#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pep s GLY 2 N 0.00 1.45 -0.31 4.50 0.00 0.20 -4.89 107.32 108.27 3pep s GLY 2 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 3pep s GLY 2 CO 0.00 -1.15 0.02 -0.35 0.00 0.00 0.00 173.10 171.62 3pep s ASP 3 N -1.32 4.91 -0.54 1.64 2.15 0.60 -1.31 116.67 122.80 3pep s ASP 3 Ca 0.12 -1.42 -0.08 0.00 0.43 0.00 0.00 52.55 51.61 3pep s ASP 3 Cb -0.10 -1.71 0.14 0.00 -0.30 0.00 0.00 42.92 40.94 3pep s ASP 3 CO 0.03 -0.30 0.40 -0.70 -0.17 0.00 0.00 175.17 174.43 3pep s GLU 4 N 1.21 2.57 0.59 4.34 2.56 -1.01 -4.47 118.70 124.49 3pep s GLU 4 Ca -0.03 -2.01 -0.18 0.00 0.00 0.00 0.00 54.97 52.75 3pep s GLU 4 Cb -0.20 -3.91 -0.04 0.00 2.00 0.00 0.00 34.13 31.99 3pep s GLU 4 CO -0.02 -1.19 1.16 -2.14 -0.56 0.00 0.00 175.26 172.51 3pep s PRO 5 N 0.90 3.06 0.02 4.30 0.02 -1.26 -1.76 135.00 140.29 3pep s PRO 5 Ca 0.10 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.84 3pep s PRO 5 Cb -0.23 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3pep s PRO 5 CO -0.03 -1.10 -0.13 -0.51 -0.33 0.00 0.00 177.00 174.90 3pep s LEU 6 N -4.12 2.12 -0.04 -5.54 1.43 0.06 -4.62 118.68 107.97 3pep s LEU 6 Ca 0.74 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 3pep s LEU 6 Cb -0.26 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 3pep s LEU 6 CO 0.32 0.07 0.64 -0.70 0.23 0.00 0.00 176.35 176.91 3pep s GLU 7 N -0.86 4.39 -0.41 1.70 2.12 0.68 -4.26 118.70 122.06 3pep s GLU 7 Ca 0.02 0.79 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 3pep s GLU 7 Cb -0.07 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.94 3pep s GLU 7 CO 0.01 0.21 0.39 1.21 -0.54 0.00 0.00 175.26 176.54 3pep s ASN 8 N 0.35 6.17 -0.31 -1.70 3.84 -1.26 -1.47 114.94 120.56 3pep s ASN 8 Ca 0.34 -0.65 -0.03 0.00 0.21 0.00 0.00 52.86 52.72 3pep s ASN 8 Cb -0.18 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.36 3pep s ASN 8 CO 0.17 -0.51 0.03 -0.47 -2.79 0.00 0.00 177.10 173.53 3pep s TYR 9 N 2.02 3.24 -1.40 0.43 6.14 -0.47 -4.64 117.35 122.67 3pep s TYR 9 Ca 0.10 -1.67 -0.10 0.00 0.64 0.00 0.00 57.07 56.05 3pep s TYR 9 Cb -0.17 -2.16 0.06 0.00 0.42 0.00 0.00 41.96 40.11 3pep s TYR 9 CO 0.13 -0.76 0.61 1.28 0.64 0.00 0.00 175.55 177.44 3pep n LEU 10 N 4.69 -1.96 -1.58 6.97 4.77 -1.26 -1.17 117.00 127.46 3pep n LEU 10 Ca -0.13 -0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 55.32 3pep n LEU 10 Cb 0.44 -2.37 -0.02 0.00 -2.33 0.00 0.00 43.42 39.14 3pep n LEU 10 CO 0.28 0.23 -0.07 0.47 -1.33 0.00 0.00 177.39 176.97 3pep n ASP 11 N -2.45 -2.11 0.00 -1.43 9.92 -1.26 -4.70 116.55 114.53 3pep n ASP 11 Ca -0.02 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 3pep n ASP 11 Cb 0.55 -2.09 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 3pep n ASP 11 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3pep n THR 12 N -1.92 0.00 -4.10 -3.53 -2.24 -0.32 -4.97 114.28 97.20 3pep n THR 12 Ca -0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 