 -3.10 112.91 110.87 3m2p h THR 9 Ca 0.00 -2.72 -0.27 0.00 0.77 0.00 0.00 66.41 64.20 3m2p h THR 9 Cb 0.09 2.43 0.14 0.00 -1.74 0.00 0.00 68.15 69.08 3m2p h THR 9 CO 0.00 0.51 -0.02 0.61 0.37 0.00 0.00 175.52 176.99 3m2p n GLY 10 N 1.56 -3.28 0.00 2.16 0.00 -0.60 -4.63 105.19 100.39 3m2p n GLY 10 Ca -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3m2p n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m2p n PHE 11 N -4.56 0.00 -0.24 1.61 7.35 -1.26 -1.91 117.46 118.44 3m2p n PHE 11 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.76 3m2p n PHE 11 Cb 0.41 -0.39 0.14 0.00 0.35 0.00 0.00 39.48 39.99 3m2p n PHE 11 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3m2p h LEU 12 N 0.00 0.97 -1.00 -2.13 5.85 -1.93 -2.43 115.31 114.64 3m2p h LEU 12 Ca 0.00 -0.13 0.35 0.00 0.84 0.00 0.00 57.88 58.95 3m2p h LEU 12 Cb 0.00 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 40.62 3m2p h LEU 12 CO 0.00 0.85 0.56 1.23 -0.34 0.00 0.00 178.44 180.74 3m2p h GLY 13 N 1.10 2.14 2.00 3.75 0.00 -1.67 0.13 103.07 110.52 3m2p h GLY 13 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 3m2p h GLY 13 CO -0.03 -0.59 -0.44 1.46 0.00 0.00 0.00 176.54 176.94 3m2p h GLN 14 N 0.22 0.00 -0.03 4.80 4.20 -0.86 -1.70 115.11 121.75 3m2p h GLN 14 Ca 0.77 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.38 3m2p h GLN 14 Cb 1.85 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.64 3m2p h GLN 14 CO -0.66 0.44 -0.37 1.88 -0.67 0.00 0.00 178.83 179.45 3m2p h TYR 15 N 0.00 0.43 -0.97 2.96 0.05 -0.84 -2.99 116.97 115.61 3m2p h TYR 15 Ca -0.00 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.59 3m2p h TYR 15 Cb 1.04 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.67 3m2p h TYR 15 CO 0.00 0.99 0.64 0.28 -1.05 0.00 0.00 178.16 179.02 3m2p h VAL 16 N -0.25 1.19 -0.31 -2.88 2.07 -1.13 -1.53 116.25 113.41 3m2p h VAL 16 Ca -0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3m2p h VAL 16 Cb 1.07 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3m2p h VAL 16 CO 0.07 0.23 0.20 0.58 0.02 0.00 0.00 177.57 178.68 3m2p h VAL 17 N 1.26 1.09 -0.53 2.57 2.07 -1.41 -1.44 116.25 119.86 3m2p h VAL 17 Ca 0.38 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3m2p h VAL 17 Cb -0.05 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3m2p h VAL 17 CO -0.11 0.09 0.32 -0.08 0.02 0.00 0.00 177.57 177.80 3m2p h GLU 18 N 0.42 0.71 0.00 1.57 4.57 -1.20 -2.01 114.58 118.65 3m2p h GLU 18 Ca 0.11 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3m2p h GLU 18 Cb -0.03 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 3m2p h GLU 18 CO -0.02 0.52 -0.35 0.77 -1.18 0.00 0.00 179.01 178.74 3m2p h SER 19 N 0.71 0.00 -0.00 1.04 0.02 -1.19 -0.77 113.55 113.36 3m2p h SER 19 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3m2p h SER 19 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m2p h SER 19 CO -0.04 0.35 -0.00 0.40 -1.14 0.00 0.00 176.83 176.41 3m2p h ILE 20 N 0.00 1.35 -0.17 3.27 2.04 -0.85 -2.87 117.51 120.28 3m2p h ILE 20 Ca -0.00 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 64.87 3m2p h ILE 20 Cb 0.75 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 3m2p h ILE 20 CO 0.05 0.27 -0.11 0.50 0.00 0.00 0.00 178.15 178.86 3m2p h LYS 21 N -0.44 -0.10 0.00 2.37 3.64 -1.09 -1.19 116.57 119.76 3m2p h LYS 21 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3m2p h LYS 21 Cb 0.44 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3m2p h LYS 21 CO 0.00 -0.07 0.00 0.09 -2.27 0.00 0.00 179.45 177.20 3m2p n ASN 22 N -5.26 0.23 -0.14 4.20 3.02 -0.32 -1.65 115.26 115.34 3m2p n ASN 22 Ca -0.02 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.23 3m2p n ASN 22 Cb 0.18 -0.63 0.14 0.00 -0.61 0.00 0.00 39.78 38.86 3m2p n ASN 22 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3m2p n ASP 23 N -1.80 1.02 0.00 6.41 2.03 -0.46 -4.94 116.55 118.81 3m2p n ASP 23 Ca 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.49 3m2p n ASP 23 Cb 0.06 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3m2p n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m2p n GLY 24 N 1.45 0.58 3.88 0.27 0.00 -0.66 -5.09 105.19 105.62 3m2p n GLY 24 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3m2p n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m2p s ASN 25 N -2.37 5.00 -0.35 1.61 0.01 -1.13 -3.29 114.94 114.41 3m2p s ASN 25 Ca 0.00 -0.79 -0.08 0.00 -0.71 0.00 0.00 52.86 51.28 3m2p s ASN 25 Cb 0.00 -0.49 0.04 0.00 0.41 0.00 0.00 41.25 41.21 3m2p s ASN 25 CO 0.00 -0.69 0.14 -0.89 -1.51 0.00 0.00 177.10 174.15 3m2p s THR 26 N -2.50 4.04 0.52 1.60 2.01 0.07 -3.79 115.64 117.59 3m2p s THR 26 Ca 0.47 -1.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 3m2p s THR 26 Cb -0.03 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 3m2p s THR 26 CO 0.27 -0.22 1.19 -2.84 -0.69 0.00 0.00 174.62 172.33 3m2p s PRO 27 N 1.45 3.44 -0.27 4.92 0.02 -1.26 -1.33 135.00 141.96 3m2p s PRO 27 Ca -0.00 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.78 3m2p s PRO 27 Cb -0.20 -2.20 0.10 0.00 0.02 0.00 0.00 34.50 32.22 3m2p s PRO 27 CO 0.04 -0.83 0.15 0.42 -0.33 0.00 0.00 177.00 176.45 3m2p s ILE 28 N -1.58 -0.12 -0.55 2.83 1.01 -0.74 -4.15 121.20 117.90 3m2p s ILE 28 Ca 0.69 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 3m2p s ILE 28 Cb -0.29 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.27 3m2p s ILE 28 CO 0.34 -0.62 1.41 -0.63 0.00 0.00 0.00 174.94 175.44 3m2p s ILE 29 N 2.15 3.80 0.05 2.92 1.09 -0.58 -0.69 121.20 129.93 3m2p s ILE 29 Ca 0.08 0.70 -0.30 0.00 -1.10 0.00 0.00 60.65 60.02 3m2p s ILE 29 Cb -0.16 -4.43 -0.05 0.00 -1.06 0.00 0.00 42.46 36.77 3m2p s ILE 29 CO -0.32 -1.14 1.09 -0.76 -0.10 0.00 0.00 174.94 173.70 3m2p s LEU 30 N 5.99 4.38 -0.02 2.97 1.02 -0.98 -1.50 118.68 130.55 3m2p s LEU 30 Ca 0.53 1.86 -0.10 0.00 0.02 0.00 0.00 54.13 56.43 3m2p s LEU 30 Cb -0.11 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.54 3m2p s LEU 30 CO 0.26 -0.34 0.22 0.28 0.02 0.00 0.00 176.35 176.78 3m2p s THR 31 N 0.89 0.06 0.34 5.49 -1.32 -0.37 -3.72 115.64 117.01 3m2p s THR 31 Ca 0.55 -0.52 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 3m2p s THR 31 Cb -0.25 -0.50 0.21 0.00 -1.51 0.00 0.00 72.50 70.45 3m2p s THR 31 CO 0.29 -0.29 1.94 0.03 -2.21 0.00 0.00 174.62 174.38 3m2p h ARG 32 N 4.29 0.73 -1.76 7.08 2.47 -1.86 0.25 114.38 125.58 3m2p h ARG 32 Ca -0.30 -0.09 0.07 0.00 -1.26 0.00 0.00 59.98 58.40 3m2p h ARG 32 Cb 1.19 -0.14 -0.21 0.00 -1.65 0.00 0.00 29.97 29.16 3m2p h ARG 32 CO 0.40 0.58 0.50 -1.54 0.56 0.00 0.00 179.97 180.46 3m2p s SER 33 N -6.58 -0.40 -0.05 7.04 1.04 -1.26 -4.36 113.70 109.13 3m2p s SER 33 Ca -0.09 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.73 3m2p s SER 33 Cb 0.17 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3m2p s SER 33 CO 0.77 -0.43 -0.19 -0.63 0.98 0.00 0.00 173.24 173.74 3m2p s ILE 34 N -1.56 2.67 0.02 -1.02 1.01 -1.26 -5.06 121.20 116.00 3m2p s ILE 34 Ca -0.01 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3m2p s ILE 34 Cb -0.01 -2.02 -0.15 0.00 0.01 0.00 0.00 42.46 40.30 3m2p s ILE 34 CO 0.00 0.58 1.22 1.23 0.00 0.00 0.00 174.94 177.97 3m2p h GLY 35 N 5.62 0.00 -1.15 6.18 0.00 -2.04 -3.54 103.07 108.14 3m2p h GLY 35 Ca -0.41 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3m2p h GLY 35 CO 0.50 0.00 -0.06 -1.72 0.00 0.00 0.00 176.54 175.26 3m2p n TYR 42 N -3.26 -0.23 -3.40 5.60 4.01 -1.26 -5.33 117.16 113.29 3m2p n TYR 42 Ca -0.02 0.12 -0.37 0.00 -0.16 0.00 0.00 57.90 57.47 3m2p n TYR 42 Cb 0.90 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.66 3m2p n TYR 42 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3m2p s GLU 43 N -3.44 4.01 0.02 -0.72 2.12 -1.26 -5.03 118.70 114.40 3m2p s GLU 43 Ca 0.00 0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.93 3m2p s GLU 43 Cb 0.00 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 3m2p s GLU 43 CO 0.00 0.62 -0.26 0.71 -0.54 0.00 0.00 175.26 175.79 3m2p s TYR 44 N -1.20 2.32 -0.10 5.30 1.51 -1.26 -1.53 117.35 122.40 3m2p s TYR 44 Ca 0.29 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3m2p s TYR 44 Cb -0.17 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3m2p s TYR 44 CO 0.17 0.06 -0.08 1.03 -1.11 0.00 0.00 175.55 175.62 3m2p s ARG 45 N -1.01 1.48 0.08 -0.62 0.52 -0.56 -4.94 118.95 113.90 3m2p s ARG 45 Ca 0.11 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 3m2p s ARG 45 Cb -0.10 -1.47 -0.05 0.00 0.52 0.00 0.00 34.95 33.84 3m2p s ARG 45 CO 0.01 -0.19 1.10 0.08 0.02 0.00 0.00 175.30 176.32 3m2p s VAL 46 N 1.45 4.24 0.08 3.52 1.01 -1.26 -1.24 120.40 128.21 3m2p s VAL 46 Ca -0.00 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.72 3m2p s VAL 46 Cb -0.13 