#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2udp s ARG 2 N 0.00 3.19 -0.11 0.03 0.52 -1.26 -1.21 118.95 120.11 2udp s ARG 2 Ca 0.00 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 2udp s ARG 2 Cb 0.00 -4.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.06 2udp s ARG 2 CO 0.00 -1.68 -0.01 0.54 0.02 0.00 0.00 175.30 174.18 2udp s VAL 3 N 3.08 4.23 -0.29 3.52 0.11 0.14 -0.17 120.40 131.03 2udp s VAL 3 Ca 0.20 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2udp s VAL 3 Cb -0.17 -2.81 -0.02 0.00 -1.53 0.00 0.00 36.38 31.85 2udp s VAL 3 CO 0.04 0.56 0.14 -0.22 -3.33 0.00 0.00 175.10 172.29 2udp s LEU 4 N -0.43 3.89 -0.52 2.54 2.96 -0.68 -1.16 118.68 125.28 2udp s LEU 4 Ca 0.08 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2udp s LEU 4 Cb -0.12 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.70 2udp s LEU 4 CO 0.02 -0.12 0.39 -0.69 -1.32 0.00 0.00 176.35 174.64 2udp s VAL 5 N 1.65 4.25 0.61 1.68 1.01 0.80 -1.47 120.40 128.93 2udp s VAL 5 Ca 0.06 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.87 2udp s VAL 5 Cb -0.16 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2udp s VAL 5 CO 0.06 -0.81 1.08 0.42 0.00 0.00 0.00 175.10 175.85 2udp s THR 6 N 1.07 3.56 -1.63 3.92 -4.23 -0.84 -1.33 115.64 116.15 2udp s THR 6 Ca 0.08 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2udp s THR 6 Cb -0.24 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.33 2udp s THR 6 CO -0.02 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2udp n GLY 7 N -0.72 0.16 0.25 3.99 0.00 0.37 -2.47 105.19 106.77 2udp n GLY 7 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 2udp n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2udp h GLY 8 N 0.00 0.00 -1.16 -0.02 0.00 -1.61 -2.79 103.07 97.48 2udp h GLY 8 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2udp h GLY 8 CO 0.51 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.91 2udp n SER 9 N -2.98 2.09 -3.16 0.19 3.41 -1.26 -1.47 113.62 110.44 2udp n SER 9 Ca 0.01 -1.77 -0.15 0.00 -0.26 0.00 0.00 58.87 56.70 2udp n SER 9 Cb 0.34 -0.13 0.09 0.00 -0.26 0.00 0.00 64.21 64.25 2udp n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2udp n GLY 10 N 1.22 -0.58 0.32 5.00 0.00 -1.05 -4.54 105.19 105.56 2udp n GLY 10 Ca 0.17 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 2udp n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2udp h TYR 11 N -1.08 -0.83 -0.17 1.61 3.20 -1.89 -0.84 116.97 116.97 2udp h TYR 11 Ca -0.21 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.47 2udp h TYR 11 Cb 0.65 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2udp h TYR 11 CO 0.00 -0.44 -0.65 0.82 -1.64 0.00 0.00 178.16 176.24 2udp h ILE 12 N -0.71 1.32 -0.49 1.81 2.04 -1.95 -3.25 117.51 116.27 2udp h ILE 12 Ca -0.06 -1.92 0.02 0.00 1.00 0.00 0.00 64.86 63.91 2udp h ILE 12 Cb 0.58 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2udp h ILE 12 CO 0.03 0.60 0.29 1.23 0.00 0.00 0.00 178.15 180.30 2udp h GLY 13 N 0.92 0.70 1.17 5.37 0.00 -1.71 -0.20 103.07 109.32 2udp h GLY 13 Ca -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 2udp h GLY 13 CO 0.13 0.18 0.01 1.48 0.00 0.00 0.00 176.54 178.34 2udp h SER 14 N 0.58 0.97 -0.29 0.19 4.64 0.00 0.26 113.55 119.91 2udp h SER 14 Ca 0.20 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 2udp h SER 14 Cb 0.02 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2udp h SER 14 CO -0.09 1.02 -0.28 0.45 -0.87 0.00 0.00 176.83 177.06 2udp h HIS 15 N 0.92 0.92 -0.48 4.77 -0.00 -1.54 -1.76 115.15 117.98 2udp h HIS 15 Ca 0.17 -0.23 -0.10 0.00 -0.00 0.00 0.00 60.37 60.21 2udp h HIS 15 Cb 0.53 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 2udp h HIS 15 CO 0.03 0.98 -0.09 1.15 -0.00 0.00 0.00 177.93 180.01 2udp h THR 16 N 0.68 1.27 -0.39 2.45 2.02 -0.45 -2.27 112.91 116.22 2udp h THR 16 Ca 0.08 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 2udp h THR 16 Cb 0.81 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2udp h THR 16 CO 0.07 0.42 0.20 0.00 0.37 0.00 0.00 175.52 176.58 2udp h VAL 18 N 0.54 1.08 -0.44 0.00 2.07 -0.75 -1.93 116.25 116.81 2udp h VAL 18 Ca 0.14 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 2udp h VAL 18 Cb 0.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2udp h VAL 18 CO -0.02 0.08 -0.05 1.56 0.02 0.00 0.00 177.57 179.15 2udp h GLN 19 N 0.20 0.75 0.23 1.57 1.08 -1.05 -1.31 115.11 116.59 2udp h GLN 19 Ca 0.06 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 2udp h GLN 19 Cb 0.03 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2udp h GLN 19 CO -0.01 0.79 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.48 2udp h LEU 20 N 0.69 -0.26 -0.56 1.46 3.38 -0.98 -0.67 115.31 118.38 2udp h LEU 20 Ca 0.13 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2udp h LEU 20 Cb 0.50 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2udp h LEU 20 CO 0.03 -0.13 0.31 -0.07 0.09 0.00 0.00 178.44 178.67 2udp h LEU 21 N -0.38 0.46 -1.92 1.67 3.38 -1.26 -0.60 115.31 116.66 2udp h LEU 21 Ca -0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2udp h LEU 21 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2udp h LEU 21 CO 0.05 0.32 0.22 1.56 0.09 0.00 0.00 178.44 180.68 2udp h GLN 22 N 0.59 0.09 -0.08 1.13 1.08 -0.91 0.16 115.11 117.17 2udp h GLN 22 Ca 0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2udp h GLN 22 Cb 0.11 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2udp h GLN 22 CO -0.14 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 177.89 2udp n ASN 23 N -4.46 1.18 0.00 1.46 5.03 -0.27 -4.93 115.26 113.27 2udp n ASN 23 Ca 0.04 -1.53 0.00 0.00 0.87 0.00 0.00 54.58 53.96 2udp n ASN 23 Cb 0.33 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 2udp n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2udp n GLY 24 N 1.07 0.75 3.82 7.41 0.00 0.55 -5.01 105.19 113.77 2udp n GLY 24 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2udp n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2udp s HIS 25 N -2.51 3.12 -0.44 1.61 3.76 -0.81 -4.71 115.29 115.30 2udp s HIS 25 Ca 0.00 1.47 -0.21 0.00 -0.15 0.00 0.00 55.06 56.17 2udp s HIS 25 Cb 0.00 -2.93 0.03 0.00 1.11 0.00 0.00 32.58 30.79 2udp s HIS 25 CO 0.00 -1.03 0.64 -0.51 -0.85 0.00 0.00 174.74 172.99 2udp s ASP 26 N -3.19 6.31 -0.20 1.40 1.01 -0.35 -4.44 116.67 117.21 2udp s ASP 26 Ca 0.61 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 53.41 2udp s ASP 26 Cb -0.14 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2udp s ASP 26 CO 0.42 -0.79 0.03 -0.69 0.21 0.00 0.00 175.17 174.36 2udp s VAL 27 N 2.80 4.34 -0.27 -1.27 1.01 -1.26 -0.68 120.40 125.06 2udp s VAL 27 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2udp s VAL 27 Cb -0.15 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2udp s VAL 27 CO 0.18 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 175.05 2udp s ILE 28 N 0.83 3.04 -0.01 2.22 1.09 -0.31 -0.29 121.20 127.77 2udp s ILE 28 Ca 0.02 -1.09 -0.19 0.00 -1.10 0.00 0.00 60.65 58.29 2udp s ILE 28 Cb -0.14 -2.60 -0.05 0.00 -1.06 0.00 0.00 42.46 38.60 2udp s ILE 28 CO 0.02 0.10 0.54 -0.63 -0.10 0.00 0.00 174.94 174.87 2udp s ILE 29 N 1.32 4.94 -0.15 2.92 1.01 0.16 -0.14 121.20 131.26 2udp s ILE 29 Ca -0.01 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2udp s ILE 29 Cb -0.18 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2udp s ILE 29 CO -0.03 0.46 -0.11 -0.22 0.00 0.00 0.00 174.94 175.04 2udp s LEU 30 N -0.39 1.66 -0.16 2.97 1.98 -0.44 0.46 118.68 124.77 2udp s LEU 30 Ca 0.29 -0.53 -0.14 0.00 -2.89 0.00 0.00 54.13 50.86 2udp s LEU 30 Cb -0.18 -1.09 0.04 0.00 0.66 0.00 0.00 46.19 45.63 2udp s LEU 30 CO 0.16 -0.10 0.41 -0.62 -1.89 0.00 0.00 176.35 174.31 2udp s ASP 31 N 1.54 -0.44 0.00 3.68 -1.08 -0.62 -0.48 116.67 119.27 2udp s ASP 31 Ca 0.04 0.84 0.27 0.00 -0.52 0.00 0.00 52.55 53.17 2udp s ASP 31 Cb -0.14 0.84 0.88 0.00 -1.46 0.00 0.00 42.92 43.04 2udp s ASP 31 CO -0.09 -0.15 1.64 -0.46 0.52 0.00 0.00 175.17 176.63 2udp n ASN 32 N 2.98 1.04 -1.48 -0.34 6.94 -0.78 -1.78 115.26 121.84 2udp n ASN 32 Ca -0.14 -0.97 -0.17 0.00 -0.02 0.00 0.00 54.58 53.28 2udp n ASN 32 Cb 0.57 0.08 -0.06 0.00 -2.36 0.00 0.00 39.78 38.02 2udp n ASN 32 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2udp n LEU 33 N -0.53 -1.39 0.26 -4.53 4.77 -1.26 -4.85 117.00 109.47 2udp n LEU 33 Ca 0.14 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.58 2udp n LEU 33 Cb 0.34 -2.45 0.52 0.00 -2.33 0.00 0.00 43.42 39.50 2udp n LEU 33 CO 0.24 -0.70 0.93 0.00 -1.33 0.00 0.00 177.39 176.53 2udp n ASN 35 N -3.10 0.49 -3.87 0.00 5.15 -1.26 -5.10 115.26 107.56 2udp n ASN 35 Ca 0.02 -2.09 -0.09 0.00 -0.60 0.00 0.00 54.58 51.82 2udp n ASN 35 Cb 0.38 -0.25 -0.04 0.00 -0.53 0.00 0.00 39.78 39.34 2udp n ASN 35 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2udp s SER 36 N -1.48 -0.08 0.04 1.20 1.04 -1.25 -4.86 113.70 108.31 2udp s SER 36 Ca 0.14 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.74 2udp s SER 36 Cb 0.16 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.90 2udp s SER 36 CO -0.06 -1.23 -0.16 -0.54 0.98 0.00 0.00 173.24 172.23 2udp s LYS 37 N -3.86 1.03 0.56 4.02 1.02 -1.26 -4.67 119.74 116.58 2udp s LYS 37 Ca 0.19 -0.82 0.26 0.00 0.02 0.00 0.00 55.97 55.62 2udp s LYS 37 Cb -0.02 -1.08 1.50 0.00 -0.52 0.00 0.00 37.83 37.71 2udp s LYS 37 CO 0.09 0.27 2.04 0.00 -0.92 0.00 0.00 175.35 176.83 2udp h ARG 38 N 4.85 0.00 0.00 1.68 3.08 -1.95 -2.28 114.38 119.76 2udp h ARG 38 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2udp h ARG 38 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2udp h ARG 38 CO 0.43 0.00 0.01 -1.13 -1.07 0.00 0.00 179.97 178.22 2udp n SER 39 N -4.08 0.49 0.17 7.04 3.41 -1.26 -0.71 113.62 118.67 2udp n SER 39 Ca 0.05 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 2udp n SER 39 Cb 0.45 -0.79 0.31 0.00 -0.26 0.00 0.00 64.21 63.92 2udp n SER 39 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2udp h VAL 40 N 0.00 0.00 0.05 -3.33 3.04 -1.77 -3.37 116.25 110.87 2udp h VAL 40 Ca 0.00 -0.71 0.02 0.00 -1.01 0.00 0.00 66.70 65.00 2udp h VAL 40 Cb 0.03 1.70 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 2udp h VAL 40 CO 0.00 0.00 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.27 2udp h LEU 41 N 0.00 -0.62 -1.54 3.16 3.38 -1.13 -0.75 115.31 117.81 2udp h LEU 41 Ca 0.00 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2udp h LEU 41 Cb 0.84 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2udp h LEU 41 CO 0.00 -0.29 -0.24 -0.65 0.09 0.00 0.00 178.44 177.35 2udp h PRO 42 N -0.37 0.00 -0.21 1.13 0.11 -1.77 -1.30 132.00 129.59 2udp h PRO 42 Ca 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2udp h PRO 42 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2udp h PRO 42 CO -0.17 0.24 -0.04 0.28 -0.21 0.00 0.00 178.00 178.11 2udp h VAL 43 N 0.00 1.28 -0.97 3.15 2.07 -1.58 0.21 116.25 120.41 2udp h VAL 43 Ca -0.00 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2udp h VAL 43 Cb 0.46 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2udp h VAL 43 CO 0.03 0.30 0.64 0.40 0.02 0.00 0.00 177.57 178.96 2udp h ILE 44 N 0.13 1.16 0.12 4.57 2.04 -0.53 -0.78 117.51 124.22 2udp h ILE 44 Ca 0.06 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2udp h ILE 44 Cb 0.47 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2udp h ILE 44 CO 0.02 0.22 -0.06 -0.08 0.00 0.00 0.00 178.15 178.25 2udp h GLU 45 N 1.22 -0.16 -0.28 2.37 4.81 -0.92 1.01 114.58 122.63 2udp h GLU 45 Ca 0.39 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.69 2udp h GLU 45 Cb 0.03 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 2udp h GLU 45 CO -0.12 0.18 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.15 2udp h ARG 46 N -0.51 -0.04 -0.06 1.92 2.43 -0.43 0.24 114.38 117.92 2udp h ARG 46 Ca -0.02 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2udp h ARG 46 Cb 0.41 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2udp h ARG 46 CO 0.03 -0.03 -0.84 -0.07 -1.51 0.00 0.00 179.97 177.55 2udp h LEU 47 N -0.05 0.63 -1.55 3.80 3.38 -1.15 -3.14 115.31 117.23 2udp h LEU 47 Ca 0.14 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2udp h LEU 47 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2udp h LEU 47 CO -0.32 1.23 -0.24 1.23 0.09 0.00 0.00 178.44 180.43 2udp h GLY 48 N 1.05 0.00 -0.04 0.83 0.00 0.16 -3.46 103.07 101.61 2udp h GLY 48 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2udp h GLY 48 CO 0.15 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.29 2udp n GLY 49 N -0.76 0.48 3.58 4.60 0.00 0.78 -2.48 105.19 111.38 2udp n GLY 49 Ca -0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 2udp n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2udp s LYS 50 N -0.87 0.90 -0.14 1.61 2.20 -1.16 -5.01 119.74 117.27 2udp s LYS 50 Ca 0.00 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 55.89 2udp s LYS 50 Cb 0.00 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2udp s LYS 50 CO 0.00 -0.21 1.01 -1.58 -0.36 0.00 0.00 175.35 174.22 2udp s HIS 51 N -0.46 3.46 -0.12 4.03 5.65 -1.26 -4.50 115.29 122.09 2udp s HIS 51 Ca -0.05 1.55 -0.13 0.00 0.25 0.00 0.00 55.06 56.69 2udp s HIS 51 Cb -0.02 -3.21 -0.05 0.00 -1.18 0.00 0.00 32.58 28.12 2udp s HIS 51 CO 0.05 -0.30 0.28 -1.25 -0.65 0.00 0.00 174.74 172.87 2udp s PRO 52 N 2.37 4.02 0.44 2.88 0.04 -1.26 -4.73 135.00 138.75 2udp s PRO 52 Ca 0.47 0.