#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myr s ILE 4 N 0.00 5.07 -0.09 6.31 1.01 -1.26 -5.07 121.20 127.17 1myr s ILE 4 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 60.65 62.03 1myr s ILE 4 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1myr s ILE 4 CO 0.00 0.26 -0.21 -0.89 0.00 0.00 0.00 174.94 174.10 1myr s THR 5 N 0.79 1.86 0.04 2.92 2.01 -1.26 -5.05 115.64 116.95 1myr s THR 5 Ca 0.35 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1myr s THR 5 Cb -0.17 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1myr s THR 5 CO 0.16 0.52 -0.20 0.00 -0.69 0.00 0.00 174.62 174.41 1myr s GLN 7 N -1.18 4.49 -0.01 0.00 -0.21 -1.26 -4.97 119.66 116.51 1myr s GLN 7 Ca 0.07 1.19 0.13 0.00 0.02 0.00 0.00 55.36 56.77 1myr s GLN 7 Cb -0.09 -2.83 -0.19 0.00 1.00 0.00 0.00 33.01 30.91 1myr s GLN 7 CO 0.02 0.32 0.33 0.39 -2.12 0.00 0.00 175.29 174.23 1myr n GLU 8 N 0.62 0.89 -4.24 2.91 1.02 -1.26 -4.82 120.64 115.76 1myr n GLU 8 Ca 0.01 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 56.86 1myr n GLU 8 Cb 0.50 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.54 1myr n GLU 8 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1myr s ASN 9 N -3.22 1.75 0.60 1.62 0.01 -1.26 -4.66 114.94 109.79 1myr s ASN 9 Ca -0.03 -0.58 -0.19 0.00 -0.71 0.00 0.00 52.86 51.35 1myr s ASN 9 Cb 0.08 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.64 1myr s ASN 9 CO 0.53 -0.03 1.23 0.59 -1.51 0.00 0.00 177.10 177.91 1myr n ASN 10 N 1.44 1.92 -4.85 -1.22 5.03 -1.26 -4.19 115.26 112.13 1myr n ASN 10 Ca -0.20 0.87 -0.32 0.00 0.87 0.00 0.00 54.58 55.80 1myr n ASN 10 Cb 0.54 -1.52 -0.06 0.00 -1.02 0.00 0.00 39.78 37.72 1myr n ASN 10 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1myr s PRO 11 N -3.05 3.98 0.29 3.52 0.04 -1.26 -5.16 135.00 133.36 1myr s PRO 11 Ca 0.78 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1myr s PRO 11 Cb -0.40 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1myr s PRO 11 CO 0.45 0.15 0.50 -0.06 0.04 0.00 0.00 177.00 178.08 1myr s PHE 12 N -2.00 3.49 -0.03 0.56 0.08 -1.26 -5.01 117.98 113.81 1myr s PHE 12 Ca 0.54 0.41 0.04 0.00 0.12 0.00 0.00 56.93 58.03 1myr s PHE 12 Cb -0.10 -1.92 0.06 0.00 -0.57 0.00 0.00 43.02 40.48 1myr s PHE 12 CO 0.18 0.22 0.89 0.25 -0.10 0.00 0.00 175.22 176.66 1myr n THR 13 N -1.23 0.72 1.86 0.64 -2.24 -1.26 -4.77 114.28 108.00 1myr n THR 13 Ca -0.04 -0.80 0.13 0.00 -2.27 0.00 0.00 64.05 61.07 1myr n THR 13 Cb 0.55 0.49 0.69 0.00 -2.10 0.00 0.00 70.33 69.96 1myr n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1myr n GLY 15 N 0.95 -1.15 3.54 0.00 0.00 -1.26 -4.64 105.19 102.63 1myr n GLY 15 Ca 0.19 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1myr n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1myr s ASN 16 N -2.61 6.40 0.00 1.61 3.84 -1.17 -4.92 114.94 118.09 1myr s ASN 16 Ca 0.23 -0.13 0.18 0.00 0.21 0.00 0.00 52.86 53.34 1myr s ASN 16 Cb 0.17 -2.37 0.87 0.00 -0.55 0.00 0.00 41.25 39.37 1myr s ASN 16 CO 0.40 -0.86 1.53 0.35 -2.79 0.00 0.00 177.10 175.73 1myr n THR 17 N 6.02 0.53 -0.15 -5.21 -2.24 -1.26 -1.19 114.28 110.79 1myr n THR 17 Ca 0.01 0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1myr n THR 17 Cb 0.48 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1myr n THR 17 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1myr h ASP 18 N 0.00 0.69 0.45 3.42 3.32 -1.96 -3.34 116.42 119.00 1myr h ASP 18 Ca 0.00 -0.25 -0.31 0.00 0.02 0.00 0.00 57.03 56.50 1myr h ASP 18 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1myr h ASP 18 CO 0.00 0.76 -1.56 1.23 -1.72 0.00 0.00 179.24 177.96 1myr h GLY 19 N 0.59 0.26 -6.85 2.75 0.00 -1.53 -3.47 103.07 94.82 1myr h GLY 19 Ca 0.14 -0.66 -0.33 0.00 0.00 0.00 0.00 47.33 46.47 1myr h GLY 19 CO 0.01 0.58 -0.73 -2.27 0.00 0.00 0.00 176.54 174.13 1myr s LEU 20 N -6.92 0.65 0.00 3.11 2.96 -0.78 -5.05 118.68 112.66 1myr s LEU 20 Ca -0.09 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.78 1myr s LEU 20 Cb 0.07 -0.08 0.04 0.00 0.50 0.00 0.00 46.19 46.72 1myr s LEU 20 CO 0.85 -0.18 0.64 -0.46 -1.32 0.00 0.00 176.35 175.87 1myr n ASN 21 N 4.68 -1.84 0.30 3.68 0.23 -1.26 -4.09 115.26 116.96 1myr n ASN 21 Ca -0.17 -2.44 0.16 0.00 -0.53 0.00 0.00 54.58 51.60 1myr n ASN 21 Cb 0.50 3.11 0.94 0.00 -2.08 0.00 0.00 39.78 42.25 1myr n ASN 21 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1myr h SER 22 N 1.72 0.00 0.38 0.53 4.64 -0.98 -1.92 113.55 117.92 1myr h SER 22 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1myr h SER 22 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1myr h SER 22 CO 0.36 0.03 -0.17 0.28 -0.87 0.00 0.00 176.83 176.46 1myr h SER 23 N 0.00 0.00 0.08 4.97 0.02 -1.88 -1.07 113.55 115.66 1myr h SER 23 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1myr h SER 23 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1myr h SER 23 CO 0.00 0.17 -0.01 0.28 -1.14 0.00 0.00 176.83 176.13 1myr h SER 24 N 0.00 0.00 -1.52 3.07 0.02 -1.75 -3.44 113.55 109.93 1myr h SER 24 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1myr h SER 24 Cb 0.41 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.97 1myr h SER 24 CO 0.02 0.01 -0.24 -0.36 -1.14 0.00 0.00 176.83 175.13 1myr s PHE 25 N -4.35 2.78 0.95 3.45 0.40 -0.41 -5.04 117.98 115.76 1myr s PHE 25 Ca -0.05 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 1myr s PHE 25 Cb 0.14 -2.41 0.16 0.00 0.51 0.00 0.00 43.02 41.42 1myr s PHE 25 CO 0.49 -0.48 1.12 -1.21 0.70 0.00 0.00 175.22 175.85 1myr s GLU 26 N -4.39 0.78 0.32 0.44 0.41 -1.26 -4.89 118.70 110.10 1myr s GLU 26 Ca 0.55 1.41 0.01 0.00 -0.41 0.00 0.00 54.97 56.54 1myr s GLU 26 Cb -0.10 -1.71 0.53 0.00 -1.78 0.00 0.00 34.13 31.07 1myr s GLU 26 CO 0.34 -2.75 1.90 0.00 -0.49 0.00 0.00 175.26 174.25 1myr h ALA 27 N -1.95 1.36 -0.02 5.21 0.00 -1.94 -1.68 119.26 120.25 1myr h ALA 27 Ca -0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1myr h ALA 27 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1myr h ALA 27 CO 0.43 0.48 -0.02 -0.40 0.00 0.00 0.00 179.25 179.74 1myr n ASP 28 N -4.33 1.56 -4.73 0.00 5.75 -1.26 -4.94 116.55 108.60 1myr n ASP 28 Ca 0.04 -1.48 -0.42 0.00 -0.01 0.00 0.00 54.79 52.92 1myr n ASP 28 Cb 0.17 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1myr n ASP 28 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1myr s PHE 29 N -2.05 2.91 -0.06 2.11 2.19 -0.63 -4.94 117.98 117.52 1myr s PHE 29 Ca 0.36 0.59 -0.18 0.00 0.33 0.00 0.00 56.93 58.02 1myr s PHE 29 Cb 0.21 -4.04 -0.05 0.00 -1.31 0.00 0.00 43.02 37.83 1myr s PHE 29 CO 0.35 -3.77 0.51 0.42 1.83 0.00 0.00 175.22 174.56 1myr s ILE 30 N 0.76 5.06 -0.06 3.12 1.01 -0.71 -4.97 121.20 125.40 1myr s ILE 30 Ca 0.69 1.04 0.05 0.00 0.00 0.00 0.00 60.65 62.43 1myr s ILE 30 Cb -0.47 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 1myr s ILE 30 CO 0.37 0.40 -0.21 -0.36 0.00 0.00 0.00 174.94 175.15 1myr s PHE 31 N 0.02 2.10 0.00 3.97 0.08 -1.26 -0.45 117.98 122.45 1myr s PHE 31 Ca 0.27 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1myr s PHE 31 Cb -0.17 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1myr s PHE 31 CO 0.13 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.41 1myr n GLY 32 N 3.23 2.20 3.25 4.36 0.00 -0.15 -0.41 105.19 117.66 1myr n GLY 32 Ca -0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1myr n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1myr s VAL 33 N -1.61 0.10 0.15 1.61 -7.23 -1.19 -1.16 120.40 111.07 1myr s VAL 33 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1myr s VAL 33 Cb 0.00 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1myr s VAL 33 CO 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.78 1myr s ALA 34 N -3.90 1.25 0.35 1.32 0.00 -0.03 -1.18 121.76 119.56 1myr s ALA 34 Ca 0.39 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 1myr s ALA 34 Cb 0.06 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1myr s ALA 34 CO 0.16 -0.31 0.70 -1.54 0.00 0.00 0.00 175.76 174.77 1myr s SER 35 N -3.14 0.13 0.05 0.00 1.04 0.29 -1.76 113.70 110.31 1myr s SER 35 Ca 0.21 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 1myr s SER 35 Cb 0.06 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 1myr s SER 35 CO 0.02 -1.53 -0.03 -0.94 0.98 0.00 0.00 173.24 171.74 1myr s SER 36 N -3.07 0.45 0.08 7.02 1.04 -1.26 -3.88 113.70 114.08 1myr s SER 36 Ca 0.18 -0.93 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 1myr s SER 36 Cb -0.04 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1myr s SER 36 CO 0.12 -0.57 1.53 0.00 0.98 0.00 0.00 173.24 175.30 1myr h ALA 37 N 3.32 0.30 -0.56 5.32 0.00 -1.91 -2.42 119.26 123.31 1myr h ALA 37 Ca -0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1myr h ALA 37 Cb 1.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1myr h ALA 37 CO 0.63 0.01 0.21 -0.92 0.00 0.00 0.00 179.25 179.17 1myr h TYR 38 N 0.17 0.82 0.00 0.00 3.20 -1.93 -0.60 116.97 118.63 1myr h TYR 38 Ca 0.07 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1myr h TYR 38 Cb 0.37 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1myr h TYR 38 CO 0.03 0.64 -0.12 1.96 -1.64 0.00 0.00 178.16 179.03 1myr h GLN 39 N 0.80 0.00 0.00 1.82 4.20 -1.73 -3.39 115.11 116.81 1myr h GLN 39 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1myr h GLN 39 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1myr h GLN 39 CO -0.02 0.12 -0.89 0.44 -0.67 0.00 0.00 178.83 177.81 1myr n ILE 40 N -3.21 0.00 -0.04 2.54 -5.35 -0.95 -2.09 119.36 110.26 1myr n ILE 40 Ca 0.01 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.31 1myr n ILE 40 Cb 0.43 -0.12 -0.13 0.00 -1.74 0.00 0.00 39.64 38.08 1myr n ILE 40 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1myr h GLU 41 N 0.00 0.09 0.00 6.28 5.08 -1.30 0.22 114.58 124.95 1myr h GLU 41 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1myr h GLU 41 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1myr h GLU 41 CO 0.00 1.08 0.00 0.41 -1.00 0.00 0.00 179.01 179.50 1myr n GLY 42 N 1.60 2.17 0.04 -3.84 0.00 -1.25 -1.96 105.19 101.95 1myr n GLY 42 Ca -0.18 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.06 1myr n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1myr n THR 43 N 1.86 0.24 -1.68 2.61 -2.24 -0.22 -4.82 114.28 110.03 1myr n THR 43 Ca 0.00 -0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.21 1myr n THR 43 Cb 0.00 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 1myr n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1myr n ILE 44 N -1.81 0.01 -0.94 2.28 3.06 -1.26 -1.65 119.36 119.05 1myr n ILE 44 Ca 0.06 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 1myr n ILE 44 Cb 0.38 -1.63 0.00 0.00 0.54 0.00 0.00 39.64 38.92 1myr n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1myr n GLY 45 N 3.54 0.84 3.35 4.50 0.00 -1.26 -5.01 105.19 111.14 1myr n GLY 45 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1myr n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1myr s ARG 46 N -0.06 1.40 0.77 1.61 1.70 -0.66 -4.76 118.95 118.95 1myr s ARG 46 Ca 0.00 -1.73 -0.13 0.00 -0.47 0.00 0.00 55.73 53.40 1myr s ARG 46 Cb 0.00 -0.59 0.18 0.00 -0.57 0.00 0.00 34.95 33.97 1myr s ARG 46 CO 0.00 -0.15 0.82 0.41 -1.08 0.00 0.00 175.30 175.30 1myr n GLY 47 N -0.47 -2.11 3.91 3.88 0.00 0.70 -4.95 105.19 106.15 1myr n GLY 47 Ca -0.04 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 1myr n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1myr s LEU 48 N 0.00 4.35 0.41 0.99 1.43 -1.26 -4.79 118.68 119.81 1myr s LEU 48 Ca 0.50 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1myr s LEU 48 Cb -0.03 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1myr s LEU 48 CO 0.37 0.18 0.12 0.54 0.23 0.00 0.00 176.35 177.79 1myr s ASN 49 N -2.24 2.87 0.40 2.29 2.20 -1.26 -0.72 114.94 118.48 1myr s ASN 49 Ca 0.33 -1.66 0.28 0.00 -0.94 0.00 0.00 52.86 50.88 1myr s ASN 49 Cb -0.13 0.48 1.15 0.00 -2.00 0.00 0.00 41.25 40.75 1myr s ASN 49 CO 0.23 -0.91 1.84 0.16 -2.94 0.00 0.00 177.10 175.49 1myr h ILE 50 N 1.77 0.00 -0.02 0.54 3.07 -0.26 0.99 117.51 123.60 1myr h ILE 50 Ca -0.36 -0.39 -0.19 0.00 1.55 0.00 0.00 64.86 65.47 1myr h ILE 50 Cb 1.27 1.26 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1myr h ILE 50 CO 0.59 0.00 -0.83 -0.50 -1.05 0.00 0.00 178.15 176.36 1myr h TRP 51 N 0.00 0.40 -0.20 0.16 4.06 -1.83 0.30 115.95 118.84 1myr h TRP 51 Ca 0.00 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.74 1myr h TRP 51 Cb 0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1myr h TRP 51 CO 0.00 0.99 0.10 -0.44 -3.56 0.00 0.00 178.44 175.53 1myr h ASP 52 N 0.17 0.26 -0.04 -3.49 3.32 -1.53 -1.84 116.42 113.27 1myr h ASP 52 Ca -0.04 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1myr h ASP 52 Cb 1.43 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 1myr h ASP 52 CO 0.13 0.31 -0.11 1.23 -1.72 0.00 0.00 179.24 179.09 1myr h GLY 53 N 0.20 -0.09 0.86 2.75 0.00 -0.74 -1.41 103.07 104.65 1myr h GLY 53 Ca 0.07 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 1myr h GLY 53 CO -0.01 -0.11 -0.09 -2.75 0.00 0.00 0.00 176.54 173.57 1myr h PHE 54 N -0.16 0.60 0.00 5.60 3.57 -0.39 -0.38 116.94 125.78 1myr h PHE 54 Ca 0.05 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1myr h PHE 54 Cb 0.23 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1myr h PHE 54 CO -0.19 0.76 -0.34 1.79 -2.23 0.00 0.00 178.31 178.11 1myr h THR 55 N 0.27 1.14 0.02 4.41 1.35 -1.23 0.84 112.91 119.71 1myr h THR 55 Ca 0.06 -1.21 -0.27 0.00 -0.55 0.00 0.00 66.41 64.45 1myr h THR 55 Cb 0.59 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1myr h THR 55 CO 0.03 0.33 -1.43 0.45 -0.25 0.00 0.00 175.52 174.65 1myr h HIS 56 N 0.00 0.08 0.13 4.73 3.86 -0.98 -3.17 115.15 119.81 1myr h HIS 56 Ca -0.00 -0.06 -0.28 0.00 -1.16 0.00 0.00 60.37 58.86 1myr h HIS 56 Cb 0.64 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1myr h HIS 56 CO 0.00 1.08 -1.32 -0.09 0.86 0.00 0.00 177.93 178.46 1myr h ARG 57 N 0.01 0.26 -2.18 2.45 2.43 -0.93 -3.38 114.38 113.05 1myr h ARG 57 Ca -0.18 -0.45 -0.57 0.00 -0.81 0.00 0.00 59.98 57.96 1myr h ARG 57 Cb 1.93 0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 31.23 1myr h ARG 57 CO 0.11 1.19 -0.76 0.66 -1.51 0.00 0.00 179.97 179.66 1myr n TYR 58 N -3.51 2.87 0.25 2.20 4.01 0.28 -4.95 117.16 118.31 1myr n TYR 58 Ca -0.10 -3.97 0.08 0.00 -0.16 0.00 0.00 57.90 53.74 1myr n TYR 58 Cb 1.03 -0.49 0.61 0.00 -0.31 0.00 0.00 39.34 40.19 1myr n TYR 58 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1myr h PRO 59 N 3.45 0.00 0.00 -0.72 0.13 -1.74 0.18 132.00 133.29 1myr h PRO 59 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1myr h PRO 59 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1myr h PRO 59 CO 0.74 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 1myr n ASP 60 N -4.43 0.00 -0.15 1.44 5.68 -1.26 -1.40 116.55 116.42 1myr n ASP 60 Ca -0.03 -0.20 0.09 0.00 -0.50 0.00 0.00 54.79 54.15 1myr n ASP 60 Cb 0.14 -0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 39.86 1myr n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1myr n LYS 61 N -1.19 1.15 0.10 0.11 5.02 0.60 -4.17 118.16 119.78 1myr n LYS 61 Ca 0.11 -0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.04 1myr n LYS 61 Cb 0.12 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1myr n LYS 61 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1myr h SER 62 N 0.76 0.00 0.00 4.39 4.64 -1.11 -3.39 113.55 118.84 1myr h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1myr h SER 62 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1myr h SER 62 CO 0.00 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1myr n GLY 63 N 0.94 2.04 0.25 -0.77 0.00 -1.23 -2.38 105.19 104.05 1myr n GLY 63 Ca -0.00 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.20 1myr n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1myr h PRO 64 N 0.00 0.00 -0.16 1.61 0.11 -1.76 0.72 132.00 132.52 1myr h PRO 64 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1myr h PRO 64 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1myr h PRO 64 CO 0.00 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.52 1myr n ASP 65 N -4.05 1.88 -1.85 -2.05 5.75 -1.26 -4.91 116.55 110.06 1myr n ASP 65 Ca -0.02 -1.72 -0.20 0.00 -0.01 0.00 0.00 54.79 52.84 1myr n ASP 65 Cb 0.21 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 1myr n ASP 65 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1myr n HIS 66 N 0.47 -0.35 -1.41 2.11 8.25 0.25 -4.96 115.22 119.56 1myr n HIS 66 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 1myr n HIS 66 Cb 0.37 -3.58 0.08 0.00 1.12 0.00 0.00 29.99 27.99 1myr n HIS 66 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1myr s GLY 67 N -2.51 1.66 0.15 -1.41 0.00 -1.26 -4.84 107.32 99.11 1myr s GLY 67 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1myr s GLY 67 CO 0.00 0.45 0.23 1.16 0.00 0.00 0.00 173.10 174.94 1myr n ASN 68 N -3.40 -0.66 -1.24 1.64 0.23 -1.26 -4.36 115.26 106.20 1myr n ASN 68 Ca 0.08 -1.78 0.01 0.00 -0.53 0.00 0.00 54.58 52.36 1myr n ASN 68 Cb 0.54 1.19 0.18 0.00 -2.08 0.00 0.00 39.78 39.61 1myr n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1myr n GLY 69 N -0.24 2.38 0.15 4.83 0.00 -1.26 -4.43 