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3m2p s VAL 46 CO -0.05 0.18 -0.12 -0.55 0.00 0.00 0.00 175.10 174.56 3m2p s SER 47 N 0.69 1.50 -0.08 3.32 0.15 0.08 -4.91 113.70 114.45 3m2p s SER 47 Ca 0.54 -0.70 0.18 0.00 0.70 0.00 0.00 55.95 56.67 3m2p s SER 47 Cb -0.27 -0.02 0.65 0.00 -1.71 0.00 0.00 66.02 64.68 3m2p s SER 47 CO 0.30 -0.17 1.56 -0.90 1.20 0.00 0.00 173.24 175.23 3m2p n ASP 48 N 0.96 4.36 -0.99 5.45 5.68 -1.26 -4.18 116.55 126.57 3m2p n ASP 48 Ca -0.19 -2.33 -0.11 0.00 -0.50 0.00 0.00 54.79 51.66 3m2p n ASP 48 Cb 0.56 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 39.97 3m2p n ASP 48 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3m2p n TYR 49 N 1.09 -0.18 -2.38 2.11 4.01 -1.26 -4.95 117.16 115.60 3m2p n TYR 49 Ca 0.24 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.65 3m2p n TYR 49 Cb 0.79 -2.46 -0.02 0.00 -0.31 0.00 0.00 39.34 37.33 3m2p n TYR 49 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3m2p s THR 50 N -1.82 4.01 0.12 -0.72 -4.23 -1.26 -4.82 115.64 106.91 3m2p s THR 50 Ca 0.00 1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 61.29 3m2p s THR 50 Cb 0.00 -3.50 -0.10 0.00 1.34 0.00 0.00 72.50 70.25 3m2p s THR 50 CO 0.00 -0.43 1.58 0.25 -0.54 0.00 0.00 174.62 175.48 3m2p h LEU 51 N 1.10 -1.36 -0.15 4.79 6.46 -1.92 -1.28 115.31 122.95 3m2p h LEU 51 Ca -0.48 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.49 3m2p h LEU 51 Cb 1.21 0.52 -0.06 0.00 -0.73 0.00 0.00 40.66 41.60 3m2p h LEU 51 CO 0.59 -0.48 -0.22 -0.33 -0.62 0.00 0.00 178.44 177.38 3m2p h GLU 52 N -0.62 -0.26 -0.43 1.25 4.39 -1.95 -1.45 114.58 115.51 3m2p h GLU 52 Ca 0.03 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.83 3m2p h GLU 52 Cb 0.68 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 3m2p h GLU 52 CO -0.31 -0.17 0.05 0.22 -1.16 0.00 0.00 179.01 177.63 3m2p h ASP 53 N -0.27 -0.08 -0.54 1.42 3.58 -1.87 -2.48 116.42 116.18 3m2p h ASP 53 Ca 0.11 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.56 3m2p h ASP 53 Cb 0.42 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 3m2p h ASP 53 CO -0.30 -0.01 0.04 -0.07 -2.88 0.00 0.00 179.24 176.02 3m2p h LEU 54 N 0.16 0.93 -0.78 2.28 3.38 -0.86 -0.94 115.31 119.48 3m2p h LEU 54 Ca 0.21 -0.23 0.15 0.00 0.09 0.00 0.00 57.88 58.10 3m2p h LEU 54 Cb 0.29 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 3m2p h LEU 54 CO -0.32 0.97 0.34 0.40 0.09 0.00 0.00 178.44 179.92 3m2p h ILE 55 N 0.90 0.67 0.03 1.22 2.04 -0.84 -1.76 117.51 119.76 3m2p h ILE 55 Ca 0.17 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3m2p h ILE 55 Cb 0.47 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3m2p h ILE 55 CO 0.02 0.09 -0.01 0.78 0.00 0.00 0.00 178.15 179.03 3m2p h ASN 56 N 0.49 -0.03 0.21 1.72 -0.26 -0.98 -3.13 115.58 113.60 3m2p h ASN 56 Ca 0.43 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3m2p h ASN 56 Cb 0.65 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 3m2p h ASN 56 CO -0.40 0.36 0.00 0.00 -1.06 0.00 0.00 177.43 176.34 3m2p n GLN 57 N -4.92 0.11 -0.32 0.81 1.13 -0.44 -2.82 117.38 110.93 3m2p n GLN 57 Ca -0.08 0.52 0.09 0.00 -1.94 0.00 0.00 57.00 55.59 3m2p n GLN 57 Cb 0.21 -1.80 0.22 0.00 0.11 0.00 0.00 30.24 28.98 3m2p n GLN 57 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3m2p n LEU 58 N -2.02 3.35 -0.59 1.08 4.77 -0.70 -4.74 117.00 118.16 3m2p n LEU 58 Ca 0.00 -3.06 0.09 0.00 -0.03 0.00 0.00 56.01 53.01 3m2p n LEU 58 Cb 0.08 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 40.98 3m2p n LEU 58 CO 0.10 0.70 0.73 -0.46 -1.33 0.00 0.00 177.39 177.14 3m2p n ASN 59 N -0.85 1.75 -0.20 -1.43 6.94 -1.13 -3.21 115.26 117.14 3m2p n ASN 59 Ca 0.20 -1.79 0.06 0.00 -0.02 0.00 0.00 54.58 53.03 3m2p n ASN 59 Cb 0.81 -0.14 0.09 0.00 -2.36 0.00 0.00 39.78 38.17 3m2p n ASN 59 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3m2p n ASP 60 N 0.40 1.57 -4.66 0.53 5.75 -1.26 -5.10 116.55 113.79 3m2p n ASP 60 Ca 0.15 -2.69 -0.34 0.00 -0.01 0.00 0.00 54.79 51.91 3m2p n ASP 60 Cb 0.32 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 3m2p n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3m2p s VAL 61 N -1.89 4.08 -0.24 2.12 1.01 -1.20 -4.77 120.40 119.52 3m2p s VAL 61 Ca 0.21 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3m2p s VAL 61 Cb 0.18 -2.75 -0.16 0.00 0.00 0.00 0.00 36.38 33.65 3m2p s VAL 61 CO 0.02 0.50 -0.07 0.47 0.00 0.00 0.00 175.10 176.02 3m2p n ASP 62 N 1.82 1.93 -4.23 3.32 8.00 0.13 -4.85 116.55 122.68 3m2p n ASP 62 Ca -0.17 0.33 -0.26 0.00 0.71 0.00 0.00 54.79 55.40 3m2p n ASP 62 Cb 0.53 -0.85 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 3m2p n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m2p s ALA 63 N -2.46 2.94 -0.02 2.24 0.00 -1.12 -4.52 121.76 118.82 3m2p s ALA 63 Ca -0.33 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3m2p s ALA 63 Cb 0.10 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.93 3m2p s ALA 63 CO 0.56 -0.31 0.02 0.08 0.00 0.00 0.00 175.76 176.11 3m2p s VAL 64 N -3.20 0.01 -0.32 0.00 1.01 -0.90 -1.81 120.40 115.20 3m2p s VAL 64 Ca 0.24 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 3m2p s VAL 64 Cb 0.03 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.32 3m2p s VAL 64 CO 0.14 0.10 0.06 -0.69 0.00 0.00 0.00 175.10 174.71 3m2p s VAL 65 N 1.03 3.53 -0.51 2.92 1.01 -0.19 -0.96 120.40 127.23 3m2p s VAL 65 Ca -0.09 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 3m2p s VAL 65 Cb -0.13 -2.97 0.09 0.00 0.00 0.00 0.00 36.38 33.37 3m2p s VAL 65 CO -0.03 -0.09 0.50 -2.28 0.00 0.00 0.00 175.10 173.20 3m2p s HIS 66 N 1.37 3.18 -0.03 5.22 2.46 0.19 -2.44 115.29 125.24 3m2p s HIS 66 Ca -0.02 -0.95 0.01 0.00 0.47 0.00 0.00 55.06 54.58 3m2p s HIS 66 Cb -0.19 -3.49 -0.01 0.00 -0.13 0.00 0.00 32.58 28.76 3m2p s HIS 66 CO 0.01 -0.95 0.04 1.28 -2.47 0.00 0.00 174.74 172.65 3m2p n LEU 67 N 5.52 0.03 -4.67 8.88 4.77 -0.13 -1.80 117.00 129.61 3m2p n LEU 67 Ca -0.11 -0.30 -0.49 0.00 -0.03 0.00 0.00 56.01 55.08 3m2p n LEU 67 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3m2p n LEU 67 CO 0.51 0.01 1.52 0.00 -1.33 0.00 0.00 177.39 178.10 3m2p n ALA 68 N -1.23 0.88 -3.15 -1.18 0.00 -1.09 -4.78 120.51 109.96 3m2p n ALA 68 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 3m2p n ALA 68 Cb 0.02 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 16.91 3m2p n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m2p s ALA 69 N 4.42 -0.33 0.11 0.00 0.00 -1.26 -4.94 121.76 119.76 3m2p s ALA 69 Ca 0.94 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.22 3m2p s ALA 69 Cb -0.70 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3m2p s ALA 69 CO 0.52 -0.83 -0.23 0.99 0.00 0.00 0.00 175.76 176.21 3m2p s THR 70 N -3.99 1.89 -0.05 0.00 2.01 -1.26 -5.04 115.64 109.19 3m2p s THR 70 Ca 0.20 -1.60 0.17 0.00 0.31 0.00 0.00 61.69 60.77 3m2p s THR 70 Cb -0.00 -1.70 -0.27 0.00 0.01 0.00 0.00 72.50 70.54 3m2p s THR 70 CO 0.06 0.00 0.33 0.54 -0.69 0.00 0.00 174.62 174.86 3m2p n ARG 71 N 1.07 0.69 -1.77 4.92 5.12 -1.26 -5.02 116.66 120.41 3m2p n ARG 71 Ca -0.19 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 3m2p n ARG 71 Cb 0.53 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 3m2p n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m2p n GLY 72 N 1.58 -4.74 0.20 -0.13 0.00 -1.26 -4.80 105.19 96.04 3m2p n GLY 72 Ca -0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 3m2p n GLY 72 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m2p h SER 73 N 2.70 0.92 0.26 1.61 4.64 -1.97 -3.38 113.55 118.33 3m2p h SER 73 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 3m2p h SER 73 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3m2p h SER 73 CO 0.00 1.51 -0.12 0.00 -0.87 0.00 0.00 176.83 177.34 3m2p n GLN 74 N -3.87 0.86 -2.06 4.77 1.13 -1.26 -4.91 117.38 112.03 3m2p n GLN 74 Ca -0.10 -0.37 -0.14 0.00 -1.94 0.00 0.00 57.00 54.45 3m2p n GLN 74 Cb 0.85 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.69 3m2p n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m2p n GLY 75 N 1.26 0.18 3.68 1.08 0.00 -1.26 -5.03 105.19 105.11 3m2p n GLY 75 Ca 0.15 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3m2p n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m2p s LYS 76 N -4.34 2.88 0.28 1.61 1.02 -1.26 -5.02 119.74 114.90 3m2p s LYS 76 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.51 3m2p s LYS 76 Cb 0.00 -2.72 0.39 0.00 -0.52 0.00 0.00 37.83 34.98 3m2p s LYS 76 CO 0.00 0.66 1.68 0.97 -0.92 0.00 0.00 175.35 177.74 3m2p h ILE 77 N 3.82 1.30 -0.05 2.17 6.09 -2.02 -2.67 117.51 126.15 3m2p h ILE 77 Ca -0.50 -1.48 0.01 0.00 -1.37 0.00 0.00 64.86 61.53 3m2p h ILE 77 Cb 1.18 1.59 -0.00 0.00 0.47 0.00 0.00 36.82 40.06 3m2p h ILE 77 CO 0.56 0.45 