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.39 2udp s PRO 52 Cb -0.17 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 2udp s PRO 52 CO 0.14 0.45 1.11 0.99 0.04 0.00 0.00 177.00 179.73 2udp s THR 53 N -0.19 3.40 -0.04 1.26 2.01 0.60 -4.87 115.64 117.82 2udp s THR 53 Ca 0.18 1.04 0.07 0.00 0.31 0.00 0.00 61.69 63.28 2udp s THR 53 Cb -0.14 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2udp s THR 53 CO 0.06 -0.02 -0.24 0.12 -0.69 0.00 0.00 174.62 173.85 2udp s PHE 54 N -1.62 2.25 -0.08 4.92 5.36 -1.26 0.37 117.98 127.91 2udp s PHE 54 Ca 0.62 -0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2udp s PHE 54 Cb -0.25 -1.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 2udp s PHE 54 CO 0.31 -0.12 -0.02 0.08 -1.46 0.00 0.00 175.22 174.01 2udp s VAL 55 N -0.36 0.56 -0.29 3.12 1.01 0.17 -4.93 120.40 119.68 2udp s VAL 55 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 2udp s VAL 55 Cb -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2udp s VAL 55 CO 0.01 0.29 0.94 -0.70 0.00 0.00 0.00 175.10 175.64 2udp s GLU 56 N 1.89 4.08 -0.06 2.72 2.12 -1.26 -1.58 118.70 126.61 2udp s GLU 56 Ca 0.05 0.94 -0.32 0.00 0.36 0.00 0.00 54.97 56.00 2udp s GLU 56 Cb -0.12 -3.70 0.13 0.00 0.26 0.00 0.00 34.13 30.70 2udp s GLU 56 CO -0.06 -0.72 1.35 0.20 -0.54 0.00 0.00 175.26 175.49 2udp s GLY 57 N 1.51 -0.45 -0.13 -1.50 0.00 -0.74 -4.92 107.32 101.11 2udp s GLY 57 Ca 0.39 0.85 -0.04 0.00 0.00 0.00 0.00 44.72 45.92 2udp s GLY 57 CO 0.11 0.16 0.04 -0.35 0.00 0.00 0.00 173.10 173.06 2udp s ASP 58 N -2.95 5.48 0.66 1.64 -1.08 -1.26 -1.86 116.67 117.29 2udp s ASP 58 Ca 0.14 0.15 0.41 0.00 -0.52 0.00 0.00 52.55 52.73 2udp s ASP 58 Cb 0.06 -1.74 2.24 0.00 -1.46 0.00 0.00 42.92 42.02 2udp s ASP 58 CO -0.05 0.30 2.29 0.16 0.52 0.00 0.00 175.17 178.39 2udp h ILE 59 N 4.44 0.08 0.00 4.11 3.07 -1.96 -0.38 117.51 126.88 2udp h ILE 59 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2udp h ILE 59 Cb 1.19 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2udp h ILE 59 CO 0.61 0.00 0.00 0.54 -1.05 0.00 0.00 178.15 178.25 2udp n ARG 60 N -3.17 0.05 -2.85 0.16 1.74 -1.26 -3.83 116.66 107.50 2udp n ARG 60 Ca -0.03 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 2udp n ARG 60 Cb 0.12 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.98 2udp n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2udp s ASN 61 N -3.29 6.72 0.20 0.55 3.84 -0.15 -4.90 114.94 117.91 2udp s ASN 61 Ca 0.12 -2.18 -0.10 0.00 0.21 0.00 0.00 52.86 50.90 2udp s ASN 61 Cb 0.16 -2.44 0.18 0.00 -0.55 0.00 0.00 41.25 38.60 2udp s ASN 61 CO 0.48 -1.07 1.84 -0.08 -2.79 0.00 0.00 177.10 175.48 2udp h GLU 62 N 8.54 0.80 -0.64 0.43 4.81 -1.85 0.92 114.58 127.60 2udp h GLU 62 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2udp h GLU 62 Cb 0.98 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 2udp h GLU 62 CO 1.21 0.53 0.38 0.00 -0.73 0.00 0.00 179.01 180.41 2udp h ALA 63 N 1.30 0.81 -0.56 2.92 0.00 -1.93 0.24 119.26 122.04 2udp h ALA 63 Ca 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2udp h ALA 63 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2udp h ALA 63 CO -0.11 0.29 0.13 1.25 0.00 0.00 0.00 179.25 180.80 2udp h LEU 64 N 0.86 0.85 -0.66 0.00 5.85 -1.78 0.24 115.31 120.67 2udp h LEU 64 Ca 0.23 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2udp h LEU 64 Cb -0.03 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2udp h LEU 64 CO -0.04 0.87 0.39 0.24 -0.34 0.00 0.00 178.44 179.56 2udp h MET 65 N 0.80 0.90 -0.73 1.25 2.86 -0.29 0.27 114.93 120.00 2udp h MET 65 Ca 0.17 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2udp h MET 65 Cb 0.36 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2udp h MET 65 CO 0.00 0.65 0.33 1.15 1.06 0.00 0.00 176.91 180.11 2udp h THR 66 N 0.90 1.24 -0.35 2.22 2.02 -0.02 -1.30 112.91 117.62 2udp h THR 66 Ca 0.24 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.73 2udp h THR 66 Cb -0.01 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2udp h THR 66 CO -0.04 0.29 0.21 -0.08 0.37 0.00 0.00 175.52 176.27 2udp h GLU 67 N 1.03 0.42 -0.12 6.66 4.81 -0.27 -1.84 114.58 125.27 2udp h GLU 67 Ca 0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2udp h GLU 67 Cb 0.14 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2udp h GLU 67 CO -0.03 0.28 0.04 0.82 -0.73 0.00 0.00 179.01 179.39 2udp h ILE 68 N 0.44 1.17 -0.85 2.32 2.04 -0.71 0.11 117.51 122.02 2udp h ILE 68 Ca 0.13 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2udp h ILE 68 Cb -0.02 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 2udp h ILE 68 CO -0.05 0.16 0.49 -0.07 0.00 0.00 0.00 178.15 178.68 2udp h LEU 69 N 0.01 0.70 0.24 1.44 3.38 -1.04 0.23 115.31 120.27 2udp h LEU 69 Ca 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2udp h LEU 69 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2udp h LEU 69 CO -0.00 0.39 -0.11 -0.74 0.09 0.00 0.00 178.44 178.06 2udp h HIS 70 N 0.81 -0.30 -0.90 1.13 2.76 -1.21 -1.85 115.15 115.59 2udp h HIS 70 Ca 0.42 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.69 2udp h HIS 70 Cb 0.41 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 2udp h HIS 70 CO -0.06 0.00 0.58 -0.44 -1.30 0.00 0.00 177.93 176.71 2udp h ASP 71 N -1.00 0.78 -0.31 3.26 3.32 -0.65 -0.11 116.42 121.71 2udp h ASP 71 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2udp h ASP 71 Cb 0.43 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2udp h ASP 71 CO 0.05 0.44 0.00 1.41 -1.72 0.00 0.00 179.24 179.42 2udp n HIS 72 N -4.54 0.40 -3.86 4.55 8.25 0.06 -4.97 115.22 115.10 2udp n HIS 72 Ca 0.16 -0.20 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 2udp n HIS 72 Cb 0.34 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.47 2udp n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2udp n ALA 73 N 0.90 -2.34 -1.84 -1.41 0.00 -0.05 -4.88 120.51 110.88 2udp n ALA 73 Ca 0.17 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2udp n ALA 73 Cb 0.46 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 2udp n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2udp s ILE 74 N -3.69 3.11 -0.23 0.00 -1.09 -0.73 -4.75 121.20 113.81 2udp s ILE 74 Ca 0.29 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.77 2udp s ILE 74 Cb -0.12 -3.67 -0.19 0.00 -1.58 0.00 0.00 42.46 36.90 2udp s ILE 74 CO 0.89 0.22 -0.08 0.47 -1.23 0.00 0.00 174.94 175.21 2udp n ASP 75 N 1.46 1.86 -3.83 3.58 8.00 0.76 -4.85 116.55 123.53 2udp n ASP 75 Ca 0.01 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.35 2udp n ASP 75 Cb 0.43 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2udp n ASP 75 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2udp s THR 76 N -2.53 0.10 -0.12 -3.53 -1.32 -1.12 -3.99 115.64 103.12 2udp s THR 76 Ca -0.31 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2udp s THR 76 Cb 0.08 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2udp s THR 76 CO 0.65 -0.44 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.83 2udp s VAL 77 N -2.19 1.25 -0.39 5.08 1.01 -0.64 -1.69 120.40 122.83 2udp s VAL 77 Ca -0.08 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2udp s VAL 77 Cb -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2udp s VAL 77 CO -0.02 0.40 0.26 -0.63 0.00 0.00 0.00 175.10 175.12 2udp s ILE 78 N 1.54 5.01 -0.79 2.22 1.01 -0.54 0.02 121.20 129.68 2udp s ILE 78 Ca 0.03 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 2udp s ILE 78 Cb -0.13 -3.78 0.18 0.00 0.01 0.00 0.00 42.46 38.75 2udp s ILE 78 CO -0.08 -0.26 0.79 -2.28 0.00 0.00 0.00 174.94 173.10 2udp s HIS 79 N 1.64 3.53 -0.11 3.97 2.46 0.25 -1.99 115.29 125.04 2udp s HIS 79 Ca 0.04 -1.72 0.21 0.00 0.47 0.00 0.00 55.06 54.06 2udp s HIS 79 Cb -0.19 -3.91 -0.22 0.00 -0.13 0.00 0.00 32.58 28.13 2udp s HIS 79 CO 0.09 -1.10 0.62 1.19 -2.47 0.00 0.00 174.74 173.07 2udp n PHE 80 N 4.74 0.37 -1.75 3.88 3.72 -1.03 -2.80 117.46 124.58 2udp n PHE 80 Ca 0.10 0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 2udp n PHE 80 Cb 0.46 -0.74 -0.01 0.00 -0.94 0.00 0.00 39.48 38.25 2udp n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2udp n ALA 81 N -2.30 2.35 0.00 4.37 0.00 -1.19 -4.75 120.51 118.98 2udp n ALA 81 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2udp n ALA 81 Cb 0.65 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2udp n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2udp n GLY 82 N 1.26 -2.88 3.85 0.00 0.00 -1.26 -4.92 105.19 101.24 2udp n GLY 82 Ca 0.05 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 2udp n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2udp s LEU 83 N 0.00 4.43 0.00 0.99 1.43 -1.26 -5.03 118.68 119.24 2udp s LEU 83 Ca 0.00 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2udp s LEU 83 Cb 0.00 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2udp s LEU 83 CO 0.00 0.30 0.72 2.29 0.23 0.00 0.00 176.35 179.88 2udp n LYS 84 N 1.59 0.00 -3.36 1.70 2.85 -1.26 -4.96 118.16 114.72 2udp n LYS 84 Ca -0.13 -0.72 -0.40 0.00 -1.05 0.00 0.00 58.31 56.01 2udp n LYS 84 Cb 0.53 -0.50 -0.09 0.00 -0.65 0.00 0.00 35.03 34.32 2udp n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2udp s ALA 85 N 0.00 3.55 0.09 0.58 0.00 -1.26 -4.97 121.76 119.74 2udp s ALA 85 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 2udp s ALA 85 Cb 0.00 -2.78 -0.14 0.00 0.00 0.00 0.00 23.12 20.20 2udp s ALA 85 CO 0.00 -0.80 1.66 0.28 0.00 0.00 0.00 175.76 176.91 2udp h VAL 86 N 5.44 0.56 -0.21 0.00 2.07 -1.99 -1.14 116.25 120.98 2udp h VAL 86 Ca -0.31 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2udp h VAL 86 Cb 1.15 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2udp h VAL 86 CO 0.67 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 179.39 2udp h GLY 87 N -0.49 0.07 1.02 2.17 0.00 -1.95 -0.64 103.07 103.25 2udp h GLY 87 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2udp h GLY 87 CO -0.00 -0.12 0.55 -2.09 0.00 0.00 0.00 176.54 174.87 2udp h GLU 88 N -0.08 0.97 -0.89 4.80 4.81 -1.98 -2.43 114.58 119.78 2udp h GLU 88 Ca 0.11 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2udp h GLU 88 Cb 0.25 