105.19 106.62 1myr n GLY 69 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1myr n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1myr h ASP 70 N 1.70 0.02 0.00 1.61 5.19 -1.95 -3.33 116.42 119.66 1myr h ASP 70 Ca 0.05 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1myr h ASP 70 Cb 1.33 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1myr h ASP 70 CO 0.29 0.05 -0.76 0.35 -3.12 0.00 0.00 179.24 176.04 1myr n THR 71 N -5.09 0.00 0.00 0.35 -2.24 -1.26 -1.05 114.28 104.99 1myr n THR 71 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1myr n THR 71 Cb 0.15 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1myr n THR 71 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1myr n THR 72 N -2.05 0.00 1.00 4.28 5.66 -1.26 -0.54 114.28 121.37 1myr n THR 72 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1myr n THR 72 Cb 0.38 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.29 1myr n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1myr n ASP 74 N 0.29 -1.42 0.07 0.00 2.03 0.30 -4.79 116.55 113.03 1myr n ASP 74 Ca 0.09 -1.03 0.10 0.00 0.52 0.00 0.00 54.79 54.47 1myr n ASP 74 Cb 0.29 -3.01 0.42 0.00 -0.72 0.00 0.00 41.12 38.11 1myr n ASP 74 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1myr n SER 75 N -2.88 0.39 0.08 1.67 7.64 0.75 -0.35 113.62 120.91 1myr n SER 75 Ca -0.26 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.09 1myr n SER 75 Cb 0.66 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1myr n SER 75 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1myr h PHE 76 N 0.00 -0.49 0.00 1.43 3.57 -1.58 -2.16 116.94 117.71 1myr h PHE 76 Ca 0.00 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.25 1myr h PHE 76 Cb 0.36 0.21 0.02 0.00 2.79 0.00 0.00 35.95 39.33 1myr h PHE 76 CO 0.00 -0.27 -1.04 0.77 -2.23 0.00 0.00 178.31 175.54 1myr h SER 77 N -0.33 0.91 -0.76 0.41 0.02 -1.62 -3.37 113.55 108.81 1myr h SER 77 Ca 0.04 -0.74 -0.42 0.00 -0.84 0.00 0.00 61.79 59.84 1myr h SER 77 Cb 0.38 -0.28 -0.24 0.00 0.14 0.00 0.00 62.40 62.40 1myr h SER 77 CO -0.14 1.54 0.37 -1.22 -1.14 0.00 0.00 176.83 176.24 1myr n TYR 78 N -3.86 2.38 0.18 3.45 4.01 0.53 -4.62 117.16 119.23 1myr n TYR 78 Ca -0.11 -1.88 0.07 0.00 -0.16 0.00 0.00 57.90 55.82 1myr n TYR 78 Cb 0.88 -0.81 0.58 0.00 -0.31 0.00 0.00 39.34 39.68 1myr n TYR 78 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1myr h TRP 79 N 1.12 0.15 -0.31 -0.72 5.08 -1.56 0.97 115.95 120.67 1myr h TRP 79 Ca 0.48 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.38 1myr h TRP 79 Cb 2.24 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 28.34 1myr h TRP 79 CO 1.37 0.09 -0.13 0.37 -1.28 0.00 0.00 178.44 178.86 1myr h GLN 80 N 0.16 0.54 -0.27 0.12 5.75 -1.88 -1.10 115.11 118.44 1myr h GLN 80 Ca 0.05 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.31 1myr h GLN 80 Cb 0.00 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1myr h GLN 80 CO -0.01 0.67 -0.16 0.87 -2.65 0.00 0.00 178.83 177.55 1myr h LYS 81 N 0.50 0.46 -0.24 1.69 1.79 -1.17 0.15 116.57 119.75 1myr h LYS 81 Ca 0.09 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1myr h LYS 81 Cb 0.53 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1myr h LYS 81 CO 0.03 0.62 0.11 -0.44 -1.08 0.00 0.00 179.45 178.69 1myr h ASP 82 N 0.43 0.32 -0.75 0.86 3.32 -0.92 -1.55 116.42 118.13 1myr h ASP 82 Ca 0.08 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1myr h ASP 82 Cb 0.53 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1myr h ASP 82 CO 0.03 0.37 0.47 0.40 -1.72 0.00 0.00 179.24 178.79 1myr h ILE 83 N 0.25 1.08 -0.73 0.35 2.04 -0.86 -1.34 117.51 118.30 1myr h ILE 83 Ca 0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1myr h ILE 83 Cb 0.14 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1myr h ILE 83 CO -0.01 0.16 0.48 0.44 0.00 0.00 0.00 178.15 179.22 1myr h ASP 84 N 0.89 0.85 -0.22 1.72 3.32 -0.41 0.19 116.42 122.75 1myr h ASP 84 Ca 0.31 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1myr h ASP 84 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1myr h ASP 84 CO -0.13 0.62 0.08 0.58 -1.72 0.00 0.00 179.24 178.67 1myr h VAL 85 N 1.00 1.17 -0.96 -1.35 2.07 -0.25 0.55 116.25 118.48 1myr h VAL 85 Ca 0.27 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1myr h VAL 85 Cb -0.10 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1myr h VAL 85 CO -0.06 0.17 0.63 -0.07 0.02 0.00 0.00 177.57 178.27 1myr h LEU 86 N 0.20 1.08 -0.30 2.57 3.38 -0.68 -0.42 115.31 121.14 1myr h LEU 86 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1myr h LEU 86 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1myr h LEU 86 CO -0.01 0.77 0.10 -0.78 0.09 0.00 0.00 178.44 178.61 1myr h ASP 87 N 1.27 0.44 -0.90 -0.43 3.58 -0.42 -0.13 116.42 119.83 1myr h ASP 87 Ca 0.36 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1myr h ASP 87 Cb -0.10 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1myr h ASP 87 CO -0.09 0.53 0.56 -0.08 -2.88 0.00 0.00 179.24 177.27 1myr h GLU 88 N 0.33 1.21 0.00 0.28 4.81 -0.47 -0.18 114.58 120.56 1myr h GLU 88 Ca 0.10 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1myr h GLU 88 Cb 0.24 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1myr h GLU 88 CO -0.00 0.83 0.00 -0.07 -0.73 0.00 0.00 179.01 179.04 1myr h LEU 89 N 1.23 0.00 0.77 1.64 3.38 -0.54 -3.46 115.31 118.33 1myr h LEU 89 Ca 0.32 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.89 1myr h LEU 89 Cb -0.08 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.72 1myr h LEU 89 CO -0.06 0.00 -0.61 -3.20 0.09 0.00 0.00 178.44 174.66 1myr n ASN 90 N -2.64 -5.80 -4.76 -0.43 5.15 -0.08 -4.60 115.26 102.10 1myr n ASN 90 Ca 0.01 -0.33 -0.38 0.00 -0.60 0.00 0.00 54.58 53.28 1myr n ASN 90 Cb 0.22 -4.69 0.03 0.00 -0.53 0.00 0.00 39.78 34.82 1myr n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1myr s ALA 91 N -3.16 2.91 -1.13 5.20 0.00 -0.17 -4.93 121.76 120.48 1myr s ALA 91 Ca 0.35 1.28 0.15 0.00 0.00 0.00 0.00 51.96 53.74 1myr s ALA 91 Cb -0.16 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1myr s ALA 91 CO 0.43 -1.21 0.75 0.25 0.00 0.00 0.00 175.76 175.98 1myr n THR 92 N -0.79 0.00 -3.98 0.00 -2.24 0.45 -4.57 114.28 103.14 1myr n THR 92 Ca 0.09 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 1myr n THR 92 Cb 0.45 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 1myr n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1myr s GLY 93 N -2.09 0.25 -0.06 3.38 0.00 -0.83 -0.19 107.32 107.78 1myr s GLY 93 Ca 0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1myr s GLY 93 CO 0.49 -0.63 0.11 -0.47 0.00 0.00 0.00 173.10 172.60 1myr s TYR 94 N -1.36 -0.08 -0.22 1.90 5.04 -0.37 -3.16 117.35 119.11 1myr s TYR 94 Ca -0.14 0.44 -0.13 0.00 -2.44 0.00 0.00 57.07 54.79 1myr s TYR 94 Cb -0.09 -0.31 -0.04 0.00 0.35 0.00 0.00 41.96 41.86 1myr s TYR 94 CO -0.01 -0.22 0.27 0.50 -1.34 0.00 0.00 175.55 174.76 1myr s ARG 95 N 2.02 4.13 0.17 4.97 3.52 -0.33 -0.62 118.95 132.81 1myr s ARG 95 Ca 0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.57 1myr s ARG 95 Cb -0.12 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1myr s ARG 95 CO -0.05 0.03 0.09 -0.59 -0.81 0.00 0.00 175.30 173.96 1myr s PHE 96 N 1.14 1.06 0.17 5.12 -0.12 -0.60 -0.55 117.98 124.21 1myr s PHE 96 Ca 0.13 -1.27 0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1myr s PHE 96 Cb -0.14 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 1myr s PHE 96 CO 0.06 -0.53 -0.10 -1.54 -0.05 0.00 0.00 175.22 173.06 1myr s SER 97 N -3.12 4.24 -0.12 1.98 1.04 -1.25 -0.37 113.70 116.10 1myr s SER 97 Ca 0.31 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1myr s SER 97 Cb 0.07 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 1myr s SER 97 CO 0.07 0.11 0.53 -0.63 0.98 0.00 0.00 173.24 174.30 1myr s ILE 98 N -1.62 5.15 -0.38 -1.02 1.01 -0.25 -4.19 121.20 119.90 1myr s ILE 98 Ca 0.24 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 1myr s ILE 98 Cb -0.09 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1myr s ILE 98 CO 0.15 0.29 1.24 0.00 0.00 0.00 0.00 174.94 176.61 1myr s ALA 99 N 0.82 3.26 0.27 9.38 0.00 -1.26 -4.62 121.76 129.61 1myr s ALA 99 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1myr s ALA 99 Cb -0.16 -3.83 0.59 0.00 0.00 0.00 0.00 23.12 19.73 1myr s ALA 99 CO 0.12 -1.99 1.72 2.35 0.00 0.00 0.00 175.76 177.95 1myr h TRP 100 N 9.35 0.62 0.00 0.00 2.91 -1.81 0.77 115.95 127.79 1myr h TRP 100 Ca -0.24 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1myr h TRP 100 Cb 1.08 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1myr h TRP 100 CO 0.92 0.04 0.00 0.77 -1.03 0.00 0.00 178.44 179.14 1myr h SER 101 N 0.46 0.00 0.64 2.65 0.02 -1.78 0.26 113.55 115.81 1myr h SER 101 Ca 0.49 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.17 1myr h SER 101 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1myr h SER 101 CO -0.45 0.00 -1.39 -0.09 -1.14 0.00 0.00 176.83 173.75 1myr h ARG 102 N 0.00 0.12 0.00 3.45 2.43 -1.15 0.20 114.38 119.42 1myr h ARG 102 Ca 0.00 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.86 1myr h ARG 102 Cb 0.16 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1myr h ARG 102 CO 0.00 0.94 -1.91 0.44 -1.51 0.00 0.00 179.97 177.93 1myr n ILE 103 N -3.33 0.41 -3.48 1.20 -5.35 -0.93 -4.23 119.36 103.65 1myr n ILE 103 Ca -0.11 -0.51 -0.27 0.00 -0.27 0.00 0.00 62.75 61.60 1myr n ILE 103 Cb 1.01 -0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.66 1myr n ILE 103 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1myr n ILE 104 N -2.29 -0.35 0.08 7.28 5.41 0.88 -0.51 119.36 129.86 1myr n ILE 104 Ca -0.12 -3.90 0.16 0.00 1.00 0.00 0.00 62.75 59.88 1myr n ILE 104 Cb 0.67 -1.83 0.66 0.00 -0.71 0.00 0.00 39.64 38.43 1myr n ILE 104 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1myr h PRO 105 N 5.30 0.03 -0.52 0.38 0.11 -1.70 0.22 132.00 135.83 1myr h PRO 105 Ca 0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1myr h PRO 105 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1myr h PRO 105 CO 0.48 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 1myr n ARG 106 N -4.44 2.27 0.00 1.05 1.74 -1.26 -4.68 116.66 111.35 1myr n ARG 106 Ca 0.06 -1.48 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 1myr n ARG 106 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1myr n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1myr n GLY 107 N 0.86 1.70 3.71 -0.13 0.00 0.07 -4.87 105.19 106.52 1myr n GLY 107 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1myr n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1myr s LYS 108 N 0.00 4.42 0.41 1.61 2.20 -1.26 -4.88 119.74 122.25 1myr s LYS 108 Ca 0.00 0.91 0.09 0.00 -0.36 0.00 0.00 55.97 56.61 1myr s LYS 108 Cb 0.00 -3.47 0.88 0.00 -1.51 0.00 0.00 37.83 33.73 1myr s LYS 108 CO 0.00 0.01 2.02 -0.09 -0.36 0.00 0.00 175.35 176.93 1myr h ARG 109 N 6.85 0.39 0.00 4.03 2.43 -1.88 -0.69 114.38 125.52 1myr h ARG 109 Ca -0.39 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1myr h ARG 109 Cb 1.19 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1myr h ARG 109 CO 0.76 0.33 0.00 0.66 -1.51 0.00 0.00 179.97 180.21 1myr h SER 110 N 0.39 0.00 0.40 -3.80 4.64 -1.98 0.67 113.55 113.87 1myr h SER 110 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1myr h SER 110 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1myr h SER 110 CO -0.01 0.00 -0.00 0.54 -0.87 0.00 0.00 176.83 176.49 1myr n ARG 111 N -2.42 0.61 0.00 4.77 1.74 -0.26 -5.00 116.66 116.09 1myr n ARG 111 Ca -0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1myr n ARG 111 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1myr n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1myr n GLY 112 N 1.20 2.91 3.49 -0.13 0.00 0.23 -4.95 105.19 107.94 1myr n GLY 112 Ca 0.17 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1myr n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1myr s VAL 113 N -2.65 2.83 -0.78 1.61 -7.23 -1.26 -4.65 120.40 108.25 1myr s VAL 113 Ca 0.00 -1.58 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 1myr s VAL 113 Cb 0.00 -2.31 0.10 0.00 0.56 0.00 0.00 36.38 34.73 1myr s VAL 113 CO 0.00 0.05 1.03 0.21 -0.31 0.00 0.00 175.10 176.08 1myr s ASN 114 N -2.28 6.38 0.33 4.85 2.47 0.34 -4.92 114.94 122.11 1myr s ASN 114 Ca 0.19 -1.51 0.03 0.00 0.42 0.00 0.00 52.86 51.99 1myr s ASN 114 Cb -0.10 -2.40 0.64 0.00 -1.45 0.00 0.00 41.25 37.93 1myr s ASN 114 CO 0.11 -1.25 1.92 -0.61 -3.72 0.00 0.00 177.10 173.55 1myr h GLN 115 N 9.21 0.87 -0.44 0.43 5.75 -1.91 -0.44 115.11 128.59 1myr h GLN 115 Ca -0.08 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.31 1myr h GLN 115 Cb 1.05 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1myr h GLN 115 CO 1.15 0.57 0.03 0.87 -2.65 0.00 0.00 178.83 178.80 1myr h LYS 116 N 0.89 0.70 -0.36 1.69 1.79 -1.93 -0.48 116.57 118.88 1myr h LYS 116 Ca 0.38 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 1myr h LYS 116 Cb 0.30 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1myr h LYS 116 CO -0.14 0.69 -0.20 0.78 -1.08 0.00 0.00 179.45 179.50 1myr h GLY 117 N 0.93 0.74 1.39 3.86 0.00 -1.33 -0.56 103.07 108.09 1myr h GLY 117 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1myr h GLY 117 CO 0.01 0.55 -0.07 -2.22 0.00 0.00 0.00 176.54 174.81 1myr h ILE 118 N 0.60 1.25 -0.44 2.60 2.04 -0.77 -2.64 117.51 120.15 1myr h ILE 118 Ca 0.09 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 1myr h ILE 118 Cb 0.67 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1myr h ILE 118 CO 0.05 0.37 -0.20 0.44 0.00 0.00 0.00 178.15 178.81 1myr h ASP 119 N 0.68 0.94 -0.32 1.72 3.32 -0.68 -0.88 116.42 121.21 1myr h ASP 119 Ca 0.12 -0.40 0.07 0.00 0.02 0.00 0.00 57.03 56.84 1myr h ASP 119 Cb 0.52 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 1myr h ASP 119 CO 0.03 1.13 -0.31 0.22 -1.72 0.00 0.00 179.24 178.59 1myr h TYR 120 N 0.75 -0.86 -0.48 4.55 3.20 -0.75 0.34 116.97 123.72 1myr h TYR 120 Ca 0.10 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1myr h TYR 120 Cb 0.77 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1myr h TYR 120 CO 0.06 -0.38 -0.15 1.88 -1.64 0.00 0.00 178.16 177.93 1myr h TYR 121 N -0.28 1.02 -0.55 -3.82 0.05 -1.25 -2.05 116.97 110.09 1myr h TYR 121 Ca 0.15 -0.21 0.09 0.00 0.05 0.00 0.00 58.73 58.81 1myr h TYR 121 Cb 0.53 -0.25 -0.07 0.00 1.01 0.00 0.00 36.73 37.94 1myr h TYR 121 CO -0.49 0.99 0.13 0.45 -1.05 0.00 0.00 178.16 178.19 1myr h HIS 122 N 0.80 0.21 -0.51 4.88 3.86 -0.76 0.11 115.15 123.75 1myr h HIS 122 Ca 0.12 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1myr h HIS 122 Cb 0.69 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1myr h HIS 122 CO 0.04 0.01 0.14 0.78 0.86 0.00 0.00 177.93 179.76 1myr h GLY 123 N 0.27 0.86 0.90 2.45 0.00 -0.72 -0.11 103.07 106.74 1myr h GLY 123 Ca 0.28 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1myr h GLY 123 CO -0.34 0.49 -0.05 -2.00 0.00 0.00 0.00 176.54 174.64 1myr h LEU 124 N 0.70 -0.11 -0.62 3.11 5.85 -1.04 -0.67 115.31 122.54 1myr h LEU 124 Ca 0.16 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1myr h LEU 124 Cb 0.30 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1myr h LEU 124 CO -0.00 0.02 0.38 0.40 -0.34 0.00 0.00 178.44 178.89 1myr h ILE 125 N -0.23 1.18 0.29 4.05 2.04 -0.62 -0.35 117.51 123.86 1myr h ILE 125 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1myr h ILE 125 Cb 0.19 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1myr h ILE 125 CO 0.02 0.18 -0.34 0.44 0.00 0.00 0.00 178.15 178.46 1myr h ASP 126 N 0.84 -0.93 -0.88 1.72 3.32 -0.91 -0.65 116.42 118.93 1myr h ASP 126 Ca 0.22 0.09 0.13 0.00 0.02 0.00 0.00 57.03 57.49 1myr h ASP 126 Cb -0.04 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1myr h ASP 126 CO -0.04 -0.46 0.57 1.23 -1.72 0.00 0.00 179.24 178.81 1myr h GLY 127 N -0.67 1.20 0.74 2.75 0.00 -0.65 0.82 103.07 107.27 1myr h GLY 127 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1myr h GLY 127 CO -0.09 0.12 0.00 1.41 0.00 0.00 0.00 176.54 177.99 1myr h LEU 128 N 0.74 0.05 -1.27 3.11 3.38 -0.60 -2.78 115.31 117.93 1myr h LEU 128 Ca 0.43 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1myr h LEU 128 Cb 0.62 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1myr h LEU 128 CO -0.19 0.31 0.48 0.40 0.09 0.00 0.00 178.44 179.53 1myr h ILE 129 N -0.21 1.19 -0.02 1.22 2.04 -0.85 0.42 117.51 121.30 1myr h ILE 129 Ca 0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1myr h ILE 129 Cb 0.28 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1myr h ILE 129 CO 0.00 0.18 0.00 0.11 0.00 0.00 0.00 178.15 178.45 1myr h LYS 130 N 1.00 0.03 -0.63 2.37 1.79 -0.67 -0.49 116.57 119.97 1myr h LYS 130 Ca 0.27 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1myr h LYS 130 Cb -0.11 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1myr h LYS 130 CO -0.06 0.03 0.00 1.63 -1.08 0.00 0.00 179.45 179.97 1myr n LYS 131 N -4.52 3.78 -1.92 3.15 4.76 -0.60 -4.95 118.16 117.86 1myr n LYS 131 Ca -0.03 -2.89 -0.10 0.00 -2.87 0.00 0.00 58.31 52.41 1myr n LYS 131 Cb 0.10 -1.90 -0.02 0.00 -1.84 0.00 0.00 35.03 31.37 1myr n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1myr n GLY 132 N 1.03 0.33 3.56 0.72 