0.06 0.77 -3.07 0.00 0.00 178.15 176.92 3m2p h SER 78 N 0.30 0.00 0.15 2.19 4.64 -2.01 0.53 113.55 119.35 3m2p h SER 78 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3m2p h SER 78 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3m2p h SER 78 CO 0.06 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.69 3m2p h GLU 79 N 0.00 0.00 -0.01 4.77 5.08 -1.90 -2.50 114.58 120.02 3m2p h GLU 79 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3m2p h GLU 79 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3m2p h GLU 79 CO -0.00 0.00 -0.11 1.19 -1.00 0.00 0.00 179.01 179.09 3m2p n PHE 80 N -2.90 0.00 0.06 4.33 3.01 0.17 -4.63 117.46 117.50 3m2p n PHE 80 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.45 3m2p n PHE 80 Cb 0.10 0.00 0.33 0.00 -0.01 0.00 0.00 39.48 39.89 3m2p n PHE 80 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3m2p h HIS 81 N 1.90 0.40 -0.33 1.38 3.86 -1.44 -2.43 115.15 118.49 3m2p h HIS 81 Ca 0.00 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3m2p h HIS 81 Cb 0.46 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3m2p h HIS 81 CO 0.00 0.48 -0.09 -0.44 0.86 0.00 0.00 177.93 178.74 3m2p h ASP 82 N 0.36 0.54 -0.25 2.45 3.32 -1.82 -2.25 116.42 118.76 3m2p h ASP 82 Ca 0.07 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3m2p h ASP 82 Cb 0.40 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3m2p h ASP 82 CO 0.02 0.67 -0.01 0.78 -1.72 0.00 0.00 179.24 178.98 3m2p h ASN 83 N 0.52 0.54 0.22 6.45 -0.26 -1.76 -0.67 115.58 120.62 3m2p h ASN 83 Ca 0.10 -0.11 -0.25 0.00 -0.56 0.00 0.00 56.30 55.48 3m2p h ASN 83 Cb 0.47 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.60 3m2p h ASN 83 CO 0.03 0.61 -1.02 -0.33 -1.06 0.00 0.00 177.43 175.65 3m2p h GLU 84 N 0.54 0.52 -0.50 0.81 5.08 -1.29 -0.53 114.58 119.21 3m2p h GLU 84 Ca 0.11 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 3m2p h GLU 84 Cb 0.36 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3m2p h GLU 84 CO 0.01 1.21 0.09 0.82 -1.00 0.00 0.00 179.01 180.14 3m2p h ILE 85 N 0.28 1.25 -0.65 3.13 2.04 -1.31 -2.55 117.51 119.69 3m2p h ILE 85 Ca -0.11 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 3m2p h ILE 85 Cb 1.67 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3m2p h ILE 85 CO 0.19 0.33 0.08 0.25 0.00 0.00 0.00 178.15 178.99 3m2p h LEU 86 N 0.71 1.05 -0.50 1.44 6.46 -1.02 -1.35 115.31 122.10 3m2p h LEU 86 Ca 0.15 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 3m2p h LEU 86 Cb 0.39 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3m2p h LEU 86 CO 0.01 1.06 0.19 0.74 -0.62 0.00 0.00 178.44 179.81 3m2p h THR 87 N 1.01 1.21 -0.50 1.05 2.02 -1.07 -1.16 112.91 115.48 3m2p h THR 87 Ca 0.19 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 3m2p h THR 87 Cb 0.47 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3m2p h THR 87 CO 0.02 0.25 -0.05 -0.61 0.37 0.00 0.00 175.52 175.50 3m2p h GLN 88 N 0.66 0.92 -0.50 6.66 4.15 -1.11 -1.41 115.11 124.48 3m2p h GLN 88 Ca 0.16 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 3m2p h GLN 88 Cb 0.21 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3m2p h GLN 88 CO -0.01 0.97 0.21 -0.91 -1.93 0.00 0.00 178.83 177.16 3m2p h ASN 89 N 0.78 0.67 -0.68 -0.69 -0.26 -1.18 0.86 115.58 115.09 3m2p h ASN 89 Ca 0.14 -0.16 0.07 0.00 -0.56 0.00 0.00 56.30 55.79 3m2p h ASN 89 Cb 0.59 -0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.61 3m2p h ASN 89 CO 0.04 0.65 0.36 0.25 -1.06 0.00 0.00 177.43 177.66 3m2p h LEU 90 N 0.66 0.50 -0.20 1.61 5.85 -1.09 -1.00 115.31 121.64 3m2p h LEU 90 Ca 0.17 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3m2p h LEU 90 Cb 0.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3m2p h LEU 90 CO -0.02 0.31 -0.21 1.88 -0.34 0.00 0.00 178.44 180.06 3m2p h TYR 91 N 0.64 0.59 -0.97 1.25 0.05 -0.74 -0.62 116.97 117.16 3m2p h TYR 91 Ca 0.32 -0.18 0.24 0.00 0.05 0.00 0.00 58.73 59.16 3m2p h TYR 91 Cb 0.26 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.81 3m2p h TYR 91 CO -0.09 0.85 0.64 -0.44 -1.05 0.00 0.00 178.16 178.07 3m2p h ASP 92 N 0.16 0.37 0.29 3.88 3.32 -0.58 -1.69 116.42 122.16 3m2p h ASP 92 Ca 0.03 0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.80 3m2p h ASP 92 Cb 0.76 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 40.33 3m2p h ASP 92 CO 0.05 0.11 -1.49 0.00 -1.72 0.00 0.00 179.24 176.19 3m2p h ALA 93 N 1.60 -0.11 -0.93 3.45 0.00 -0.74 -2.41 119.26 120.11 3m2p h ALA 93 Ca 0.52 -0.89 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3m2p h ALA 93 Cb 1.40 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 3m2p h ALA 93 CO -0.20 0.75 0.60 0.00 0.00 0.00 0.00 179.25 180.41 3m2p h TYR 95 N 0.96 0.57 0.00 0.00 3.20 -1.22 0.57 116.97 121.05 3m2p h TYR 95 Ca 0.43 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 3m2p h TYR 95 Cb 0.37 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3m2p h TYR 95 CO -0.00 0.61 -0.10 0.93 -1.64 0.00 0.00 178.16 177.96 3m2p h GLU 96 N 0.36 0.00 -0.23 1.82 4.39 -1.06 -2.60 114.58 117.25 3m2p h GLU 96 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3m2p h GLU 96 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3m2p h GLU 96 CO 0.01 0.10 0.00 0.09 -1.16 0.00 0.00 179.01 178.05 3m2p n ASN 97 N -3.88 3.16 -1.94 1.42 3.02 -0.74 -4.96 115.26 111.34 3m2p n ASN 97 Ca -0.02 -1.97 -0.16 0.00 -0.03 0.00 0.00 54.58 52.39 3m2p n ASN 97 Cb 0.19 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3m2p n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3m2p n ASN 98 N 1.36 -4.85 -4.63 6.41 5.03 -0.55 -5.00 115.26 113.02 3m2p n ASN 98 Ca 0.17 -0.05 -0.38 0.00 0.87 0.00 0.00 54.58 55.19 3m2p n ASN 98 Cb 0.59 -3.92 -0.09 0.00 -1.02 0.00 0.00 39.78 35.33 3m2p n ASN 98 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3m2p s ILE 99 N -2.85 5.26 -0.10 2.41 1.01 0.19 -4.93 121.20 122.19 3m2p s ILE 99 Ca 0.05 0.39 0.04 0.00 0.00 0.00 0.00 60.65 61.13 3m2p s ILE 99 Cb -0.02 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 3m2p s ILE 99 CO 0.06 0.24 -0.03 -1.54 0.00 0.00 0.00 174.94 173.67 3m2p n SER 100 N 4.86 3.00 -4.55 3.58 3.41 -1.26 -4.26 113.62 118.39 3m2p n SER 100 Ca -0.12 -0.03 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 3m2p n SER 100 Cb 0.51 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 3m2p n SER 100 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3m2p s ASN 101 N -4.55 6.03 0.09 4.04 3.04 -1.26 -0.44 114.94 121.89 3m2p s ASN 101 Ca -0.09 -0.39 0.07 0.00 0.04 0.00 0.00 52.86 52.49 3m2p s ASN 101 Cb 0.03 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 37.15 3m2p s ASN 101 CO 0.31 -1.91 -0.18 -0.63 -3.04 0.00 0.00 177.10 171.64 3m2p s ILE 102 N 6.24 1.46 -0.05 -5.21 1.01 -1.16 -2.11 121.20 121.39 3m2p s ILE 102 Ca 0.41 -1.43 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3m2p s ILE 102 Cb -0.08 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.06 3m2p s ILE 102 CO 0.14 -0.12 -0.05 -0.69 0.00 0.00 0.00 174.94 174.23 3m2p s VAL 103 N -1.19 0.59 -0.08 2.92 1.01 -0.13 -0.97 120.40 122.55 3m2p s VAL 103 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3m2p s VAL 103 Cb -0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3m2p s VAL 103 CO 0.03 0.24 -0.23 -0.47 0.00 0.00 0.00 175.10 174.66 3m2p s TYR 104 N 0.88 2.53 -0.50 5.22 5.04 -0.94 0.56 117.35 130.13 3m2p s TYR 104 Ca -0.12 -0.85 -0.28 0.00 -2.44 0.00 0.00 57.07 53.38 3m2p s TYR 104 Cb -0.14 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.51 3m2p s TYR 104 CO 0.01 -0.30 1.43 0.00 -1.34 0.00 0.00 175.55 175.35 3m2p s ALA 105 N 0.08 2.88 0.22 3.97 0.00 -0.75 -1.17 121.76 127.00 3m2p s ALA 105 Ca -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3m2p s ALA 105 Cb -0.16 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 18.93 3m2p s ALA 105 CO 0.06 -2.76 0.12 0.45 0.00 0.00 0.00 175.76 173.63 3m2p n SER 106 N 9.41 1.94 -4.01 0.00 2.88 0.26 -4.93 113.62 119.17 3m2p n SER 106 Ca 0.14 -1.81 -0.09 0.00 -1.33 0.00 0.00 58.87 55.79 3m2p n SER 106 Cb 0.49 0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 3m2p n SER 106 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m2p s THR 107 N -1.28 0.19 0.48 2.46 -1.32 -1.25 -1.26 115.64 113.66 3m2p s THR 107 Ca 0.09 -1.12 0.34 0.00 -1.21 0.00 0.00 61.69 59.80 3m2p s THR 107 Cb -0.01 -0.56 0.37 0.00 -1.51 0.00 0.00 72.50 70.79 3m2p s THR 107 CO 0.06 -0.59 2.19 -0.29 -2.21 0.00 0.00 174.62 173.78 3m2p h ILE 108 N 4.32 0.29 0.00 5.08 2.10 -0.94 -2.35 117.51 126.02 3m2p h ILE 108 Ca -0.33 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3m2p h ILE 108 Cb 1.20 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 3m2p h ILE 108 CO 0.46 0.04 0.00 -1.20 -1.08 0.00 0.00 178.15 176.37 3m2p n SER 