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2udp h GLU 88 CO -0.26 0.64 0.58 0.66 -0.73 0.00 0.00 179.01 179.90 2udp h SER 89 N 1.00 0.92 -0.81 1.04 4.64 0.21 0.44 113.55 120.98 2udp h SER 89 Ca 0.34 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 2udp h SER 89 Cb 0.09 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 2udp h SER 89 CO -0.11 0.60 0.38 0.58 -0.87 0.00 0.00 176.83 177.41 2udp h VAL 90 N 1.05 1.26 0.00 0.95 2.07 -1.12 -1.44 116.25 119.01 2udp h VAL 90 Ca 0.37 -0.74 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 2udp h VAL 90 Cb 0.13 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2udp h VAL 90 CO -0.13 0.31 -0.86 1.56 0.02 0.00 0.00 177.57 178.48 2udp h GLN 91 N 1.16 0.03 -2.03 1.57 1.08 -1.00 -3.39 115.11 112.55 2udp h GLN 91 Ca 0.28 -0.04 -0.53 0.00 -1.45 0.00 0.00 58.65 56.91 2udp h GLN 91 Cb 0.14 0.01 -0.40 0.00 -0.05 0.00 0.00 27.48 27.19 2udp h GLN 91 CO -0.03 0.87 -1.09 1.63 -0.95 0.00 0.00 178.83 179.26 2udp n LYS 92 N -3.55 1.07 -0.08 1.46 5.02 0.14 -4.98 118.16 117.25 2udp n LYS 92 Ca -0.01 -3.47 -0.07 0.00 -2.02 0.00 0.00 58.31 52.74 2udp n LYS 92 Cb 0.81 -1.54 -0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2udp n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2udp h PRO 93 N 3.55 -0.08 -0.99 1.97 0.13 -1.47 -2.95 132.00 132.17 2udp h PRO 93 Ca 0.09 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.41 2udp h PRO 93 Cb 0.88 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.93 2udp h PRO 93 CO 0.52 -0.05 0.60 -0.07 -0.23 0.00 0.00 178.00 178.77 2udp h LEU 94 N -0.08 0.78 -1.07 1.56 3.38 -1.94 0.23 115.31 118.18 2udp h LEU 94 Ca 0.15 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2udp h LEU 94 Cb 0.31 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2udp h LEU 94 CO -0.35 0.30 0.08 -0.33 0.09 0.00 0.00 178.44 178.23 2udp h GLU 95 N 0.78 0.74 -0.10 1.13 5.08 -1.92 0.60 114.58 120.90 2udp h GLU 95 Ca 0.56 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2udp h GLU 95 Cb 0.82 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2udp h GLU 95 CO -0.37 0.70 -0.01 1.88 -1.00 0.00 0.00 179.01 180.22 2udp h TYR 96 N 0.71 0.19 -0.30 4.33 -1.99 -0.47 -1.63 116.97 117.81 2udp h TYR 96 Ca 0.15 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.75 2udp h TYR 96 Cb 0.32 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2udp h TYR 96 CO 0.02 0.44 -0.24 1.88 -0.00 0.00 0.00 178.16 180.26 2udp h TYR 97 N -0.12 0.64 0.31 4.88 0.05 -1.11 0.20 116.97 121.83 2udp h TYR 97 Ca 0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2udp h TYR 97 Cb 0.37 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2udp h TYR 97 CO 0.04 0.76 -0.15 0.22 -1.05 0.00 0.00 178.16 177.98 2udp h ASP 98 N 0.50 -0.35 -0.31 3.88 3.58 -0.87 0.42 116.42 123.27 2udp h ASP 98 Ca 0.07 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2udp h ASP 98 Cb 0.68 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2udp h ASP 98 CO 0.05 -0.05 0.01 0.78 -2.88 0.00 0.00 179.24 177.15 2udp h ASN 99 N -0.67 0.53 0.00 2.28 2.35 -1.26 0.58 115.58 119.39 2udp h ASN 99 Ca -0.04 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 2udp h ASN 99 Cb 0.47 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2udp h ASN 99 CO 0.07 0.70 -0.17 0.78 -1.65 0.00 0.00 177.43 177.16 2udp h ASN 100 N 0.34 0.00 0.32 5.81 2.35 -0.59 -3.01 115.58 120.80 2udp h ASN 100 Ca 0.09 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 2udp h ASN 100 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2udp h ASN 100 CO 0.01 0.78 -0.15 0.58 -1.65 0.00 0.00 177.43 177.00 2udp h VAL 101 N -1.00 0.08 -0.20 2.81 2.07 -0.36 -2.84 116.25 116.81 2udp h VAL 101 Ca -0.03 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 2udp h VAL 101 Cb 0.50 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2udp h VAL 101 CO -0.02 0.02 -0.43 -1.13 0.02 0.00 0.00 177.57 176.03 2udp h ASN 102 N -1.10 0.52 -0.49 0.57 -1.24 -0.68 -1.35 115.58 111.81 2udp h ASN 102 Ca -0.04 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.72 2udp h ASN 102 Cb 0.36 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2udp h ASN 102 CO 0.07 0.88 0.27 1.23 -1.29 0.00 0.00 177.43 178.60 2udp h GLY 103 N 1.11 0.73 1.01 1.57 0.00 0.30 0.37 103.07 108.17 2udp h GLY 103 Ca 0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 2udp h GLY 103 CO 0.08 0.32 -0.01 -0.84 0.00 0.00 0.00 176.54 176.09 2udp h THR 104 N 0.65 1.26 -0.56 4.70 2.02 -1.33 -2.59 112.91 117.06 2udp h THR 104 Ca 0.17 -1.09 0.09 0.00 0.77 0.00 0.00 66.41 66.36 2udp h THR 104 Cb 0.05 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 2udp h THR 104 CO -0.03 0.38 0.16 0.25 0.37 0.00 0.00 175.52 176.66 2udp h LEU 105 N 0.74 0.11 -0.52 2.58 5.85 -0.88 -1.05 115.31 122.13 2udp h LEU 105 Ca 0.14 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2udp h LEU 105 Cb 0.53 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2udp h LEU 105 CO 0.03 0.08 0.23 0.03 -0.34 0.00 0.00 178.44 178.46 2udp h ARG 106 N 0.32 0.77 -0.06 1.25 2.47 -0.84 -1.02 114.38 117.28 2udp h ARG 106 Ca 0.29 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2udp h ARG 106 Cb 0.38 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2udp h ARG 106 CO -0.33 0.66 0.01 1.25 0.56 0.00 0.00 179.97 182.13 2udp h LEU 107 N 0.70 0.08 -1.15 3.04 5.85 -1.03 -1.03 115.31 121.77 2udp h LEU 107 Ca 0.18 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2udp h LEU 107 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2udp h LEU 107 CO -0.02 0.28 -0.13 0.16 -0.34 0.00 0.00 178.44 178.39 2udp h ILE 108 N -0.12 1.22 -0.64 4.05 3.07 -1.21 0.67 117.51 124.56 2udp h ILE 108 Ca 0.02 -0.98 -0.02 0.00 1.55 0.00 0.00 64.86 65.43 2udp h ILE 108 Cb 0.23 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 37.92 2udp h ILE 108 CO -0.00 0.32 0.33 0.28 -1.05 0.00 0.00 178.15 178.03 2udp h SER 109 N 0.41 0.80 -0.26 2.16 0.02 -0.97 0.36 113.55 116.07 2udp h SER 109 Ca 0.08 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2udp h SER 109 Cb 0.48 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2udp h SER 109 CO 0.03 0.66 -0.52 0.00 -1.14 0.00 0.00 176.83 175.86 2udp h ALA 110 N 1.47 0.41 -0.91 3.77 0.00 -0.53 -1.92 119.26 121.55 2udp h ALA 110 Ca 0.23 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2udp h ALA 110 Cb 0.06 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2udp h ALA 110 CO -0.03 0.61 0.56 0.52 0.00 0.00 0.00 179.25 180.91 2udp h MET 111 N 0.57 0.95 -0.25 0.00 2.07 -0.40 0.60 114.93 118.47 2udp h MET 111 Ca 0.01 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 2udp h MET 111 Cb 1.13 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.63 2udp h MET 111 CO 0.12 0.63 0.13 0.00 1.07 0.00 0.00 176.91 178.86 2udp h ARG 112 N 0.98 0.34 -0.38 1.72 2.47 -0.80 0.11 114.38 118.83 2udp h ARG 112 Ca 0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2udp h ARG 112 Cb 0.28 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2udp h ARG 112 CO -0.21 0.31 0.24 0.00 0.56 0.00 0.00 179.97 180.88 2udp h ALA 113 N 1.01 1.72 -0.02 0.04 0.00 -0.29 -2.53 119.26 119.20 2udp h ALA 113 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2udp h ALA 113 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2udp h ALA 113 CO -0.01 0.25 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 2udp n ALA 114 N -2.48 2.84 -2.91 0.00 0.00 0.04 -4.97 120.51 113.03 2udp n ALA 114 Ca 0.03 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.78 2udp n ALA 114 Cb 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.56 2udp n ALA 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2udp n ASN 115 N 0.28 -4.60 -4.81 0.00 5.15 0.14 -4.88 115.26 106.54 2udp n ASN 115 Ca 0.14 -0.24 -0.36 0.00 -0.60 0.00 0.00 54.58 53.52 2udp n ASN 115 Cb 0.44 -3.37 -0.07 0.00 -0.53 0.00 0.00 39.78 36.26 2udp n ASN 115 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2udp s VAL 116 N -3.04 5.41 -0.01 3.44 1.01 0.06 -4.99 120.40 122.28 2udp s VAL 116 Ca 0.26 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2udp s VAL 116 Cb -0.12 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2udp s VAL 116 CO 0.32 0.53 0.81 2.29 0.00 0.00 0.00 175.10 179.05 2udp n LYS 117 N 2.67 0.46 -4.30 2.72 2.85 -1.26 -4.33 118.16 116.96 2udp n LYS 117 Ca -0.17 -1.00 -0.34 0.00 -1.05 0.00 0.00 58.31 55.75 2udp n LYS 117 Cb 0.53 -0.65 -0.14 0.00 -0.65 0.00 0.00 35.03 34.12 2udp n LYS 117 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2udp s ASN 118 N -0.77 4.22 0.00 -5.58 0.01 -1.26 -1.30 114.94 110.27 2udp s ASN 118 Ca 0.03 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 2udp s ASN 118 Cb 0.03 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 2udp s ASN 118 CO 0.00 0.08 -0.01 0.12 -1.51 0.00 0.00 177.10 175.78 2udp s PHE 119 N 0.90 0.05 -0.12 2.20 5.36 -0.13 -1.63 117.98 124.61 2udp s PHE 119 Ca -0.02 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2udp s PHE 119 Cb -0.15 -0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 2udp s PHE 119 CO 0.00 -0.02 -0.11 0.42 -1.46 0.00 0.00 175.22 174.05 2udp s ILE 120 N -0.15 1.27 -0.12 3.12 1.01 0.10 -0.18 121.20 126.25 2udp s ILE 120 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2udp s ILE 120 Cb -0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2udp s ILE 120 CO -0.00 0.41 -0.05 0.12 0.00 0.00 0.00 174.94 175.42 2udp s PHE 121 N 1.47 3.00 -0.95 3.97 5.36 0.14 -0.58 117.98 130.40 2udp s PHE 121 Ca 0.02 -0.18 -0.24 0.00 -0.96 0.00 0.00 56.93 55.57 2udp s PHE 121 Cb -0.13 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 2udp s PHE 121 CO -0.07 0.10 1.65 -1.12 -1.46 0.00 0.00 175.22 174.32 2udp s SER 122 N -0.07 5.92 0.05 6.13 0.01 -1.12 -2.01 113.70 122.61 2udp s SER 122 Ca 0.01 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2udp s SER 122 Cb -0.13 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2udp s SER 122 CO 0.03 -2.03 0.00 -0.24 0.41 0.00 0.00 173.24 171.40 2udp n SER 123 N 11.01 0.00 -3.57 2.44 2.88 0.87 -4.98 113.62 122.28 2udp n SER 123 Ca 0.34 -0.19 -0.15 0.00 -1.33 0.00 0.00 58.87 57.54 2udp n SER 123 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2udp n SER 123 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2udp s SER 124 N -1.00 -0.60 0.64 -3.46 0.15 -1.26 -2.41 113.70 105.76 2udp s SER 124 Ca 0.00 0.83 0.40 0.00 0.70 0.00 0.00 55.95 57.88 2udp s SER 124 Cb 0.00 0.73 2.19 0.00 -1.71 0.00 0.00 66.02 67.23 2udp s SER 124 CO 0.00 -0.44 2.23 0.00 1.20 0.00 0.00 173.24 176.24 2udp h ALA 125 N 3.46 1.06 -0.00 5.45 0.00 -1.38 -2.05 119.26 125.81 2udp h ALA 125 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2udp h ALA 125 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2udp h ALA 125 CO 0.27 -0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.25 2udp h THR 126 N 0.00 0.64 -0.19 0.00 1.35 -1.94 -2.13 112.91 110.63 2udp h THR 126 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2udp h THR 126 Cb 0.12 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2udp h THR 126 CO 0.00 0.00 0.21 -0.37 -0.25 0.00 0.00 175.52 175.11 2udp h VAL 127 N 0.00 0.47 0.00 6.82 -1.51 -1.65 0.10 116.25 120.49 2udp h VAL 127 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2udp h VAL 127 Cb 0.00 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2udp h VAL 127 CO -0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 2udp n TYR 128 N -3.81 0.75 -4.21 5.19 4.01 -0.80 -1.54 117.16 116.75 2udp n TYR 128 Ca 0.02 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2udp n TYR 128 Cb 0.34 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 2udp n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2udp n GLY 129 N 0.36 0.97 2.96 2.72 0.00 0.36 -2.72 105.19 109.83 2udp n GLY 129 Ca 