3pep n THR 12 Cb 0.33 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 3pep n THR 12 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3pep s GLU 13 N -1.97 0.64 -0.10 -0.78 0.41 -0.97 -4.38 118.70 111.55 3pep s GLU 13 Ca 0.00 -1.13 -0.04 0.00 -0.41 0.00 0.00 54.97 53.39 3pep s GLU 13 Cb 0.00 0.01 0.05 0.00 -1.78 0.00 0.00 34.13 32.42 3pep s GLU 13 CO 0.00 -0.06 0.21 0.71 -0.49 0.00 0.00 175.26 175.63 3pep s TYR 14 N -3.26 -0.29 0.15 1.61 1.51 -1.26 -1.37 117.35 114.44 3pep s TYR 14 Ca 0.04 0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 56.82 3pep s TYR 14 Cb 0.03 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 3pep s TYR 14 CO -0.06 -0.27 0.12 -0.59 -1.11 0.00 0.00 175.55 173.63 3pep s PHE 15 N 1.94 0.81 0.05 2.71 -0.71 -0.54 -4.06 117.98 118.18 3pep s PHE 15 Ca -0.02 -1.16 -0.02 0.00 -1.04 0.00 0.00 56.93 54.69 3pep s PHE 15 Cb -0.12 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 3pep s PHE 15 CO -0.07 -0.58 0.01 0.20 -1.34 0.00 0.00 175.22 173.43 3pep s GLY 16 N -3.05 0.39 -0.07 1.99 0.00 -0.40 -0.23 107.32 105.96 3pep s GLY 16 Ca 0.25 -1.06 -0.20 0.00 0.00 0.00 0.00 44.72 43.71 3pep s GLY 16 CO 0.03 -1.18 0.57 -1.59 0.00 0.00 0.00 173.10 170.94 3pep s THR 17 N -3.70 5.06 0.11 0.90 2.01 -1.26 -0.72 115.64 118.03 3pep s THR 17 Ca 0.05 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.28 3pep s THR 17 Cb 0.06 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3pep s THR 17 CO -0.09 0.34 -0.13 0.27 -0.69 0.00 0.00 174.62 174.31 3pep s ILE 18 N 0.38 1.21 -0.07 1.82 -4.36 -0.20 -4.68 121.20 115.30 3pep s ILE 18 Ca 0.31 -1.61 0.06 0.00 -0.26 0.00 0.00 60.65 59.14 3pep s ILE 18 Cb -0.17 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 3pep s ILE 18 CO 0.15 -0.40 -0.25 -0.83 0.24 0.00 0.00 174.94 173.85 3pep s GLY 19 N -2.30 1.30 -0.16 6.27 0.00 0.07 -0.87 107.32 111.63 3pep s GLY 19 Ca 0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3pep s GLY 19 CO 0.02 -0.56 -0.12 -0.42 0.00 0.00 0.00 173.10 172.02 3pep s ILE 20 N -0.03 2.99 0.00 0.90 1.01 0.13 -1.22 121.20 124.98 3pep s ILE 20 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3pep s ILE 20 Cb -0.15 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3pep s ILE 20 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3pep n GLY 21 N 3.95 -2.21 2.94 6.18 0.00 -0.38 -1.76 105.19 113.91 3pep n GLY 21 Ca -0.18 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.35 3pep n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3pep s THR 22 N -1.00 1.21 0.58 2.61 2.01 -1.26 -2.85 115.64 116.94 3pep s THR 22 Ca 0.00 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.36 3pep s THR 22 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3pep s THR 22 CO 0.00 0.36 1.18 -2.16 -0.69 0.00 0.00 174.62 173.31 3pep s PRO 23 N 1.63 3.11 -0.32 4.92 0.04 -1.26 0.15 135.00 143.26 3pep s PRO 23 Ca 0.04 1.75 -0.40 0.00 0.04 0.00 0.00 61.00 62.43 3pep s