109 N -3.41 0.11 0.10 2.19 7.64 -1.26 -1.10 113.62 117.88 3m2p n SER 109 Ca -0.02 -0.46 0.12 0.00 1.01 0.00 0.00 58.87 59.52 3m2p n SER 109 Cb 0.17 -0.06 0.24 0.00 -1.01 0.00 0.00 64.21 63.55 3m2p n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m2p h ALA 110 N 1.35 0.77 -1.70 -0.43 0.00 -1.71 -3.36 119.26 114.18 3m2p h ALA 110 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3m2p h ALA 110 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3m2p h ALA 110 CO 0.00 0.00 -0.50 0.71 0.00 0.00 0.00 179.25 179.46 3m2p s TYR 111 N -3.17 2.66 0.00 0.00 2.02 -0.26 -1.72 117.35 116.89 3m2p s TYR 111 Ca 0.07 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3m2p s TYR 111 Cb 0.12 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3m2p s TYR 111 CO 0.68 0.20 0.00 -1.13 -1.57 0.00 0.00 175.55 173.73 3m2p n SER 112 N -1.25 0.00 -4.52 2.29 3.41 -1.22 -4.45 113.62 107.88 3m2p n SER 112 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.22 3m2p n SER 112 Cb 0.63 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 3m2p n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3m2p n ASP 113 N -1.37 0.94 0.01 4.04 -0.08 -1.26 -4.74 116.55 114.08 3m2p n ASP 113 Ca 0.00 -0.15 0.01 0.00 -1.51 0.00 0.00 54.79 53.14 3m2p n ASP 113 Cb 0.00 -1.15 0.04 0.00 2.34 0.00 0.00 41.12 42.35 3m2p n ASP 113 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3m2p n GLU 114 N 8.53 0.01 0.00 -0.67 1.02 -1.26 -1.83 120.64 126.44 3m2p n GLU 114 Ca 0.56 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 58.35 3m2p n GLU 114 Cb 0.23 -1.53 0.67 0.00 -0.02 0.00 0.00 31.44 30.79 3m2p n GLU 114 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3m2p n THR 115 N -1.55 0.00 0.06 2.62 -1.04 -1.26 -4.25 114.28 108.86 3m2p n THR 115 Ca -0.00 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 61.98 3m2p n THR 115 Cb 0.00 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3m2p n THR 115 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3m2p n SER 116 N -1.05 0.82 -4.77 8.00 2.88 -0.76 -5.05 113.62 113.68 3m2p n SER 116 Ca 0.15 -0.91 -0.38 0.00 -1.33 0.00 0.00 58.87 56.40 3m2p n SER 116 Cb 0.26 0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 3m2p n SER 116 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m2p s LEU 117 N -0.68 4.23 0.40 2.46 1.43 -1.26 -4.21 118.68 121.06 3m2p s LEU 117 Ca 0.01 2.33 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 3m2p s LEU 117 Cb 0.01 -3.98 -0.11 0.00 0.03 0.00 0.00 46.19 42.15 3m2p s LEU 117 CO 0.03 -0.60 0.95 -2.16 0.23 0.00 0.00 176.35 174.80 3m2p s PRO 118 N -2.21 4.31 -0.05 1.29 0.05 -1.26 -5.13 135.00 132.00 3m2p s PRO 118 Ca 0.56 1.18 -0.26 0.00 0.05 0.00 0.00 61.00 62.53 3m2p s PRO 118 Cb -0.31 -2.34 -0.03 0.00 0.05 0.00 0.00 34.50 31.88 3m2p s PRO 118 CO 0.39 0.04 0.82 -1.58 0.05 0.00 0.00 177.00 176.71 3m2p s TRP 119 N -2.03 3.60 0.54 0.56 0.51 -1.04 -4.51 118.94 116.56 3m2p s TRP 119 Ca 0.59 1.43 0.03 0.00 -2.12 0.00 0.00 56.10 56.03 3m2p s TRP 119 Cb -0.12 -2.95 0.02 0.00 -0.81 0.00 0.00 33.47 29.62 3m2p s TRP 119 CO 0.16 0.02 0.21 0.54 -0.51 0.00 0.00 176.95 177.37 3m2p s ASN 120 N 0.91 4.39 0.57 2.95 2.20 -1.26 0.31 114.94 125.00 3m2p s ASN 120 Ca 0.43 -1.48 0.35 0.00 -0.94 0.00 0.00 52.86 51.22 3m2p s ASN 120 Cb -0.19 0.56 1.61 0.00 -2.00 0.00 0.00 41.25 41.22 3m2p s ASN 120 CO 0.22 -1.02 2.08 -0.33 -2.94 0.00 0.00 177.10 175.10 3m2p h GLU 121 N 1.01 0.00 0.00 3.55 3.07 -1.94 -0.58 114.58 119.69 3m2p h GLU 121 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3m2p h GLU 121 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3m2p h GLU 121 CO 0.65 0.03 0.00 1.63 -1.40 0.00 0.00 179.01 179.92 3m2p n LYS 122 N -3.18 0.09 -1.71 2.33 4.76 -1.26 -4.83 118.16 114.36 3m2p n LYS 122 Ca -0.01 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.15 3m2p n LYS 122 Cb 0.25 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3m2p n LYS 122 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3m2p n GLU 123 N -1.79 2.49 -1.90 1.97 4.07 -0.23 -4.94 120.64 120.31 3m2p n GLU 123 Ca 0.05 0.89 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 3m2p n GLU 123 Cb 0.32 -2.66 -0.03 0.00 -0.06 0.00 0.00 31.44 29.02 3m2p n GLU 123 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3m2p s LEU 124 N 0.26 4.37 0.43 4.31 1.43 -1.26 -4.97 118.68 123.24 3m2p s LEU 124 Ca 0.70 2.48 -0.25 0.00 -1.03 0.00 0.00 54.13 56.03 3m2p s LEU 124 Cb -0.56 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 3m2p s LEU 124 CO 0.43 -0.92 1.23 -2.84 0.23 0.00 0.00 176.35 174.49 3m2p s PRO 125 N 3.08 3.85 -0.43 1.29 0.02 -1.26 -4.88 135.00 136.67 3m2p s PRO 125 Ca 0.76 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.81 3m2p s PRO 125 Cb -0.39 -2.59 0.17 0.00 0.02 0.00 0.00 34.50 31.71 3m2p s PRO 125 CO 0.33 -0.53 0.54 -1.17 -0.33 0.00 0.00 177.00 175.84 3m2p s LEU 126 N -2.71 -0.67 0.49 -5.54 2.96 -0.70 -5.02 118.68 107.48 3m2p s LEU 126 Ca 0.60 -1.57 -0.23 0.00 -0.22 0.00 0.00 54.13 52.71 3m2p s LEU 126 Cb -0.34 1.20 -0.07 0.00 0.50 0.00 0.00 46.19 47.49 3m2p s LEU 126 CO 0.42 -0.17 1.33 -2.84 -1.32 0.00 0.00 176.35 173.77 3m2p s PRO 127 N 1.24 3.49 0.00 0.98 0.02 -1.23 -3.46 135.00 136.05 3m2p s PRO 127 Ca 0.22 2.18 0.22 0.00 0.02 0.00 0.00 61.00 63.63 3m2p s PRO 127 Cb -0.06 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.93 3m2p s PRO 127 CO -0.06 -0.89 1.00 -3.47 -0.33 0.00 0.00 177.00 173.24 3m2p n ASP 128 N -0.58 0.90 0.00 2.53 2.03 -1.26 -4.94 116.55 115.23 3m2p n ASP 128 Ca 0.08 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.53 3m2p n ASP 128 Cb 0.45 0.86 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 3m2p n ASP 128 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3m2p n LEU 129 N -1.51 0.00 0.00 -2.67 4.77 -1.26 -5.02 117.00 111.31 3m2p n LEU 129 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3m2p n LEU 129 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3m2p n LEU 129 CO 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 3m2p n TYR 131 N 0.00 0.00 0.22 -1.77 9.36 -1.26 -1.25 117.16 122.45 3m2p n TYR 131 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 3m2p n TYR 131 Cb 0.00 0.00 0.33 0.00 -0.63 0.00 0.00 39.34 39.04 3m2p n TYR 131 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3m2p h GLY 132 N 0.00 0.00 0.88 2.98 0.00 -1.96 -2.22 103.07 102.76 3m2p h GLY 132 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3m2p h GLY 132 CO 0.00 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.44 3m2p h VAL 133 N 0.00 1.26 -0.49 4.60 2.07 -1.47 -2.07 116.25 120.15 3m2p h VAL 133 Ca -0.00 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3m2p h VAL 133 Cb 0.91 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3m2p h VAL 133 CO 0.02 0.31 0.15 -1.28 0.02 0.00 0.00 177.57 176.79 3m2p h SER 134 N 0.32 0.72 -0.53 0.57 0.87 -1.74 -1.02 113.55 112.74 3m2p h SER 134 Ca 0.08 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3m2p h SER 134 Cb 0.46 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3m2p h SER 134 CO 0.02 0.74 0.28 0.11 -0.53 0.00 0.00 176.83 177.45 3m2p h LYS 135 N 0.66 0.53 -0.70 2.24 1.79 -1.41 -0.80 116.57 118.87 3m2p h LYS 135 Ca 0.16 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.69 3m2p h LYS 135 Cb 0.28 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 3m2p h LYS 135 CO -0.00 0.35 0.33 1.25 -1.08 0.00 0.00 179.45 180.29 3m2p h LEU 136 N 0.54 0.40 0.05 2.94 6.46 -0.91 -0.03 115.31 124.76 3m2p h LEU 136 Ca 0.23 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 3m2p h LEU 136 Cb 0.11 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3m2p h LEU 136 CO -0.15 0.22 -0.02 0.00 -0.62 0.00 0.00 178.44 177.87 3m2p h ALA 137 N 1.44 -0.06 0.00 1.25 0.00 -0.43 -2.33 119.26 119.12 3m2p h ALA 137 Ca 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3m2p h ALA 137 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3m2p h ALA 137 CO -0.29 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 178.41 3m2p h GLU 139 N 0.00 0.25 0.00 0.00 5.08 -0.52 -1.33 114.58 118.05 3m2p h GLU 139 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 3m2p h GLU 139 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3m2p h GLU 139 CO 0.00 0.29 -0.72 0.45 -1.00 0.00 0.00 179.01 178.04 3m2p h HIS 140 N 0.14 0.00 -0.97 4.33 3.86 -0.86 0.11 115.15 121.77 3m2p h HIS 140 Ca 0.06 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 3m2p h HIS 140 Cb 0.13 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 3m2p h HIS 140 CO -0.02 0.72 0.63 0.82 0.86 0.00 0.00 177.93 180.94 3m2p h ILE 141 N 0.00 1.16 -0.33 2.45 2.04 -0.86 -1.46 117.51 120.50 3m2p h ILE 141 Ca -0.01 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 3m2p h ILE 