0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2udp n GLY 129 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2udp n ASP 130 N -3.16 4.14 -4.59 1.61 -0.08 -1.26 -4.90 116.55 108.31 2udp n ASP 130 Ca 0.00 -2.86 -0.42 0.00 -1.51 0.00 0.00 54.79 50.00 2udp n ASP 130 Cb 0.00 -1.68 -0.06 0.00 2.34 0.00 0.00 41.12 41.72 2udp n ASP 130 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2udp s GLN 131 N 3.48 3.85 0.25 -0.67 2.00 -1.24 -4.94 119.66 122.40 2udp s GLN 131 Ca 0.49 0.32 0.08 0.00 -2.00 0.00 0.00 55.36 54.25 2udp s GLN 131 Cb 0.11 -3.76 0.27 0.00 0.80 0.00 0.00 33.01 30.44 2udp s GLN 131 CO -0.04 -0.67 1.57 -1.00 -0.50 0.00 0.00 175.29 174.64 2udp h PRO 132 N 8.27 0.10 -6.16 1.67 0.13 -1.93 -3.43 132.00 130.65 2udp h PRO 132 Ca -0.26 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 2udp h PRO 132 Cb 1.11 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2udp h PRO 132 CO 0.84 0.71 0.84 0.15 -0.23 0.00 0.00 178.00 180.31 2udp s LYS 133 N -3.60 4.26 -0.01 0.86 1.02 -1.26 -5.02 119.74 115.99 2udp s LYS 133 Ca -0.02 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2udp s LYS 133 Cb 0.12 -3.70 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2udp s LYS 133 CO 0.78 -0.64 0.01 0.42 -0.92 0.00 0.00 175.35 175.00 2udp s ILE 134 N 3.19 0.03 0.85 2.17 1.01 -1.26 -4.08 121.20 123.10 2udp s ILE 134 Ca 0.52 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 2udp s ILE 134 Cb -0.21 -0.10 0.10 0.00 0.01 0.00 0.00 42.46 42.26 2udp s ILE 134 CO 0.14 0.07 1.16 -2.16 0.00 0.00 0.00 174.94 174.15 2udp s PRO 135 N 0.63 1.64 0.01 2.79 0.04 -1.26 -5.06 135.00 133.79 2udp s PRO 135 Ca -0.05 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 2udp s PRO 135 Cb -0.08 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2udp s PRO 135 CO -0.02 -1.84 1.17 0.71 0.04 0.00 0.00 177.00 177.06 2udp s TYR 136 N -3.45 3.39 -0.03 0.56 2.02 -0.84 -4.71 117.35 114.30 2udp s TYR 136 Ca 0.63 1.33 0.02 0.00 -0.37 0.00 0.00 57.07 58.68 2udp s TYR 136 Cb -0.13 -3.38 -0.03 0.00 -0.40 0.00 0.00 41.96 38.03 2udp s TYR 136 CO 0.51 -1.11 -0.08 0.08 -1.57 0.00 0.00 175.55 173.39 2udp s VAL 137 N 1.43 3.60 0.63 0.71 1.01 -1.26 -2.02 120.40 124.50 2udp s VAL 137 Ca 0.57 -0.65 0.37 0.00 0.00 0.00 0.00 61.98 62.27 2udp s VAL 137 Cb -0.27 -2.51 0.40 0.00 0.00 0.00 0.00 36.38 34.00 2udp s VAL 137 CO 0.27 0.50 2.31 -0.33 0.00 0.00 0.00 175.10 177.84 2udp h GLU 138 N 4.90 0.00 0.00 2.72 3.07 -1.93 -0.16 114.58 123.18 2udp h GLU 138 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2udp h GLU 138 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2udp h GLU 138 CO 0.53 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.80 2udp h SER 139 N 0.00 0.00 -4.00 1.42 4.64 -1.97 -3.46 113.55 110.18 2udp h SER 139 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2udp h SER 139 Cb 0.03 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.24 2udp h SER 139 CO -0.00 0.00 0.65 -0.36 -0.87 0.00 0.00 176.83 176.25 2udp s PHE 140 N -3.14 2.49 0.44 4.77 0.40 -0.07 -4.98 117.98 117.88 2udp s PHE 140 Ca 0.09 1.33 -0.22 0.00 -0.60 0.00 0.00 56.93 57.53 2udp s PHE 140 Cb 0.11 -3.82 -0.09 0.00 0.51 0.00 0.00 43.02 39.73 2udp s PHE 140 CO 0.59 -2.72 1.04 -2.14 0.70 0.00 0.00 175.22 172.69 2udp s PRO 141 N -2.55 4.00 0.47 0.24 0.02 -1.26 -4.97 135.00 130.95 2udp s PRO 141 Ca 0.63 1.44 -0.23 0.00 0.02 0.00 0.00 61.00 62.86 2udp s PRO 141 Cb -0.41 -2.34 -0.07 0.00 0.02 0.00 0.00 34.50 31.70 2udp s PRO 141 CO 0.52 -0.27 1.25 0.95 -0.33 0.00 0.00 177.00 179.11 2udp s THR 142 N -1.81 2.70 0.00 0.99 -4.23 -1.26 -4.90 115.64 107.13 2udp s THR 142 Ca 0.62 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 2udp s THR 142 Cb -0.19 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.36 2udp s THR 142 CO 0.24 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2udp n GLY 143 N 0.58 1.61 3.13 3.99 0.00 -0.59 -4.95 105.19 108.96 2udp n GLY 143 Ca 0.07 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 2udp n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2udp s THR 144 N 2.14 3.42 0.32 2.61 2.01 -1.26 -4.66 115.64 120.22 2udp s THR 144 Ca 0.00 -2.10 -0.29 0.00 0.31 0.00 0.00 61.69 59.61 2udp s THR 144 Cb 0.00 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 2udp s THR 144 CO 0.00 -0.72 1.44 -2.65 -0.69 0.00 0.00 174.62 172.01 2udp n PRO 145 N 4.54 2.42 -0.05 4.92 -0.02 -1.26 -4.45 135.00 141.09 2udp n PRO 145 Ca -0.02 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.16 2udp n PRO 145 Cb 0.41 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 2udp n PRO 145 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2udp h GLN 146 N 3.47 0.61 -6.44 -0.52 4.20 -1.94 -3.42 115.11 111.08 2udp h GLN 146 Ca -0.47 -0.43 -0.44 0.00 0.06 0.00 0.00 58.65 57.36 2udp h GLN 146 Cb 1.26 0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.12 2udp h GLN 146 CO 0.69 1.05 -0.27 -1.54 -0.67 0.00 0.00 178.83 178.10 2udp s SER 147 N -6.68 5.90 0.39 1.46 1.04 -1.26 -4.97 113.70 109.58 2udp s SER 147 Ca -0.12 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.31 2udp s SER 147 Cb 0.07 -1.28 0.80 0.00 0.10 0.00 0.00 66.02 65.71 2udp s SER 147 CO 0.84 -0.53 2.00 -0.65 0.98 0.00 0.00 173.24 175.87 2udp h PRO 148 N 0.73 0.49 0.37 4.02 0.11 -1.89 0.16 132.00 135.99 2udp h PRO 148 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2udp h PRO 148 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2udp h PRO 148 CO 0.54 0.40 -0.29 -0.92 -0.21 0.00 0.00 178.00 177.52 2udp h TYR 149 N 0.50 -0.77 -0.78 0.65 3.20 -1.86 0.13 116.97 118.03 2udp h TYR 149 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2udp h TYR 149 Cb 0.08 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2udp h TYR 149 CO 0.00 -0.43 0.50 0.78 -1.64 0.00 0.00 178.16 177.37 2udp h GLY 150 N -0.66 1.14 0.96 1.82 0.00 -1.77 -2.42 103.07 102.14 2udp h GLY 150 Ca -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2udp h GLY 150 CO -0.01 0.32 0.11 0.50 0.00 0.00 0.00 176.54 177.45 2udp h LYS 151 N 0.97 0.73 -0.82 4.80 1.57 -0.31 -2.53 116.57 120.98 2udp h LYS 151 Ca 0.32 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2udp h LYS 151 Cb 0.02 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 2udp h LYS 151 CO -0.12 0.72 0.54 0.66 -0.57 0.00 0.00 179.45 180.68 2udp h SER 152 N 0.60 0.77 -0.34 0.86 4.64 -0.27 0.64 113.55 120.46 2udp h SER 152 Ca 0.14 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 2udp h SER 152 Cb 0.32 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2udp h SER 152 CO 0.00 0.49 -0.09 0.11 -0.87 0.00 0.00 176.83 176.47 2udp h LYS 153 N 0.88 0.66 -0.64 4.77 1.79 -1.15 -1.74 116.57 121.14 2udp h LYS 153 Ca 0.36 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 2udp h LYS 153 Cb 0.27 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 2udp h LYS 153 CO -0.13 0.83 0.08 1.25 -1.08 0.00 0.00 179.45 180.40 2udp h LEU 154 N 0.44 1.02 -0.77 2.94 5.85 -1.13 -1.69 115.31 121.98 2udp h LEU 154 Ca 0.08 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2udp h LEU 154 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2udp h LEU 154 CO 0.04 1.03 0.45 0.24 -0.34 0.00 0.00 178.44 179.85 2udp h MET 155 N 0.99 1.06 -0.63 1.25 2.86 -0.77 -1.17 114.93 118.52 2udp h MET 155 Ca 0.19 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 2udp h MET 155 Cb 0.46 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2udp h MET 155 CO 0.02 0.76 0.02 0.28 1.06 0.00 0.00 176.91 179.04 2udp h VAL 156 N 1.06 1.27 0.03 -2.22 2.07 -1.08 -1.31 116.25 116.07 2udp h VAL 156 Ca 0.27 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.67 2udp h VAL 156 Cb -0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2udp h VAL 156 CO -0.05 0.42 -0.19 -0.33 0.02 0.00 0.00 177.57 177.44 2udp h GLU 157 N 1.00 -0.31 -0.58 1.57 5.08 -0.30 -0.51 114.58 120.52 2udp h GLU 157 Ca 0.18 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 2udp h GLU 157 Cb 0.55 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2udp h GLU 157 CO 0.03 -0.21 0.20 1.96 -1.00 0.00 0.00 179.01 179.99 2udp h GLN 158 N -0.32 0.35 -0.06 2.33 4.20 -1.15 0.64 115.11 121.10 2udp h GLN 158 Ca 0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2udp h GLN 158 Cb 0.38 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2udp h GLN 158 CO -0.16 0.23 0.03 0.82 -0.67 0.00 0.00 178.83 179.09 2udp h ILE 159 N 0.36 1.09 -0.65 2.54 2.04 -0.79 -0.01 117.51 122.09 2udp h ILE 159 Ca 0.29 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2udp h ILE 159 Cb 0.37 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2udp h ILE 159 CO -0.31 0.07 0.43 -0.07 0.00 0.00 0.00 178.15 178.27 2udp h LEU 160 N 0.01 0.61 -0.22 1.44 3.38 -0.77 0.17 115.31 119.92 2udp h LEU 160 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2udp h LEU 160 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2udp h LEU 160 CO -0.00 0.41 -0.00 0.74 0.09 0.00 0.00 178.44 179.67 2udp h THR 161 N 0.70 1.26 -0.55 0.22 2.02 -0.53 -0.38 112.91 115.65 2udp h THR 161 Ca 0.27 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 2udp h THR 161 Cb 0.19 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2udp h THR 161 CO -0.08 0.27 0.09 0.44 0.37 0.00 0.00 175.52 176.61 2udp h ASP 162 N 0.15 0.82 -0.80 4.18 3.32 -0.13 -2.51 116.42 121.45 2udp h ASP 162 Ca 0.06 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 2udp h ASP 162 Cb 0.41 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2udp h ASP 162 CO 0.01 0.84 0.33 0.25 -1.72 0.00 0.00 179.24 178.95 2udp h LEU 163 N 0.83 1.10 -1.22 1.55 5.85 -0.55 -2.23 115.31 120.65 2udp h LEU 163 Ca 0.17 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2udp h LEU 163 Cb 0.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2udp h LEU 163 CO 0.01 0.97 -0.30 -0.61 -0.34 0.00 0.00 178.44 178.16 2udp h GLN 164 N 1.16 0.00 -0.27 1.25 -0.00 -0.69 0.58 115.11 117.14 2udp h GLN 164 Ca 0.27 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.78 2udp h GLN 164 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.68 2udp h GLN 164 CO -0.02 0.30 -0.38 -0.22 0.00 0.00 0.00 178.83 178.51 2udp h LYS 165 N 0.00 0.73 0.00 1.69 3.64 -1.03 -2.34 116.57 119.26 2udp h LYS 165 Ca -0.00 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2udp h LYS 165 Cb 0.72 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2udp h LYS 165 CO 0.04 1.05 -0.04 0.00 -2.27 0.00 0.00 179.45 178.23 2udp h ALA 166 N 0.67 0.99 -2.22 5.00 0.00 -0.96 -3.36 119.26 119.38 2udp h ALA 166 Ca 0.03 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2udp h ALA 166 Cb 0.97 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.36 2udp h ALA 166 CO 0.09 0.05 -1.00 1.04 0.00 0.00 0.00 179.25 179.43 2udp n GLN 167 N -3.12 0.63 0.00 0.00 1.13 0.16 -4.98 117.38 111.19 2udp n GLN 167 Ca 0.02 -3.34 0.02 0.00 -1.94 0.00 0.00 57.00 51.76 2udp n GLN 167 Cb 0.43 -1.52 0.09 0.00 0.11 0.00 0.00 30.24 29.35 2udp n GLN 167 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2udp n PRO 168 N 2.04 0.03 0.08 -1.09 -0.04 -0.89 -1.82 135.00 133.31 2udp n PRO 168 Ca 0.25 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2udp n PRO 168 Cb 0.49 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.89 2udp n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2udp n ASP 169 N -1.37 0.64 -4.76 3.54 5.75 -1.26 -4.53 116.55 114.56 2udp n ASP 169 Ca 0.01 0.54 -0.40 0.00 -0.01 0.00 0.00 54.79 54.93 2udp n ASP 169 Cb 0.04 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.39 2udp n ASP 169 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2udp s TRP 170 N -3.08 3.61 -0.36 2.11 0.52 -0.76 -4.55 118.94 116.43 2udp s TRP 170 Ca 0.11 1.72 -0.11 0.00 0.02 0.00 0.00 56.10 57.85 2udp s TRP 170 Cb 0.14 -3.24 0.02 0.00 -1.15 0.00 0.00 33.47 29.24 2udp s