PRO 23 Cb -0.13 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 3pep s PRO 23 CO -0.09 -1.08 1.86 0.00 0.04 0.00 0.00 177.00 177.73 3pep n ALA 24 N -1.49 0.04 -2.29 8.56 0.00 -1.13 -4.81 120.51 119.39 3pep n ALA 24 Ca 0.13 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 3pep n ALA 24 Cb 0.50 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 3pep n ALA 24 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3pep s GLN 25 N 4.25 3.99 -0.21 0.00 -0.21 -0.72 -4.84 119.66 121.92 3pep s GLN 25 Ca 1.03 0.54 -0.09 0.00 0.02 0.00 0.00 55.36 56.85 3pep s GLN 25 Cb -1.08 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 30.11 3pep s GLN 25 CO 0.63 0.37 0.12 -0.51 -2.12 0.00 0.00 175.29 173.78 3pep s ASP 26 N -1.95 5.98 0.02 5.90 1.01 -1.26 0.19 116.67 126.57 3pep s ASP 26 Ca 0.44 0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.87 3pep s ASP 26 Cb -0.14 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3pep s ASP 26 CO 0.20 0.15 -0.08 -0.36 0.21 0.00 0.00 175.17 175.28 3pep s PHE 27 N 0.56 0.73 -0.10 4.23 0.40 -0.05 -4.93 117.98 118.82 3pep s PHE 27 Ca 0.06 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 3pep s PHE 27 Cb -0.12 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 3pep s PHE 27 CO 0.00 -0.03 0.28 0.95 0.70 0.00 0.00 175.22 177.12 3pep s THR 28 N -0.80 5.29 -0.02 0.64 -4.23 -1.26 -1.03 115.64 114.22 3pep s THR 28 Ca -0.03 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 60.90 3pep s THR 28 Cb -0.07 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.20 3pep s THR 28 CO 0.00 0.51 0.22 0.68 -0.54 0.00 0.00 174.62 175.49 3pep s VAL 29 N -0.40 0.06 0.55 2.29 -7.23 0.10 -1.42 120.40 114.35 3pep s VAL 29 Ca 0.18 -0.47 -0.17 0.00 -1.81 0.00 0.00 61.98 59.71 3pep s VAL 29 Cb -0.14 -0.47 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 3pep s VAL 29 CO 0.06 -0.26 1.03 0.27 -0.31 0.00 0.00 175.10 175.89 3pep s ILE 30 N -1.03 4.07 -0.36 -0.62 -4.36 -0.87 -1.27 121.20 116.76 3pep s ILE 30 Ca -0.11 1.03 -0.08 0.00 -0.26 0.00 0.00 60.65 61.22 3pep s ILE 30 Cb -0.06 -3.51 0.04 0.00 1.25 0.00 0.00 42.46 40.18 3pep s ILE 30 CO 0.02 -0.53 0.15 -0.36 0.24 0.00 0.00 174.94 174.47 3pep s PHE 31 N -2.45 3.26 -0.25 1.37 0.08 -1.26 -0.03 117.98 118.70 3pep s PHE 31 Ca 0.62 -1.26 0.02 0.00 0.12 0.00 0.00 56.93 56.44 3pep s PHE 31 Cb -0.14 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 39.98 3pep s PHE 31 CO 0.32 -0.71 -0.10 0.34 -0.10 0.00 0.00 175.22 174.97 3pep s ASP 32 N 1.51 4.26 0.00 1.36 3.68 0.13 -4.43 116.67 123.17 3pep s ASP 32 Ca 0.00 -1.31 0.00 0.00 2.13 0.00 0.00 52.55 53.37 3pep s ASP 32 Cb -0.20 -1.48 0.00 0.00 -1.45 0.00 0.00 42.92 39.80 3pep s ASP 32 CO 0.04 -0.19 0.60 0.35 0.13 0.00 0.00 175.17 176.10 3pep n THR 33 N 4.49 0.00 -0.01 1.71 -2.24 -1.26 -0.57 114.28 116.38 3pep n THR 33 Ca -0.14 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 3pep n THR 33 Cb 0.43 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 