141 Cb 1.30 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3m2p h ILE 141 CO 0.09 0.22 -0.38 1.23 0.00 0.00 0.00 178.15 179.31 3m2p h GLY 142 N 1.21 0.93 1.44 5.37 0.00 -0.63 -2.89 103.07 108.50 3m2p h GLY 142 Ca 0.39 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3m2p h GLY 142 CO -0.13 0.88 0.11 3.43 0.00 0.00 0.00 176.54 180.84 3m2p h ASN 143 N 0.64 0.65 0.02 0.19 -0.26 -0.39 -1.56 115.58 114.88 3m2p h ASN 143 Ca 0.05 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3m2p h ASN 143 Cb 0.98 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 3m2p h ASN 143 CO 0.09 0.65 -0.01 0.40 -1.06 0.00 0.00 177.43 177.50 3m2p h ILE 144 N 0.69 1.31 -0.39 2.81 2.04 -1.28 -1.98 117.51 120.71 3m2p h ILE 144 Ca 0.16 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3m2p h ILE 144 Cb 0.26 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3m2p h ILE 144 CO -0.00 0.26 0.26 1.88 0.00 0.00 0.00 178.15 180.55 3m2p h TYR 145 N -0.47 0.37 -0.52 1.37 -1.99 -1.41 0.33 116.97 114.64 3m2p h TYR 145 Ca -0.00 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 3m2p h TYR 145 Cb 0.45 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 3m2p h TYR 145 CO 0.08 0.21 -0.05 0.77 -0.00 0.00 0.00 178.16 179.17 3m2p h SER 146 N 0.38 0.95 0.05 3.88 0.02 -1.17 -2.13 113.55 115.53 3m2p h SER 146 Ca 0.16 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 3m2p h SER 146 Cb 0.18 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3m2p h SER 146 CO -0.04 1.05 -0.67 0.03 -1.14 0.00 0.00 176.83 176.07 3m2p h ARG 147 N 0.83 0.11 -0.01 3.45 3.08 -0.51 -3.23 114.38 118.10 3m2p h ARG 147 Ca 0.14 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3m2p h ARG 147 Cb 0.60 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3m2p h ARG 147 CO 0.04 1.09 -0.55 1.63 -1.07 0.00 0.00 179.97 181.11 3m2p n LYS 148 N -4.35 0.61 0.00 0.04 5.02 0.11 -4.42 118.16 115.16 3m2p n LYS 148 Ca -0.18 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 3m2p n LYS 148 Cb 0.67 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3m2p n LYS 148 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m2p n LYS 149 N -0.80 0.29 -0.96 1.97 5.02 -0.83 -5.02 118.16 117.83 3m2p n LYS 149 Ca 0.08 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 3m2p n LYS 149 Cb 0.38 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3m2p n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m2p n GLY 150 N -0.08 0.60 3.76 0.72 0.00 -1.10 -4.95 105.19 104.14 3m2p n GLY 150 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3m2p n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m2p s LEU 151 N 0.00 2.56 -0.51 0.99 1.02 -1.03 -4.90 118.68 116.81 3m2p s LEU 151 Ca 0.00 1.49 0.08 0.00 0.02 0.00 0.00 54.13 55.71 3m2p s LEU 151 Cb 0.00 -4.05 0.30 0.00 0.02 0.00 0.00 46.19 42.46 3m2p s LEU 151 CO 0.00 -2.22 0.75 0.00 0.02 0.00 0.00 176.35 174.90 3m2p s ILE 153 N -2.76 4.76 -0.64 0.00 1.01 -1.26 -2.97 121.20 119.34 3m2p s ILE 153 Ca 0.41 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.74 3m2p s ILE 153 Cb 0.24 -4.21 0.16 0.00 0.01 0.00 0.00 42.46 38.66 3m2p s ILE 153 CO -0.08 -0.12 0.55 -0.54 0.00 0.00 0.00 174.94 174.75 3m2p s LYS 154 N 2.97 3.03 -0.13 2.79 1.02 -0.15 -2.80 119.74 126.47 3m2p s LYS 154 Ca 0.40 -2.11 -0.29 0.00 0.02 0.00 0.00 55.97 53.98 3m2p s LYS 154 Cb -0.15 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 3m2p s LYS 154 CO 0.07 -1.26 1.60 -0.80 -0.92 0.00 0.00 175.35 174.04 3m2p s ASN 155 N 2.46 6.57 -0.28 2.83 0.02 -0.54 -2.21 114.94 123.80 3m2p s ASN 155 Ca 0.11 1.93 -0.08 0.00 -1.02 0.00 0.00 52.86 53.80 3m2p s ASN 155 Cb -0.21 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.52 3m2p s ASN 155 CO -0.03 -1.05 0.09 -0.76 0.02 0.00 0.00 177.10 175.37 3m2p s LEU 156 N 4.48 3.74 -0.90 0.60 1.43 -0.31 -0.52 118.68 127.19 3m2p s LEU 156 Ca 0.71 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 3m2p s LEU 156 Cb -0.29 -1.92 0.10 0.00 0.03 0.00 0.00 46.19 44.12 3m2p s LEU 156 CO 0.28 -0.13 1.17 -0.13 0.23 0.00 0.00 176.35 177.77 3m2p s ARG 157 N 1.57 3.51 0.26 1.70 0.52 -0.27 0.89 118.95 127.12 3m2p s ARG 157 Ca 0.04 -1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 53.53 3m2p s ARG 157 Cb -0.16 -4.88 -0.09 0.00 0.52 0.00 0.00 34.95 30.33 3m2p s ARG 157 CO 0.04 -1.88 1.12 -0.06 0.02 0.00 0.00 175.30 174.53 3m2p s PHE 158 N 3.48 3.54 1.38 -0.53 0.08 -0.39 -1.64 117.98 123.90 3m2p s PHE 158 Ca 0.34 1.64 -0.21 0.00 0.12 0.00 0.00 56.93 58.82 3m2p s PHE 158 Cb -0.06 -3.32 0.35 0.00 -0.57 0.00 0.00 43.02 39.42 3m2p s PHE 158 CO -0.06 -0.70 0.95 0.00 -0.10 0.00 0.00 175.22 175.31 3m2p s ALA 159 N -0.91 -0.68 -0.19 5.36 0.00 -0.88 -0.43 121.76 124.04 3m2p s ALA 159 Ca 0.46 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3m2p s ALA 159 Cb -0.32 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3m2p s ALA 159 CO 0.40 -4.46 1.97 -1.01 0.00 0.00 0.00 175.76 172.67 3m2p s HIS 160 N -2.33 1.49 0.02 0.00 3.76 -0.95 -4.69 115.29 112.59 3m2p s HIS 160 Ca 0.69 0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 55.65 3m2p s HIS 160 Cb -0.15 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.46 3m2p s HIS 160 CO 0.59 -3.96 1.10 -0.51 -0.85 0.00 0.00 174.74 171.11 3m2p s LEU 161 N 6.65 4.35 0.15 0.89 1.43 -1.26 -1.43 118.68 129.47 3m2p s LEU 161 Ca 0.89 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 3m2p s LEU 161 Cb -0.31 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3m2p s LEU 161 CO 0.35 -0.39 -0.02 -0.72 0.23 0.00 0.00 176.35 175.80 3m2p s TYR 162 N 1.20 1.12 0.00 0.29 1.13 -0.79 -4.93 117.35 115.37 3m2p s TYR 162 Ca 0.55 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3m2p s TYR 162 Cb -0.25 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 39.97 3m2p s TYR 162 CO 0.27 -0.19 0.00 0.41 -2.51 0.00 0.00 175.55 173.53 3m2p n GLY 163 N -0.19 1.34 3.82 5.49 0.00 -1.26 -1.02 105.19 113.37 3m2p n GLY 163 Ca -0.08 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 3m2p n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m2p s PHE 164 N -0.60 3.48 -1.36 1.61 5.36 -1.26 -4.62 117.98 120.59 3m2p s PHE 164 Ca 0.00 0.43 -0.15 0.00 -0.96 0.00 0.00 56.93 56.25 3m2p s PHE 164 Cb 0.00 -1.92 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3m2p s PHE 164 CO 0.00 0.64 0.41 -1.71 -1.46 0.00 0.00 175.22 173.11 3m2p n ASN 165 N 2.12 -1.84 -4.44 6.13 4.05 -1.26 -4.91 115.26 115.11 3m2p n ASN 165 Ca -0.19 -1.21 -0.44 0.00 0.45 0.00 0.00 54.58 53.19 3m2p n ASN 165 Cb 0.54 -2.08 -0.03 0.00 1.23 0.00 0.00 39.78 39.44 3m2p n ASN 165 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 3m2p s GLU 166 N -7.11 3.27 -0.27 1.20 2.12 -1.26 -4.94 118.70 111.71 3m2p s GLU 166 Ca 0.24 -1.25 -0.29 0.00 0.36 0.00 0.00 54.97 54.03 3m2p s GLU 166 Cb -0.12 -4.47 -0.32 0.00 0.26 0.00 0.00 34.13 29.48 3m2p s GLU 166 CO 0.96 -1.75 1.71 1.17 -0.54 0.00 0.00 175.26 176.81 3m2p n LYS 167 N 7.04 0.28 -4.01 4.30 3.00 -1.26 -4.77 118.16 122.73 3m2p n LYS 167 Ca 0.05 -1.25 -0.10 0.00 -0.00 0.00 0.00 58.31 57.01 3m2p n LYS 167 Cb 0.46 -2.76 -0.08 0.00 0.00 0.00 0.00 35.03 32.65 3m2p n LYS 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3m2p s ASN 168 N 6.87 0.08 -0.04 3.14 2.20 -1.26 -5.08 114.94 120.85 3m2p s ASN 168 Ca 0.69 -0.97 0.19 0.00 -0.94 0.00 0.00 52.86 51.83 3m2p s ASN 168 Cb 0.12 0.42 0.61 0.00 -2.00 0.00 0.00 41.25 40.40 3m2p s ASN 168 CO 0.29 -0.88 1.52 0.59 -2.94 0.00 0.00 177.10 175.68 3m2p n ASN 169 N -0.21 4.04 0.00 3.54 4.13 -1.26 -4.64 115.26 120.86 3m2p n ASN 169 Ca -0.06 -2.18 0.00 0.00 1.68 0.00 0.00 54.58 54.02 3m2p n ASN 169 Cb 0.63 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 3m2p n ASN 169 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3m2p n TYR 170 N 1.20 0.00 0.00 3.10 4.01 -1.26 -4.56 117.16 119.65 3m2p n TYR 170 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 3m2p n TYR 170 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 3m2p n TYR 170 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3m2p n ILE 172 N 0.00 0.00 0.11 -0.72 3.06 -1.26 -1.31 119.36 119.23 3m2p n ILE 172 Ca 0.00 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 3m2p n ILE 172 Cb 0.00 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.03 3m2p n ILE 172 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 3m2p h ASN 173 N 0.00 0.74 0.15 9.51 2.35 -1.91 -2.42 115.58 124.00 3m2p h ASN 173 Ca 0.00 -0.91 -0.01 0.00 -0.55 0.00 0.00 56.30 54.83 3m2p h ASN 173 Cb 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.13 3m2p h ASN 173 CO 0.00 1.59 -0.07 -0.09 -1.65 0.00 0.00 177.43 177.21 3m2p h ARG 174 N 0.01 -0.20 -0.85 0.81 2.43 -1.44 -0.30 114.38 114.84 3m2p h ARG 174 Ca -0.21 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.19 