TRP 170 CO 0.59 -0.43 0.20 0.45 0.02 0.00 0.00 176.95 177.77 2udp s SER 171 N -0.95 5.70 -0.18 2.95 0.15 -0.42 -1.24 113.70 119.71 2udp s SER 171 Ca 0.45 -0.92 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 2udp s SER 171 Cb -0.31 -2.02 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2udp s SER 171 CO 0.39 -0.35 -0.15 -0.63 1.20 0.00 0.00 173.24 173.70 2udp s ILE 172 N 1.56 2.50 -0.26 6.45 1.01 -0.15 -0.95 121.20 131.37 2udp s ILE 172 Ca 0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 2udp s ILE 172 Cb -0.19 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2udp s ILE 172 CO 0.07 0.51 0.13 0.00 0.00 0.00 0.00 174.94 175.65 2udp s ALA 173 N 1.21 3.41 -0.70 9.38 0.00 0.74 -0.22 121.76 135.57 2udp s ALA 173 Ca 0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 2udp s ALA 173 Cb -0.14 -2.28 0.18 0.00 0.00 0.00 0.00 23.12 20.88 2udp s ALA 173 CO -0.07 -0.42 0.64 -0.51 0.00 0.00 0.00 175.76 175.40 2udp s LEU 174 N 1.49 6.48 -0.50 0.00 1.43 0.96 0.25 118.68 128.80 2udp s LEU 174 Ca 0.06 -2.31 -0.19 0.00 -1.03 0.00 0.00 54.13 50.67 2udp s LEU 174 Cb -0.15 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2udp s LEU 174 CO 0.07 -0.69 0.60 -0.76 0.23 0.00 0.00 176.35 175.79 2udp s LEU 175 N 0.78 5.00 -0.51 1.79 1.43 -0.85 -0.58 118.68 125.74 2udp s LEU 175 Ca 0.11 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 52.07 2udp s LEU 175 Cb -0.19 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2udp s LEU 175 CO -0.04 -0.85 0.86 -0.13 0.23 0.00 0.00 176.35 176.42 2udp s ARG 176 N 2.52 3.34 0.37 1.70 0.52 0.14 -0.09 118.95 127.46 2udp s ARG 176 Ca 0.14 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 54.87 2udp s ARG 176 Cb -0.19 -4.02 -0.10 0.00 0.52 0.00 0.00 34.95 31.16 2udp s ARG 176 CO 0.12 -1.33 0.92 0.71 0.02 0.00 0.00 175.30 175.73 2udp s TYR 177 N 3.60 3.48 0.00 -0.53 2.02 -1.01 -1.13 117.35 123.78 2udp s TYR 177 Ca 0.29 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 2udp s TYR 177 Cb -0.13 -2.84 0.00 0.00 -0.40 0.00 0.00 41.96 38.59 2udp s TYR 177 CO 0.20 0.05 0.00 1.19 -1.57 0.00 0.00 175.55 175.42 2udp n PHE 178 N -0.08 0.00 -3.77 2.71 3.01 -1.25 -1.10 117.46 116.98 2udp n PHE 178 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 2udp n PHE 178 Cb 0.52 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.86 2udp n PHE 178 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2udp s ASN 179 N -1.00 3.86 0.11 4.37 -0.87 -0.70 -4.89 114.94 115.82 2udp s ASN 179 Ca 0.00 -2.56 -0.30 0.00 -1.57 0.00 0.00 52.86 48.43 2udp s ASN 179 Cb 0.00 -1.15 -0.07 0.00 -0.02 0.00 0.00 41.25 40.01 2udp s ASN 179 CO 0.00 -0.28 1.21 -2.84 -2.57 0.00 0.00 177.10 172.62 2udp s PRO 180 N 0.41 4.45 0.24 -0.60 0.02 -1.26 0.95 135.00 139.21 2udp s PRO 180 Ca 0.16 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 2udp s PRO 180 Cb -0.24 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 30.97 2udp s PRO 180 CO -0.03 -0.21 0.44 0.14 -0.33 0.00 0.00 177.00 177.01 2udp s VAL 181 N 0.67 0.00 0.00 3.83 -7.23 0.12 -4.85 120.40 112.95 2udp s VAL 181 Ca 0.57 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 2udp s VAL 181 Cb -0.31 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2udp s VAL 181 CO 0.32 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 2udp n GLY 182 N -0.37 -2.99 3.49 2.32 0.00 -1.25 -0.98 105.19 105.40 2udp n GLY 182 Ca -0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 2udp n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2udp s ALA 183 N -1.32 -1.72 0.15 4.61 0.00 -1.26 -4.53 121.76 117.69 2udp s ALA 183 Ca 0.00 0.77 -0.34 0.00 0.00 0.00 0.00 51.96 52.38 2udp s ALA 183 Cb 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 23.12 23.58 2udp s ALA 183 CO 0.00 -0.74 1.36 1.58 0.00 0.00 0.00 175.76 177.96 2udp n HIS 184 N -0.31 1.73 0.25 0.00 -0.00 -1.17 -4.79 115.22 110.92 2udp n HIS 184 Ca -0.12 0.54 0.13 0.00 0.46 0.00 0.00 57.72 58.72 2udp n HIS 184 Cb 0.63 -2.38 0.67 0.00 -0.12 0.00 0.00 29.99 28.79 2udp n HIS 184 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2udp h PRO 185 N 4.49 0.00 0.00 1.57 0.11 -1.92 -1.22 132.00 135.03 2udp h PRO 185 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2udp h PRO 185 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2udp h PRO 185 CO 0.78 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 2udp h SER 186 N 0.00 0.00 -0.05 -2.05 4.64 -1.92 -3.46 113.55 110.71 2udp h SER 186 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2udp h SER 186 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2udp h SER 186 CO 0.00 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.55 2udp n GLY 187 N -0.25 0.36 0.20 -0.77 0.00 -0.46 -4.87 105.19 99.40 2udp n GLY 187 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2udp n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2udp n ASP 188 N -0.38 1.18 -4.03 1.61 8.00 -1.26 -4.24 116.55 117.43 2udp n ASP 188 Ca -0.01 -1.09 -0.16 0.00 0.71 0.00 0.00 54.79 54.24 2udp n ASP 188 Cb 0.25 0.68 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 2udp n ASP 188 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2udp s MET 189 N -1.98 0.57 -0.02 -1.24 -1.94 -1.26 -5.03 119.30 108.39 2udp s MET 189 Ca 0.09 -0.48 -0.24 0.00 -1.71 0.00 0.00 55.69 53.35 2udp s MET 189 Cb 0.11 -0.48 0.08 0.00 2.01 0.00 0.00 34.83 36.55 2udp s MET 189 CO 0.45 0.12 1.08 0.41 -0.01 0.00 0.00 175.02 177.06 2udp n GLY 190 N 2.27 0.28 3.73 -0.03 0.00 -1.26 -3.06 105.19 107.12 2udp n GLY 190 Ca -0.17 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2udp n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2udp s GLU 191 N -2.01 4.38 -0.48 1.61 2.12 -1.26 -4.91 118.70 118.14 2udp s GLU 191 Ca 0.25 2.03 0.06 0.00 0.36 0.00 0.00 54.97 57.67 2udp s GLU 191 Cb -0.01 -3.22 0.21 0.00 0.26 0.00 0.00 34.13 31.37 2udp s GLU 191 CO -0.01 -0.30 0.48 -3.47 -0.54 0.00 0.00 175.26 171.42 2udp n ASP 192 N 3.12 0.88 -4.78 -1.70 2.03 -1.26 -4.98 116.55 109.85 2udp n ASP 192 Ca 0.08 -2.76 -0.36 0.00 0.52 0.00 0.00 54.79 52.27 2udp n ASP 192 Cb 0.43 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 2udp n ASP 192 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2udp s PRO 193 N -0.94 3.81 -0.27 -0.67 0.04 -1.26 -4.96 135.00 130.74 2udp s PRO 193 Ca 0.33 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 2udp s PRO 193 Cb 0.08 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2udp s PRO 193 CO -0.14 -0.48 0.17 -0.65 0.04 0.00 0.00 177.00 175.94 2udp s GLN 194 N -2.79 3.91 1.94 4.56 -1.52 -1.26 -4.96 119.66 119.55 2udp s GLN 194 Ca 0.64 -0.34 0.00 0.00 -1.95 0.00 0.00 55.36 53.71 2udp s GLN 194 Cb -0.25 -3.61 0.00 0.00 -0.22 0.00 0.00 33.01 28.94 2udp s GLN 194 CO 0.30 -0.17 0.00 0.41 -0.25 0.00 0.00 175.29 175.58 2udp n GLY 195 N 5.00 -0.53 3.66 3.09 0.00 -1.26 -4.79 105.19 110.37 2udp n GLY 195 Ca -0.14 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 2udp n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2udp s ILE 196 N 0.00 3.91 0.12 -0.61 1.01 -1.26 -4.95 121.20 119.43 2udp s ILE 196 Ca 0.00 1.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.44 2udp s ILE 196 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 2udp s ILE 196 CO 0.00 -0.11 1.54 -2.84 0.00 0.00 0.00 174.94 173.53 2udp s PRO 197 N 3.83 4.24 0.17 2.79 0.02 -1.26 -4.91 135.00 139.88 2udp s PRO 197 Ca 0.65 2.27 -0.01 0.00 0.02 0.00 0.00 61.00 63.93 2udp s PRO 197 Cb -0.27 -3.31 0.05 0.00 0.02 0.00 0.00 34.50 30.99 2udp s PRO 197 CO 0.23 -0.60 1.42 -0.91 -0.33 0.00 0.00 177.00 176.81 2udp h ASN 198 N 7.23 0.43 -3.68 2.53 -0.26 -1.95 -3.44 115.58 116.45 2udp h ASN 198 Ca -0.42 -0.30 -0.49 0.00 -0.56 0.00 0.00 56.30 54.53 2udp h ASN 198 Cb 1.20 -0.13 0.04 0.00 -1.06 0.00 0.00 38.32 38.38 2udp h ASN 198 CO 0.91 1.05 0.16 0.20 -1.06 0.00 0.00 177.43 178.69 2udp s ASN 199 N -6.97 6.04 0.00 5.81 0.02 -1.26 -5.00 114.94 113.58 2udp s ASN 199 Ca -0.05 0.91 0.00 0.00 -1.02 0.00 0.00 52.86 52.70 2udp s ASN 199 Cb 0.10 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 39.28 2udp s ASN 199 CO 0.84 -0.77 0.93 -0.11 0.02 0.00 0.00 177.10 178.02 2udp n LEU 200 N -2.42 0.00 -0.20 0.60 7.94 -1.26 -2.06 117.00 119.60 2udp n LEU 200 Ca 0.02 0.94 -0.07 0.00 -1.11 0.00 0.00 56.01 55.79 2udp n LEU 200 Cb 0.56 -0.44 -0.01 0.00 0.53 0.00 0.00 43.42 44.06 2udp n LEU 200 CO 0.54 -0.44 0.60 -0.03 -1.11 0.00 0.00 177.39 176.95 2udp h MET 201 N 0.00 -0.19 -0.83 1.96 4.05 -1.96 0.28 114.93 118.23 2udp h MET 201 Ca 0.00 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 2udp h MET 201 Cb 0.00 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.78 2udp h MET 201 CO 0.00 -0.12 0.54 -1.00 0.23 0.00 0.00 176.91 176.56 2udp h PRO 202 N -0.19 0.78 -0.29 0.39 0.13 -1.98 -1.12 132.00 129.72 2udp h PRO 202 Ca 0.21 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2udp h PRO 202 Cb 0.56 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2udp h PRO 202 CO -0.69 0.52 0.16 -0.92 -0.23 0.00 0.00 178.00 176.84 2udp h TYR 203 N 0.80 0.41 -0.75 1.56 5.03 0.12 -2.04 116.97 122.09 2udp h TYR 203 Ca 0.38 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.67 2udp h TYR 203 Cb 0.41 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 2udp h TYR 203 CO -0.00 0.34 0.44 0.82 -1.32 0.00 0.00 178.16 178.44 2udp h ILE 204 N 0.36 1.22 -0.42 1.81 2.04 -0.85 -1.84 117.51 119.83 2udp h ILE 204 Ca 0.10 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2udp h ILE 204 Cb 0.07 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2udp h ILE 204 CO -0.02 0.23 0.19 0.00 0.00 0.00 0.00 178.15 178.55 2udp h ALA 205 N 1.23 0.54 -0.49 1.87 0.00 -0.85 -0.46 119.26 121.11 2udp h ALA 205 Ca 0.27 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2udp h ALA 205 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2udp h ALA 205 CO -0.05 0.13 -0.01 1.96 0.00 0.00 0.00 179.25 181.28 2udp h GLN 206 N 0.54 0.82 0.30 0.00 4.20 -1.29 -0.82 115.11 118.86 2udp h GLN 206 Ca 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2udp h GLN 206 Cb 0.15 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2udp h GLN 206 CO -0.02 0.83 -0.43 0.28 -0.67 0.00 0.00 178.83 178.83 2udp h VAL 207 N 0.76 0.14 -0.46 -0.54 2.07 -0.90 2.44 116.25 119.77 2udp h VAL 207 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.76 2udp h VAL 207 Cb 0.47 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2udp h VAL 207 CO 0.02 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.93 2udp h ALA 208 N -0.42 2.18 -0.11 1.67 0.00 -0.78 0.44 119.26 122.24 2udp h ALA 208 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2udp h ALA 208 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2udp h ALA 208 CO -0.14 -0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.14 2udp n VAL 209 N -4.45 0.13 -1.56 0.00 0.24 -0.34 -4.94 118.33 107.41 2udp n VAL 209 Ca 0.07 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2udp n VAL 209 Cb 0.40 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 2udp n VAL 209 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2udp n GLY 210 N 1.25 0.69 0.07 7.63 0.00 0.15 -4.95 105.19 110.02 2udp n GLY 210 Ca 0.17 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2udp n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2udp n ARG 211 N -1.09 0.28 -3.90 1.61 0.63 0.81 -4.89 116.66 110.11 2udp n ARG 211 Ca 0.00 0.10 -0.11 0.00 -0.92 0.00 0.00 57.85 56.92 2udp n ARG 211 Cb 0.38 -1.70 -0.11 0.00 0.45 0.00 0.00 32.46 31.48 2udp n ARG 211 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2udp s ARG 212 N -3.16 0.32 0.05 -0.14 0.52 -1.09 -4.91 118.95 110.55 2udp s ARG 212 Ca 0.07 -0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 54.69 2udp s ARG 212 Cb 0.13 0.13 -0.17 0.00 0.52 0.00 0.00 