0.00 -0.19 -4.97 105.19 105.68 1myr n GLY 132 Ca 0.26 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1myr n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1myr s ILE 133 N -2.48 4.63 -0.37 -0.61 1.01 0.04 -4.66 121.20 118.76 1myr s ILE 133 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1myr s ILE 133 Cb 0.00 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1myr s ILE 133 CO 0.00 0.41 1.06 -0.89 0.00 0.00 0.00 174.94 175.51 1myr s THR 134 N 0.87 4.46 0.30 2.92 2.01 0.74 -3.82 115.64 123.12 1myr s THR 134 Ca 0.04 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 1myr s THR 134 Cb -0.14 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.83 1myr s THR 134 CO 0.03 -0.61 1.34 -2.84 -0.69 0.00 0.00 174.62 171.84 1myr s PRO 135 N 3.79 4.34 -0.25 4.92 0.02 -1.26 -1.23 135.00 145.33 1myr s PRO 135 Ca 0.44 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.70 1myr s PRO 135 Cb -0.11 -3.09 0.06 0.00 0.02 0.00 0.00 34.50 31.37 1myr s PRO 135 CO 0.20 -0.25 -0.10 -0.06 -0.33 0.00 0.00 177.00 176.46 1myr s PHE 136 N -0.74 3.00 -0.19 6.54 0.40 0.21 -4.04 117.98 123.16 1myr s PHE 136 Ca 0.52 -2.12 -0.03 0.00 -0.60 0.00 0.00 56.93 54.70 1myr s PHE 136 Cb -0.40 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 1myr s PHE 136 CO 0.49 -0.84 -0.06 0.08 0.70 0.00 0.00 175.22 175.59 1myr s VAL 137 N 1.19 3.47 -0.16 -0.44 1.01 -0.21 -1.55 120.40 123.70 1myr s VAL 137 Ca -0.07 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 1myr s VAL 137 Cb -0.19 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1myr s VAL 137 CO -0.06 0.46 0.74 -0.89 0.00 0.00 0.00 175.10 175.34 1myr s THR 138 N 0.97 4.96 0.11 3.92 2.01 0.51 -0.07 115.64 128.05 1myr s THR 138 Ca -0.00 1.44 -0.14 0.00 0.31 0.00 0.00 61.69 63.29 1myr s THR 138 Cb -0.15 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1myr s THR 138 CO 0.00 0.09 1.45 -0.07 -0.69 0.00 0.00 174.62 175.41 1myr h LEU 139 N 8.03 0.80 -7.03 4.42 3.38 -0.44 -0.64 115.31 123.83 1myr h LEU 139 Ca -0.32 -0.45 -0.56 0.00 0.09 0.00 0.00 57.88 56.64 1myr h LEU 139 Cb 1.15 -0.22 -0.40 0.00 0.09 0.00 0.00 40.66 41.27 1myr h LEU 139 CO 0.80 1.08 -0.76 0.12 0.09 0.00 0.00 178.44 179.76 1myr s PHE 140 N -4.45 1.17 -0.79 1.13 5.36 0.07 -4.49 117.98 115.98 1myr s PHE 140 Ca -0.12 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.48 1myr s PHE 140 Cb 0.09 -1.38 0.36 0.00 -0.34 0.00 0.00 43.02 41.75 1myr s PHE 140 CO 0.84 -0.84 1.70 1.58 -1.46 0.00 0.00 175.22 177.04 1myr n HIS 141 N 5.00 3.12 0.00 10.12 -0.00 -1.26 -1.03 115.22 131.17 1myr n HIS 141 Ca -0.04 -2.69 0.00 0.00 -0.00 0.00 0.00 57.72 54.99 1myr n HIS 141 Cb 0.42 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1myr n HIS 141 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1myr n TRP 142 N -0.39 0.00 -2.11 1.57 8.01 -1.26 -4.83 117.44 118.44 1myr n TRP 142 Ca 0.47 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.24 1myr n TRP 142 Cb 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 1myr n TRP 142 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1myr n ASP 143 N 0.00 4.64 -4.72 -0.99 5.75 -1.26 -4.66 116.55 115.32 1myr n ASP 143 Ca 0.00 -3.01 -0.42 0.00 -0.01 0.00 0.00 54.79 51.35 1myr n ASP 143 Cb 0.00 -1.54 -0.03 0.00 -1.03 0.00 0.00 41.12 38.52 1myr n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1myr s LEU 144 N 0.70 4.38 0.22 -2.12 2.96 -1.26 -4.43 118.68 119.13 1myr s LEU 144 Ca 0.42 2.20 -0.31 0.00 -0.22 0.00 0.00 54.13 56.23 1myr s LEU 144 Cb 0.11 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 43.07 1myr s LEU 144 CO -0.03 -0.56 1.15 -2.65 -1.32 0.00 0.00 176.35 172.95 1myr n PRO 145 N 3.77 1.38 -0.25 0.98 -0.02 -1.26 0.46 135.00 140.05 1myr n PRO 145 Ca 0.10 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 1myr n PRO 145 Cb 0.44 -1.97 0.15 0.00 -0.02 0.00 0.00 33.50 32.10 1myr n PRO 145 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1myr h GLN 146 N 3.05 1.08 -0.99 -0.52 5.75 -1.16 -0.87 115.11 121.45 1myr h GLN 146 Ca -0.42 -0.14 0.19 0.00 -0.15 0.00 0.00 58.65 58.13 1myr h GLN 146 Cb 1.33 -0.21 -0.11 0.00 1.07 0.00 0.00 27.48 29.57 1myr h GLN 146 CO 0.68 0.81 0.59 0.00 -2.65 0.00 0.00 178.83 178.26 1myr h THR 147 N 1.08 0.70 -0.35 2.39 1.03 -1.88 0.28 112.91 116.16 1myr h THR 147 Ca 0.27 -0.25 -0.17 0.00 -0.01 0.00 0.00 66.41 66.25 1myr h THR 147 Cb 0.07 -0.11 -0.00 0.00 -1.07 0.00 0.00 68.15 67.03 1myr h THR 147 CO -0.04 0.14 -0.43 -0.07 -0.01 0.00 0.00 175.52 175.10 1myr h LEU 148 N 0.74 0.96 -1.07 0.00 3.38 -1.49 0.19 115.31 118.03 1myr h LEU 148 Ca 0.57 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1myr h LEU 148 Cb 0.89 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1myr h LEU 148 CO -0.39 1.26 0.26 -0.61 0.09 0.00 0.00 178.44 179.05 1myr h GLN 149 N 0.72 0.93 0.00 1.13 5.75 -1.20 -1.74 115.11 120.68 1myr h GLN 149 Ca 0.05 -0.14 -0.18 0.00 -0.15 0.00 0.00 58.65 58.22 1myr h GLN 149 Cb 1.03 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1myr h GLN 149 CO 0.10 0.75 -0.85 -0.44 -2.65 0.00 0.00 178.83 175.75 1myr h ASP 150 N 0.91 0.00 -0.03 -0.69 3.32 -0.62 0.34 116.42 119.65 1myr h ASP 150 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1myr h ASP 150 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1myr h ASP 150 CO -0.02 0.85 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.98 1myr h GLU 151 N 0.00 0.07 0.00 3.56 5.08 -0.56 -3.41 114.58 119.32 1myr h GLU 151 Ca -0.01 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1myr h GLU 151 Cb 1.57 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.72 1myr h GLU 151 CO 0.11 0.55 -0.50 2.48 -1.00 0.00 0.00 179.01 180.65 1myr n TYR 152 N -4.79 0.00 -3.32 4.33 0.18 -0.85 -5.01 117.16 107.71 1myr n TYR 152 Ca -0.08 -0.17 -0.23 0.00 1.88 0.00 0.00 57.90 59.31 1myr n TYR 152 Cb 0.28 0.05 0.06 0.00 -0.38 0.00 0.00 39.34 39.34 1myr n TYR 152 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1myr n GLU 153 N 0.11 -6.47 0.00 -3.48 -0.58 0.12 -4.04 120.64 106.30 1myr n GLU 153 Ca -0.02 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1myr n GLU 153 Cb 0.76 -5.73 0.00 0.00 -0.57 0.00 0.00 31.44 25.90 1myr n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1myr n GLY 154 N -1.77 3.50 0.00 0.62 0.00 -0.72 -1.34 105.19 105.48 1myr n GLY 154 Ca -0.04 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1myr n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1myr n PHE 155 N 14.00 0.00 0.30 1.61 3.01 -1.26 -1.63 117.46 133.49 1myr n PHE 155 Ca 0.00 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.65 1myr n PHE 155 Cb 0.00 -0.21 0.89 0.00 -0.01 0.00 0.00 39.48 40.15 1myr n PHE 155 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1myr h LEU 156 N 0.00 0.00 -8.62 4.37 5.85 -1.48 -3.38 115.31 112.05 1myr h LEU 156 Ca 0.00 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.04 1myr h LEU 156 Cb 0.15 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 40.89 1myr h LEU 156 CO 0.00 0.00 -0.88 -0.62 -0.34 0.00 0.00 178.44 176.60 1myr s ASP 157 N -5.36 2.95 0.12 1.25 -1.08 -0.65 -4.84 116.67 109.06 1myr s ASP 157 Ca -0.01 -0.49 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 1myr s ASP 157 Cb 0.10 -0.31 0.56 0.00 -1.46 0.00 0.00 42.92 41.82 1myr s ASP 157 CO 0.47 0.28 1.36 -0.81 0.52 0.00 0.00 175.17 177.00 1myr n PRO 158 N 2.23 0.06 0.30 4.34 -0.04 -1.26 -1.62 135.00 139.01 1myr n PRO 158 Ca -0.16 0.47 0.17 0.00 -0.04 0.00 0.00 63.50 63.94 1myr n PRO 158 Cb 0.52 -1.67 0.99 0.00 -0.04 0.00 0.00 33.50 33.30 1myr n PRO 158 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1myr h GLN 159 N 0.00 0.00 0.00 0.54 4.20 -1.95 -1.58 115.11 116.32 1myr h GLN 159 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1myr h GLN 159 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1myr h GLN 159 CO 0.00 0.00 -0.09 0.97 -0.67 0.00 0.00 178.83 179.04 1myr h ILE 160 N 0.00 0.83 0.04 2.54 6.09 -1.50 -3.09 117.51 122.41 1myr h ILE 160 Ca 0.01 -0.34 -0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1myr h ILE 160 Cb 0.05 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.54 1myr h ILE 160 CO -0.00 0.09 -0.02 0.40 -3.07 0.00 0.00 178.15 175.55 1myr h ILE 161 N 0.00 0.97 -0.01 2.19 2.04 -1.51 0.24 117.51 121.43 1myr h ILE 161 Ca -0.00 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 1myr h ILE 161 Cb 0.19 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1myr h ILE 161 CO 0.01 0.00 -0.69 0.44 0.00 0.00 0.00 178.15 177.91 1myr h ASP 162 N -0.05 0.08 -0.32 1.72 3.32 -1.73 -0.34 116.42 119.10 1myr h ASP 162 Ca -0.00 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1myr h ASP 162 Cb 0.04 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1myr h ASP 162 CO 0.01 0.74 -0.36 0.44 -1.72 0.00 0.00 179.24 178.35 1myr h ASP 163 N 0.04 0.87 -0.51 6.45 3.32 -1.45 -0.44 116.42 124.70 1myr h ASP 163 Ca -0.01 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1myr h ASP 163 Cb 1.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1myr h ASP 163 CO 0.09 1.18 -0.02 0.15 -1.72 0.00 0.00 179.24 178.92 1myr h PHE 164 N 0.58 1.04 -0.16 4.55 3.57 -0.28 -1.56 116.94 124.68 1myr h PHE 164 Ca 0.04 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1myr h PHE 164 Cb 0.95 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1myr h PHE 164 CO 0.07 0.94 0.10 -0.22 -2.23 0.00 0.00 178.31 176.97 1myr h LYS 165 N 0.88 0.22 -0.50 1.11 3.64 -0.74 0.10 116.57 121.28 1myr h LYS 165 Ca 0.16 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1myr h LYS 165 Cb 0.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1myr h LYS 165 CO 0.03 0.17 0.05 -0.44 -2.27 0.00 0.00 179.45 176.99 1myr h ASP 166 N 0.20 0.75 -0.00 4.20 3.32 -0.93 0.57 116.42 124.52 1myr h ASP 166 Ca 0.06 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1myr h ASP 166 Cb 0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1myr h ASP 166 CO -0.01 0.79 0.00 0.22 -1.72 0.00 0.00 179.24 178.52 1myr h TYR 167 N 0.75 0.01 -0.89 4.55 3.20 -0.93 -2.22 116.97 121.43 1myr h TYR 167 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1myr h TYR 167 Cb 0.38 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1myr h TYR 167 CO 0.02 0.20 0.59 0.00 -1.64 0.00 0.00 178.16 177.33 1myr h ALA 168 N 0.81 1.39 -0.85 1.82 0.00 -0.49 -1.99 119.26 119.96 1myr h ALA 168 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1myr h ALA 168 Cb 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1myr h ALA 168 CO -0.00 0.55 0.49 0.22 0.00 0.00 0.00 179.25 180.51 1myr h ASP 169 N 1.18 1.04 -0.43 0.00 3.58 -0.73 0.35 116.42 121.40 1myr h ASP 169 Ca 0.34 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1myr h ASP 169 Cb -0.08 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1myr h ASP 169 CO -0.08 0.82 0.12 0.25 -2.88 0.00 0.00 179.24 177.46 1myr h LEU 170 N 1.17 0.65 -0.15 2.28 5.85 -0.81 0.18 115.31 124.47 1myr h LEU 170 Ca 0.30 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1myr h LEU 170 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1myr h LEU 170 CO -0.05 0.70 0.06 0.00 -0.34 0.00 0.00 178.44 178.81 1myr h PHE 172 N 0.15 0.50 -0.58 0.00 0.04 -0.69 0.36 116.94 116.72 1myr h PHE 172 Ca 0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1myr h PHE 172 Cb 0.03 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 1myr h PHE 172 CO -0.10 0.35 0.25 1.49 -0.60 0.00 0.00 178.31 179.70 1myr h GLU 173 N 0.51 0.86 0.11 1.51 4.81 -0.78 0.19 114.58 121.79 1myr h GLU 173 Ca 0.14 -0.15 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1myr h GLU 173 Cb -0.01 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1myr h GLU 173 CO -0.03 0.73 -1.32 0.93 -0.73 0.00 0.00 179.01 178.59 1myr h GLU 174 N 0.80 0.23 0.00 1.92 4.39 -0.60 -3.41 114.58 117.91 1myr h GLU 174 Ca 0.20 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1myr h GLU 174 Cb 0.18 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1myr h GLU 174 CO -0.02 1.14 -0.60 1.19 -1.16 0.00 0.00 179.01 179.56 1myr n PHE 175 N -3.47 0.00 0.26 4.33 3.72 0.13 -4.70 117.46 117.72 1myr n PHE 175 Ca -0.10 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.39 1myr n PHE 175 Cb 1.02 -0.00 0.44 0.00 -0.94 0.00 0.00 39.48 40.00 1myr n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1myr n GLY 176 N 1.89 -0.97 0.24 1.37 0.00 0.05 -0.61 105.19 107.17 1myr n GLY 176 Ca -0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1myr n GLY 176 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1myr h ASP 177 N 0.00 0.00 0.00 1.61 3.32 -1.84 -3.31 116.42 116.20 1myr h ASP 177 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1myr h ASP 177 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1myr h ASP 177 CO 0.00 0.16 -1.22 -1.20 -1.72 0.00 0.00 179.24 175.26 1myr n SER 178 N -3.38 4.05 -4.68 6.45 7.64 -0.59 -4.97 113.62 118.14 1myr n SER 178 Ca -0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1myr n SER 178 Cb 0.36 0.97 -0.08 0.00 -1.01 0.00 0.00 64.21 64.45 1myr n SER 178 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1myr s VAL 179 N -2.22 5.29 -0.48 0.44 1.01 0.23 -4.88 120.40 119.78 1myr s VAL 179 Ca -0.02 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1myr s VAL 179 Cb 0.02 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1myr s VAL 179 CO 0.17 0.32 0.61 0.29 0.00 0.00 0.00 175.10 176.49 1myr n LYS 180 N 4.18 -0.29 -3.71 2.72 4.76 -1.26 -4.52 118.16 120.04 1myr n LYS 180 Ca -0.12 -0.71 -0.26 0.00 -2.87 0.00 0.00 58.31 54.35 1myr n LYS 180 Cb 0.52 -1.06 -0.17 0.00 -1.84 0.00 0.00 35.03 32.47 1myr n LYS 180 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1myr s TYR 181 N -0.35 0.73 -0.06 2.13 2.02 -1.26 -0.34 117.35 120.22 1myr s TYR 181 Ca 0.04 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1myr s TYR 181 Cb 0.03 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 1myr s TYR 181 CO 0.05 -0.52 -0.10 -1.58 -1.57 0.00 0.00 175.55 171.83 1myr s TRP 182 N 1.96 2.84 -0.07 2.71 0.52 0.05 -1.05 118.94 125.89 1myr s TRP 182 Ca 0.01 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.06 1myr s TRP 182 Cb -0.16 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1myr s TRP 182 CO -0.08 0.25 -0.08 -0.51 0.02 0.00 0.00 176.95 176.56 1myr s LEU 183 N -0.72 3.12 0.00 2.99 2.01 0.90 -1.26 118.68 125.73 1myr s LEU 183 Ca 0.11 -0.06 0.00 0.00 0.01 0.00 0.00 54.13 54.19 1myr s LEU 183 Cb -0.11 -1.68 0.00 0.00 0.01 0.00 0.00 46.19 44.41 1myr s LEU 183 CO 0.01 0.34 0.00 0.35 1.01 0.00 0.00 176.35 178.06 1myr n THR 184 N 2.37 0.00 -4.69 5.49 -2.24 -0.09 -0.02 114.28 115.09 1myr n THR 184 Ca -0.18 0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1myr n THR 184 Cb 0.53 -1.25 -0.16 0.00 -2.10 0.00 0.00 70.33 67.35 1myr n THR 184 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1myr s ILE 185 N -0.79 2.42 0.30 2.28 1.01 -1.26 -0.75 121.20 124.40 1myr s ILE 185 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 1myr s ILE 185 Cb 0.00 -1.99 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 1myr s ILE 185 CO 0.00 0.53 1.41 0.21 0.00 0.00 0.00 174.94 177.09 1myr s ASN 186 N 0.71 6.63 -0.32 3.58 2.47 -0.20 -2.23 114.94 125.59 1myr s ASN 186 Ca -0.08 2.75 -0.23 0.00 0.42 0.00 0.00 52.86 55.72 1myr s ASN 186 Cb -0.16 -2.64 0.03 0.00 -1.45 0.00 0.00 41.25 37.04 1myr s ASN 186 CO 0.01 -0.68 0.43 0.00 -3.72 0.00 0.00 177.10 173.13 1myr n GLN 187 N 1.54 -1.22 -0.33 0.43 6.02 -1.03 -4.80 117.38 117.99 1myr n GLN 187 Ca 0.04 0.87 0.19 0.00 -0.01 0.00 0.00 57.00 58.09 1myr n GLN 187 Cb 0.40 -1.30 0.40 0.00 1.02 0.00 0.00 30.24 30.77 1myr n GLN 187 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1myr h LEU 188 N 1.22 0.42 -1.77 1.08 3.38 -1.55 0.16 115.31 118.25 1myr h LEU 188 Ca -0.38 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1myr h LEU 188 Cb 0.92 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1myr h LEU 188 CO 0.16 -0.08 -0.06 0.22 0.09 0.00 0.00 178.44 178.77 1myr h TYR 189 N 0.36 0.07 0.32 1.13 3.20 -1.87 -3.38 116.97 116.79 1myr h TYR 189 Ca 0.66 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.52 1myr h TYR 189 Cb 1.42 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1myr h TYR 189 CO -0.07 0.13 -0.15 0.77 -1.64 0.00 0.00 178.16 177.20 1myr h SER 190 N 0.07 -0.36 -0.53 -2.11 0.02 -1.26 -2.88 113.55 106.49 1myr h SER 190 Ca 0.02 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1myr h SER 190 Cb 0.15 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1myr h SER 190 CO 0.01 0.05 0.31 0.58 -1.14 0.00 0.00 176.83 176.64 1myr h VAL 191 N -0.84 1.17 -0.42 2.27 2.07 -1.73 0.23 116.25 119.00 1myr h VAL 191 Ca -0.04 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1myr h VAL 191 Cb 0.52 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1myr h VAL 191 CO 0.07 0.17 0.20 -0.65 0.02 0.00 0.00 177.57 177.39 1myr h PRO 192 N 0.71 0.40 0.01 1.57 0.11 -1.75 0.19 132.00 133.25 1myr h PRO 192 Ca 0.19 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1myr h PRO 192 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1myr h PRO 192 CO -0.03 0.27 -0.01 1.79 -0.21 0.00 0.00 178.00 179.81 1myr h THR 193 N 0.41 1.35 0.00 -1.15 1.35 -1.28 -2.94 112.91 110.66 1myr h THR 193 Ca 0.18 -1.93 -0.21 0.00 -0.55 0.00 0.00 66.41 63.90 