3m2p h ARG 174 Cb 1.95 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 31.39 3m2p h ARG 174 CO 0.23 -0.10 0.04 0.74 -1.51 0.00 0.00 179.97 179.37 3m2p h PHE 175 N -0.24 0.00 0.63 2.20 -1.00 -1.83 0.39 116.94 117.10 3m2p h PHE 175 Ca -0.02 0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 3m2p h PHE 175 Cb 0.19 0.13 0.01 0.00 3.61 0.00 0.00 35.95 39.89 3m2p h PHE 175 CO -0.06 -0.29 -0.30 0.74 -1.61 0.00 0.00 178.31 176.79 3m2p h PHE 176 N 0.09 -0.79 -0.46 -0.55 0.04 -0.79 -1.58 116.94 112.91 3m2p h PHE 176 Ca 0.49 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.32 3m2p h PHE 176 Cb 0.92 0.26 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 3m2p h PHE 176 CO -0.43 -0.49 0.07 0.00 -0.60 0.00 0.00 178.31 176.86 3m2p h ARG 177 N -0.85 0.19 0.11 1.51 3.08 -0.58 -2.13 114.38 115.71 3m2p h ARG 177 Ca -0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3m2p h ARG 177 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3m2p h ARG 177 CO 0.14 0.12 -0.11 1.96 -1.07 0.00 0.00 179.97 181.02 3m2p h GLN 178 N 0.19 -0.21 0.00 0.04 4.20 -0.24 -2.94 115.11 116.15 3m2p h GLN 178 Ca 0.23 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3m2p h GLN 178 Cb 0.31 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3m2p h GLN 178 CO -0.32 -0.14 0.00 0.00 -0.67 0.00 0.00 178.83 177.70 3m2p n ALA 179 N -2.35 1.08 0.55 3.87 0.00 -0.60 0.01 120.51 123.08 3m2p n ALA 179 Ca -0.03 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3m2p n ALA 179 Cb 0.10 -1.24 0.32 0.00 0.00 0.00 0.00 19.45 18.62 3m2p n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3m2p n PHE 180 N -2.06 0.00 -0.00 0.00 7.35 -0.80 -4.63 117.46 117.31 3m2p n PHE 180 Ca -0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3m2p n PHE 180 Cb 0.04 -0.41 -0.01 0.00 0.35 0.00 0.00 39.48 39.45 3m2p n PHE 180 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3m2p n HIS 181 N -1.41 0.00 -2.72 -5.13 8.25 0.10 -5.09 115.22 109.22 3m2p n HIS 181 Ca 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3m2p n HIS 181 Cb 0.14 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 3m2p n HIS 181 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m2p n ALA 193 N -1.88 -3.33 -2.79 -1.41 0.00 -1.26 -5.01 120.51 104.82 3m2p n ALA 193 Ca -0.01 1.37 -0.35 0.00 0.00 0.00 0.00 53.44 54.44 3m2p n ALA 193 Cb 0.38 -2.76 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 3m2p n ALA 193 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m2p s LYS 194 N -1.02 3.87 -0.01 0.00 1.02 -1.26 -4.25 119.74 118.08 3m2p s LYS 194 Ca -0.14 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.66 3m2p s LYS 194 Cb 0.01 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3m2p s LYS 194 CO 0.69 0.45 -0.11 1.03 -0.92 0.00 0.00 175.35 176.49 3m2p s ARG 195 N -0.10 0.99 -0.10 1.68 0.52 -0.11 0.03 118.95 121.86 3m2p s ARG 195 Ca 0.09 -0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 54.65 3m2p s ARG 195 Cb -0.12 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 3m2p s ARG 195 CO 0.00 0.22 0.79 -2.00 0.02 0.00 0.00 175.30 174.33 3m2p s GLU 196 N -0.14 4.40 0.02 3.54 2.12 0.11 -0.99 118.70 127.76 3m2p s GLU 196 Ca 0.02 1.01 0.06 0.00 0.36 0.00 0.00 54.97 56.43 3m2p s GLU 196 Cb -0.06 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3m2p s GLU 196 CO -0.00 -0.11 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.39 3m2p s PHE 197 N 1.36 2.60 -0.07 5.30 0.40 -1.06 -2.24 117.98 124.28 3m2p s PHE 197 Ca 0.40 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3m2p s PHE 197 Cb -0.18 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 41.88 3m2p s PHE 197 CO 0.17 0.25 0.01 -1.17 0.70 0.00 0.00 175.22 175.18 3m2p s LEU 198 N -1.32 0.55 0.12 -0.37 2.96 -0.51 -4.50 118.68 115.61 3m2p s LEU 198 Ca 0.14 -0.07 -0.31 0.00 -0.22 0.00 0.00 54.13 53.67 3m2p s LEU 198 Cb -0.11 -0.41 -0.11 0.00 0.50 0.00 0.00 46.19 46.06 3m2p s LEU 198 CO 0.05 -0.20 1.84 0.00 -1.32 0.00 0.00 176.35 176.72 3m2p n TYR 199 N 5.16 2.63 0.03 5.38 9.36 -1.26 -1.89 117.16 136.57 3m2p n TYR 199 Ca -0.07 -0.15 0.22 0.00 3.32 0.00 0.00 57.90 61.22 3m2p n TYR 199 Cb 0.50 -2.73 0.73 0.00 -0.63 0.00 0.00 39.34 37.21 3m2p n TYR 199 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m2p h ALA 200 N 8.57 2.30 -0.22 2.98 0.00 -1.46 0.49 119.26 131.92 3m2p h ALA 200 Ca -0.46 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3m2p h ALA 200 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3m2p h ALA 200 CO 0.95 -0.75 -0.36 -0.22 0.00 0.00 0.00 179.25 178.86 3m2p h LYS 201 N 0.00 0.49 0.00 0.00 3.64 -1.89 0.20 116.57 119.02 3m2p h LYS 201 Ca 0.25 -0.23 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 3m2p h LYS 201 Cb 1.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3m2p h LYS 201 CO -0.00 0.79 -0.70 -0.44 -2.27 0.00 0.00 179.45 176.83 3m2p h ASP 202 N 0.42 0.00 -0.47 4.20 3.32 -0.47 -2.42 116.42 121.00 3m2p h ASP 202 Ca 0.04 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3m2p h ASP 202 Cb 0.83 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3m2p h ASP 202 CO 0.07 0.70 -0.06 0.00 -1.72 0.00 0.00 179.24 178.23 3m2p h ALA 203 N 1.30 0.65 -0.02 3.45 0.00 -0.63 -2.22 119.26 121.79 3m2p h ALA 203 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3m2p h ALA 203 Cb 1.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3m2p h ALA 203 CO 0.09 0.50 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 3m2p h ALA 204 N 0.90 -0.09 -0.75 0.00 0.00 -0.51 -2.54 119.26 116.27 3m2p h ALA 204 Ca 0.13 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3m2p h ALA 204 Cb 0.59 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3m2p h ALA 204 CO 0.04 -0.58 0.49 -0.22 0.00 0.00 0.00 179.25 178.98 3m2p h LYS 205 N -0.15 0.61 -0.68 0.00 3.64 -1.32 -0.81 116.57 117.85 3m2p h LYS 205 Ca 0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3m2p h LYS 205 Cb 0.21 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3m2p h LYS 205 CO -0.11 0.41 0.20 0.66 -2.27 0.00 0.00 179.45 178.33 3m2p h SER 206 N 0.63 1.01 -0.65 4.20 4.64 -1.01 -1.98 113.55 120.40 3m2p h SER 206 Ca 0.35 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.46 3m2p h SER 206 Cb 0.51 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3m2p h SER 206 CO -0.13 0.96 0.43 0.58 -0.87 0.00 0.00 176.83 177.81 3m2p h VAL 207 N 1.01 1.17 -0.44 0.95 2.07 -0.78 0.20 116.25 120.43 3m2p h VAL 207 Ca 0.22 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3m2p h VAL 207 Cb 0.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3m2p h VAL 207 CO -0.00 0.16 0.14 0.40 0.02 0.00 0.00 177.57 178.29 3m2p h ILE 208 N 0.89 1.18 0.12 4.57 1.08 -1.19 -0.01 117.51 124.15 3m2p h ILE 208 Ca 0.24 -0.61 -0.27 0.00 -0.39 0.00 0.00 64.86 63.83 3m2p h ILE 208 Cb -0.10 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 3m2p h ILE 208 CO -0.05 0.23 -1.23 1.88 -0.69 0.00 0.00 178.15 178.29 3m2p h TYR 209 N 0.63 0.47 -0.39 1.37 -1.99 -0.74 -3.10 116.97 113.22 3m2p h TYR 209 Ca 0.15 -0.34 -0.06 0.00 2.00 0.00 0.00 58.73 60.47 3m2p h TYR 209 Cb 0.18 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 3m2p h TYR 209 CO 0.01 1.27 -0.03 0.00 -0.00 0.00 0.00 178.16 179.41 3m2p h ALA 210 N 0.60 1.23 0.00 3.88 0.00 -0.45 -2.98 119.26 121.53 3m2p h ALA 210 Ca -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3m2p h ALA 210 Cb 1.96 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3m2p h ALA 210 CO 0.20 0.51 -0.05 1.25 0.00 0.00 0.00 179.25 181.16 3m2p h LEU 211 N 0.60 0.00 -0.26 0.00 5.85 -0.95 -1.90 115.31 118.64 3m2p h LEU 211 Ca 0.12 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3m2p h LEU 211 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3m2p h LEU 211 CO 0.02 0.05 -0.48 0.11 -0.34 0.00 0.00 178.44 177.80 3m2p h LYS 212 N 0.00 0.00 -2.60 1.25 1.57 -1.45 -3.34 116.57 111.99 3m2p h LYS 212 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 3m2p h LYS 212 Cb 0.51 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3m2p h LYS 212 CO 0.01 0.48 2.37 1.04 -0.57 0.00 0.00 179.45 182.78 3m2p n GLN 213 N -3.30 3.94 -0.15 3.15 1.13 -0.72 -4.75 117.38 116.69 3m2p n GLN 213 Ca 0.01 -2.85 0.06 0.00 -1.94 0.00 0.00 57.00 52.29 3m2p n GLN 213 Cb 0.68 -2.58 0.37 0.00 0.11 0.00 0.00 30.24 28.83 3m2p n GLN 213 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 3m2p h GLU 214 N 4.41 0.68 0.00 -1.09 4.11 -1.77 -0.47 114.58 120.45 3m2p h GLU 214 Ca 0.68 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 60.07 3m2p h GLU 214 Cb 0.42 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3m2p h GLU 214 CO 1.41 0.45 0.00 0.87 0.07 0.00 0.00 179.01 181.81 3m2p h LYS 215 N 0.70 0.00 -6.85 1.06 6.56 -1.93 -3.40 116.57 112.71 3m2p h LYS 