34.95 35.56 2udp s ARG 212 CO 0.71 -0.07 1.52 -0.44 0.02 0.00 0.00 175.30 177.04 2udp h ASP 213 N 4.88 -0.27 -4.22 0.23 5.19 -1.90 -3.38 116.42 116.95 2udp h ASP 213 Ca -0.29 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2udp h ASP 213 Cb 1.20 0.07 -0.22 0.00 0.18 0.00 0.00 39.33 40.57 2udp h ASP 213 CO 0.42 -0.06 0.27 -0.55 -3.12 0.00 0.00 179.24 176.21 2udp s SER 214 N -5.05 -0.61 -0.12 6.45 0.15 -1.26 -4.79 113.70 108.48 2udp s SER 214 Ca -0.15 0.93 -0.29 0.00 0.70 0.00 0.00 55.95 57.14 2udp s SER 214 Cb 0.04 0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 65.18 2udp s SER 214 CO 0.62 -0.37 1.41 -0.22 1.20 0.00 0.00 173.24 175.89 2udp s LEU 215 N -0.41 4.24 -0.30 3.45 2.96 1.99 -4.85 118.68 125.76 2udp s LEU 215 Ca -0.03 1.90 -0.22 0.00 -0.22 0.00 0.00 54.13 55.56 2udp s LEU 215 Cb -0.03 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 2udp s LEU 215 CO 0.03 -0.82 0.71 0.00 -1.32 0.00 0.00 176.35 174.94 2udp s ALA 216 N 3.70 3.54 -0.37 5.97 0.00 -1.26 -0.78 121.76 132.55 2udp s ALA 216 Ca 0.62 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2udp s ALA 216 Cb -0.26 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2udp s ALA 216 CO 0.20 -1.10 0.72 0.42 0.00 0.00 0.00 175.76 176.01 2udp s ILE 217 N 2.76 4.79 -0.60 0.00 1.01 0.62 -4.86 121.20 124.93 2udp s ILE 217 Ca 0.29 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.36 2udp s ILE 217 Cb -0.15 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2udp s ILE 217 CO 0.12 -0.42 1.28 -0.36 0.00 0.00 0.00 174.94 175.55 2udp s PHE 218 N 2.96 2.46 0.00 3.97 0.08 -1.26 -0.59 117.98 125.60 2udp s PHE 218 Ca 0.28 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.70 2udp s PHE 218 Cb -0.14 -4.49 0.00 0.00 -0.57 0.00 0.00 43.02 37.82 2udp s PHE 218 CO 0.17 -1.78 0.00 0.41 -0.10 0.00 0.00 175.22 173.92 2udp n GLY 219 N 5.17 -2.94 0.00 4.36 0.00 0.93 -4.33 105.19 108.37 2udp n GLY 219 Ca 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2udp n GLY 219 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2udp n ASN 220 N -1.07 0.69 -0.63 1.61 6.94 -1.26 -4.59 115.26 116.94 2udp n ASN 220 Ca 0.00 -1.32 0.06 0.00 -0.02 0.00 0.00 54.58 53.30 2udp n ASN 220 Cb 0.00 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 37.60 2udp n ASN 220 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2udp n ASP 221 N -0.16 1.68 -4.77 0.53 5.75 -1.12 -4.43 116.55 114.04 2udp n ASP 221 Ca 0.00 -3.61 -0.33 0.00 -0.01 0.00 0.00 54.79 50.84 2udp n ASP 221 Cb 0.37 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 40.02 2udp n ASP 221 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2udp s TYR 222 N -2.84 2.61 -0.18 2.11 2.02 0.16 -4.86 117.35 116.37 2udp s TYR 222 Ca 0.36 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.58 2udp s TYR 222 Cb 0.36 -3.16 -0.14 0.00 -0.40 0.00 0.00 41.96 38.62 2udp s TYR 222 CO -0.07 -1.72 2.30 -0.35 -1.57 0.00 0.00 175.55 174.14 2udp n PRO 223 N -2.56 1.36 -4.49 -1.71 -0.04 -1.26 -4.16 135.00 122.13 2udp n PRO 223 Ca 0.10 -0.76 -0.24 0.00 -0.04 0.00 0.00 63.50 62.57 2udp n PRO 223 Cb 0.52 -1.92 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 2udp n PRO 223 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2udp s THR 224 N 2.11 1.92 0.21 0.52 -4.23 -1.26 -5.00 115.64 109.91 2udp s THR 224 Ca 0.40 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 2udp s THR 224 Cb 0.17 -2.58 0.22 0.00 1.34 0.00 0.00 72.50 71.65 2udp s THR 224 CO -0.01 -0.23 1.61 -0.08 -0.54 0.00 0.00 174.62 175.38 2udp h GLU 225 N 2.13 -0.04 -0.02 3.99 4.81 -1.89 -1.76 114.58 121.79 2udp h GLU 225 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2udp h GLU 225 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2udp h GLU 225 CO 0.69 -0.03 -0.24 -0.40 -0.73 0.00 0.00 179.01 178.30 2udp n ASP 226 N -5.45 2.36 0.00 1.04 5.68 -1.26 -4.95 116.55 113.97 2udp n ASP 226 Ca 0.07 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 2udp n ASP 226 Cb 0.35 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 2udp n ASP 226 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2udp n GLY 227 N 1.38 2.24 3.95 6.12 0.00 -0.66 -4.93 105.19 113.28 2udp n GLY 227 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2udp n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2udp s THR 228 N -2.37 4.02 0.40 2.61 -4.23 -1.26 0.37 115.64 115.18 2udp s THR 228 Ca 0.00 -0.41 -0.27 0.00 -1.18 0.00 0.00 61.69 59.83 2udp s THR 228 Cb 0.00 -3.50 -0.10 0.00 1.34 0.00 0.00 72.50 70.24 2udp s THR 228 CO 0.00 -0.38 1.42 0.61 -0.54 0.00 0.00 174.62 175.73 2udp n GLY 229 N -2.14 0.98 3.45 3.99 0.00 -1.26 -4.72 105.19 105.50 2udp n GLY 229 Ca 0.02 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2udp n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2udp s VAL 230 N -1.15 3.16 0.07 1.61 1.01 0.13 -1.98 120.40 123.25 2udp s VAL 230 Ca 0.57 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2udp s VAL 230 Cb -0.48 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2udp s VAL 230 CO 0.61 0.56 0.21 -0.13 0.00 0.00 0.00 175.10 176.35 2udp s ARG 231 N -0.27 0.79 -0.79 2.72 1.81 -0.29 -2.60 118.95 120.32 2udp s ARG 231 Ca 0.02 -0.80 -0.18 0.00 -1.72 0.00 0.00 55.73 53.05 2udp s ARG 231 Cb -0.13 0.33 0.15 0.00 -0.45 0.00 0.00 34.95 34.84 2udp s ARG 231 CO 0.03 -0.25 0.89 0.34 -0.68 0.00 0.00 175.30 175.63 2udp s ASP 232 N -2.53 6.52 0.04 0.23 -1.08 -1.21 -0.16 116.67 118.48 2udp s ASP 232 Ca 0.01 -2.01 -0.29 0.00 -0.52 0.00 0.00 52.55 49.74 2udp s ASP 232 Cb 0.02 -2.32 -0.04 0.00 -1.46 0.00 0.00 42.92 39.12 2udp s ASP 232 CO -0.08 -0.95 0.93 -0.31 0.52 0.00 0.00 175.17 175.27 2udp s TYR 233 N 2.02 3.72 -0.04 -5.34 2.02 -1.26 -1.72 117.35 116.75 2udp s TYR 233 Ca 0.22 1.68 0.03 0.00 -0.37 0.00 0.00 57.07 58.63 2udp s TYR 233 Cb -0.13 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 2udp s TYR 233 CO -0.04 0.11 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.42 2udp s ILE 234 N 0.52 1.10 0.11 2.71 2.07 0.27 -4.45 121.20 123.53 2udp s ILE 234 Ca 0.48 -0.53 -0.31 0.00 -1.41 0.00 0.00 60.65 58.88 2udp s ILE 234 Cb -0.22 -0.97 -0.09 0.00 0.13 0.00 0.00 42.46 41.32 2udp s ILE 234 CO 0.27 0.33 1.55 -2.28 -1.91 0.00 0.00 174.94 172.91 2udp s HIS 235 N 0.17 2.85 0.59 3.50 5.65 -1.25 0.15 115.29 126.96 2udp s HIS 235 Ca -0.05 0.59 0.29 0.00 0.25 0.00 0.00 55.06 56.15 2udp s HIS 235 Cb -0.11 -3.88 1.68 0.00 -1.18 0.00 0.00 32.58 29.10 2udp s HIS 235 CO 0.01 -3.32 2.10 -0.24 -0.65 0.00 0.00 174.74 172.65 2udp h VAL 236 N 4.41 0.44 -0.23 0.89 3.04 -1.34 -0.37 116.25 123.09 2udp h VAL 236 Ca -0.42 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.07 2udp h VAL 236 Cb 1.20 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2udp h VAL 236 CO 0.91 0.00 -0.65 0.24 -1.01 0.00 0.00 177.57 177.06 2udp h MET 237 N 0.00 0.83 -0.64 4.17 2.86 -1.90 0.00 114.93 120.26 2udp h MET 237 Ca 0.08 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 2udp h MET 237 Cb 0.48 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 2udp h MET 237 CO -0.00 1.21 0.29 -0.44 1.06 0.00 0.00 176.91 179.03 2udp h ASP 238 N 0.61 0.85 -0.23 1.22 3.32 -1.50 -0.55 116.42 120.14 2udp h ASP 238 Ca -0.01 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2udp h ASP 238 Cb 1.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2udp h ASP 238 CO 0.14 0.76 0.13 0.25 -1.72 0.00 0.00 179.24 178.79 2udp h LEU 239 N 0.88 0.28 -0.32 1.55 5.85 -1.16 -1.18 115.31 121.21 2udp h LEU 239 Ca 0.22 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2udp h LEU 239 Cb 0.14 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2udp h LEU 239 CO -0.02 0.28 -0.11 0.00 -0.34 0.00 0.00 178.44 178.25 2udp h ALA 240 N 1.01 0.18 -0.60 1.25 0.00 -0.74 -1.79 119.26 118.58 2udp h ALA 240 Ca 0.08 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2udp h ALA 240 Cb 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2udp h ALA 240 CO -0.01 -0.49 0.27 -0.44 0.00 0.00 0.00 179.25 178.58 2udp h ASP 241 N -0.04 0.35 -0.21 0.00 3.32 -0.79 -0.31 116.42 118.73 2udp h ASP 241 Ca 0.16 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.32 2udp h ASP 241 Cb 0.28 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2udp h ASP 241 CO -0.35 0.22 0.16 1.23 -1.72 0.00 0.00 179.24 178.77 2udp h GLY 242 N 0.50 0.00 0.95 2.75 0.00 -0.39 -1.62 103.07 105.26 2udp h GLY 242 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.43 2udp h GLY 242 CO -0.23 0.00 -0.66 0.45 0.00 0.00 0.00 176.54 176.09 2udp h HIS 243 N 0.00 0.79 -0.52 5.60 3.86 -0.47 -1.14 115.15 123.27 2udp h HIS 243 Ca 0.10 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2udp h HIS 243 Cb 0.41 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2udp h HIS 243 CO 0.00 1.19 0.27 0.28 0.86 0.00 0.00 177.93 180.53 2udp h VAL 244 N 0.16 1.19 0.08 2.45 2.07 -0.97 0.32 116.25 121.54 2udp h VAL 244 Ca -0.07 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2udp h VAL 244 Cb 1.33 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2udp h VAL 244 CO 0.13 0.20 -0.04 0.58 0.02 0.00 0.00 177.57 178.47 2udp h VAL 245 N 0.70 0.93 -0.25 2.57 2.07 -1.38 0.48 116.25 121.38 2udp h VAL 245 Ca 0.18 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.69 2udp h VAL 245 Cb 0.08 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2udp h VAL 245 CO -0.03 0.01 0.12 0.00 0.02 0.00 0.00 177.57 177.70 2udp h ALA 246 N 0.80 0.30 -0.01 1.67 0.00 -0.85 0.63 119.26 121.80 2udp h ALA 246 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2udp h ALA 246 Cb 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2udp h ALA 246 CO 0.02 -0.27 0.01 1.98 0.00 0.00 0.00 179.25 180.98 2udp h MET 247 N 0.27 0.02 -0.45 0.00 -1.53 -0.23 0.54 114.93 113.55 2udp h MET 247 Ca 0.10 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 2udp h MET 247 Cb 0.03 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.05 2udp h MET 247 CO -0.07 0.01 0.15 0.93 0.14 0.00 0.00 176.91 178.08 2udp h GLU 248 N 0.02 0.69 -0.03 0.39 5.08 0.38 -2.74 114.58 118.37 2udp h GLU 248 Ca 0.00 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.03 2udp h GLU 248 Cb -0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2udp h GLU 248 CO -0.00 0.65 -0.82 0.87 -1.00 0.00 0.00 179.01 178.71 2udp h LYS 249 N 0.59 0.34 0.00 2.33 1.57 0.44 -3.36 116.57 118.47 2udp h LYS 249 Ca 0.15 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2udp h LYS 249 Cb 0.24 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2udp h LYS 249 CO -0.01 0.99 -1.14 1.28 -0.57 0.00 0.00 179.45 180.00 2udp n LEU 250 N -3.77 0.58 -4.62 2.94 4.77 0.19 -4.86 117.00 112.24 2udp n LEU 250 Ca -0.05 -0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.42 2udp n LEU 250 Cb 0.76 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2udp n LEU 250 CO 0.49 0.04 0.92 0.00 -1.33 0.00 0.00 177.39 177.51 2udp n ALA 251 N -1.87 0.14 -1.07 -1.18 0.00 -1.04 -1.28 120.51 114.22 2udp n ALA 251 Ca 0.01 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 2udp n ALA 251 Cb 0.45 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 2udp n ALA 251 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2udp n ASN 252 N 2.38 -4.26 -4.16 0.00 3.02 -1.26 -4.95 115.26 106.03 2udp n ASN 252 Ca 0.15 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 2udp n ASN 252 Cb 0.26 -1.98 -0.08 0.00 -0.61 0.00 0.00 39.78 37.37 2udp n ASN 252 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2udp s LYS 253 N -1.38 2.64 0.57 3.52 1.02 -0.41 -5.01 119.74 120.69 2udp s LYS 253 Ca 0.00 -2.28 -0.20 0.00 0.02 0.00 0.00 55.97 53.51 2udp s LYS 253 Cb 0.00 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 2udp s LYS 253 CO 0.00 -1.18 1.11 -2.30 -0.92 0.00 0.00 175.35 172.05 2udp n PRO 254 N 3.98 1.20 0.00 -1.68 -0.02 -1.26 -4.37 135.00 132.85 2udp n PRO 254 Ca 0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2udp n PRO 254 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2udp n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2udp n GLY 255 N 1.10 2.65 3.43 -1.23 0.00 -0.38 -4.90 105.19 105.86 2udp n GLY 255 Ca 0.12 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2udp n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2udp s VAL 256 N -1.90 4.93 -0.36 1.61 1.01 -1.26 -0.98 120.40 123.46 2udp s VAL 256 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2udp s VAL 256 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2udp s VAL 256 CO 0.00 -0.22 0.18 -1.00 0.00 0.00 0.00 175.10 174.06 2udp s HIS 257 N 1.63 3.23 -0.19 5.22 0.09 0.69 -4.98 115.29 120.97 2udp s HIS 257 Ca 0.04 -0.94 -0.09 0.00 -0.00 0.00 0.00 55.06 54.07 2udp s HIS 257 Cb -0.19 -2.41 -0.05 0.00 -0.00 0.00 0.00 32.58 29.94 2udp s HIS 257 CO 0.08 -0.62 0.10 0.42 -0.00 0.00 0.00 174.74 174.73 2udp s ILE 258 N 1.55 5.17 -0.12 0.60 1.01 -1.26 -0.03 121.20 128.13 2udp s ILE 258 Ca 0.02 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 2udp s ILE 258 Cb -0.19 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 38.98 2udp s ILE 258 CO 0.06 0.45 0.29 -0.31 0.00 0.00 0.00 174.94 175.42 2udp s TYR 259 N 0.38 -0.38 -0.05 3.97 2.02 0.26 -4.95 117.35 118.60 2udp s TYR 259 Ca 0.06 0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 57.34 2udp s TYR 259 Cb -0.12 0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.52 2udp s TYR 259 CO -0.01 -0.23 1.11 -0.80 -1.57 0.00 0.00 175.55 174.05 2udp s ASN 260 N 0.99 7.15 -0.57 2.29 0.01 -1.26 0.27 114.94 123.82 2udp s ASN 260 Ca -0.07 1.73 -0.06 0.00 -0.71 0.00 0.00 52.86 53.75 2udp s ASN 260 Cb -0.08 -2.56 0.15 0.00 0.41 0.00 0.00 41.25 39.17 2udp s ASN 260 CO -0.07 -0.49 0.42 -0.76 -1.51 0.00 0.00 177.10 174.69 2udp s LEU 261 N 1.89 5.56 0.31 0.60 1.43 -0.28 -4.68 118.68 123.51 2udp s LEU 261 Ca 0.53 -2.45 -0.08 0.00 -1.03 0.00 0.00 54.13 51.10 2udp s LEU 261 Cb -0.23 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.06 2udp s LEU 261 CO 0.22 -0.51 0.52 -0.83 0.23 0.00 0.00 176.35 175.98 2udp s GLY 262 N 1.60 0.95 0.16 -3.19 0.00 -1.26 -3.75 107.32 101.83 2udp s GLY 262 Ca 0.13 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.71 2udp s GLY 262 CO -0.04 -0.76 1.37 0.00 0.00 0.00 0.00 173.10 173.67 2udp h ALA 263 N 2.16 0.50 -0.38 3.20 0.00 -1.85 -3.43 119.26 119.46 2udp h ALA 263 Ca -0.28 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2udp h ALA 263 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2udp h ALA 263 CO 0.38 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.96 2udp n GLY 264 N 0.90 0.92 3.34 0.00 0.00 -1.24 -4.88 105.19 104.24 2udp n GLY 264 Ca -0.04 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2udp n GLY 264 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2udp s VAL 265 N -2.38 0.04 0.05 1.61 -7.23 -1.26 -4.87 120.40 106.36 2udp s VAL 265 Ca 0.00 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 2udp s VAL 265 Cb 0.00 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 2udp s VAL 265 CO 0.00 -0.18 0.12 -0.83 -0.31 0.00 0.00 175.10 173.90 2udp s GLY 266 N -1.47 2.08 -0.04 2.32 0.00 -1.26 -3.64 107.32 105.32 2udp s GLY 266 Ca -0.11 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.66 2udp s GLY 266 CO 0.04 -0.87 0.10 -1.31 0.00 0.00 0.00 173.10 171.06 2udp s ASN 267 N -2.25 -0.10 0.75 1.64 -0.87 0.78 -4.87 114.94 110.02 2udp s ASN 267 Ca 0.29 0.20 -0.09 0.00 -1.57 0.00 0.00 52.86 51.70 2udp s ASN 267 Cb -0.12 0.19 0.08 0.00 -0.02 0.00 0.00 41.25 41.37 2udp s ASN 267 CO 0.22 -0.05 1.08 -0.94 -2.57 0.00 0.00 177.10 174.85 2udp s SER 268 N 0.17 4.58 0.43 -1.22 1.04 -1.26 -1.14 113.70 116.31 2udp s SER 268 Ca -0.01 0.50 0.09 0.00 0.48 0.00 0.00 55.95 57.01 2udp s SER 268 Cb -0.02 -1.05 0.95 0.00 0.10 0.00 0.00 66.02 66.00 2udp s SER 268 CO -0.00 -1.78 2.08 0.58 0.98 0.00 0.00 173.24 175.09 2udp h VAL 269 N -0.81 1.08 0.01 5.02 2.07 -1.68 -0.78 116.25 121.16 2udp h VAL 269 Ca -0.45 -0.15 -0.26 0.00 0.82 0.00 0.00 66.70 66.66 2udp h VAL 269 Cb 1.31 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2udp h VAL 269 CO 0.59 0.08 -1.03 -0.07 0.02 0.00 0.00 177.57 177.16 2udp h LEU 270 N 0.44 0.83 -0.96 2.57 3.38 -1.93 -1.13 115.31 118.51 2udp h LEU 270 Ca 0.13 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2udp h LEU 270 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2udp h LEU 270 CO -0.03 1.47 0.31 0.44 0.09 0.00 0.00 178.44 180.72 2udp h ASP 271 N 0.35 0.97 -0.07 -0.43 3.32 -1.82 0.41 116.42 119.15 2udp h ASP 271 Ca -0.12 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2udp h ASP 271 Cb 1.69 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2udp h ASP 271 CO 0.20 0.85 0.03 0.58 -1.72 0.00 0.00 179.24 179.18 2udp h VAL 272 N 1.04 1.11 -0.77 -1.35 2.07 -1.09 -1.54 116.25 115.72 2udp h VAL 272 Ca 0.25 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2udp h VAL 272 Cb 0.17 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2udp h VAL 272 CO -0.02 0.09 0.50 0.58 0.02 0.00 0.00 177.57 178.74 2udp h VAL 273 N -0.01 1.12 -0.47 2.57 2.07 -0.28 -1.37 116.25 119.89 2udp h VAL 273 Ca 0.02 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 2udp h VAL 273 Cb 0.12 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2udp h VAL 273 CO -0.00 0.17 -0.19 0.78 0.02 0.00 0.00 177.57 178.35 2udp h ASN 274 N 0.94 0.94 -0.69 0.57 2.35 -0.07 -1.39 115.58 118.23 2udp h ASN 274 Ca 0.30 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2udp h ASN 274 Cb 0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2udp h ASN 274 CO -0.09 1.10 0.29 0.00 -1.65 0.00 0.00 177.43 177.08 2udp h ALA 275 N 0.97 0.89 0.36 -0.83 0.00 -0.22 -0.76 119.26 119.68 2udp h ALA 275 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2udp h ALA 275 Cb 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2udp h ALA 275 CO 0.06 0.50 -0.17 0.35 0.00 0.00 0.00 179.25 179.98 2udp h PHE 276 N 0.97 -0.45 -0.98 0.00 3.57 -1.21 0.34 116.94 119.18 2udp h PHE 276 Ca 0.23 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.95 2udp h PHE 276 Cb 0.19 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 2udp h PHE 276 CO 0.01 -0.19 0.63 0.77 -2.23 0.00 0.00 178.31 177.30 2udp h SER 277 N -0.65 0.49 -0.16 0.41 0.02 -1.25 0.19 113.55 112.60 2udp h SER 277 Ca -0.05 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 2udp h SER 277 Cb 0.47 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.99 2udp h SER 277 CO 0.08 0.16 -0.61 0.50 -1.14 0.00 0.00 176.83 175.82 2udp h LYS 278 N 0.46 0.69 -0.22 3.45 3.64 -0.58 -2.44 116.57 121.58 2udp h LYS 278 Ca 0.54 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2udp h LYS 278 Cb 1.26 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2udp h LYS 278 CO -0.25 1.15 -0.39 0.00 -2.27 0.00 0.00 179.45 177.69 2udp h ALA 279 N 0.54 0.92 -0.02 5.00 0.00 0.11 -3.26 119.26 122.55 2udp h ALA 279 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2udp h ALA 279 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2udp h ALA 279 CO 0.13 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.92 2udp n GLY 281 N 1.28 1.06 3.59 0.00 0.00 -0.94 -4.97 105.19 105.21 2udp n GLY 281 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2udp n GLY 281 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2udp s LYS 282 N -3.76 0.50 0.28 1.61 -2.85 -1.06 -5.07 119.74 109.40 2udp s LYS 282 Ca 0.00 1.05 -0.28 0.00 -1.00 0.00 0.00 55.97 55.74 2udp s LYS 282 Cb 0.00 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 2udp s LYS 282 CO 0.00 -0.14 0.97 -2.30 0.10 0.00 0.00 175.35 173.98 2udp n PRO 283 N 4.64 1.24 -3.31 1.78 -0.02 -1.26 -4.52 135.00 133.55 2udp n PRO 283 Ca -0.15 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.39 2udp n PRO 283 Cb 0.54 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 2udp n PRO 283 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2udp s VAL 284 N -1.05 4.79 -0.18 -1.45 1.01 -1.26 -5.00 120.40 117.27 2udp s VAL 284 Ca 0.59 1.09 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 2udp s VAL 284 Cb -0.72 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.79 2udp s VAL 284 CO 0.60 0.48 0.65 0.21 0.00 0.00 0.00 175.10 177.03 2udp s ASN 285 N -1.26 6.74 0.07 3.32 2.47 -1.26 -4.97 114.94 120.05 2udp s ASN 285 Ca 0.31 0.90 -0.11 0.00 0.42 0.00 0.00 52.86 54.38 2udp s ASN 285 Cb -0.18 -2.36 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 2udp s ASN 285 CO 0.19 -0.25 0.25 -0.72 -3.72 0.00 0.00 177.10 172.84 2udp s TYR 286 N 1.75 0.01 0.04 0.43 1.13 -1.25 0.52 117.35 119.98 2udp s TYR 286 Ca 0.30 -0.29 -0.00 0.00 -1.41 0.00 0.00 57.07 55.68 2udp s TYR 286 Cb -0.16 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.70 2udp s TYR 286 CO 0.11 -0.52 -0.04 -3.38 -2.51 0.00 0.00 175.55 169.22 2udp s HIS 287 N -3.13 0.47 -0.15 -3.49 -3.43 0.03 -4.84 115.29 100.75 2udp s HIS 287 Ca -0.01 -0.82 -0.25 0.00 -0.80 0.00 0.00 55.06 53.18 2udp s HIS 287 Cb 0.01 -0.33 -0.02 0.00 -1.43 0.00 0.00 32.58 30.81 2udp s HIS 287 CO -0.07 -0.27 0.81 -0.06 -2.00 0.00 0.00 174.74 173.15 2udp s PHE 288 N -2.83 3.45 0.41 0.38 0.08 -1.26 -0.27 117.98 117.93 2udp s PHE 288 Ca -0.02 1.26 0.07 0.00 0.12 0.00 0.00 56.93 58.36 2udp s PHE 288 Cb 0.00 -2.98 -0.06 0.00 -0.57 0.00 0.00 43.02 39.41 2udp s PHE 288 CO -0.06 -0.19 0.16 0.00 -0.10 0.00 0.00 175.22 175.04 2udp s ALA 289 N 1.92 3.53 0.86 5.36 0.00 0.24 -4.86 121.76 128.80 2udp s ALA 289 Ca 0.38 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.11 2udp s ALA 289 Cb -0.17 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.73 2udp s ALA 289 CO 0.14 -0.15 1.13 -1.25 0.00 0.00 0.00 175.76 175.62 2udp s PRO 290 N -3.88 1.50 0.40 0.00 0.05 -1.26 -0.05 135.00 131.77 2udp s PRO 290 Ca 0.40 1.43 -0.25 0.00 0.05 0.00 0.00 61.00 62.63 2udp s PRO 290 Cb 0.04 -1.79 -0.11 0.00 0.05 0.00 0.00 34.50 32.69 2udp s PRO 290 CO 0.22 -2.25 1.04 0.54 0.05 0.00 0.00 177.00 176.60 2udp n ARG 291 N -3.91 1.43 -3.11 4.56 1.74 -1.26 -2.90 116.66 113.22 2udp n ARG 291 Ca 0.11 0.51 -0.39 0.00 -0.77 0.00 0.00 57.85 57.31 2udp n ARG 291 Cb 0.52 -2.06 -0.05 0.00 -1.02 0.00 0.00 32.46 29.85 2udp n ARG 291 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2udp s ARG 292 N -1.98 4.40 -0.26 5.56 3.52 -1.26 -4.81 118.95 124.12 2udp s ARG 292 Ca 0.62 0.87 -0.40 0.00 -0.13 0.00 0.00 55.73 56.69 2udp s ARG 292 Cb -0.57 -3.36 -0.16 0.00 -1.56 0.00 0.00 34.95 29.30 2udp s ARG 292 CO 0.57 0.31 1.69 0.39 -0.81 0.00 0.00 175.30 177.46 2udp n GLU 293 N 2.85 1.07 -0.33 5.12 -0.58 -1.26 -0.29 120.64 127.22 2udp n GLU 293 Ca -0.05 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2udp n GLU 293 Cb 0.51 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2udp n GLU 293 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2udp n GLY 294 N 4.01 2.09 3.74 0.62 0.00 -1.26 -5.02 105.19 109.36 2udp n GLY 294 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2udp n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2udp s ASP 295 N -3.53 6.52 0.41 1.61 1.01 0.61 -5.00 116.67 118.31 2udp s ASP 295 Ca 0.00 2.77 -0.07 0.00 0.71 0.00 0.00 52.55 55.96 2udp s ASP 295 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2udp s ASP 295 CO 0.00 -0.82 0.74 -0.76 0.21 0.00 0.00 175.17 174.53 2udp s LEU 296 N -0.02 3.80 -0.01 1.23 1.43 -1.26 -4.96 118.68 118.89 2udp s LEU 296 Ca 0.64 0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.48 2udp s LEU 296 Cb -0.45 -3.87 -0.16 0.00 0.03 0.00 0.00 46.19 41.74 2udp s LEU 296 CO 0.42 -0.43 1.11 -0.65 0.23 0.00 0.00 176.35 177.03 2udp h PRO 297 N 0.95 -0.34 -2.00 1.29 0.11 -1.94 -3.44 132.00 126.63 2udp h PRO 297 Ca -0.47 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2udp h PRO 297 Cb 1.19 0.08 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 2udp h PRO 297 CO 0.63 0.01 0.14 0.00 -0.21 0.00 0.00 178.00 178.58 2udp s ALA 298 N -4.44 -1.77 -0.11 -0.75 0.00 -1.26 0.21 121.76 113.63 2udp s ALA 298 Ca -0.14 1.