1myr h THR 193 Cb 0.09 2.52 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 1myr h THR 193 CO -0.13 0.44 -1.07 0.03 -0.25 0.00 0.00 175.52 174.55 1myr h ARG 194 N -0.96 0.00 0.00 4.72 3.08 -0.60 0.22 114.38 120.83 1myr h ARG 194 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1myr h ARG 194 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1myr h ARG 194 CO 0.00 0.87 -1.37 0.78 -1.07 0.00 0.00 179.97 179.18 1myr h GLY 195 N 3.13 0.00 0.00 0.04 0.00 -0.66 0.39 103.07 105.97 1myr h GLY 195 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1myr h GLY 195 CO 0.11 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.93 1myr n TYR 196 N -3.07 0.00 0.01 5.60 4.02 -0.99 -1.36 117.16 121.38 1myr n TYR 196 Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.79 1myr n TYR 196 Cb 0.93 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.25 1myr n TYR 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1myr n GLY 197 N 0.04 -0.04 0.05 2.72 0.00 -0.34 -4.04 105.19 103.58 1myr n GLY 197 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1myr n GLY 197 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1myr n SER 198 N -2.88 0.63 -2.05 1.61 3.41 0.61 -4.59 113.62 110.36 1myr n SER 198 Ca -0.01 -0.03 -0.18 0.00 -0.26 0.00 0.00 58.87 58.39 1myr n SER 198 Cb 0.03 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.64 1myr n SER 198 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1myr n ALA 199 N -1.92 -0.52 0.21 7.33 0.00 -0.05 -4.86 120.51 120.69 1myr n ALA 199 Ca 0.01 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.70 1myr n ALA 199 Cb 0.47 -1.98 0.36 0.00 0.00 0.00 0.00 19.45 18.29 1myr n ALA 199 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1myr h LEU 200 N 0.00 0.00 -9.27 0.00 3.38 -1.42 -3.44 115.31 104.57 1myr h LEU 200 Ca -0.43 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 1myr h LEU 200 Cb 1.31 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1myr h LEU 200 CO 0.52 0.26 -0.74 -1.81 0.09 0.00 0.00 178.44 176.76 1myr s ASP 201 N -6.24 3.68 0.38 -0.43 1.11 -0.57 -4.82 116.67 109.77 1myr s ASP 201 Ca 0.02 -1.02 -0.27 0.00 0.18 0.00 0.00 52.55 51.45 1myr s ASP 201 Cb 0.09 -0.35 -0.11 0.00 1.07 0.00 0.00 42.92 43.63 1myr s ASP 201 CO 0.66 0.00 1.31 0.00 1.18 0.00 0.00 175.17 178.32 1myr n ALA 202 N -0.67 1.45 1.12 5.23 0.00 -1.26 -0.83 120.51 125.56 1myr n ALA 202 Ca -0.05 0.32 0.14 0.00 0.00 0.00 0.00 53.44 53.84 1myr n ALA 202 Cb 0.60 -2.28 0.52 0.00 0.00 0.00 0.00 19.45 18.29 1myr n ALA 202 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1myr n PRO 203 N 0.32 0.19 -1.91 0.00 -0.04 -1.24 -4.35 135.00 127.97 1myr n PRO 203 Ca 0.05 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1myr n PRO 203 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1myr n PRO 203 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1myr n GLY 204 N 1.43 0.85 3.88 0.55 0.00 -0.01 -4.85 105.19 107.04 1myr n GLY 204 Ca 0.09 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1myr n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1myr s ARG 205 N -3.77 3.51 0.08 1.61 0.52 -0.46 -3.98 118.95 116.47 1myr s ARG 205 Ca 0.00 -0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 1myr s ARG 205 Cb 0.00 -3.15 0.09 0.00 0.52 0.00 0.00 34.95 32.41 1myr s ARG 205 CO 0.00 0.73 1.12 0.00 0.02 0.00 0.00 175.30 177.16 1myr s SER 207 N -3.04 5.65 0.30 0.00 0.01 -1.26 -2.96 113.70 112.40 1myr s SER 207 Ca 0.15 2.40 0.07 0.00 1.31 0.00 0.00 55.95 59.88 1myr s SER 207 Cb 0.01 -2.61 0.79 0.00 0.21 0.00 0.00 66.02 64.43 1myr s SER 207 CO -0.00 -1.28 1.73 -0.65 0.41 0.00 0.00 173.24 173.45 1myr h PRO 208 N 1.48 0.55 -0.00 12.44 0.11 -1.82 -0.57 132.00 144.19 1myr h PRO 208 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1myr h PRO 208 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1myr h PRO 208 CO 0.58 0.37 -0.46 0.25 -0.21 0.00 0.00 178.00 178.52 1myr n THR 209 N -4.90 0.00 -0.02 -1.15 -2.24 -1.26 -2.81 114.28 101.89 1myr n THR 209 Ca 0.24 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1myr n THR 209 Cb 0.67 0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 69.00 1myr n THR 209 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1myr h VAL 210 N 0.03 1.39 -1.74 2.28 2.07 -1.37 -3.45 116.25 115.46 1myr h VAL 210 Ca 0.00 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1myr h VAL 210 Cb 0.50 2.14 -0.26 0.00 -1.52 0.00 0.00 31.29 32.15 1myr h VAL 210 CO 0.00 0.33 -0.37 -0.62 0.02 0.00 0.00 177.57 176.93 1myr s ASP 211 N -5.82 -0.44 0.25 0.57 -1.08 -1.09 -5.03 116.67 104.03 1myr s ASP 211 Ca -0.16 0.66 0.20 0.00 -0.52 0.00 0.00 52.55 52.74 1myr s ASP 211 Cb 0.02 1.57 0.96 0.00 -1.46 0.00 0.00 42.92 44.01 1myr s ASP 211 CO 0.70 -0.27 1.62 -2.65 0.52 0.00 0.00 175.17 175.09 1myr n PRO 212 N 5.40 0.15 0.03 4.34 -0.02 -1.12 -1.97 135.00 141.80 1myr n PRO 212 Ca -0.04 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1myr n PRO 212 Cb 0.50 -1.85 0.45 0.00 -0.02 0.00 0.00 33.50 32.58 1myr n PRO 212 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1myr n SER 213 N -2.14 0.37 -4.77 2.55 3.41 -1.26 -4.82 113.62 106.97 1myr n SER 213 Ca 0.01 0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 58.58 1myr n SER 213 Cb 0.13 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1myr n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1myr h TYR 215 N 2.49 0.00 -1.89 0.00 -0.00 -1.88 -3.47 116.97 112.21 1myr h TYR 215 Ca -0.50 0.00 0.28 0.00 -0.00 0.00 0.00 58.73 58.51 1myr h TYR 215 Cb 1.25 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 37.89 1myr h TYR 215 CO 0.52 0.00 0.75 0.00 -0.00 0.00 0.00 178.16 179.43 1myr s ALA 216 N -3.22 -2.09 0.00 0.10 0.00 -1.26 -5.09 121.76 110.20 1myr s ALA 216 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1myr s ALA 216 Cb 0.06 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1myr s ALA 216 CO 0.66 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1myr n GLY 217 N -0.60 0.89 3.15 0.00 0.00 -1.16 -0.99 105.19 106.48 1myr n GLY 217 Ca -0.05 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.02 1myr n GLY 217 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1myr s ASN 218 N -2.97 -1.35 0.54 1.61 3.84 -1.24 -4.22 114.94 111.15 1myr s ASN 218 Ca 0.00 0.47 0.35 0.00 0.21 0.00 0.00 52.86 53.89 1myr s ASN 218 Cb 0.00 1.99 1.60 0.00 -0.55 0.00 0.00 41.25 44.28 1myr s ASN 218 CO 0.00 -0.25 2.04 0.28 -2.79 0.00 0.00 177.10 176.38 1myr h SER 219 N 7.95 0.00 0.62 -4.21 0.02 -1.78 0.10 113.55 116.24 1myr h SER 219 Ca -0.12 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.56 1myr h SER 219 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1myr h SER 219 CO 0.16 0.00 -1.47 -1.28 -1.14 0.00 0.00 176.83 173.10 1myr h SER 220 N 0.00 0.10 0.00 3.07 0.87 -1.86 0.11 113.55 115.85 1myr h SER 220 Ca 0.00 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.24 1myr h SER 220 Cb 0.33 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1myr h SER 220 CO 0.00 1.14 -1.62 0.35 -0.53 0.00 0.00 176.83 176.16 1myr n THR 221 N -3.24 0.63 0.08 2.23 -2.24 -1.02 -4.40 114.28 106.32 1myr n THR 221 Ca -0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1myr n THR 221 Cb 1.02 -0.88 0.31 0.00 -2.10 0.00 0.00 70.33 68.68 1myr n THR 221 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1myr h GLU 222 N 0.00 0.32 -0.41 -0.78 5.08 -1.06 -1.76 114.58 115.98 1myr h GLU 222 Ca -0.24 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1myr h GLU 222 Cb 1.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1myr h GLU 222 CO -0.04 0.50 0.27 -1.35 -1.00 0.00 0.00 179.01 177.40 1myr h PRO 223 N 0.30 0.38 -0.01 2.33 0.11 -1.75 0.10 132.00 133.45 1myr h PRO 223 Ca 0.05 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.90 1myr h PRO 223 Cb 0.49 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1myr h PRO 223 CO 0.03 0.25 -0.96 1.88 -0.21 0.00 0.00 178.00 178.99 1myr h TYR 224 N 0.39 0.82 -0.27 0.65 0.05 -1.63 -0.36 116.97 116.62 1myr h TYR 224 Ca 0.17 -0.44 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 1myr h TYR 224 Cb 0.19 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1myr h TYR 224 CO -0.00 1.26 0.12 0.82 -1.05 0.00 0.00 178.16 179.31 1myr h ILE 225 N 0.32 1.17 -0.40 -2.88 2.04 -0.80 -1.56 117.51 115.40 1myr h ILE 225 Ca -0.10 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1myr h ILE 225 Cb 1.60 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1myr h ILE 225 CO 0.18 0.17 0.01 0.58 0.00 0.00 0.00 178.15 179.09 1myr h VAL 226 N 0.29 1.26 -0.65 1.67 2.07 -0.78 -1.09 116.25 119.02 1myr h VAL 226 Ca 0.09 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1myr h VAL 226 Cb 0.16 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1myr h VAL 226 CO -0.01 0.34 0.41 0.00 0.02 0.00 0.00 177.57 178.32 1myr h ALA 227 N 0.89 0.84 -0.39 1.67 0.00 -1.01 0.15 119.26 121.41 1myr h ALA 227 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1myr h ALA 227 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1myr h ALA 227 CO 0.02 0.17 0.22 1.25 0.00 0.00 0.00 179.25 180.91 1myr h HIS 228 N 0.80 0.53 -0.16 0.00 6.17 -0.96 -0.65 115.15 120.88 1myr h HIS 228 Ca 0.26 -0.01 -0.12 0.00 0.71 0.00 0.00 60.37 61.21 1myr h HIS 228 Cb 0.01 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.75 1myr h HIS 228 CO -0.05 0.39 -0.42 0.45 0.71 0.00 0.00 177.93 179.02 1myr h HIS 229 N 0.51 0.44 0.11 5.26 3.86 -0.81 -0.94 115.15 123.58 1myr h HIS 229 Ca 0.14 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1myr h HIS 229 Cb 0.03 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1myr h HIS 229 CO -0.03 0.73 -0.15 1.96 0.86 0.00 0.00 177.93 181.30 1myr h GLN 230 N 0.31 -0.30 -0.84 2.45 4.20 -0.34 0.23 115.11 120.83 1myr h GLN 230 Ca 0.03 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1myr h GLN 230 Cb 0.87 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 1myr h GLN 230 CO 0.07 -0.20 0.53 -0.07 -0.67 0.00 0.00 178.83 178.49 1myr h LEU 231 N -0.31 0.85 -0.42 1.46 3.38 -0.69 0.14 115.31 119.73 1myr h LEU 231 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1myr h LEU 231 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1myr h LEU 231 CO -0.07 0.57 -0.21 -0.07 0.09 0.00 0.00 178.44 178.75 1myr h LEU 232 N 1.00 0.90 -0.21 1.67 3.38 -0.97 0.54 115.31 121.64 1myr h LEU 232 Ca 0.35 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1myr h LEU 232 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1myr h LEU 232 CO -0.14 1.11 -0.00 0.00 0.09 0.00 0.00 178.44 179.50 1myr h ALA 233 N 0.82 0.28 -0.32 1.53 0.00 -0.32 0.29 119.26 121.54 1myr h ALA 233 Ca 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1myr h ALA 233 Cb 0.77 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1myr h ALA 233 CO 0.06 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.56 1myr h HIS 234 N 0.12 -0.04 -0.14 0.00 -0.00 -0.66 -1.97 115.15 112.48 1myr h HIS 234 Ca 0.06 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 1myr h HIS 234 Cb 0.40 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1myr h HIS 234 CO 0.04 -0.07 -0.32 0.00 -0.00 0.00 0.00 177.93 177.58 1myr h ALA 235 N 1.29 1.21 -0.27 5.26 0.00 -0.48 0.56 119.26 126.82 1myr h ALA 235 Ca 0.16 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1myr h ALA 235 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1myr h ALA 235 CO -0.27 0.52 -0.46 -0.22 0.00 0.00 0.00 179.25 178.83 1myr h LYS 236 N 0.23 0.72 -0.36 0.00 1.63 -0.77 -1.10 116.57 116.92 1myr h LYS 236 Ca 0.03 -0.40 -0.16 0.00 -0.85 0.00 0.00 60.65 59.27 1myr h LYS 236 Cb 0.68 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1myr h LYS 236 CO 0.05 1.02 -0.41 0.28 -3.45 0.00 0.00 179.45 176.94 1myr h VAL 237 N 0.57 1.27 -0.54 2.00 2.07 -0.80 -0.39 116.25 120.44 1myr h VAL 237 Ca 0.03 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 1myr h VAL 237 Cb 1.01 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1myr h VAL 237 CO 0.10 0.53 0.01 0.58 0.02 0.00 0.00 177.57 178.81 1myr h VAL 238 N 0.73 1.26 -0.49 2.57 2.07 -0.64 0.82 116.25 122.57 1myr h VAL 238 Ca 0.05 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1myr h VAL 238 Cb 1.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1myr h VAL 238 CO 0.10 0.39 0.26 -0.78 0.02 0.00 0.00 177.57 177.56 1myr h ASP 239 N 0.82 0.62 -0.48 0.57 3.58 -1.08 0.15 116.42 120.60 1myr h ASP 239 Ca 0.15 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.51 1myr h ASP 239 Cb 0.51 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1myr h ASP 239 CO 0.03 0.55 0.32 0.25 -2.88 0.00 0.00 179.24 177.50 1myr h LEU 240 N 0.65 0.54 -0.13 2.28 5.85 -0.68 0.24 115.31 124.07 1myr h LEU 240 Ca 0.17 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1myr h LEU 240 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1myr h LEU 240 CO -0.03 0.39 0.08 0.22 -0.34 0.00 0.00 178.44 178.77 1myr h TYR 241 N 0.64 0.18 0.00 1.25 3.20 -0.34 0.24 116.97 122.14 1myr h TYR 241 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1myr h TYR 241 Cb -0.07 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1myr h TYR 241 CO -0.04 0.17 -0.02 0.00 -1.64 0.00 0.00 178.16 176.63 1myr h ARG 242 N 0.14 0.00 0.01 1.82 3.08 -0.48 -0.64 114.38 118.31 1myr h ARG 242 Ca 0.05 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.75 1myr h ARG 242 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1myr h ARG 242 CO -0.01 0.02 -2.22 1.63 -1.07 0.00 0.00 179.97 178.32 1myr n LYS 243 N -3.10 0.67 -0.00 0.04 5.02 0.05 -4.17 118.16 116.67 1myr n LYS 243 Ca 0.03 0.09 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 1myr n LYS 243 Cb 0.47 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1myr n LYS 243 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1myr n ASN 244 N -2.91 1.58 -0.75 4.39 3.02 0.82 -4.60 115.26 116.80 1myr n ASN 244 Ca -0.30 -0.34 0.05 0.00 -0.03 0.00 0.00 54.58 53.96 1myr n ASN 244 Cb 1.11 1.28 0.12 0.00 -0.61 0.00 0.00 39.78 41.68 1myr n ASN 244 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1myr n TYR 245 N -1.60 0.00 0.29 3.10 4.01 -0.26 -4.75 117.16 117.94 1myr n TYR 245 Ca -0.00 -0.93 0.15 0.00 -0.16 0.00 0.00 57.90 56.96 1myr n TYR 245 Cb 0.24 -0.18 0.87 0.00 -0.31 0.00 0.00 39.34 39.96 1myr n TYR 245 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1myr h THR 246 N 3.33 0.44 0.00 -0.72 1.03 -1.70 -1.27 112.91 114.02 1myr h THR 246 Ca -0.07 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.07 1myr h THR 246 Cb 1.31 1.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.57 1myr h THR 246 CO 0.03 0.05 -0.00 1.12 -0.01 0.00 0.00 175.52 176.71 1myr h HIS 247 N 0.00 0.00 0.00 0.00 2.07 -1.91 -2.52 115.15 112.79 1myr h HIS 247 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1myr h HIS 247 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1myr h HIS 247 CO 0.00 0.00 0.00 1.96 -3.07 0.00 0.00 177.93 176.82 1myr h GLN 248 N 0.00 0.00 -3.97 5.12 4.20 -1.55 -3.47 115.11 115.44 1myr h GLN 248 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1myr h GLN 248 Cb 0.31 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.15 1myr h GLN 248 CO 0.00 0.00 -0.52 0.41 -0.67 0.00 0.00 178.83 178.05 1myr n GLY 249 N 0.72 -0.32 2.36 3.46 0.00 -0.95 -4.95 105.19 105.50 1myr n GLY 249 Ca 0.04 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1myr n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1myr n GLY 250 N -1.45 2.90 3.14 -0.02 0.00 -1.26 -4.98 105.19 103.52 1myr n GLY 250 Ca -0.08 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.54 1myr n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myr s LYS 251 N -3.39 0.74 0.01 1.61 1.02 0.54 -5.00 119.74 115.28 1myr s LYS 251 Ca 0.18 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 1myr s LYS 251 Cb -0.01 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1myr s LYS 251 CO 0.12 0.08 -0.02 -1.50 -0.92 0.00 0.00 175.35 173.11 1myr s ILE 252 N -2.01 0.08 0.24 2.17 2.07 -1.26 -0.77 121.20 121.72 1myr s ILE 252 Ca -0.00 -0.66 -0.20 0.00 -1.41 0.00 0.00 60.65 58.38 1myr s ILE 252 Cb -0.06 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.37 1myr s ILE 252 CO 0.00 -0.36 0.64 -0.83 -1.91 0.00 0.00 174.94 172.48 1myr s GLY 253 N -1.06 -0.15 0.79 1.50 0.00 -0.39 -0.37 107.32 107.65 1myr s GLY 253 Ca -0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 1myr s GLY 253 CO -0.01 -0.11 1.15 2.56 0.00 0.00 0.00 173.10 176.69 1myr s PRO 254 N -3.89 2.09 -0.15 2.90 0.04 -1.26 -0.91 135.00 133.83 1myr s PRO 254 Ca 0.10 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 1myr s PRO 254 Cb -0.04 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1myr s PRO 254 CO 0.01 -1.49 -0.05 0.99 0.04 0.00 0.00 177.00 176.51 1myr s THR 255 N -3.52 3.83 -0.08 1.26 2.01 -0.95 -1.09 115.64 117.11 1myr s THR 255 Ca 0.61 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 1myr s THR 255 Cb -0.11 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1myr s THR 255 CO 0.49 0.51 0.02 -0.04 -0.69 0.00 0.00 174.62 174.90 1myr s MET 256 N 0.24 3.01 -0.10 4.92 -1.94 0.61 -1.81 119.30 124.23 1myr s MET 256 Ca -0.03 -0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 53.26 1myr s MET 256 Cb -0.14 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 