215 Ca 0.28 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.40 3m2p h LYS 215 Cb 0.23 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3m2p h LYS 215 CO -0.09 0.00 0.23 0.08 -2.06 0.00 0.00 179.45 177.61 3m2p s VAL 216 N -3.33 4.48 -0.15 0.50 1.01 -0.19 -4.90 120.40 117.83 3m2p s VAL 216 Ca 0.06 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 3m2p s VAL 216 Cb 0.07 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3m2p s VAL 216 CO 0.62 -0.13 0.39 -0.94 0.00 0.00 0.00 175.10 175.04 3m2p s SER 217 N -2.04 -0.41 0.00 3.32 1.04 -1.26 -4.46 113.70 109.89 3m2p s SER 217 Ca 0.55 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.77 3m2p s SER 217 Cb -0.12 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3m2p s SER 217 CO 0.17 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3m2p n GLY 218 N 2.88 -0.56 3.40 7.32 0.00 -1.12 -4.97 105.19 112.14 3m2p n GLY 218 Ca -0.13 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 3m2p n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m2p s THR 219 N -3.00 2.53 -0.07 2.61 2.01 -1.26 -1.46 115.64 117.00 3m2p s THR 219 Ca 0.00 -1.16 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 3m2p s THR 219 Cb 0.00 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.55 3m2p s THR 219 CO 0.00 0.42 0.12 -0.36 -0.69 0.00 0.00 174.62 174.11 3m2p s PHE 220 N -0.81 -0.08 0.00 4.92 0.40 0.32 -4.97 117.98 117.77 3m2p s PHE 220 Ca 0.13 0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 56.61 3m2p s PHE 220 Cb -0.10 -0.36 -0.06 0.00 0.51 0.00 0.00 43.02 43.01 3m2p s PHE 220 CO 0.03 -0.24 1.53 -0.80 0.70 0.00 0.00 175.22 176.44 3m2p s ASN 221 N 2.24 6.74 -0.64 1.36 0.02 -1.26 -1.12 114.94 122.28 3m2p s ASN 221 Ca 0.04 2.24 0.05 0.00 -1.02 0.00 0.00 52.86 54.17 3m2p s ASN 221 Cb -0.12 -2.55 0.16 0.00 0.02 0.00 0.00 41.25 38.76 3m2p s ASN 221 CO -0.05 -0.82 0.43 -0.63 0.02 0.00 0.00 177.10 176.06 3m2p s ILE 222 N 2.86 2.55 0.00 0.60 -1.09 -0.65 -4.39 121.20 121.08 3m2p s ILE 222 Ca 0.69 -3.90 0.00 0.00 -2.23 0.00 0.00 60.65 55.21 3m2p s ILE 222 Cb -0.34 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3m2p s ILE 222 CO 0.28 -0.99 0.00 0.61 -1.23 0.00 0.00 174.94 173.62 3m2p n GLY 223 N 2.31 4.08 0.00 6.18 0.00 -1.26 -2.08 105.19 114.42 3m2p n GLY 223 Ca 0.18 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3m2p n GLY 223 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m2p n SER 224 N -0.56 0.55 -0.00 1.61 3.41 -1.26 -4.81 113.62 112.56 3m2p n SER 224 Ca 0.00 -0.33 -0.00 0.00 -0.26 0.00 0.00 58.87 58.28 3m2p n SER 224 Cb 0.00 0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 64.72 3m2p n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m2p n GLY 225 N 0.93 0.49 3.19 5.00 0.00 -1.26 -4.88 105.19 108.65 3m2p n GLY 225 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3m2p n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m2p n ASP 226 N 0.24 4.88 -4.52 1.61 8.00 -1.26 -5.03 116.55 120.47 3m2p n ASP 226 Ca -0.00 -3.12 -0.43 0.00 0.71 0.00 0.00 54.79 51.95 3m2p n ASP 226 Cb 0.00 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 39.85 3m2p n ASP 226 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m2p s ALA 227 N -1.45 3.27 0.20 2.24 0.00 -1.26 -2.55 121.76 122.20 3m2p s ALA 227 Ca 0.30 -1.22 0.10 0.00 0.00 0.00 0.00 51.96 51.13 3m2p s ALA 227 Cb -0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3m2p s ALA 227 CO -0.09 -2.06 -0.13 -0.51 0.00 0.00 0.00 175.76 172.96 3m2p s LEU 228 N 3.33 2.82 0.15 0.00 1.43 -0.16 -4.68 118.68 121.57 3m2p s LEU 228 Ca 0.27 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3m2p s LEU 228 Cb -0.14 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3m2p s LEU 228 CO 0.19 0.10 0.37 0.42 0.23 0.00 0.00 176.35 177.66 3m2p s THR 229 N -1.80 5.19 0.40 5.49 -4.23 -1.26 -0.94 115.64 118.50 3m2p s THR 229 Ca 0.25 -0.09 0.20 0.00 -1.18 0.00 0.00 61.69 60.87 3m2p s THR 229 Cb -0.08 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.51 3m2p s THR 229 CO 0.14 -0.01 1.75 0.78 -0.54 0.00 0.00 174.62 176.73 3m2p h ASN 230 N 2.62 0.42 0.29 3.99 -0.26 -1.98 0.50 115.58 121.16 3m2p h ASN 230 Ca -0.46 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.36 3m2p h ASN 230 Cb 1.17 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 3m2p h ASN 230 CO 0.72 0.04 -0.27 0.22 -1.06 0.00 0.00 177.43 177.08 3m2p h TYR 231 N 0.34 -0.74 -0.99 1.19 5.03 -1.95 0.28 116.97 120.13 3m2p h TYR 231 Ca 0.63 0.00 0.21 0.00 2.58 0.00 0.00 58.73 62.15 3m2p h TYR 231 Cb 1.67 0.28 -0.11 0.00 1.55 0.00 0.00 36.73 40.12 3m2p h TYR 231 CO -0.00 -0.36 0.59 0.93 -1.32 0.00 0.00 178.16 178.00 3m2p h GLU 232 N -0.55 0.67 0.47 1.82 5.08 -1.37 0.25 114.58 120.95 3m2p h GLU 232 Ca -0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3m2p h GLU 232 Cb 0.47 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3m2p h GLU 232 CO -0.02 0.45 -0.28 0.28 -1.00 0.00 0.00 179.01 178.43 3m2p h VAL 233 N 0.69 0.42 0.06 3.13 2.07 -0.63 0.87 116.25 122.87 3m2p h VAL 233 Ca 0.59 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.13 3m2p h VAL 233 Cb 0.99 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3m2p h VAL 233 CO -0.41 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 176.67 3m2p h ALA 234 N -0.22 -0.96 -0.14 1.67 0.00 0.21 -0.93 119.26 118.89 3m2p h ALA 234 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3m2p h ALA 234 Cb 0.58 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3m2p h ALA 234 CO 0.06 -1.09 -0.22 -0.97 0.00 0.00 0.00 179.25 177.03 3m2p h ASN 235 N -0.68 -0.73 -0.86 0.00 -0.73 -0.57 -1.47 115.58 110.54 3m2p h ASN 235 Ca 0.00 0.09 0.21 0.00 1.87 0.00 0.00 56.30 58.48 3m2p h ASN 235 Cb 0.70 0.30 -0.15 0.00 0.27 0.00 0.00 38.32 39.44 3m2p h ASN 235 CO -0.30 -0.17 0.03 0.74 -0.37 0.00 0.00 177.43 177.36 3m2p h THR 236 N -0.17 0.21 -0.16 -3.57 2.02 -0.69 -0.64 112.91 109.90 3m2p h THR 236 Ca 0.03 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3m2p h THR 236 Cb 0.24 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3m2p h THR 236 CO -0.22 0.01 0.08 0.40 0.37 0.00 0.00 175.52 176.16 3m2p h ILE 237 N 0.08 1.12 -0.38 3.11 2.04 -0.61 -3.13 117.51 119.74 3m2p h ILE 237 Ca 0.50 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 66.10 3m2p h ILE 237 Cb 0.95 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 3m2p h ILE 237 CO -0.77 0.11 -0.23 0.78 0.00 0.00 0.00 178.15 178.04 3m2p h ASN 238 N 0.14 -0.76 -0.84 1.72 -0.26 -0.08 -0.18 115.58 115.31 3m2p h ASN 238 Ca 0.06 0.16 0.07 0.00 -0.56 0.00 0.00 56.30 56.03 3m2p h ASN 238 Cb 0.11 0.39 -0.07 0.00 -1.06 0.00 0.00 38.32 37.70 3m2p h ASN 238 CO -0.01 -0.26 0.51 0.78 -1.06 0.00 0.00 177.43 177.40 3m2p h ASN 239 N -0.17 0.78 1.17 5.81 4.21 -1.48 1.62 115.58 127.52 3m2p h ASN 239 Ca 0.19 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3m2p h ASN 239 Cb 0.46 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3m2p h ASN 239 CO -0.48 0.48 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 3m2p n ALA 240 N -2.36 2.23 -0.01 -0.83 0.00 -0.78 -3.80 120.51 114.97 3m2p n ALA 240 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.55 3m2p n ALA 240 Cb 0.21 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 3m2p n ALA 240 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3m2p n PHE 241 N -1.88 0.00 0.00 0.00 3.01 -0.15 -4.93 117.46 113.51 3m2p n PHE 241 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3m2p n PHE 241 Cb 0.36 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3m2p n PHE 241 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m2p n GLY 242 N 2.05 1.47 0.04 1.37 0.00 0.54 -4.81 105.19 105.85 3m2p n GLY 242 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3m2p n GLY 242 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m2p n ILE 258 N 0.00 0.68 -4.79 -0.61 -5.35 -1.26 -4.71 119.36 103.32 3m2p n ILE 258 Ca 0.00 -0.71 -0.26 0.00 -0.27 0.00 0.00 62.75 61.50 3m2p n ILE 258 Cb 0.00 0.60 -0.15 0.00 -1.74 0.00 0.00 39.64 38.35 3m2p n ILE 258 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3m2p s HIS 259 N -0.78 1.84 0.18 4.28 3.76 -1.26 -4.93 115.29 118.37 3m2p s HIS 259 Ca 0.03 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.28 3m2p s HIS 259 Cb 0.03 -1.13 -0.08 0.00 1.11 0.00 0.00 32.58 32.51 3m2p s HIS 259 CO 0.00 0.05 1.15 -1.12 -0.85 0.00 0.00 174.74 173.97 3m2p s SER 260 N -0.91 7.16 -0.20 1.40 0.01 -1.26 -4.76 113.70 115.14 3m2p s SER 260 Ca 0.08 2.16 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 3m2p s SER 260 Cb -0.08 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.62 3m2p s SER 260 CO 0.01 -0.31 0.15 -0.94 0.41 0.00 0.00 173.24 172.56 3m2p s SER 261 N 0.06 2.05 0.15 2.44 1.04 0.10 -4.83 113.70 114.72 3m2p s SER 261 Ca 0.51 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3m2p s SER 261 Cb -0.31 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3m2p s SER 261 CO 0.36 -0.35 0.21 0.00 0.98 0.00 0.00 173.24 174.44 3m2p n TYR 262 N 5.29 -0.87 -3.91 5.02 4.11 -1.26 0.05 117.16 125.59 3m2p n TYR 262 Ca -0.06 -1.04 -0.35 0.00 -0.00 0.00 0.00 57.90 56.45 3m2p n TYR 262 Cb 0.48 0.24 -0.14 0.00 -0.00 0.00 0.00 39.34 39.93 3m2p n TYR 262 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3m2p s ASP 264 N -1.96 4.70 -0.54 9.48 -1.08 0.15 -2.50 116.67 124.93 3m2p s ASP 264 Ca 0.13 -1.