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 2udp s ALA 298 Cb 0.02 -0.89 0.12 0.00 0.00 0.00 0.00 23.12 22.37 2udp s ALA 298 CO 0.52 -0.35 1.04 1.52 0.00 0.00 0.00 175.76 178.49 2udp s TYR 299 N -0.01 -0.26 0.34 0.00 -0.85 -1.07 -4.97 117.35 110.53 2udp s TYR 299 Ca -0.03 0.25 -0.16 0.00 -0.52 0.00 0.00 57.07 56.61 2udp s TYR 299 Cb -0.04 0.51 0.03 0.00 0.38 0.00 0.00 41.96 42.85 2udp s TYR 299 CO 0.03 -0.37 0.70 1.67 -1.52 0.00 0.00 175.55 176.07 2udp s TRP 300 N -2.38 0.16 0.18 -3.49 -2.14 -1.26 -3.32 118.94 106.68 2udp s TRP 300 Ca 0.05 -0.69 -0.13 0.00 2.66 0.00 0.00 56.10 58.00 2udp s TRP 300 Cb -0.01 0.64 -0.07 0.00 -3.10 0.00 0.00 33.47 30.93 2udp s TRP 300 CO -0.05 -1.37 0.55 0.00 -2.66 0.00 0.00 176.95 173.42 2udp s ALA 301 N -3.04 3.57 -0.53 2.67 0.00 -1.26 -1.98 121.76 121.19 2udp s ALA 301 Ca 0.16 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 2udp s ALA 301 Cb -0.04 -2.50 0.12 0.00 0.00 0.00 0.00 23.12 20.69 2udp s ALA 301 CO 0.11 0.47 0.48 0.34 0.00 0.00 0.00 175.76 177.16 2udp s ASP 302 N -1.95 6.18 -0.24 0.00 -1.08 -0.86 -3.61 116.67 115.12 2udp s ASP 302 Ca 0.41 -1.67 0.14 0.00 -0.52 0.00 0.00 52.55 50.91 2udp s ASP 302 Cb -0.14 -2.21 0.71 0.00 -1.46 0.00 0.00 42.92 39.83 2udp s ASP 302 CO 0.20 -0.82 1.65 0.00 0.52 0.00 0.00 175.17 176.72 2udp n ALA 303 N 5.28 3.75 0.09 3.66 0.00 -1.26 -4.62 120.51 127.40 2udp n ALA 303 Ca -0.13 -2.17 0.01 0.00 0.00 0.00 0.00 53.44 51.15 2udp n ALA 303 Cb 0.41 -1.01 0.35 0.00 0.00 0.00 0.00 19.45 19.21 2udp n ALA 303 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2udp h SER 304 N 2.99 0.29 -0.17 0.00 4.64 -1.93 -2.84 113.55 116.53 2udp h SER 304 Ca 0.05 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2udp h SER 304 Cb 1.87 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.86 2udp h SER 304 CO 0.45 0.45 -0.03 0.50 -0.87 0.00 0.00 176.83 177.33 2udp h LYS 305 N 0.28 0.01 -0.56 4.77 3.64 -1.94 0.11 116.57 122.89 2udp h LYS 305 Ca 0.06 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2udp h LYS 305 Cb 0.41 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2udp h LYS 305 CO 0.02 0.01 0.19 0.00 -2.27 0.00 0.00 179.45 177.40 2udp h ALA 306 N 1.17 1.28 0.03 5.00 0.00 -1.81 0.47 119.26 125.39 2udp h ALA 306 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2udp h ALA 306 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2udp h ALA 306 CO -0.17 0.52 -0.02 0.22 0.00 0.00 0.00 179.25 179.81 2udp h ASP 307 N 0.82 -0.04 0.31 0.00 1.82 -1.21 1.04 116.42 119.17 2udp h ASP 307 Ca 0.19 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2udp h ASP 307 Cb 0.21 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.24 2udp h ASP 307 CO -0.01 0.08 -0.15 0.03 -1.61 0.00 0.00 179.24 177.58 2udp h ARG 308 N -0.15 -0.40 0.06 0.28 3.08 -0.23 0.32 114.38 117.34 2udp h ARG 308 Ca -0.00 0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 2udp h ARG 308 Cb 0.13 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.29 2udp h ARG 308 CO 0.01 -0.21 -0.63 0.93 -1.07 0.00 0.00 179.97 179.00 2udp h GLU 309 N -0.50 0.32 -0.01 0.04 5.08 -0.07 -3.36 114.58 116.08 2udp h GLU 309 Ca -0.04 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2udp h GLU 309 Cb 0.38 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2udp h GLU 309 CO 0.07 1.14 -0.73 1.28 -1.00 0.00 0.00 179.01 179.76 2udp n LEU 310 N -4.23 1.38 -3.35 1.33 4.77 0.35 -4.95 117.00 112.31 2udp n LEU 310 Ca -0.12 -0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 55.03 2udp n LEU 310 Cb 0.71 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.87 2udp n LEU 310 CO 0.46 0.29 0.22 -3.20 -1.33 0.00 0.00 177.39 173.84 2udp n ASN 311 N -0.86 -5.85 -4.30 -1.43 5.15 0.10 -4.97 115.26 103.10 2udp n ASN 311 Ca 0.06 -0.50 -0.28 0.00 -0.60 0.00 0.00 54.58 53.26 2udp n ASN 311 Cb 0.37 -4.68 -0.15 0.00 -0.53 0.00 0.00 39.78 34.79 2udp n ASN 311 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 2udp s TRP 312 N -3.30 2.09 0.23 1.20 -0.00 -1.09 -4.97 118.94 113.10 2udp s TRP 312 Ca 0.51 -0.39 -0.22 0.00 -0.00 0.00 0.00 56.10 56.00 2udp s TRP 312 Cb -0.23 -1.27 0.04 0.00 -0.00 0.00 0.00 33.47 32.02 2udp s TRP 312 CO 0.67 0.08 0.74 -0.98 -0.00 0.00 0.00 176.95 177.47 2udp s ARG 313 N -1.09 1.57 0.62 5.86 1.70 -1.26 -3.04 118.95 123.31 2udp s ARG 313 Ca 0.10 -0.82 -0.15 0.00 -0.47 0.00 0.00 55.73 54.38 2udp s ARG 313 Cb -0.09 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2udp s ARG 313 CO 0.01 -0.71 1.07 0.14 -1.08 0.00 0.00 175.30 174.73 2udp s VAL 314 N -3.76 3.73 0.00 4.99 -7.23 -1.26 -4.97 120.40 111.90 2udp s VAL 314 Ca 0.09 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2udp s VAL 314 Cb -0.04 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.57 2udp s VAL 314 CO 0.02 -0.52 0.00 0.35 -0.31 0.00 0.00 175.10 174.65 2udp n THR 315 N -2.22 0.00 -3.24 5.32 -2.24 -1.26 -5.05 114.28 105.59 2udp n THR 315 Ca 0.09 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 2udp n THR 315 Cb 0.53 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 2udp n THR 315 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2udp s ARG 316 N -0.62 4.27 0.88 -0.78 3.00 -1.26 -5.08 118.95 119.35 2udp s ARG 316 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 55.73 56.31 2udp s ARG 316 Cb 0.00 -3.31 0.15 0.00 0.00 0.00 0.00 34.95 31.79 2udp s ARG 316 CO 0.00 0.46 1.24 0.95 0.00 0.00 0.00 175.30 177.94 2udp s THR 317 N -0.48 2.03 0.29 0.02 -4.23 -1.26 -4.78 115.64 107.23 2udp s THR 317 Ca 0.30 -0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2udp s THR 317 Cb -0.18 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.87 2udp s THR 317 CO 0.17 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.38 2udp h LEU 318 N -1.31 0.84 -0.16 4.79 5.85 -1.98 -1.18 115.31 122.16 2udp h LEU 318 Ca -0.44 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.20 2udp h LEU 318 Cb 1.27 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2udp h LEU 318 CO 0.49 0.74 0.01 0.44 -0.34 0.00 0.00 178.44 179.77 2udp h ASP 319 N 0.92 -0.05 -0.66 1.25 3.32 -1.94 0.06 116.42 119.32 2udp h ASP 319 Ca 0.22 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 2udp h ASP 319 Cb 0.14 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2udp h ASP 319 CO -0.02 -0.00 0.18 -0.33 -1.72 0.00 0.00 179.24 177.35 2udp h GLU 320 N 0.06 1.07 -0.95 3.56 5.08 -1.84 0.76 114.58 122.31 2udp h GLU 320 Ca 0.07 -0.24 0.12 0.00 -1.00 0.00 0.00 59.36 58.32 2udp h GLU 320 Cb 0.09 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 2udp h GLU 320 CO -0.12 0.93 0.58 0.52 -1.00 0.00 0.00 179.01 179.92 2udp h MET 321 N 1.02 0.89 0.08 2.33 2.86 -0.49 0.24 114.93 121.85 2udp h MET 321 Ca 0.22 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 2udp h MET 321 Cb 0.33 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 31.81 2udp h MET 321 CO -0.00 0.59 -0.70 0.00 1.06 0.00 0.00 176.91 177.86 2udp h ALA 322 N 1.53 -0.02 -0.22 6.32 0.00 0.39 -2.30 119.26 124.95 2udp h ALA 322 Ca 0.48 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2udp h ALA 322 Cb 0.49 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2udp h ALA 322 CO -0.27 0.35 -0.09 1.96 0.00 0.00 0.00 179.25 181.20 2udp h GLN 323 N -0.28 -0.05 -0.46 0.00 4.20 0.84 -1.16 115.11 118.20 2udp h GLN 323 Ca -0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2udp h GLN 323 Cb 1.48 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 2udp h GLN 323 CO 0.13 -0.03 0.17 -0.44 -0.67 0.00 0.00 178.83 177.99 2udp h ASP 324 N -0.05 0.60 -0.31 1.46 3.32 -0.61 -0.50 116.42 120.33 2udp h ASP 324 Ca 0.12 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2udp h ASP 324 Cb 0.23 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2udp h ASP 324 CO -0.26 0.56 -0.08 0.74 -1.72 0.00 0.00 179.24 178.47 2udp h THR 325 N 0.65 1.28 -0.68 0.35 2.02 -0.95 -2.64 112.91 112.95 2udp h THR 325 Ca 0.16 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 2udp h THR 325 Cb 0.16 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2udp h THR 325 CO -0.01 0.36 0.26 -0.25 0.37 0.00 0.00 175.52 176.25 2udp h TRP 326 N 0.36 1.02 -0.55 3.16 2.91 -0.44 0.10 115.95 122.52 2udp h TRP 326 Ca 0.08 -0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.04 2udp h TRP 326 Cb 0.58 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 2udp h TRP 326 CO 0.05 0.79 0.36 1.25 -1.03 0.00 0.00 178.44 179.86 2udp h HIS 327 N 0.99 0.68 -0.07 2.65 2.76 -1.09 0.58 115.15 121.65 2udp h HIS 327 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2udp h HIS 327 Cb 0.20 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2udp h HIS 327 CO 0.02 0.42 -0.05 2.35 -1.30 0.00 0.00 177.93 179.37 2udp h TRP 328 N 0.73 0.18 -0.64 5.26 2.91 -1.05 -1.64 115.95 121.71 2udp h TRP 328 Ca 0.21 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 2udp h TRP 328 Cb -0.07 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 2udp h TRP 328 CO -0.04 0.56 0.25 0.37 -1.03 0.00 0.00 178.44 178.54 2udp h GLN 329 N -0.24 0.96 -0.29 2.65 5.75 -0.45 -0.74 115.11 122.75 2udp h GLN 329 Ca 0.01 -0.18 -0.18 0.00 -0.15 0.00 0.00 58.65 58.16 2udp h GLN 329 Cb 0.51 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 2udp h GLN 329 CO 0.01 0.81 -0.52 0.66 -2.65 0.00 0.00 178.83 177.15 2udp h SER 330 N 0.90 0.93 0.34 -0.69 4.64 0.16 -1.02 113.55 118.81 2udp h SER 330 Ca 0.21 -0.48 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 2udp h SER 330 Cb 0.22 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2udp h SER 330 CO -0.02 1.27 -0.25 0.03 -0.87 0.00 0.00 176.83 176.99 2udp h ARG 331 N 0.65 0.00 -2.06 4.77 3.08 -1.04 -3.33 114.38 116.45 2udp h ARG 331 Ca 0.02 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.56 2udp h ARG 331 Cb 1.12 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.76 2udp h ARG 331 CO 0.11 0.25 -1.07 0.72 -1.07 0.00 0.00 179.97 178.92 2udp n HIS 332 N -4.02 1.02 -0.27 3.04 8.25 -0.31 -5.00 115.22 117.94 2udp n HIS 332 Ca -0.02 -3.85 0.22 0.00 -0.26 0.00 0.00 57.72 53.81 2udp n HIS 332 Cb 0.32 -0.43 0.41 0.00 1.12 0.00 0.00 29.99 31.41 2udp n HIS 332 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2udp n PRO 333 N 0.21 -0.05 -0.67 -0.41 -0.02 -0.40 0.22 135.00 133.87 2udp n PRO 333 Ca 0.26 1.16 0.08 0.00 -2.02 0.00 0.00 63.50 62.99 2udp n PRO 333 Cb 0.60 -2.01 0.36 0.00 -0.02 0.00 0.00 33.50 32.42 2udp n PRO 333 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2udp n GLN 334 N -4.95 4.00 0.00 -0.52 1.13 -1.26 -5.01 117.38 110.77 2udp n GLN 334 Ca 0.28 -2.94 0.00 0.00 -1.94 0.00 0.00 57.00 52.39 2udp n GLN 334 Cb 0.93 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2udp n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2udp n GLY 335 N 0.77 0.05 3.79 1.08 0.00 0.60 -4.85 105.19 106.64 2udp n GLY 335 Ca 0.25 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 2udp n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2udp s TYR 336 N 0.00 3.01 0.66 1.61 2.02 -1.26 -4.89 117.35 118.49 2udp s TYR 336 Ca 0.00 1.58 -0.12 0.00 -0.37 0.00 0.00 57.07 58.17 2udp s TYR 336 Cb 0.00 -3.12 -0.01 0.00 -0.40 0.00 0.00 41.96 38.43 2udp s TYR 336 CO 0.00 -0.91 1.05 -1.25 -1.57 0.00 0.00 175.55 172.87 2udp s PRO 337 N -3.06 3.19 0.00 -1.71 0.04 -1.26 -5.08 135.00 127.12 2udp s PRO 337 Ca 0.66 0.94 0.31 0.00 0.04 0.00 0.00 61.00 62.94 2udp s PRO 337 Cb -0.19 -2.02 1.66 0.00 0.04 0.00 0.00 34.50 33.98 2udp s PRO 337 CO 0.23 -0.90 2.09 -0.25 0.04 0.00 0.00 177.00 178.21