1myr s MET 256 CO 0.03 0.70 0.95 -1.50 -0.01 0.00 0.00 175.02 175.19 1myr s ILE 257 N -0.93 4.84 0.15 2.53 1.10 -1.26 -0.53 121.20 127.09 1myr s ILE 257 Ca 0.15 1.93 0.07 0.00 -0.51 0.00 0.00 60.65 62.28 1myr s ILE 257 Cb -0.11 -4.26 -0.04 0.00 0.15 0.00 0.00 42.46 38.19 1myr s ILE 257 CO 0.04 0.05 -0.04 0.42 -2.11 0.00 0.00 174.94 173.30 1myr s THR 258 N 1.78 3.58 0.04 4.00 -4.23 0.10 -4.90 115.64 116.01 1myr s THR 258 Ca 0.46 -1.38 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1myr s THR 258 Cb -0.18 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1myr s THR 258 CO 0.19 -0.03 0.07 -0.13 -0.54 0.00 0.00 174.62 174.18 1myr s ARG 259 N -2.68 0.57 0.44 3.99 0.52 -1.26 -4.04 118.95 116.49 1myr s ARG 259 Ca 0.25 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1myr s ARG 259 Cb -0.10 0.22 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 1myr s ARG 259 CO 0.17 -0.14 0.64 -0.46 0.02 0.00 0.00 175.30 175.53 1myr s TRP 260 N -2.67 3.17 -0.03 -0.53 -0.00 -1.23 -4.92 118.94 112.73 1myr s TRP 260 Ca -0.04 0.12 0.01 0.00 -0.00 0.00 0.00 56.10 56.19 1myr s TRP 260 Cb -0.01 -2.30 0.01 0.00 -0.00 0.00 0.00 33.47 31.18 1myr s TRP 260 CO -0.05 -0.34 -0.05 -0.06 -0.00 0.00 0.00 176.95 176.44 1myr s PHE 261 N -2.50 0.68 0.19 5.86 0.08 -1.26 -1.65 117.98 119.37 1myr s PHE 261 Ca 0.49 -0.16 0.11 0.00 0.12 0.00 0.00 56.93 57.48 1myr s PHE 261 Cb -0.10 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 1myr s PHE 261 CO 0.37 -0.12 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.64 1myr s LEU 262 N 0.49 2.44 0.21 -0.37 1.43 -0.27 -4.97 118.68 117.64 1myr s LEU 262 Ca -0.06 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 1myr s LEU 262 Cb -0.10 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 1myr s LEU 262 CO 0.00 0.08 1.33 -2.84 0.23 0.00 0.00 176.35 175.15 1myr s PRO 263 N -2.71 4.37 0.36 1.29 0.02 -1.26 -0.46 135.00 136.61 1myr s PRO 263 Ca 0.20 2.10 0.08 0.00 0.02 0.00 0.00 61.00 63.40 1myr s PRO 263 Cb -0.07 -3.18 0.80 0.00 0.02 0.00 0.00 34.50 32.07 1myr s PRO 263 CO 0.09 -0.28 1.90 -0.92 -0.33 0.00 0.00 177.00 177.46 1myr h TYR 264 N 5.32 0.79 -3.26 6.54 3.20 -1.15 -3.35 116.97 125.06 1myr h TYR 264 Ca -0.45 0.02 -0.51 0.00 3.14 0.00 0.00 58.73 60.93 1myr h TYR 264 Cb 1.21 -0.25 -0.40 0.00 1.54 0.00 0.00 36.73 38.83 1myr h TYR 264 CO 0.62 0.33 -0.76 1.21 -1.64 0.00 0.00 178.16 177.92 1myr s ASN 265 N -5.92 2.81 0.00 -2.11 3.84 -1.26 -0.66 114.94 111.64 1myr s ASN 265 Ca -0.10 -0.77 0.09 0.00 0.21 0.00 0.00 52.86 52.29 1myr s ASN 265 Cb 0.21 -0.57 0.42 0.00 -0.55 0.00 0.00 41.25 40.75 1myr s ASN 265 CO 0.78 -0.30 1.28 -0.90 -2.79 0.00 0.00 177.10 175.18 1myr n ASP 266 N 5.06 0.47 -0.11 -4.21 5.68 -1.26 -1.76 116.55 120.42 1myr n ASP 266 Ca -0.09 -1.82 0.01 0.00 -0.50 0.00 0.00 54.79 52.39 1myr n ASP 266 Cb 0.47 -0.05 0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1myr n ASP 266 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1myr n THR 267 N -0.33 0.82 -3.66 2.12 -2.24 -1.26 -4.95 114.28 104.78 1myr n THR 267 Ca 0.07 -0.91 -0.38 0.00 -2.27 0.00 0.00 64.05 60.56 1myr n THR 267 Cb 0.10 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.81 1myr n THR 267 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1myr s ASP 268 N -0.85 5.57 0.47 3.42 2.15 -0.72 -4.98 116.67 121.72 1myr s ASP 268 Ca 0.04 -0.35 0.14 0.00 0.43 0.00 0.00 52.55 52.80 1myr s ASP 268 Cb 0.02 -2.01 1.12 0.00 -0.30 0.00 0.00 42.92 41.74 1myr s ASP 268 CO 0.03 -0.13 2.08 0.08 -0.17 0.00 0.00 175.17 177.05 1myr h ARG 269 N 8.34 0.23 -0.43 4.34 0.11 -1.92 -0.27 114.38 124.78 1myr h ARG 269 Ca -0.34 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.60 1myr h ARG 269 Cb 1.16 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 1myr h ARG 269 CO 0.60 0.15 -0.24 0.45 0.10 0.00 0.00 179.97 181.03 1myr h HIS 270 N 0.24 1.06 -0.32 4.08 3.86 -1.93 0.16 115.15 122.29 1myr h HIS 270 Ca 0.11 -0.27 -0.14 0.00 -1.16 0.00 0.00 60.37 58.91 1myr h HIS 270 Cb 0.16 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1myr h HIS 270 CO -0.00 1.07 -0.38 1.03 0.86 0.00 0.00 177.93 180.52 1myr h SER 271 N 0.74 0.79 -0.41 2.45 0.87 -1.51 -0.96 113.55 115.53 1myr h SER 271 Ca 0.09 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1myr h SER 271 Cb 0.81 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1myr h SER 271 CO 0.07 1.08 0.21 0.40 -0.53 0.00 0.00 176.83 178.06 1myr h ILE 272 N 0.62 1.16 -0.21 2.23 2.04 -0.86 -0.98 117.51 121.51 1myr h ILE 272 Ca 0.06 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1myr h ILE 272 Cb 0.92 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1myr h ILE 272 CO 0.08 0.17 0.08 0.00 0.00 0.00 0.00 178.15 178.48 1myr h ALA 273 N 1.07 0.24 -1.00 1.87 0.00 -0.57 -1.43 119.26 119.43 1myr h ALA 273 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1myr h ALA 273 Cb 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1myr h ALA 273 CO -0.02 -0.34 0.64 0.00 0.00 0.00 0.00 179.25 179.54 1myr h ALA 274 N 1.12 1.44 -0.53 0.00 0.00 -0.88 0.65 119.26 121.06 1myr h ALA 274 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1myr h ALA 274 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1myr h ALA 274 CO -0.08 0.38 0.18 1.15 0.00 0.00 0.00 179.25 180.88 1myr h THR 275 N 1.12 1.23 -0.06 0.00 2.02 -0.61 0.80 112.91 117.41 1myr h THR 275 Ca 0.45 -0.77 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 1myr h THR 275 Cb 0.26 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1myr h THR 275 CO -0.20 0.29 -0.68 -0.33 0.37 0.00 0.00 175.52 174.97 1myr h GLU 276 N 0.73 0.28 -0.82 6.66 4.39 -0.73 -2.37 114.58 122.73 1myr h GLU 276 Ca 0.17 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1myr h GLU 276 Cb 0.26 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1myr h GLU 276 CO -0.01 0.86 0.41 0.00 -1.16 0.00 0.00 179.01 179.11 1myr h ARG 277 N 0.20 1.16 -0.78 2.33 3.08 -0.67 -2.08 114.38 117.61 1myr h ARG 277 Ca -0.02 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1myr h ARG 277 Cb 1.23 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1myr h ARG 277 CO 0.11 0.87 0.30 0.52 -1.07 0.00 0.00 179.97 180.69 1myr h MET 278 N 1.15 1.17 -0.82 0.04 2.86 -0.37 0.16 114.93 119.12 1myr h MET 278 Ca 0.28 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1myr h MET 278 Cb 0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1myr h MET 278 CO -0.04 0.96 0.46 0.87 1.06 0.00 0.00 176.91 180.22 1myr h LYS 279 N 1.14 1.13 -0.24 1.72 1.57 -0.97 0.12 116.57 121.04 1myr h LYS 279 Ca 0.26 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1myr h LYS 279 Cb 0.24 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1myr h LYS 279 CO -0.02 0.82 -0.24 1.96 -0.57 0.00 0.00 179.45 181.40 1myr h GLN 280 N 1.13 0.60 0.00 3.15 1.08 -0.68 -0.21 115.11 120.18 1myr h GLN 280 Ca 0.29 -0.32 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 1myr h GLN 280 Cb 0.01 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1myr h GLN 280 CO -0.05 0.91 -0.55 0.74 -0.95 0.00 0.00 178.83 178.93 1myr h PHE 281 N 0.31 0.00 0.00 2.96 -1.00 -0.52 0.19 116.94 118.87 1myr h PHE 281 Ca 0.04 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.50 1myr h PHE 281 Cb 0.80 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.31 1myr h PHE 281 CO 0.08 0.55 -1.76 0.34 -1.61 0.00 0.00 178.31 175.91 1myr n PHE 282 N -3.52 0.63 -0.11 -0.55 7.35 0.40 -4.16 117.46 117.50 1myr n PHE 282 Ca -0.00 0.27 -0.23 0.00 -0.76 0.00 0.00 57.45 56.73 1myr n PHE 282 Cb 0.64 -1.06 -0.11 0.00 0.35 0.00 0.00 39.48 39.30 1myr n PHE 282 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1myr n LEU 283 N -4.35 1.88 0.17 -2.13 4.77 -0.20 -4.50 117.00 112.64 1myr n LEU 283 Ca -0.41 0.41 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1myr n LEU 283 Cb 0.77 -0.93 0.49 0.00 -2.33 0.00 0.00 43.42 41.42 1myr n LEU 283 CO 0.13 0.30 0.97 1.23 -1.33 0.00 0.00 177.39 178.69 1myr h GLY 284 N -1.00 0.17 -0.44 -0.72 0.00 -0.25 -0.23 103.07 100.59 1myr h GLY 284 Ca -0.41 -0.08 0.31 0.00 0.00 0.00 0.00 47.33 47.15 1myr h GLY 284 CO -0.25 0.08 0.65 -0.25 0.00 0.00 0.00 176.54 176.78 1myr h TRP 285 N 0.15 0.80 0.00 5.60 2.91 -0.83 0.18 115.95 124.76 1myr h TRP 285 Ca 0.04 0.03 -0.33 0.00 1.13 0.00 0.00 58.89 59.76 1myr h TRP 285 Cb 0.21 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 28.58 1myr h TRP 285 CO 0.00 -0.07 -2.24 1.19 -1.03 0.00 0.00 178.44 176.29 1myr n PHE 286 N -4.84 0.00 0.16 2.65 3.72 -0.94 -4.44 117.46 113.77 1myr n PHE 286 Ca 0.30 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.71 1myr n PHE 286 Cb 0.99 -0.84 0.23 0.00 -0.94 0.00 0.00 39.48 38.92 1myr n PHE 286 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1myr h MET 287 N -0.03 0.00 -0.16 -1.08 2.86 -0.81 -0.66 114.93 115.05 1myr h MET 287 Ca -0.49 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1myr h MET 287 Cb 1.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1myr h MET 287 CO -0.08 0.53 0.05 0.78 1.06 0.00 0.00 176.91 179.24 1myr h GLY 288 N 1.90 0.27 0.98 8.32 0.00 -0.86 0.61 103.07 114.29 1myr h GLY 288 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1myr h GLY 288 CO 0.07 0.15 0.19 -2.55 0.00 0.00 0.00 176.54 174.40 1myr h PRO 289 N 0.08 0.81 -0.00 4.80 0.11 -1.12 0.25 132.00 136.92 1myr h PRO 289 Ca 0.05 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1myr h PRO 289 Cb 0.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1myr h PRO 289 CO -0.00 0.72 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.27 1myr h LEU 290 N 0.72 0.01 0.00 2.35 3.38 -0.94 0.19 115.31 121.02 1myr h LEU 290 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1myr h LEU 290 Cb 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1myr h LEU 290 CO -0.01 0.18 -1.44 0.35 0.09 0.00 0.00 178.44 177.61 1myr n THR 291 N -4.33 0.00 0.00 0.22 -2.24 0.19 0.49 114.28 108.61 1myr n THR 291 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1myr n THR 291 Cb 0.24 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1myr n THR 291 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1myr n ASN 292 N -1.85 0.00 -0.02 3.42 5.15 0.86 -4.61 115.26 118.20 1myr n ASN 292 Ca -0.01 -0.03 -0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1myr n ASN 292 Cb 0.38 0.06 -0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1myr n ASN 292 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1myr n GLY 293 N 0.06 0.46 3.08 8.20 0.00 0.66 -4.90 105.19 112.76 1myr n GLY 293 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1myr n GLY 293 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1myr s THR 294 N -1.91 0.14 0.69 2.61 -4.23 -1.23 -4.63 115.64 107.07 1myr s THR 294 Ca 0.00 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1myr s THR 294 Cb 0.00 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.02 1myr s THR 294 CO 0.00 -0.63 1.08 -0.31 -0.54 0.00 0.00 174.62 174.22 1myr s TYR 295 N -2.49 2.85 0.45 3.99 2.02 -1.26 -1.73 117.35 121.17 1myr s TYR 295 Ca -0.06 1.50 -0.24 0.00 -0.37 0.00 0.00 57.07 57.91 1myr s TYR 295 Cb -0.02 -3.01 -0.09 0.00 -0.40 0.00 0.00 41.96 38.44 1myr s TYR 295 CO -0.04 -1.44 1.09 -2.30 -1.57 0.00 0.00 175.55 171.28 1myr n PRO 296 N -2.86 1.46 -0.30 -1.71 -0.02 -1.26 -4.74 135.00 125.57 1myr n PRO 296 Ca 0.09 0.53 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 1myr n PRO 296 Cb 0.53 -2.18 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1myr n PRO 296 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1myr h GLN 297 N 1.53 0.81 -0.12 -0.52 5.75 -1.99 0.33 115.11 120.90 1myr h GLN 297 Ca -0.46 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.96 1myr h GLN 297 Cb 1.33 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 1myr h GLN 297 CO 0.57 0.54 -0.06 0.97 -2.65 0.00 0.00 178.83 178.19 1myr h ILE 298 N 0.84 1.12 -0.09 2.39 6.09 -1.99 0.17 117.51 126.03 1myr h ILE 298 Ca 0.39 -0.50 -0.05 0.00 -1.37 0.00 0.00 64.86 63.32 1myr h ILE 298 Cb 0.32 1.10 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 1myr h ILE 298 CO -0.23 0.16 -0.15 0.24 -3.07 0.00 0.00 178.15 175.10 1myr h MET 299 N 0.17 0.26 -0.58 2.19 2.86 -1.36 -0.56 114.93 117.91 1myr h MET 299 Ca 0.04 -0.16 0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1myr h MET 299 Cb 0.23 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 1myr h MET 299 CO 0.01 0.73 -0.12 0.82 1.06 0.00 0.00 176.91 179.41 1myr h ILE 300 N -0.19 0.44 -0.01 -1.22 2.04 -0.10 0.61 117.51 119.09 1myr h ILE 300 Ca 0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1myr h ILE 300 Cb 0.71 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1myr h ILE 300 CO 0.03 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.63 1myr h ASP 301 N 0.02 0.01 -0.05 1.72 3.32 -0.67 -1.87 116.42 118.89 1myr h ASP 301 Ca 0.28 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1myr h ASP 301 Cb 0.43 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1myr h ASP 301 CO -0.58 0.29 -0.29 0.74 -1.72 0.00 0.00 179.24 177.68 1myr h THR 302 N -0.27 1.45 0.00 0.35 2.02 -0.91 -3.33 112.91 112.22 1myr h THR 302 Ca 0.00 -1.75 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 1myr h THR 302 Cb 0.28 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1myr h THR 302 CO 0.00 0.49 -0.20 0.58 0.37 0.00 0.00 175.52 176.76 1myr h VAL 303 N -0.26 0.35 0.00 3.16 2.07 -1.00 -3.48 116.25 117.10 1myr h VAL 303 Ca -0.02 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1myr h VAL 303 Cb 0.95 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1myr h VAL 303 CO 0.06 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1myr n GLY 304 N 1.14 2.91 0.20 2.17 0.00 -0.70 -1.64 105.19 109.27 1myr n GLY 304 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1myr n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myr h ALA 305 N -0.47 1.00 -0.00 4.61 0.00 -1.92 -1.65 119.26 120.83 1myr h ALA 305 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1myr h ALA 305 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1myr h ALA 305 CO 0.00 0.00 -0.07 0.54 0.00 0.00 0.00 179.25 179.72 1myr n ARG 306 N -2.48 0.19 -3.43 0.00 1.74 -0.65 -4.73 116.66 107.31 1myr n ARG 306 Ca -0.01 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 1myr n ARG 306 Cb 0.10 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1myr n ARG 306 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1myr s LEU 307 N -2.82 4.36 0.75 0.55 2.96 -0.62 -4.74 118.68 119.11 1myr s LEU 307 Ca 0.19 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.80 1myr s LEU 307 Cb 0.19 -2.31 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1myr s LEU 307 CO 0.52 -0.29 1.19 -2.84 -1.32 0.00 0.00 176.35 173.61 1myr s PRO 308 N 1.98 2.08 0.08 0.98 0.02 -1.26 -4.94 135.00 133.94 1myr s PRO 308 Ca 0.11 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.82 1myr s PRO 308 Cb -0.16 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1myr s PRO 308 CO 0.11 -1.86 0.22 0.95 -0.33 0.00 0.00 177.00 176.09 1myr s THR 309 N -2.13 5.34 -0.05 0.99 -4.23 -1.26 -4.99 115.64 109.31 1myr s THR 309 Ca 0.72 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 1myr s THR 309 Cb -0.27 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1myr s THR 309 CO 0.47 0.08 0.39 -0.36 -0.54 0.00 0.00 174.62 174.66 1myr s PHE 310 N -1.57 3.64 1.02 3.99 0.08 -1.26 -5.09 117.98 118.80 1myr s PHE 310 Ca 0.35 0.89 -0.12 0.00 0.12 0.00 0.00 56.93 58.17 1myr s PHE 310 Cb -0.12 -2.33 0.20 0.00 -0.57 0.00 0.00 43.02 40.20 1myr s PHE 310 CO 0.28 0.50 1.08 -1.54 -0.10 0.00 0.00 175.22 175.43 1myr s SER 311 N -0.51 2.31 0.23 1.36 1.04 -1.26 -4.71 113.70 112.16 1myr s SER 311 Ca 0.23 1.42 -0.06 0.00 0.48 0.00 0.00 55.95 58.01 1myr s SER 311 Cb -0.16 -2.11 0.35 0.00 0.10 0.00 0.00 66.02 64.21 1myr s SER 311 CO 0.11 -3.36 1.78 -0.65 0.98 0.00 0.00 173.24 172.11 1myr h PRO 312 N -2.04 0.62 -0.20 4.02 0.11 -1.99 0.14 132.00 132.66 1myr h PRO 312 Ca -0.55 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1myr h PRO 312 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1myr h PRO 312 CO 0.54 0.41 0.11 1.49 -0.21 0.00 0.00 178.00 180.34 1myr h GLU 313 N 0.64 0.28 -0.75 1.05 4.81 -1.99 -1.25 114.58 117.37 1myr h GLU 313 Ca 0.36 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1myr h GLU 313 Cb 0.37 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1myr h GLU 313 CO -0.27 0.27 0.48 0.93 -0.73 0.00 0.00 179.01 179.70 1myr h GLU 314 N 0.21 0.93 -0.57 1.92 5.08 -1.77 -0.57 114.58 119.82 1myr h GLU 314 Ca 0.07 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1myr h GLU 314 Cb 0.07 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1myr h GLU 314 CO -0.01 0.62 0.37 1.15 -1.00 0.00 0.00 179.01 180.14 1myr h THR 315 N 0.96 1.15 -0.50 1.13 2.02 -0.39 -0.67 112.91 116.60 1myr h THR 315 Ca 0.29 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1myr h THR 315 Cb -0.04 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1myr h THR 315 CO -0.09 0.14 -0.08 -1.13 0.37 0.00 0.00 175.52 174.73 1myr h ASN 316 N 0.77 0.89 -0.40 4.18 -0.73 -0.97 0.14 115.58 119.45 1myr h ASN 316 Ca 0.21 -0.27 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 1myr h ASN 316 Cb -0.09 