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.12 3m2p s ASP 264 Cb -0.00 -1.71 0.49 0.00 -1.46 0.00 0.00 42.92 40.24 3m2p s ASP 264 CO 0.09 -0.20 1.83 -1.20 0.52 0.00 0.00 175.17 176.21 3m2p n SER 265 N 4.67 6.13 -0.07 -0.34 7.64 -1.26 -4.60 113.62 125.79 3m2p n SER 265 Ca -0.15 -3.75 -0.12 0.00 1.01 0.00 0.00 58.87 55.86 3m2p n SER 265 Cb 0.45 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 3m2p n SER 265 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3m2p h SER 266 N 1.77 0.38 0.09 6.43 0.02 -1.96 -2.57 113.55 117.71 3m2p h SER 266 Ca 0.54 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3m2p h SER 266 Cb 1.36 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 3m2p h SER 266 CO 1.27 0.63 -0.37 0.50 -1.14 0.00 0.00 176.83 177.72 3m2p h LYS 267 N 0.12 -0.56 -0.97 3.45 3.64 -1.89 -0.59 116.57 119.77 3m2p h LYS 267 Ca 0.06 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3m2p h LYS 267 Cb 0.45 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 3m2p h LYS 267 CO 0.02 -0.38 0.60 0.00 -2.27 0.00 0.00 179.45 177.42 3m2p h ALA 268 N -0.01 1.44 -0.04 5.00 0.00 -1.76 0.36 119.26 124.26 3m2p h ALA 268 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m2p h ALA 268 Cb 0.63 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3m2p h ALA 268 CO -0.24 0.20 -0.32 -0.22 0.00 0.00 0.00 179.25 178.67 3m2p h LYS 269 N 0.95 -0.44 0.08 0.00 1.63 -0.79 -1.63 116.57 116.38 3m2p h LYS 269 Ca 0.48 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.30 3m2p h LYS 269 Cb 0.46 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3m2p h LYS 269 CO -0.26 -0.29 -0.04 1.49 -3.45 0.00 0.00 179.45 176.90 3m2p h GLU 270 N -0.45 -0.10 -0.07 1.90 4.81 -0.17 -2.26 114.58 118.24 3m2p h GLU 270 Ca 0.07 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3m2p h GLU 270 Cb 0.56 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3m2p h GLU 270 CO -0.29 -0.07 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.65 3m2p h LEU 271 N -0.35 0.11 0.00 1.64 4.07 -0.44 -3.09 115.31 117.25 3m2p h LEU 271 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3m2p h LEU 271 Cb 0.08 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3m2p h LEU 271 CO 0.02 0.33 -0.91 0.18 -1.08 0.00 0.00 178.44 176.98 3m2p n LEU 272 N -4.25 0.42 -1.79 1.67 4.32 -0.76 -5.00 117.00 111.62 3m2p n LEU 272 Ca -0.02 -0.35 -0.14 0.00 -0.02 0.00 0.00 56.01 55.49 3m2p n LEU 272 Cb 0.30 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.11 3m2p n LEU 272 CO 0.38 0.10 -0.07 -0.67 -1.22 0.00 0.00 177.39 175.91 3m2p n ASP 273 N -1.50 -4.33 -4.77 -1.43 4.64 -0.69 -4.69 116.55 103.78 3m2p n ASP 273 Ca 0.01 -0.11 -0.36 0.00 -1.38 0.00 0.00 54.79 52.95 3m2p n ASP 273 Cb 0.24 -3.34 -0.08 0.00 -1.04 0.00 0.00 41.12 36.91 3m2p n ASP 273 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3m2p s PHE 274 N -2.82 3.43 -0.04 -0.67 5.36 -0.72 -4.97 117.98 117.54 3m2p s PHE 274 Ca 0.11 0.35 -0.21 0.00 -0.96 0.00 0.00 56.93 56.22 3m2p s PHE 274 Cb -0.05 -1.98 0.04 0.00 -0.34 0.00 0.00 43.02 40.69 3m2p s PHE 274 CO 0.13 0.50 0.45 -1.54 -1.46 0.00 0.00 175.22 173.31 3m2p s SER 275 N -0.48 -0.38 0.21 6.13 1.04 -1.26 -3.63 113.70 115.33 3m2p s SER 275 Ca 0.11 0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.62 3m2p s SER 275 Cb -0.12 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.37 3m2p s SER 275 CO 0.02 -0.48 1.05 0.42 0.98 0.00 0.00 173.24 175.23 3m2p s THR 276 N -1.16 3.88 0.02 2.02 -4.23 -1.26 -4.97 115.64 109.95 3m2p s THR 276 Ca -0.12 1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 61.93 3m2p s THR 276 Cb -0.03 -4.10 -0.18 0.00 1.34 0.00 0.00 72.50 69.52 3m2p s THR 276 CO 0.06 0.35 1.23 0.44 -0.54 0.00 0.00 174.62 176.15 3m2p h ASP 277 N 4.65 0.47 -2.35 3.99 3.32 -1.97 -3.47 116.42 121.06 3m2p h ASP 277 Ca -0.45 -0.62 -0.46 0.00 0.02 0.00 0.00 57.03 55.53 3m2p h ASP 277 Cb 1.21 -0.14 0.07 0.00 0.22 0.00 0.00 39.33 40.69 3m2p h ASP 277 CO 0.70 1.01 0.06 -0.31 -1.72 0.00 0.00 179.24 178.98 3m2p s TYR 278 N -3.76 2.09 0.16 4.55 1.51 -1.26 -5.11 117.35 115.52 3m2p s TYR 278 Ca -0.14 -0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3m2p s TYR 278 Cb 0.05 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 3m2p s TYR 278 CO 0.79 -1.40 0.07 0.54 -1.11 0.00 0.00 175.55 174.44 3m2p s ASN 279 N -4.62 0.36 0.16 2.29 2.20 -1.26 -5.01 114.94 109.07 3m2p s ASN 279 Ca 0.63 -1.26 -0.22 0.00 -0.94 0.00 0.00 52.86 51.07 3m2p s ASN 279 Cb -0.07 0.30 0.06 0.00 -2.00 0.00 0.00 41.25 39.54 3m2p s ASN 279 CO 0.42 -0.75 1.61 0.15 -2.94 0.00 0.00 177.10 175.60 3m2p h PHE 280 N 2.77 -0.77 -0.07 1.54 3.04 -1.96 -0.21 116.94 121.28 3m2p h PHE 280 Ca -0.36 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.67 3m2p h PHE 280 Cb 1.21 0.39 -0.03 0.00 2.56 0.00 0.00 35.95 40.09 3m2p h PHE 280 CO 0.42 -0.35 -0.08 0.00 -2.02 0.00 0.00 178.31 176.27 3m2p h ALA 281 N 0.84 -0.02 -0.71 2.41 0.00 -1.98 0.13 119.26 119.93 3m2p h ALA 281 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3m2p h ALA 281 Cb 0.51 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3m2p h ALA 281 CO -0.50 -0.55 0.47 1.15 0.00 0.00 0.00 179.25 179.82 3m2p h THR 282 N -0.11 1.05 0.17 0.00 2.02 -1.53 0.70 112.91 115.21 3m2p h THR 282 Ca 0.06 -0.27 -0.25 0.00 0.77 0.00 0.00 66.41 66.73 3m2p h THR 282 Cb 0.19 0.20 0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3m2p h THR 282 CO -0.14 0.14 -1.06 0.00 0.37 0.00 0.00 175.52 174.83 3m2p h ALA 283 N 1.61 -0.10 -0.88 6.16 0.00 -0.82 -2.92 119.26 122.30 3m2p h ALA 283 Ca 0.30 -0.75 0.15 0.00 0.00 0.00 0.00 54.91 54.60 3m2p h ALA 283 Cb 0.19 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3m2p h ALA 283 CO -0.09 0.51 0.57 0.28 0.00 0.00 0.00 179.25 180.51 3m2p h VAL 284 N -0.13 0.82 0.00 0.00 2.07 -0.49 0.16 116.25 118.69 3m2p h VAL 284 Ca -0.18 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3m2p h VAL 284 Cb 1.83 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3m2p h VAL 284 CO 0.20 0.12 -0.25 -0.33 0.02 0.00 0.00 177.57 177.33 3m2p h GLU 285 N 0.66 0.00 0.12 1.57 5.08 -0.81 -1.01 114.58 120.18 3m2p h GLU 285 Ca 0.44 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.50 3m2p h GLU 285 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3m2p h GLU 285 CO -0.20 0.25 -1.51 1.49 -1.00 0.00 0.00 179.01 178.05 3m2p h GLU 286 N 0.00 0.24 -0.48 2.33 4.81 -0.83 -3.18 114.58 117.47 3m2p h GLU 286 Ca -0.00 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3m2p h GLU 286 Cb 0.71 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3m2p h GLU 286 CO 0.03 1.11 -0.00 0.82 -0.73 0.00 0.00 179.01 180.24 3m2p h ILE 287 N 0.07 1.26 0.06 2.32 2.04 -0.53 -2.27 117.51 120.46 3m2p h ILE 287 Ca -0.23 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3m2p h ILE 287 Cb 2.01 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 39.05 3m2p h ILE 287 CO 0.16 0.37 -0.26 -0.74 0.00 0.00 0.00 178.15 177.69 3m2p h HIS 288 N 0.71 -0.69 -0.70 1.37 2.76 -1.28 -2.64 115.15 114.68 3m2p h HIS 288 Ca 0.14 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.44 3m2p h HIS 288 Cb 0.51 0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.69 3m2p h HIS 288 CO 0.04 -0.35 0.31 1.25 -1.30 0.00 0.00 177.93 177.88 3m2p h LEU 289 N -0.43 0.35 -4.02 0.26 7.12 -1.52 -3.29 115.31 113.79 3m2p h LEU 289 Ca 0.05 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 3m2p h LEU 289 Cb 0.48 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 3m2p h LEU 289 CO -0.19 0.18 0.06 0.18 -0.13 0.00 0.00 178.44 178.54 3m2p n LEU 290 N -4.94 2.15 -2.16 2.25 4.77 -0.86 -4.83 117.00 113.38 3m2p n LEU 290 Ca 0.12 -1.24 -0.06 0.00 -0.03 0.00 0.00 56.01 54.80 3m2p n LEU 290 Cb 0.32 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 3m2p n LEU 290 CO 0.22 0.40 -0.25 0.54 -1.33 0.00 0.00 177.39 176.97 3m2p n ARG 292 N 2.22 -0.40 0.00 3.23 1.74 -1.24 -5.09 116.66 117.12 3m2p n ARG 292 Ca 0.07 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3m2p n ARG 292 Cb 0.28 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 3m2p n ARG 292 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52