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.24 1myr h ASN 316 CO -0.04 1.00 0.16 0.25 -0.37 0.00 0.00 177.43 178.42 1myr h LEU 317 N 0.82 0.56 0.01 0.34 5.85 -0.39 -3.26 115.31 119.24 1myr h LEU 317 Ca 0.14 -0.17 -0.27 0.00 0.84 0.00 0.00 57.88 58.42 1myr h LEU 317 Cb 0.60 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.50 1myr h LEU 317 CO 0.04 0.58 -1.08 0.58 -0.34 0.00 0.00 178.44 178.21 1myr h VAL 318 N 0.51 1.29 -2.67 1.05 2.07 -1.00 -3.40 116.25 114.10 1myr h VAL 318 Ca 0.13 -2.31 -0.53 0.00 0.82 0.00 0.00 66.70 64.81 1myr h VAL 318 Cb 0.19 2.45 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1myr h VAL 318 CO -0.01 0.71 1.01 -0.75 0.02 0.00 0.00 177.57 178.55 1myr s LYS 319 N -3.25 4.18 -0.04 1.57 2.20 0.47 -1.87 119.74 123.00 1myr s LYS 319 Ca -0.09 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1myr s LYS 319 Cb 0.07 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1myr s LYS 319 CO 0.92 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 1myr n GLY 320 N 4.02 0.47 2.13 5.54 0.00 0.18 -4.92 105.19 112.61 1myr n GLY 320 Ca 0.16 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1myr n GLY 320 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1myr n SER 321 N 0.51 6.44 -3.55 1.61 3.41 -0.78 -4.75 113.62 116.51 1myr n SER 321 Ca -0.00 -2.50 -0.15 0.00 -0.26 0.00 0.00 58.87 55.96 1myr n SER 321 Cb 0.03 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.48 1myr n SER 321 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1myr s TYR 322 N 1.50 -0.58 -0.11 7.33 1.13 -1.26 -4.69 117.35 120.66 1myr s TYR 322 Ca 0.67 1.03 0.16 0.00 -1.41 0.00 0.00 57.07 57.52 1myr s TYR 322 Cb 0.26 0.41 -0.22 0.00 -1.10 0.00 0.00 41.96 41.31 1myr s TYR 322 CO -0.02 -0.51 0.49 -0.25 -2.51 0.00 0.00 175.55 172.75 1myr n ASP 323 N 0.99 0.53 -3.73 -0.18 8.00 0.51 -5.02 116.55 117.65 1myr n ASP 323 Ca -0.16 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 1myr n ASP 323 Cb 0.57 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 1myr n ASP 323 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1myr s PHE 324 N -2.68 0.26 -0.10 1.24 -0.71 -1.22 -4.54 117.98 110.22 1myr s PHE 324 Ca -0.06 -0.67 0.03 0.00 -1.04 0.00 0.00 56.93 55.18 1myr s PHE 324 Cb 0.08 0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 1myr s PHE 324 CO 0.83 -1.16 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.83 1myr s LEU 325 N -3.02 2.26 -0.48 -1.99 1.43 0.15 -4.15 118.68 112.88 1myr s LEU 325 Ca 0.19 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 1myr s LEU 325 Cb -0.03 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1myr s LEU 325 CO 0.10 0.17 0.81 -0.83 0.23 0.00 0.00 176.35 176.83 1myr s GLY 326 N 0.28 1.57 -0.34 -3.19 0.00 -0.25 -1.51 107.32 103.88 1myr s GLY 326 Ca -0.15 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 1myr s GLY 326 CO 0.08 1.82 0.22 1.08 0.00 0.00 0.00 173.10 176.29 1myr s LEU 327 N 3.38 4.49 0.10 0.66 1.43 -0.09 -0.29 118.68 128.36 1myr s LEU 327 Ca 0.29 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1myr s LEU 327 Cb -0.13 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 1myr s LEU 327 CO 0.21 -0.26 0.58 0.20 0.23 0.00 0.00 176.35 177.30 1myr s ASN 328 N 1.67 7.01 -0.08 2.29 -0.87 0.31 -1.51 114.94 123.76 1myr s ASN 328 Ca 0.05 1.24 -0.04 0.00 -1.57 0.00 0.00 52.86 52.54 1myr s ASN 328 Cb -0.18 -2.35 0.04 0.00 -0.02 0.00 0.00 41.25 38.75 1myr s ASN 328 CO 0.09 0.22 0.18 -0.47 -2.57 0.00 0.00 177.10 174.55 1myr s TYR 329 N -1.22 -0.23 0.00 2.20 5.04 -0.54 0.02 117.35 122.63 1myr s TYR 329 Ca 0.32 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1myr s TYR 329 Cb -0.18 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1myr s TYR 329 CO 0.19 -0.19 0.00 0.66 -1.34 0.00 0.00 175.55 174.87 1myr n TYR 330 N 4.24 0.00 -3.87 4.97 4.01 -1.26 -4.20 117.16 121.05 1myr n TYR 330 Ca -0.26 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.40 1myr n TYR 330 Cb 0.52 0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.64 1myr n TYR 330 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1myr s PHE 331 N -1.90 0.04 0.07 -0.72 -0.12 -1.26 -4.67 117.98 109.42 1myr s PHE 331 Ca 0.00 -0.54 0.08 0.00 -0.05 0.00 0.00 56.93 56.42 1myr s PHE 331 Cb 0.00 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1myr s PHE 331 CO 0.00 -1.30 -0.21 0.99 -0.05 0.00 0.00 175.22 174.64 1myr s THR 332 N -3.40 1.74 0.17 -4.49 2.01 -1.26 -3.49 115.64 106.92 1myr s THR 332 Ca 0.15 -1.38 0.09 0.00 0.31 0.00 0.00 61.69 60.86 1myr s THR 332 Cb -0.05 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1myr s THR 332 CO 0.09 0.10 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.83 1myr s GLN 333 N -1.53 1.33 0.30 4.92 -0.21 -0.66 -4.89 119.66 118.92 1myr s GLN 333 Ca 0.08 -1.44 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 1myr s GLN 333 Cb -0.09 -1.44 -0.09 0.00 1.00 0.00 0.00 33.01 32.39 1myr s GLN 333 CO 0.03 0.30 0.74 0.71 -2.12 0.00 0.00 175.29 174.95 1myr s TYR 334 N -2.00 3.46 -0.04 0.91 2.02 0.57 -1.11 117.35 121.16 1myr s TYR 334 Ca 0.17 1.28 0.06 0.00 -0.37 0.00 0.00 57.07 58.21 1myr s TYR 334 Cb -0.06 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1myr s TYR 334 CO 0.07 0.16 -0.21 0.00 -1.57 0.00 0.00 175.55 174.00 1myr s ALA 335 N -1.85 1.82 0.13 3.71 0.00 0.40 -1.02 121.76 124.95 1myr s ALA 335 Ca 0.51 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1myr s ALA 335 Cb -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1myr s ALA 335 CO 0.18 0.38 -0.05 1.14 0.00 0.00 0.00 175.76 177.41 1myr s GLN 336 N -0.24 0.95 0.53 0.00 -2.07 -0.37 -0.65 119.66 117.81 1myr s GLN 336 Ca 0.01 -1.41 -0.21 0.00 -1.82 0.00 0.00 55.36 51.93 1myr s GLN 336 Cb -0.11 -0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 31.47 1myr s GLN 336 CO 0.01 -0.03 1.24 -1.25 -1.32 0.00 0.00 175.29 173.94 1myr s PRO 337 N -3.84 3.31 -0.03 9.60 0.04 -1.26 -0.19 135.00 142.63 1myr s PRO 337 Ca 0.16 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1myr s PRO 337 Cb 0.05 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1myr s PRO 337 CO -0.01 -0.97 0.11 0.45 0.04 0.00 0.00 177.00 176.62 1myr s SER 338 N -1.30 -0.06 0.78 6.66 0.15 -0.31 -4.33 113.70 115.28 1myr s SER 338 Ca 0.71 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 1myr s SER 338 Cb -0.33 0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.27 1myr s SER 338 CO 0.38 -0.14 1.19 -2.84 1.20 0.00 0.00 173.24 173.03 1myr s PRO 339 N -0.42 1.89 -0.60 5.44 0.02 -1.26 -4.03 135.00 136.04 1myr s PRO 339 Ca -0.05 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.69 1myr s PRO 339 Cb -0.03 -1.81 0.15 0.00 0.02 0.00 0.00 34.50 32.83 1myr s PRO 339 CO 0.00 -2.01 0.38 1.21 -0.33 0.00 0.00 177.00 176.25 1myr s ASN 340 N -2.27 4.37 -1.32 2.53 2.47 -1.26 -4.76 114.94 114.69 1myr s ASN 340 Ca 0.72 -3.39 -0.15 0.00 0.42 0.00 0.00 52.86 50.46 1myr s ASN 340 Cb -0.27 -1.53 0.10 0.00 -1.45 0.00 0.00 41.25 38.10 1myr s ASN 340 CO 0.49 -0.16 1.82 -0.81 -3.72 0.00 0.00 177.10 174.72 1myr n PRO 341 N 2.58 3.21 0.31 0.43 -0.04 -1.26 -4.80 135.00 135.43 1myr n PRO 341 Ca 0.14 -3.26 0.16 0.00 -0.04 0.00 0.00 63.50 60.50 1myr n PRO 341 Cb 0.34 -3.26 0.87 0.00 -0.04 0.00 0.00 33.50 31.42 1myr n PRO 341 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1myr h VAL 342 N 4.69 0.00 0.00 0.52 2.07 -1.98 -0.39 116.25 121.16 1myr h VAL 342 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1myr h VAL 342 Cb 0.77 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1myr h VAL 342 CO 1.55 0.00 -1.21 0.59 0.02 0.00 0.00 177.57 178.52 1myr n ASN 343 N -2.83 0.64 -4.77 0.57 3.02 -1.26 -4.86 115.26 105.77 1myr n ASN 343 Ca -0.02 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1myr n ASN 343 Cb 0.27 0.81 -0.02 0.00 -0.61 0.00 0.00 39.78 40.23 1myr n ASN 343 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1myr s ALA 344 N -3.38 3.54 0.41 5.41 0.00 -0.16 -4.87 121.76 122.72 1myr s ALA 344 Ca -0.02 1.36 0.39 0.00 0.00 0.00 0.00 51.96 53.70 1myr s ALA 344 Cb 0.11 -3.53 2.00 0.00 0.00 0.00 0.00 23.12 21.70 1myr s ALA 344 CO 0.81 -0.78 2.20 1.79 0.00 0.00 0.00 175.76 179.79 1myr h THR 345 N 3.09 0.00 -0.59 0.00 1.35 -1.91 -1.77 112.91 113.09 1myr h THR 345 Ca -0.49 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1myr h THR 345 Cb 1.23 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1myr h THR 345 CO 0.67 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.48 1myr n ASN 346 N -3.00 4.49 -4.74 5.36 0.23 -1.26 -4.56 115.26 111.78 1myr n ASN 346 Ca -0.02 -2.46 -0.42 0.00 -0.53 0.00 0.00 54.58 51.16 1myr n ASN 346 Cb 0.14 -0.57 -0.00 0.00 -2.08 0.00 0.00 39.78 37.27 1myr n ASN 346 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1myr n HIS 347 N 0.97 2.64 -4.34 -2.53 -0.00 -0.67 -4.83 115.22 106.46 1myr n HIS 347 Ca 0.24 0.50 -0.22 0.00 0.46 0.00 0.00 57.72 58.70 1myr n HIS 347 Cb 0.86 -2.47 -0.11 0.00 -0.12 0.00 0.00 29.99 28.14 1myr n HIS 347 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1myr s THR 348 N -1.11 1.87 0.37 3.57 -4.23 -1.26 -3.40 115.64 111.44 1myr s THR 348 Ca 0.54 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1myr s THR 348 Cb -0.52 -1.90 0.32 0.00 1.34 0.00 0.00 72.50 71.75 1myr s THR 348 CO 0.63 -0.33 1.88 0.00 -0.54 0.00 0.00 174.62 176.26 1myr h ALA 349 N 3.15 1.86 0.00 3.99 0.00 -0.97 -0.19 119.26 127.10 1myr h ALA 349 Ca -0.42 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1myr h ALA 349 Cb 1.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1myr h ALA 349 CO 0.52 -0.08 -0.01 0.52 0.00 0.00 0.00 179.25 180.20 1myr h MET 350 N 0.66 0.00 0.00 0.00 2.86 -1.95 -1.29 114.93 115.21 1myr h MET 350 Ca 0.42 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1myr h MET 350 Cb 0.69 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1myr h MET 350 CO -0.18 0.01 -0.00 0.52 1.06 0.00 0.00 176.91 178.31 1myr h MET 351 N 0.00 0.00 -0.11 1.72 2.07 -1.41 -3.22 114.93 113.98 1myr h MET 351 Ca -0.00 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1myr h MET 351 Cb 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.90 1myr h MET 351 CO 0.00 0.00 0.09 -0.44 1.07 0.00 0.00 176.91 177.63 1myr h ASP 352 N 0.00 0.00 0.63 1.22 3.32 -1.31 -0.60 116.42 119.68 1myr h ASP 352 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1myr h ASP 352 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1myr h ASP 352 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1myr h ALA 353 N 1.93 1.00 -5.19 3.45 0.00 -1.74 -3.47 119.26 115.24 1myr h ALA 353 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 1myr h ALA 353 Cb 0.22 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.13 1myr h ALA 353 CO -0.00 0.00 -0.60 0.41 0.00 0.00 0.00 179.25 179.06 1myr n GLY 354 N -0.34 -0.33 2.98 0.00 0.00 -0.23 -4.71 105.19 102.55 1myr n GLY 354 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1myr n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myr s ALA 355 N -3.28 0.04 -0.08 4.61 0.00 -1.26 -1.16 121.76 120.63 1myr s ALA 355 Ca 0.45 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1myr s ALA 355 Cb -0.20 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1myr s ALA 355 CO 0.63 -0.14 -0.16 0.21 0.00 0.00 0.00 175.76 176.31 1myr s LYS 356 N -1.18 2.85 -0.11 0.00 2.20 0.74 -4.68 119.74 119.55 1myr s LYS 356 Ca -0.13 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1myr s LYS 356 Cb -0.08 -2.44 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 1myr s LYS 356 CO -0.01 0.43 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.82 1myr s LEU 357 N -0.22 3.03 0.25 5.43 1.43 -1.26 -1.24 118.68 126.10 1myr s LEU 357 Ca 0.00 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1myr s LEU 357 Cb -0.13 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1myr s LEU 357 CO 0.03 0.24 0.20 0.42 0.23 0.00 0.00 176.35 177.48 1myr s THR 358 N -0.09 0.00 -1.12 5.49 -4.23 -0.19 -4.95 115.64 110.55 1myr s THR 358 Ca 0.00 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1myr s THR 358 Cb -0.13 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.44 1myr s THR 358 CO 0.03 0.00 1.10 -1.22 -0.54 0.00 0.00 174.62 173.99 1myr n TYR 359 N -0.40 0.29 -4.57 3.99 4.01 -1.26 -0.32 117.16 118.90 1myr n TYR 359 Ca 0.04 -0.30 -0.23 0.00 -0.16 0.00 0.00 57.90 57.24 1myr n TYR 359 Cb 0.64 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.50 1myr n TYR 359 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1myr s ILE 360 N -0.98 1.07 0.42 -0.72 1.01 -1.26 -0.91 121.20 119.83 1myr s ILE 360 Ca 0.19 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1myr s ILE 360 Cb 0.11 -0.94 0.08 0.00 0.01 0.00 0.00 42.46 41.72 1myr s ILE 360 CO 0.15 0.32 0.58 -0.46 0.00 0.00 0.00 174.94 175.54 1myr n ASN 361 N 3.39 0.93 0.04 3.58 6.94 -0.18 -4.92 115.26 125.05 1myr n ASN 361 Ca -0.19 -1.75 0.04 0.00 -0.02 0.00 0.00 54.58 52.65 1myr n ASN 361 Cb 0.53 -0.36 0.44 0.00 -2.36 0.00 0.00 39.78 38.03 1myr n ASN 361 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1myr h ALA 362 N -0.36 1.70 -0.56 -2.53 0.00 -1.23 -0.97 119.26 115.30 1myr h ALA 362 Ca -0.19 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1myr h ALA 362 Cb 0.75 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1myr h ALA 362 CO 0.22 0.26 0.21 -1.13 0.00 0.00 0.00 179.25 178.81 1myr n SER 363 N -4.45 4.14 -0.01 0.00 3.41 -1.26 -4.92 113.62 110.53 1myr n SER 363 Ca 0.02 -2.91 -0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1myr n SER 363 Cb 0.10 -0.69 -0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1myr n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1myr n GLY 364 N -0.03 0.48 3.68 5.00 0.00 -0.37 -5.03 105.19 108.92 1myr n GLY 364 Ca 0.31 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1myr n GLY 364 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1myr s HIS 365 N -1.96 3.48 0.29 1.61 5.65 -1.26 -4.73 115.29 118.37 1myr s HIS 365 Ca 0.00 1.43 -0.28 0.00 0.25 0.00 0.00 55.06 56.46 1myr s HIS 365 Cb 0.00 -3.09 -0.10 0.00 -1.18 0.00 0.00 32.58 28.21 1myr s HIS 365 CO 0.00 -0.21 0.95 0.71 -0.65 0.00 0.00 174.74 175.54 1myr s TYR 366 N 1.99 3.79 0.18 3.88 1.51 -1.26 -1.01 117.35 126.44 1myr s TYR 366 Ca 0.43 1.83 0.24 0.00 -1.01 0.00 0.00 57.07 58.57 1myr s TYR 366 Cb -0.17 -2.96 0.99 0.00 -0.11 0.00 0.00 41.96 39.70 1myr s TYR 366 CO 0.16 0.27 1.86 0.97 -1.11 0.00 0.00 175.55 177.69 1myr h ILE 367 N 2.82 0.59 -0.21 2.71 2.10 -1.34 -3.47 117.51 120.71 1myr h ILE 367 Ca -0.46 -1.06 0.00 0.00 1.08 0.00 0.00 64.86 64.42 1myr h ILE 367 Cb 1.20 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 1myr h ILE 367 CO 0.66 0.22 0.00 0.61 -1.08 0.00 0.00 178.15 178.56 1myr n GLY 368 N 0.02 0.76 3.74 8.18 0.00 -1.12 -4.75 105.19 112.02 1myr n GLY 368 Ca -0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1myr n GLY 368 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1myr s PRO 369 N 0.52 1.68 0.32 1.61 0.02 -1.23 -4.49 135.00 133.42 1myr s PRO 369 Ca 0.00 0.98 -0.29 0.00 0.02 0.00 0.00 61.00 61.70 1myr s PRO 369 Cb 0.00 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 1myr s PRO 369 CO 0.00 -1.99 1.57 -1.17 -0.33 0.00 0.00 177.00 175.08 1myr s LEU 370 N -6.10 4.34 -0.15 -5.54 2.96 -1.26 -0.47 118.68 112.46 1myr s LEU 370 Ca 0.62 2.98 -0.06 0.00 -0.22 0.00 0.00 54.13 57.46 1myr s LEU 370 Cb -0.18 -3.64 -0.07 0.00 0.50 0.00 0.00 46.19 42.80 1myr s LEU 370 CO 0.57 -0.91 -0.18 0.33 -1.32 0.00 0.00 176.35 174.84 1myr n PHE 371 N 1.70 0.00 -3.71 5.38 7.35 0.76 -4.68 117.46 124.27 1myr n PHE 371 Ca 0.06 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.63 1myr n PHE 371 Cb 0.38 -0.53 -0.13 0.00 0.35 0.00 0.00 39.48 39.55 1myr n PHE 371 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1myr s GLU 372 N -2.27 0.23 0.33 -4.13 2.12 -0.61 -4.42 118.70 109.94 1myr s GLU 372 Ca -0.20 0.63 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 1myr s GLU 372 Cb 0.08 -0.07 -0.10 0.00 0.26 0.00 0.00 34.13 34.29 1myr s GLU 372 CO 0.27 -0.19 0.93 0.45 -0.54 0.00 0.00 175.26 176.17 1myr s SER 373 N 1.56 7.27 -0.15 -1.70 0.15 -1.26 -0.99 113.70 118.58 1myr s SER 373 Ca -0.07 1.78 0.01 0.00 0.70 0.00 0.00 55.95 58.37 1myr s SER 373 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1myr s SER 373 CO -0.09 -0.09 -0.18 -0.62 1.20 0.00 0.00 173.24 173.45 1myr s ASP 374 N -1.69 3.42 0.02 5.45 -1.08 -1.26 -4.94 116.67 116.59 1myr s ASP 374 Ca 0.51 -0.54 -0.29 0.00 -0.52 0.00 0.00 52.55 51.71 1myr s ASP 374 Cb -0.17 -1.51 -0.16 0.00 -1.46 0.00 0.00 42.92 39.61 1myr s ASP 374 CO 0.22 0.07 1.23 1.23 0.52 0.00 0.00 175.17 178.45 1myr h GLY 375 N 7.38 -1.04 1.55 2.66 0.00 -1.98 -3.28 103.07 108.36 1myr h GLY 375 Ca -0.34 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1myr h GLY 375 CO 0.57 -0.38 0.02 0.61 0.00 0.00 0.00 176.54 177.36 1myr n GLY 376 N -0.87 -0.30 3.01 4.60 0.00 -1.26 -4.21 105.19 106.16 1myr n GLY 376 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1myr n GLY 376 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1myr s ASP 377 N -2.59 -0.54 0.56 1.61 -1.08 -1.25 -5.00 116.67 108.39 1myr s ASP 377 Ca 0.00 -0.09 0.32 0.00 -0.52 0.00 0.00 52.55 52.26 1myr s ASP 377 Cb 0.00 1.04 1.47 0.00 -1.46 0.00 0.00 42.92 43.97 1myr s ASP 377 CO 0.00 -0.08 1.85 1.23 0.52 0.00 0.00 175.17 178.69 1myr h GLY 378 N 6.57 0.00 1.13 2.66 0.00 -1.73 0.13 103.07 111.84 1myr h GLY 378 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1myr h GLY 378 CO -0.06 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.34 1myr n SER 379 N -4.05 0.00 -0.63 0.19 3.41 -1.26 -2.26 113.62 109.02 1myr n SER 379 Ca 0.17 -0.79 0.06 0.00 -0.26 0.00 0.00 58.87 58.05 1myr n SER 379 Cb 0.96 -0.06 0.16 0.00 -0.26 0.00 0.00 64.21 65.01 1myr n SER 379 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1myr n SER 380 N -1.06 3.06 -4.75 4.04 2.88 0.47 -4.99 113.62 113.26 1myr n SER 380 Ca 0.22 -2.27 -0.37 0.00 -1.33 0.00 0.00 58.87 55.11 1myr n SER 380 Cb 0.14 -0.29 0.04 0.00 -0.75 0.00 0.00 64.21 63.35 1myr n SER 380 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1myr s ASN 381 N -1.27 5.15 0.01 -3.46 -0.87 -0.96 -4.70 114.94 108.84 1myr s ASN 381 Ca 0.26 2.57 0.01 0.00 -1.57 0.00 0.00 52.86 54.12 1myr s ASN 381 Cb 0.17 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.74 1myr s ASN 381 CO 0.12 -1.64 0.05 -0.63 -2.57 0.00 0.00 177.10 172.44 1myr s ILE 382 N -1.44 4.50 0.08 0.60 1.01 -0.16 -4.85 121.20 120.94 1myr s ILE 382 Ca 0.76 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.96 1myr s ILE 382 Cb -0.35 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1myr s ILE 382 CO 0.40 0.33 -0.18 -0.31 0.00 0.00 0.00 174.94 175.18 1myr s TYR 383 N -1.18 1.54 0.55 3.97 1.51 -1.26 -0.17 117.35 122.32 1myr s TYR 383 Ca 0.22 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1myr s TYR 383 Cb -0.12 -0.87 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1myr s TYR 383 CO 0.13 0.13 0.62 1.52 -1.11 0.00 0.00 175.55 176.85 1myr s TYR 384 N -1.14 1.61 -0.45 2.71 -0.85 0.38 -4.58 117.35 115.03 1myr s TYR 384 Ca 0.03 -0.74 0.07 0.00 -0.52 0.00 0.00 57.07 55.91 1myr s TYR 384 Cb -0.10 -2.11 0.18 0.00 0.38 0.00 0.00 41.96 40.32 1myr s TYR 384 CO 0.03 -0.83 0.64 -0.47 -1.52 0.00 0.00 175.55 173.40 1myr s TYR 385 N -2.68 -1.53 0.28 -3.49 5.04 -1.26 -2.81 117.35 110.90 1myr s TYR 385 Ca 0.51 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1myr s TYR 385 Cb -0.05 0.24 0.60 0.00 0.35 0.00 0.00 41.96 43.11 1myr s TYR 385 CO 0.32 -1.20 1.81 -1.35 -1.34 0.00 0.00 175.55 173.79 1myr h PRO 386 N 6.22 0.84 0.00 4.97 0.11 -1.89 0.73 132.00 142.98 1myr h PRO 386 Ca 0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1myr h PRO 386 Cb 1.14 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1myr h PRO 386 CO 0.08 0.56 -0.00 -0.22 -0.21 0.00 0.00 178.00 178.20 1myr h LYS 387 N 0.86 0.00 -0.88 1.05 3.64 -1.88 -2.43 116.57 116.93 1myr h LYS 387 Ca 0.51 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 60.03 1myr h LYS 387 Cb 0.63 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1myr h LYS 387 CO -0.31 0.00 0.57 0.78 -2.27 0.00 0.00 179.45 178.21 1myr h GLY 388 N 0.05 1.17 1.57 5.01 0.00 -1.27 -0.22 103.07 109.38 1myr h GLY 388 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1myr h GLY 388 CO 0.00 0.09 -0.35 1.19 0.00 0.00 0.00 176.54 177.47 1myr h ILE 389 N 0.68 1.29 0.01 2.60 2.10 -1.59 0.18 117.51 122.77 1myr h ILE 389 Ca 0.44 -1.46 -0.00 0.00 1.08 0.00 0.00 64.86 64.92 1myr h ILE 389 Cb 0.71 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 1myr h ILE 389 CO -0.20 0.46 -0.00 0.22 -1.08 0.00 0.00 178.15 177.55 1myr h TYR 390 N 0.41 -0.01 -0.80 2.19 5.03 -1.27 -1.64 116.97 120.87 1myr h TYR 390 Ca 0.04 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1myr h TYR 390 Cb 0.81 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.05 1myr h TYR 390 CO 0.03 0.18 0.38 0.77 -1.32 0.00 0.00 178.16 178.20 1myr h SER 391 N -0.20 1.04 0.23 -2.11 0.02 -0.80 -0.66 113.55 111.08 1myr h SER 391 Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1myr h SER 391 Cb 0.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1myr h SER 391 CO 0.00 0.88 -0.11 0.58 -1.14 0.00 0.00 176.83 177.04 1myr h VAL 392 N 1.14 0.82 -0.43 2.27 2.07 -0.62 -0.69 116.25 120.81 1myr h VAL 392 Ca 0.27 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1myr h VAL 392 Cb 0.12 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1myr h VAL 392 CO -0.03 0.07 0.26 0.24 0.02 0.00 0.00 177.57 178.12 1myr h MET 393 N -0.47 0.59 -0.55 1.57 2.86 -1.03 0.75 114.93 118.65 1myr h MET 393 Ca -0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1myr h MET 393 Cb 0.35 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1myr h MET 393 CO 0.05 0.43 0.33 0.22 1.06 0.00 0.00 176.91 179.01 1myr h ASP 394 N 0.57 0.55 -0.29 1.22 3.58 -1.10 -1.18 116.42 119.76 1myr h ASP 394 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1myr h ASP 394 Cb 0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1myr h ASP 394 CO -0.03 0.38 0.18 0.22 -2.88 0.00 0.00 179.24 177.12 1myr h TYR 395 N 0.67 0.38 -0.70 0.28 3.20 -0.58 -1.10 116.97 119.12 1myr h TYR 395 Ca 0.22 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1myr h TYR 395 Cb 0.01 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1myr h TYR 395 CO -0.06 0.27 0.45 0.74 -1.64 0.00 0.00 178.16 177.92 1myr h PHE 396 N 0.38 0.86 -0.54 -3.82 -1.00 -0.54 0.21 116.94 112.49 1myr h PHE 396 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1myr h PHE 396 Cb -0.01 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.24 1myr h PHE 396 CO -0.05 0.52 0.30 -0.22 -1.61 0.00 0.00 178.31 177.25 1myr h LYS 397 N 0.91 0.75 -0.01 1.51 3.64 -1.05 -0.11 116.57 122.21 1myr h LYS 397 Ca 0.26 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 1myr h LYS 397 Cb -0.07 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1myr h LYS 397 CO -0.07 0.58 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.29 1myr h ASN 398 N 0.72 0.44 0.66 4.20 2.35 -0.82 -0.79 115.58 122.34 1myr h ASN 398 Ca 0.19 -0.76 -0.25 0.00 -0.55 0.00 0.00 56.30 54.93 1myr h ASN 398 Cb 0.04 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1myr h ASN 398 CO -0.03 1.14 -1.47 0.50 -1.65 0.00 0.00 177.43 175.91 1myr h LYS 399 N -0.22 0.00 -0.56 0.81 1.63 -0.68 -3.41 116.57 114.14 1myr h LYS 399 Ca -0.06 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.33 1myr h LYS 399 Cb 1.21 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.50 1myr h LYS 399 CO 0.10 0.58 -0.76 0.66 -3.45 0.00 0.00 179.45 176.58 1myr n TYR 400 N -3.10 2.06 -2.77 1.91 4.01 -0.06 -4.97 117.16 114.25 1myr n TYR 400 Ca -0.12 -2.04 -0.13 0.00 -0.16 0.00 0.00 57.90 55.45 1myr n TYR 400 Cb 0.99 -0.31 0.03 0.00 -0.31 0.00 0.00 39.34 39.73 1myr n TYR 400 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1myr n TYR 401 N -0.79 -1.23 -3.43 -0.72 4.01 -1.21 -3.85 117.16 109.94 1myr n TYR 401 Ca 0.37 0.35 -0.21 0.00 -0.16 0.00 0.00 57.90 58.24 1myr n TYR 401 Cb 0.90 -3.09 0.06 0.00 -0.31 0.00 0.00 39.34 36.90 1myr n TYR 401 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1myr n ASN 402 N -0.78 -6.15 -4.80 7.72 5.15 -0.31 -4.93 115.26 111.16 1myr n ASN 402 Ca -0.05 -0.81 -0.30 0.00 -0.60 0.00 0.00 54.58 52.81 1myr n ASN 402 Cb 0.56 -4.42 0.08 0.00 -0.53 0.00 0.00 39.78 35.48 1myr n ASN 402 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1myr s PRO 403 N -4.99 2.32 -0.06 1.20 0.04 -1.25 -4.92 135.00 127.34 1myr s PRO 403 Ca 0.44 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.06 1myr s PRO 403 Cb -0.10 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1myr s PRO 403 CO 0.79 -1.50 0.77 -1.17 0.04 0.00 0.00 177.00 175.93 1myr s LEU 404 N -5.76 4.32 0.03 -3.56 2.96 -1.26 -4.20 118.68 111.21 1myr s LEU 404 Ca 0.60 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.87 1myr s LEU 404 Cb -0.15 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.32 1myr s LEU 404 CO 0.55 -0.17 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.57 1myr s ILE 405 N 0.96 1.68 -0.07 6.68 1.01 0.31 -0.67 121.20 131.09 1myr s ILE 405 Ca 0.41 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1myr s ILE 405 Cb -0.18 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1myr s ILE 405 CO 0.20 0.26 -0.16 -0.31 0.00 0.00 0.00 174.94 174.92 1myr s TYR 406 N -0.75 1.78 -0.56 3.97 1.51 -0.57 -0.62 117.35 122.11 1myr s TYR 406 Ca 0.08 -0.67 -0.28 0.00 -1.01 0.00 0.00 57.07 55.19 1myr s TYR 406 Cb -0.09 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1myr s TYR 406 CO 0.01 -0.30 1.32 0.08 -1.11 0.00 0.00 175.55 175.56 1myr s VAL 407 N 0.49 3.88 -0.99 0.71 1.01 -0.23 -0.92 120.40 124.36 1myr s VAL 407 Ca -0.14 0.78 0.25 0.00 0.00 0.00 0.00 61.98 62.86 1myr s VAL 407 Cb -0.16 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 1myr s VAL 407 CO 0.05 -1.22 1.37 0.35 0.00 0.00 0.00 175.10 175.65 1myr n THR 408 N 6.79 0.01 -3.62 3.92 -2.24 -0.57 -0.19 114.28 118.39 1myr n THR 408 Ca 0.11 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1myr n THR 408 Cb 0.49 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1myr n THR 408 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1myr s GLU 409 N -3.01 0.88 -0.30 -0.78 2.02 -1.17 -4.73 118.70 111.60 1myr s GLU 409 Ca 0.11 0.28 -0.16 0.00 0.02 0.00 0.00 54.97 55.22 1myr s GLU 409 Cb 0.17 0.41 0.17 0.00 0.10 0.00 0.00 34.13 34.98 1myr s GLU 409 CO 0.71 -0.23 1.06 1.21 0.02 0.00 0.00 175.26 178.03 1myr s ASN 410 N -0.87 -0.43 -0.04 -0.19 3.84 -1.21 -1.47 114.94 114.58 1myr s ASN 410 Ca -0.09 0.61 -0.14 0.00 0.21 0.00 0.00 52.86 53.45 1myr s ASN 410 Cb -0.02 1.40 0.05 0.00 -0.55 0.00 0.00 41.25 42.13 1myr s ASN 410 CO 0.06 -0.09 0.64 0.61 -2.79 0.00 0.00 177.10 175.54 1myr n GLY 411 N 4.46 0.27 3.30 1.21 0.00 -1.26 -0.59 105.19 112.58 1myr n GLY 411 Ca -0.11 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1myr n GLY 411 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1myr s ILE 412 N -2.01 0.05 0.33 -0.61 2.07 -1.26 -4.94 121.20 114.82 1myr s ILE 412 Ca 0.15 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1myr s ILE 412 Cb -0.00 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1myr s ILE 412 CO -0.01 -0.22 0.56 -0.94 -1.91 0.00 0.00 174.94 172.42 1myr s SER 413 N -1.47 6.35 0.08 4.50 1.04 -1.26 -4.55 113.70 118.40 1myr s SER 413 Ca -0.11 0.58 0.07 0.00 0.48 0.00 0.00 55.95 56.97 1myr s SER 413 Cb -0.03 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 1myr s SER 413 CO 0.04 -0.27 -0.19 0.42 0.98 0.00 0.00 173.24 174.21 1myr s THR 414 N -2.25 1.56 0.36 2.02 -4.23 0.18 -4.91 115.64 108.38 1myr s THR 414 Ca 0.42 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 59.24 1myr s THR 414 Cb -0.10 -1.42 -0.12 0.00 1.34 0.00 0.00 72.50 72.20 1myr s THR 414 CO 0.34 -0.05 1.18 -2.65 -0.54 0.00 0.00 174.62 172.91 1myr n PRO 415 N 1.28 1.81 0.15 3.99 -0.02 -1.26 -0.42 135.00 140.53 1myr n PRO 415 Ca -0.19 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1myr n PRO 415 Cb 0.54 -2.20 0.51 0.00 -0.02 0.00 0.00 33.50 32.33 1myr n PRO 415 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1myr h GLY 416 N 2.18 0.00 0.99 -1.23 0.00 -0.22 -3.19 103.07 101.59 1myr h GLY 416 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1myr h GLY 416 CO 0.61 0.00 0.15 1.76 0.00 0.00 0.00 176.54 179.06 1myr h SER 417 N 0.00 0.80 -2.51 0.19 0.02 -1.90 -3.45 113.55 106.70 1myr h SER 417 Ca 0.00 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 60.14 1myr h SER 417 Cb 0.41 -0.21 0.17 0.00 0.14 0.00 0.00 62.40 62.91 1myr h SER 417 CO 0.00 0.80 -0.67 -0.62 -1.14 0.00 0.00 176.83 175.20 1myr n GLU 418 N -4.44 0.32 -2.29 3.45 1.02 -1.21 -5.00 120.64 112.49 1myr n GLU 418 Ca 0.02 0.13 -0.27 0.00 -0.02 0.00 0.00 57.16 57.02 1myr n GLU 418 Cb 0.21 -1.41 0.16 0.00 -0.02 0.00 0.00 31.44 30.38 1myr n GLU 418 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1myr s ASN 419 N -1.08 3.50 0.13 1.62 2.20 -1.26 -4.78 114.94 115.27 1myr s ASN 419 Ca 0.64 -0.18 -0.21 0.00 -0.94 0.00 0.00 52.86 52.16 1myr s ASN 419 Cb -0.49 0.08 -0.03 0.00 -2.00 0.00 0.00 41.25 38.81 1myr s ASN 419 CO 0.59 -2.45 1.69 -0.09 -2.94 0.00 0.00 177.10 173.90 1myr h ARG 420 N -1.18 -0.07 -0.45 3.55 2.43 -1.98 0.10 114.38 116.78 1myr h ARG 420 Ca -0.39 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 1myr h ARG 420 Cb 1.24 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1myr h ARG 420 CO 0.34 -0.05 0.02 0.87 -1.51 0.00 0.00 179.97 179.65 1myr h LYS 421 N -0.07 0.73 -0.39 0.20 1.57 -1.99 -0.03 116.57 116.59 1myr h LYS 421 Ca 0.09 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1myr h LYS 421 Cb 0.20 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1myr h LYS 421 CO -0.20 0.73 -0.32 0.93 -0.57 0.00 0.00 179.45 180.02 1myr h GLU 422 N 0.69 0.91 -0.94 3.15 5.08 -1.84 -2.49 114.58 119.13 1myr h GLU 422 Ca 0.14 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1myr h GLU 422 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1myr h GLU 422 CO 0.01 1.10 0.60 0.77 -1.00 0.00 0.00 179.01 180.49 1myr h SER 423 N 0.72 1.11 0.14 1.42 0.02 -0.26 -2.22 113.55 114.48 1myr h SER 423 Ca 0.07 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1myr h SER 423 Cb 0.90 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1myr h SER 423 CO 0.08 0.83 -0.25 0.24 -1.14 0.00 0.00 176.83 176.59 1myr h MET 424 N 1.29 0.21 -2.84 3.45 2.86 -0.83 -3.31 114.93 115.75 1myr h MET 424 Ca 0.34 -0.07 -0.75 0.00 -2.06 0.00 0.00 59.70 57.17 1myr h MET 424 Cb -0.10 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.41 1myr h MET 424 CO -0.07 0.45 2.29 1.28 1.06 0.00 0.00 176.91 181.93 1myr n LEU 425 N -4.17 7.68 -3.58 1.22 4.77 -0.83 -0.76 117.00 121.33 1myr n LEU 425 Ca -0.01 -4.84 -0.41 0.00 -0.03 0.00 0.00 56.01 50.72 1myr n LEU 425 Cb 0.36 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1myr n LEU 425 CO 0.39 1.89 2.05 -0.90 -1.33 0.00 0.00 177.39 179.49 1myr n ASP 426 N 2.23 7.54 0.26 -1.43 5.75 -1.25 -4.69 116.55 124.97 1myr n ASP 426 Ca 0.56 -3.30 0.08 0.00 -0.01 0.00 0.00 54.79 52.12 1myr n ASP 426 Cb 0.28 -1.31 0.64 0.00 -1.03 0.00 0.00 41.12 39.69 1myr n ASP 426 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1myr h TYR 427 N 4.63 0.00 0.00 2.11 0.05 -1.92 0.57 116.97 122.41 1myr h TYR 427 Ca 0.61 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.36 1myr h TYR 427 Cb 0.35 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1myr h TYR 427 CO 1.48 0.01 -0.14 1.79 -1.05 0.00 0.00 178.16 180.24 1myr h THR 428 N 0.00 0.86 0.15 -2.88 1.35 -2.00 -1.26 112.91 109.13 1myr h THR 428 Ca -0.00 -0.54 -0.30 0.00 -0.55 0.00 0.00 66.41 65.02 1myr h THR 428 Cb 0.01 1.31 0.03 0.00 -1.73 0.00 0.00 68.15 67.77 1myr h THR 428 CO 0.00 0.14 -1.29 -0.09 -0.25 0.00 0.00 175.52 174.03 1myr h ARG 429 N 0.00 0.52 -0.53 4.72 2.43 -1.26 -1.78 114.38 118.48 1myr h ARG 429 Ca -0.00 -0.76 0.04 0.00 -0.81 0.00 0.00 59.98 58.45 1myr h ARG 429 Cb 0.30 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1myr h ARG 429 CO 0.02 1.34 0.27 0.82 -1.51 0.00 0.00 179.97 180.92 1myr h ILE 430 N 0.20 0.96 -0.55 1.20 2.04 -1.22 0.09 117.51 120.23 1myr h ILE 430 Ca -0.19 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1myr h ILE 430 Cb 1.97 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1myr h ILE 430 CO 0.24 0.10 0.24 0.44 0.00 0.00 0.00 178.15 179.16 1myr h ASP 431 N 0.53 0.74 0.01 1.72 3.32 -1.20 0.60 116.42 122.14 1myr h ASP 431 Ca 0.23 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1myr h ASP 431 Cb 0.13 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1myr h ASP 431 CO -0.16 0.69 -0.00 0.22 -1.72 0.00 0.00 179.24 178.27 1myr h TYR 432 N 0.75 -0.01 -0.19 4.55 5.03 -1.10 -1.14 116.97 124.85 1myr h TYR 432 Ca 0.19 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1myr h TYR 432 Cb 0.16 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1myr h TYR 432 CO 0.00 0.23 0.05 -0.07 -1.32 0.00 0.00 178.16 177.05 1myr h LEU 433 N -0.25 0.30 -0.68 2.82 3.38 -0.73 -2.56 115.31 117.59 1myr h LEU 433 Ca -0.00 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1myr h LEU 433 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1myr h LEU 433 CO 0.00 0.45 -0.42 0.00 0.09 0.00 0.00 178.44 178.56 1myr h SER 435 N 0.43 0.55 -0.19 0.00 4.64 -1.11 0.10 113.55 117.97 1myr h SER 435 Ca 0.03 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 1myr h SER 435 Cb 0.92 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1myr h SER 435 CO 0.08 0.71 -0.62 0.45 -0.87 0.00 0.00 176.83 176.57 1myr h HIS 436 N 0.52 0.99 -0.67 4.77 -0.00 -1.25 -2.88 115.15 116.64 1myr h HIS 436 Ca 0.09 -0.41 -0.03 0.00 -0.00 0.00 0.00 60.37 60.03 1myr h HIS 436 Cb 0.52 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 1myr h HIS 436 CO 0.02 1.22 0.29 -0.07 -0.00 0.00 0.00 177.93 179.39 1myr h LEU 437 N 0.48 0.87 0.37 2.43 3.38 -0.69 0.24 115.31 122.40 1myr h LEU 437 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1myr h LEU 437 Cb 1.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1myr h LEU 437 CO 0.13 0.76 -0.23 0.00 0.09 0.00 0.00 178.44 179.19 1myr h PHE 439 N -0.58 0.72 0.18 0.00 0.04 -1.24 -0.71 116.94 115.35 1myr h PHE 439 Ca -0.04 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1myr h PHE 439 Cb 0.48 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1myr h PHE 439 CO -0.10 0.59 -0.09 1.25 -0.60 0.00 0.00 178.31 179.37 1myr h LEU 440 N 0.70 -0.20 -0.85 1.54 5.85 -0.14 -0.17 115.31 122.03 1myr h LEU 440 Ca 0.16 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1myr h LEU 440 Cb 0.20 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1myr h LEU 440 CO -0.01 -0.09 0.48 -1.13 -0.34 0.00 0.00 178.44 177.35 1myr h ASN 441 N -0.30 0.66 -0.80 1.25 -1.24 -0.48 -1.69 115.58 112.98 1myr h ASN 441 Ca -0.02 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 1myr h ASN 441 Cb 0.23 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.19 1myr h ASN 441 CO 0.04 0.35 0.39 0.50 -1.29 0.00 0.00 177.43 177.41 1myr h LYS 442 N 0.76 1.15 0.02 6.67 3.64 -0.85 -0.72 116.57 127.24 1myr h LYS 442 Ca 0.43 -0.17 -0.21 0.00 -1.27 0.00 0.00 60.65 59.43 1myr h LYS 442 Cb 0.47 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1myr h LYS 442 CO -0.28 0.89 -0.94 -0.24 -2.27 0.00 0.00 179.45 176.60 1myr h VAL 443 N 1.14 1.53 -0.41 2.00 3.04 -0.68 0.11 116.25 122.98 1myr h VAL 443 Ca 0.28 -2.81 -0.04 0.00 -1.01 0.00 0.00 66.70 63.12 1myr h VAL 443 Cb 0.12 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.97 1myr h VAL 443 CO -0.04 0.82 0.10 0.40 -1.01 0.00 0.00 177.57 177.84 1myr h ILE 444 N 0.08 1.23 -0.18 3.17 2.04 -0.91 0.38 117.51 123.33 1myr h ILE 444 Ca -0.05 -0.79 -0.20 0.00 1.00 0.00 0.00 64.86 64.82 1myr h ILE 444 Cb 1.61 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1myr h ILE 444 CO 0.14 0.27 -0.70 0.11 0.00 0.00 0.00 178.15 177.98 1myr h LYS 445 N 0.52 0.73 0.07 2.37 1.57 -1.02 -0.84 116.57 119.97 1myr h LYS 445 Ca 0.13 -0.55 -0.31 0.00 -1.87 0.00 0.00 60.65 58.04 1myr h LYS 445 Cb 0.31 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1myr h LYS 445 CO 0.00 1.17 -1.72 0.93 -0.57 0.00 0.00 179.45 179.26 1myr h GLU 446 N 0.52 0.14 -0.01 3.15 5.08 -0.78 -3.37 114.58 119.32 1myr h GLU 446 Ca -0.03 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1myr h GLU 446 Cb 1.31 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1myr h GLU 446 CO 0.14 0.89 -0.22 1.63 -1.00 0.00 0.00 179.01 180.44 1myr n LYS 447 N -3.29 1.99 -3.02 2.33 4.76 0.11 -5.01 118.16 116.02 1myr n LYS 447 Ca -0.20 -0.65 -0.23 0.00 -2.87 0.00 0.00 58.31 54.36 1myr n LYS 447 Cb 1.04 -1.11 0.03 0.00 -1.84 0.00 0.00 35.03 33.15 1myr n LYS 447 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1myr n ASP 448 N -0.22 -6.10 -4.76 4.39 2.03 -0.32 -4.95 116.55 106.62 1myr n ASP 448 Ca 0.05 -0.29 -0.41 0.00 0.52 0.00 0.00 54.79 54.66 1myr n ASP 448 Cb 0.23 -4.93 -0.03 0.00 -0.72 0.00 0.00 41.12 35.67 1myr n ASP 448 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1myr s VAL 449 N -3.18 2.96 -1.37 5.18 1.01 -1.24 -4.91 120.40 118.85 1myr s VAL 449 Ca 0.30 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 1myr s VAL 449 Cb -0.14 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.74 1myr s VAL 449 CO 0.38 0.22 2.17 -3.20 0.00 0.00 0.00 175.10 174.67 1myr n ASN 450 N 1.04 5.69 -4.67 3.32 5.15 -1.26 -4.66 115.26 119.87 1myr n ASN 450 Ca 0.00 -2.99 -0.38 0.00 -0.60 0.00 0.00 54.58 50.61 1myr n ASN 450 Cb 0.43 -1.51 -0.07 0.00 -0.53 0.00 0.00 39.78 38.09 1myr n ASN 450 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1myr s VAL 451 N 1.00 5.17 -0.35 3.44 1.01 -1.26 -0.53 120.40 128.88 1myr s VAL 451 Ca 0.47 0.80 0.03 0.00 0.00 0.00 0.00 61.98 63.29 1myr s VAL 451 Cb 0.13 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1myr s VAL 451 CO -0.04 0.23 0.94 0.29 0.00 0.00 0.00 175.10 176.52 1myr n LYS 452 N 4.51 1.91 -3.68 2.72 5.02 0.20 -4.95 118.16 123.88 1myr n LYS 452 Ca -0.07 -1.39 -0.01 0.00 -2.02 0.00 0.00 58.31 54.82 1myr n LYS 452 Cb 0.51 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1myr n LYS 452 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1myr s GLY 453 N -0.79 -0.33 -0.14 0.72 0.00 -1.26 -1.74 107.32 103.79 1myr s GLY 453 Ca 0.06 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.16 1myr s GLY 453 CO 0.05 0.07 0.31 -0.47 0.00 0.00 0.00 173.10 173.06 1myr s TYR 454 N -2.83 -0.47 -0.27 1.90 5.04 0.40 -1.07 117.35 120.06 1myr s TYR 454 Ca 0.13 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1myr s TYR 454 Cb 0.02 0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.52 1myr s TYR 454 CO -0.01 -0.31 0.02 -0.51 -1.34 0.00 0.00 175.55 173.39 1myr s LEU 455 N 1.67 2.66 0.33 6.97 1.43 0.73 -0.98 118.68 131.48 1myr s LEU 455 Ca -0.06 -1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 51.33 1myr s LEU 455 Cb -0.10 -1.09 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 1myr s LEU 455 CO -0.10 -0.32 1.25 0.00 0.23 0.00 0.00 176.35 177.41 1myr s ALA 456 N 1.43 3.44 -0.15 4.21 0.00 -0.31 -3.06 121.76 127.31 1myr s ALA 456 Ca 0.02 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 1myr s ALA 456 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1myr s ALA 456 CO -0.12 -0.53 0.51 -0.46 0.00 0.00 0.00 175.76 175.16 1myr s TRP 457 N -1.17 3.45 0.26 0.00 -0.11 0.24 -0.85 118.94 120.75 1myr s TRP 457 Ca 0.49 0.86 0.04 0.00 1.22 0.00 0.00 56.10 58.71 1myr s TRP 457 Cb -0.37 -2.62 -0.05 0.00 -1.50 0.00 0.00 33.47 28.92 1myr s TRP 457 CO 0.49 0.04 -0.00 0.00 -4.62 0.00 0.00 176.95 172.85 1myr s ALA 458 N 1.11 2.01 0.23 5.86 0.00 -0.83 -4.12 121.76 126.01 1myr s ALA 458 Ca 0.26 -1.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.30 1myr s ALA 458 Cb -0.15 0.47 0.26 0.00 0.00 0.00 0.00 23.12 23.70 1myr s ALA 458 CO 0.10 -0.23 1.85 1.25 0.00 0.00 0.00 175.76 178.73 1myr h LEU 459 N 2.37 0.79 -8.30 0.00 6.46 -1.55 -0.46 115.31 114.62 1myr h LEU 459 Ca -0.39 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.29 1myr h LEU 459 Cb 1.23 -0.16 -0.10 0.00 -0.73 0.00 0.00 40.66 40.90 1myr h LEU 459 CO 0.66 0.52 -0.18 -0.83 -0.62 0.00 0.00 178.44 177.99 1myr s GLY 460 N -3.06 0.70 0.49 3.75 0.00 -1.26 -2.33 107.32 105.61 1myr s GLY 460 Ca -0.13 -1.01 -0.23 0.00 0.00 0.00 0.00 44.72 43.35 1myr s GLY 460 CO 0.78 -0.74 1.27 0.99 0.00 0.00 0.00 173.10 175.40 1myr s ASP 461 N -3.05 5.77 0.27 1.64 1.01 -0.93 -3.74 116.67 117.64 1myr s ASP 461 Ca 0.25 2.57 -0.06 0.00 0.71 0.00 0.00 52.55 56.02 1myr s ASP 461 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1myr s ASP 461 CO 0.10 -1.21 0.46 -0.46 0.21 0.00 0.00 175.17 174.27 1myr n ASN 462 N -0.65 -1.31 -4.68 0.27 0.23 -1.26 -4.75 115.26 103.10 1myr n ASN 462 Ca 0.08 -2.26 -0.42 0.00 -0.53 0.00 0.00 54.58 51.45 1myr n ASN 462 Cb 0.46 2.29 -0.03 0.00 -2.08 0.00 0.00 39.78 40.42 1myr n ASN 462 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1myr s TYR 463 N -3.82 3.20 -0.19 -2.53 5.04 -0.89 -4.74 117.35 113.42 1myr s TYR 463 Ca 0.16 1.24 -0.13 0.00 -2.44 0.00 0.00 57.07 55.90 1myr s TYR 463 Cb -0.02 -3.40 -0.05 0.00 0.35 0.00 0.00 41.96 38.84 1myr s TYR 463 CO 0.12 -1.22 0.28 -2.00 -1.34 0.00 0.00 175.55 171.39 1myr s GLU 464 N 2.30 4.19 0.11 4.97 2.56 -0.40 -4.65 118.70 127.78 1myr s GLU 464 Ca 0.55 0.02 -0.35 0.00 0.00 0.00 0.00 54.97 55.19 1myr s GLU 464 Cb -0.24 -3.48 -0.15 0.00 2.00 0.00 0.00 34.13 32.26 1myr s GLU 464 CO 0.21 0.13 1.50 1.19 -0.56 0.00 0.00 175.26 177.73 1myr n PHE 465 N 3.97 1.97 0.00 5.30 3.72 -1.26 -0.65 117.46 130.51 1myr n PHE 465 Ca -0.12 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1myr n PHE 465 Cb 0.52 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 1myr n PHE 465 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1myr n ASN 466 N 3.24 0.00 -0.21 4.37 4.13 -1.19 -4.70 115.26 120.90 1myr n ASN 466 Ca 0.18 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.48 1myr n ASN 466 Cb 0.25 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1myr n ASN 466 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1myr n ASN 467 N 0.17 1.17 0.00 6.41 3.02 0.17 -3.47 115.26 122.74 1myr n ASN 467 Ca 0.00 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1myr n ASN 467 Cb 0.00 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1myr n ASN 467 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1myr n GLY 468 N 0.76 3.62 1.10 7.41 0.00 -0.54 -1.32 105.19 116.23 1myr n GLY 468 Ca 0.04 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1myr n GLY 468 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1myr n PHE 469 N 14.00 1.19 0.79 1.61 3.72 -1.26 -1.28 117.46 136.23 1myr n PHE 469 Ca 0.00 -0.92 0.13 0.00 -0.05 0.00 0.00 57.45 56.61 1myr n PHE 469 Cb 0.00 -0.37 0.51 0.00 -0.94 0.00 0.00 39.48 38.68 1myr n PHE 469 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1myr n THR 470 N -0.38 0.33 -4.28 4.37 -2.24 -0.43 -4.52 114.28 107.13 1myr n THR 470 Ca 0.24 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1myr n THR 470 Cb 0.97 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1myr n THR 470 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1myr s VAL 471 N -3.06 1.14 -0.05 2.28 -7.23 -1.26 0.46 120.40 112.69 1myr s VAL 471 Ca 0.12 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1myr s VAL 471 Cb 0.15 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 1myr s VAL 471 CO 0.53 -0.59 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.45 1myr s ARG 472 N -3.79 1.73 0.00 4.82 0.52 0.45 -4.71 118.95 117.97 1myr s ARG 472 Ca 0.21 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1myr s ARG 472 Cb 0.04 -1.49 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1myr s ARG 472 CO 0.04 0.21 0.49 1.19 0.02 0.00 0.00 175.30 177.24 1myr n PHE 473 N 3.24 0.00 -2.45 -0.53 3.72 -1.26 -0.65 117.46 119.54 1myr n PHE 473 Ca -0.19 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.86 1myr n PHE 473 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 1myr n PHE 473 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1myr s GLY 474 N -0.69 2.62 0.07 1.37 0.00 -1.25 -1.97 107.32 107.46 1myr s GLY 474 Ca 0.04 0.72 0.27 0.00 0.00 0.00 0.00 44.72 45.75 1myr s GLY 474 CO 0.09 1.09 1.79 1.04 0.00 0.00 0.00 173.10 177.10 1myr n LEU 475 N -0.78 0.33 -4.15 0.66 4.32 -0.18 -4.78 117.00 112.41 1myr n LEU 475 Ca 0.09 0.44 -0.23 0.00 -0.02 0.00 0.00 56.01 56.29 1myr n LEU 475 Cb 0.51 -0.40 -0.15 0.00 -1.62 0.00 0.00 43.42 41.76 1myr n LEU 475 CO 0.42 -0.04 -0.48 -0.94 -1.22 0.00 0.00 177.39 175.13 1myr s SER 476 N -3.50 1.85 0.04 -1.43 1.04 -0.98 -0.85 113.70 109.87 1myr s SER 476 Ca 0.12 -0.34 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 1myr s SER 476 Cb 0.17 -0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.04 1myr s SER 476 CO 0.58 0.16 0.55 -0.47 0.98 0.00 0.00 173.24 175.04 1myr s TYR 477 N -0.51 3.76 -0.10 5.02 5.04 0.19 -2.20 117.35 128.56 1myr s TYR 477 Ca 0.05 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1myr s TYR 477 Cb -0.07 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.76 1myr s TYR 477 CO 0.00 0.54 -0.14 0.42 -1.34 0.00 0.00 175.55 175.02 1myr s ILE 478 N -0.87 1.40 -0.29 3.14 1.01 -1.26 -1.55 121.20 122.78 1myr s ILE 478 Ca 0.29 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 1myr s ILE 478 Cb -0.19 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1myr s ILE 478 CO 0.18 0.42 0.83 0.21 0.00 0.00 0.00 174.94 176.57 1myr s ASN 479 N 0.92 6.74 0.00 3.58 3.84 -1.26 -4.93 114.94 123.83 1myr s ASN 479 Ca -0.09 0.82 0.13 0.00 0.21 0.00 0.00 52.86 53.94 1myr s ASN 479 Cb -0.15 -2.43 0.67 0.00 -0.55 0.00 0.00 41.25 38.79 1myr s ASN 479 CO -0.00 -0.60 1.36 0.79 -2.79 0.00 0.00 177.10 175.85 1myr n TRP 480 N 6.20 0.00 0.07 0.43 7.02 -1.26 -1.26 117.44 128.64 1myr n TRP 480 Ca 0.05 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.63 1myr n TRP 480 Cb 0.48 -0.30 -0.05 0.00 -2.42 0.00 0.00 31.31 29.01 1myr n TRP 480 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1myr n ASN 481 N -1.30 0.63 -3.27 -0.99 3.02 -1.26 -4.63 115.26 107.46 1myr n ASN 481 Ca 0.06 0.25 -0.06 0.00 -0.03 0.00 0.00 54.58 54.80 1myr n ASN 481 Cb 0.11 0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.06 1myr n ASN 481 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1myr s ASN 482 N -5.19 -0.38 0.00 6.41 3.84 -0.39 -5.06 114.94 114.18 1myr s ASN 482 Ca -0.03 -0.85 0.29 0.00 0.21 0.00 0.00 52.86 52.48 1myr s ASN 482 Cb 0.11 1.39 1.71 0.00 -0.55 0.00 0.00 41.25 43.90 1myr s ASN 482 CO 0.82 -0.24 2.06 1.33 -2.79 0.00 0.00 177.10 178.28 1myr n VAL 483 N 4.64 0.01 0.12 -5.21 0.24 -1.10 -4.11 118.33 112.92 1myr n VAL 483 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1myr n VAL 483 Cb 0.52 -0.55 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 1myr n VAL 483 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1myr h THR 484 N 0.00 0.43 -4.01 3.34 2.02 -1.87 -3.44 112.91 109.38 1myr h THR 484 Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.71 1myr h THR 484 Cb 0.02 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1myr h THR 484 CO 0.00 0.00 0.39 -1.81 0.37 0.00 0.00 175.52 174.47 1myr s ASP 485 N -4.81 6.64 -0.22 4.18 1.01 -1.26 -4.94 116.67 117.26 1myr s ASP 485 Ca -0.16 1.96 0.01 0.00 0.71 0.00 0.00 52.55 55.08 1myr s ASP 485 Cb 0.08 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.49 1myr s ASP 485 CO 0.65 -0.58 -0.09 -0.13 0.21 0.00 0.00 175.17 175.24 1myr s ARG 486 N -2.81 1.95 -0.19 8.23 3.00 -1.26 -4.43 118.95 123.44 1myr s ARG 486 Ca 0.61 -0.98 -0.04 0.00 0.00 0.00 0.00 55.73 55.32 1myr s ARG 486 Cb -0.19 -2.56 -0.02 0.00 0.00 0.00 0.00 34.95 32.18 1myr s ARG 486 CO 0.23 -0.50 -0.02 -0.51 0.00 0.00 0.00 175.30 174.50 1myr s ASP 487 N 1.34 4.72 0.05 0.23 1.01 -0.59 -4.81 116.67 118.63 1myr s ASP 487 Ca -0.04 -0.22 -0.34 0.00 0.71 0.00 0.00 52.55 52.66 1myr s ASP 487 Cb -0.18 -1.80 -0.12 0.00 1.01 0.00 0.00 42.92 41.83 1myr s ASP 487 CO -0.07 0.07 1.75 0.18 0.21 0.00 0.00 175.17 177.31 1myr n LEU 488 N 4.19 3.40 0.00 1.23 4.77 -1.26 0.52 117.00 129.85 1myr n LEU 488 Ca -0.17 1.02 -0.18 0.00 -0.03 0.00 0.00 56.01 56.65 1myr n LEU 488 Cb 0.52 -1.42 0.13 0.00 -2.33 0.00 0.00 43.42 40.31 1myr n LEU 488 CO 0.31 -0.12 0.50 0.29 -1.33 0.00 0.00 177.39 177.05 1myr n LYS 489 N 5.16 -1.04 -0.27 3.23 5.02 -0.03 -4.72 118.16 125.51 1myr n LYS 489 Ca 0.20 -1.20 0.05 0.00 -2.02 0.00 0.00 58.31 55.34 1myr n LYS 489 Cb 0.30 -0.85 0.27 0.00 -0.02 0.00 0.00 35.03 34.74 1myr n LYS 489 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1myr h LYS 490 N 0.00 0.92 -0.41 1.97 1.79 -1.24 -0.10 116.57 119.50 1myr h LYS 490 Ca -0.26 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.10 1myr h LYS 490 Cb 0.72 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1myr h LYS 490 CO 0.18 0.61 0.01 0.66 -1.08 0.00 0.00 179.45 179.83 1myr h SER 491 N 0.95 0.70 -0.46 0.86 4.64 -1.81 0.29 113.55 118.71 1myr h SER 491 Ca 0.37 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1myr h SER 491 Cb 0.23 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1myr h SER 491 CO -0.14 0.83 -0.04 1.23 -0.87 0.00 0.00 176.83 177.84 1myr h GLY 492 N 0.55 0.97 1.27 -0.77 0.00 -1.18 0.29 103.07 104.20 1myr h GLY 492 Ca 0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1myr h GLY 492 CO 0.02 0.65 -0.15 1.46 0.00 0.00 0.00 176.54 178.52 1myr h GLN 493 N 0.82 0.85 -0.26 4.80 4.20 -0.86 0.37 115.11 125.04 1myr h GLN 493 Ca 0.15 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1myr h GLN 493 Cb 0.54 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1myr h GLN 493 CO 0.03 0.94 0.10 2.35 -0.67 0.00 0.00 178.83 181.59 1myr h TRP 494 N 0.75 0.39 -0.61 2.96 7.01 0.16 -2.42 115.95 124.19 1myr h TRP 494 Ca 0.12 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1myr h TRP 494 Cb 0.66 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 1myr h TRP 494 CO 0.04 0.40 0.32 -0.92 -2.79 0.00 0.00 178.44 175.48 1myr h TYR 495 N 0.27 0.83 -0.93 2.65 3.20 -0.14 0.38 116.97 123.22 1myr h TYR 495 Ca 0.09 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1myr h TYR 495 Cb 0.17 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1myr h TYR 495 CO -0.01 0.59 0.61 0.37 -1.64 0.00 0.00 178.16 178.09 1myr h GLN 496 N 0.85 1.23 0.03 1.82 4.15 -0.76 0.85 115.11 123.29 1myr h GLN 496 Ca 0.22 -0.08 -0.25 0.00 0.77 0.00 0.00 58.65 59.31 1myr h GLN 496 Cb 0.05 -0.28 0.01 0.00 0.21 0.00 0.00 27.48 27.47 1myr h GLN 496 CO -0.03 0.82 -1.03 -0.22 -1.93 0.00 0.00 178.83 176.43 1myr h LYS 497 N 1.27 0.50 -0.67 1.69 3.64 -0.69 -1.00 116.57 121.30 1myr h LYS 497 Ca 0.34 -0.57 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1myr h LYS 497 Cb -0.14 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1myr h LYS 497 CO -0.07 1.21 0.38 0.35 -2.27 0.00 0.00 179.45 179.05 1myr h PHE 498 N 0.26 0.71 -0.14 1.91 3.04 -0.00 -1.49 116.94 121.23 1myr h PHE 498 Ca -0.11 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.66 1myr h PHE 498 Cb 1.69 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.98 1myr h PHE 498 CO 0.08 0.35 -0.73 0.82 -2.02 0.00 0.00 178.31 176.80 1myr h ILE 499 N 0.71 1.31 -2.48 1.41 2.04 -0.61 0.13 117.51 120.02 1myr h ILE 499 Ca 0.30 -2.00 -0.60 0.00 1.00 0.00 0.00 64.86 63.56 1myr h ILE 499 Cb 0.16 1.99 -0.41 0.00 -0.74 0.00 0.00 36.82 37.82 1myr h ILE 499 CO -0.17 0.62 -0.72 -1.20 0.00 0.00 0.00 178.15 176.68 1myr n SER 500 N -3.91 2.36 0.00 1.72 7.64 -0.40 -4.57 113.62 116.47 1myr n SER 500 Ca -0.06 -3.10 0.11 0.00 1.01 0.00 0.00 58.87 56.83 1myr n SER 500 Cb 0.72 -0.68 0.67 0.00 -1.01 0.00 0.00 64.21 63.90 1myr n SER 500 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22