3pep n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pep n GLY 34 N 0.11 2.34 3.29 3.38 0.00 -1.26 -4.25 105.19 108.80 3pep n GLY 34 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 3pep n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3pep s SER 35 N -0.88 0.99 0.00 1.61 1.04 -1.12 -5.01 113.70 110.32 3pep s SER 35 Ca 0.04 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.90 3pep s SER 35 Cb 0.02 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3pep s SER 35 CO 0.03 -1.01 0.34 -1.20 0.98 0.00 0.00 173.24 172.38 3pep n SER 36 N -1.03 0.27 -4.71 7.02 7.64 -1.26 -2.15 113.62 119.39 3pep n SER 36 Ca 0.05 -1.09 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 3pep n SER 36 Cb 0.64 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.75 3pep n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3pep s ASN 37 N -0.09 5.28 -0.12 6.43 -0.87 -1.26 -4.24 114.94 120.06 3pep s ASN 37 Ca 0.00 0.03 -0.01 0.00 -1.57 0.00 0.00 52.86 51.31 3pep s ASN 37 Cb 0.00 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.25 39.79 3pep s ASN 37 CO 0.00 0.28 -0.07 -0.22 -2.57 0.00 0.00 177.10 174.52 3pep s LEU 38 N -1.62 3.09 0.08 0.60 2.96 -1.26 -2.55 118.68 119.99 3pep s LEU 38 Ca 0.20 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 3pep s LEU 38 Cb -0.12 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.91 3pep s LEU 38 CO 0.11 0.23 0.48 -1.66 -1.32 0.00 0.00 176.35 174.19 3pep s TRP 39 N -0.02 -0.35 -0.06 5.38 1.48 -1.09 -1.09 118.94 123.20 3pep s TRP 39 Ca -0.00 0.26 0.04 0.00 -1.06 0.00 0.00 56.10 55.34 3pep s TRP 39 Cb -0.14 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.48 3pep s TRP 39 CO 0.03 -0.67 -0.18 0.54 -4.06 0.00 0.00 176.95 172.62 3pep s VAL 40 N -2.95 2.76 0.19 -0.66 0.11 -0.53 -2.37 120.40 116.95 3pep s VAL 40 Ca -0.02 -0.83 -0.32 0.00 -2.93 0.00 0.00 61.98 57.88 3pep s VAL 40 Cb -0.00 -2.06 -0.12 0.00 -1.53 0.00 0.00 36.38 32.67 3pep s VAL 40 CO -0.06 0.58 1.74 -2.84 -3.33 0.00 0.00 175.10 171.19 3pep s PRO 41 N -0.50 4.13 0.44 1.54 0.02 -1.26 -1.28 135.00 138.09 3pep s PRO 41 Ca 0.06 2.59 0.07 0.00 0.02 0.00 0.00 61.00 63.74 3pep s PRO 41 Cb -0.12 -3.18 0.07 0.00 0.02 0.00 0.00 34.50 31.29 3pep s PRO 41 CO 0.01 -0.76 0.55 -1.13 -0.33 0.00 0.00 177.00 175.34 3pep n SER 42 N 4.32 1.74 0.00 2.53 3.41 -1.16 -0.67 113.62 123.80 3pep n SER 42 Ca 0.16 -2.22 0.13 0.00 -0.26 0.00 0.00 58.87 56.68 3pep n SER 42 Cb 0.36 -0.27 0.74 0.00 -0.26 0.00 0.00 64.21 64.78 3pep n SER 42 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3pep n VAL 43 N -1.87 0.06 -0.86 -3.33 3.14 -0.26 -3.25 118.33 111.97 3pep n VAL 43 Ca 0.10 0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.57 3pep n VAL 43 Cb 0.46 -0.60 0.31 0.00 -1.06 0.00 0.00 33.84 32.95 3pep n VAL 43 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3pep n TYR 44 N -1.10 1.36 -4.25 1.45 4.01 -1.26 -4.91 117.16 112.46 3pep n TYR 44 Ca 0.17 -0.77 -0.34 0.00 -0.16 0.00 0.00 57.90 56.80 3pep n TYR 44 Cb 0.13 -0.35 -0.12 0.00 -0.31 0.00 0.00 39.34 38.68 3pep n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3pep n SER 46 N 3.82 2.22 -4.68 0.00 3.41 -1.25 -4.82 113.62 112.32 3pep n SER 46 Ca -0.17 -1.67 -0.30 0.00 -0.26 0.00 0.00 58.87 56.46 3pep n SER 46 Cb 0.52 -0.09 0.15 0.00 -0.26 0.00 0.00 64.21 64.54 3pep n SER 46 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3pep s SER 47 N -0.87 3.15 0.13 4.04 0.01 -1.26 -4.87 113.70 114.03 3pep s SER 47 Ca 0.14 1.92 -0.21 0.00 1.31 0.00 0.00 55.95 59.12 3pep s SER 47 Cb 0.09 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 3pep s SER 47 CO 0.12 -2.91 1.70 0.25 0.41 0.00 0.00 173.24 172.81 3pep h LEU 48 N -1.73 -0.21 -1.62 2.44 5.85 -1.96 -0.79 115.31 117.29 3pep h LEU 48 Ca -0.46 0.06 0.23 0.00 0.84 0.00 0.00 57.88 58.54 3pep h LEU 48 Cb 1.27 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 3pep h LEU 48 CO 0.47 -0.08 0.62 0.00 -0.34 0.00 0.00 178.44 179.11 3pep h ALA 49 N 1.13 2.38 0.00 1.25 0.00 -1.86 0.44 119.26 122.61 3pep h ALA 49 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3pep h ALA 49 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3pep h ALA 49 CO -0.19 -0.67 -0.19 0.00 0.00 0.00 0.00 179.25 178.20 3pep h SER 51 N 0.00 0.00 1.45 0.00 4.64 -0.51 -3.32 113.55 115.81 3pep h SER 51 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pep h SER 51 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3pep h SER 51 CO 0.02 0.49 -0.14 -0.78 -0.87 0.00 0.00 176.83 175.55 3pep h ASP 52 N 0.00 0.00 -2.78 4.97 3.58 -1.22 -3.49 116.42 117.47 3pep h ASP 52 Ca -0.02 -0.04 -0.53 0.00 0.42 0.00 0.00 57.03 56.86 3pep h ASP 52 Cb 1.39 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.31 3pep h ASP 52 CO 0.06 0.02 -0.58 -1.00 -2.88 0.00 0.00 179.24 174.86 3pep s HIS 53 N -3.14 2.00 0.24 0.28 3.76 -0.91 -5.09 115.29 112.43 3pep s HIS 53 Ca 0.09 -0.98 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 3pep s HIS 53 Cb 0.11 -1.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 3pep s HIS 53 CO 0.64 0.03 1.18 -0.80 -0.85 0.00 0.00 174.74 174.93 3pep s ASN 54 N -3.57 7.11 -0.06 1.40 -0.87 -1.26 -4.94 114.94 112.74 3pep s ASN 54 Ca 0.31 2.32 0.06 0.00 -1.57 0.00 0.00 52.86 53.98 3pep s ASN 54 Cb 0.07 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.67 3pep s ASN 54 CO 0.15 -0.30 -0.24 -1.10 -2.57 0.00 0.00 177.10 173.03 3pep s GLN 55 N -0.94 2.56 0.21 -0.60 -0.21 -1.26 -4.45 119.66 114.96 3pep s GLN 55 Ca 0.49 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 3pep s GLN 55 Cb -0.33 -2.13 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 3pep s GLN 55 CO 0.41 0.34 1.08 0.12 -2.12 0.00 0.00 175.29 175.12 3pep s PHE 56 N -0.08 3.63 -0.37 0.91 5.99 0.16 -4.77 117.98 123.45 3pep s PHE 56 Ca -0.06 1.66 0.00 0.00 0.00 0.00 0.00 56.93 58.53 3pep s PHE 56 Cb -0.14 -3.25 0.10 0.00 0.00 0.00 0.00 43.02 39.73 3pep s PHE 56 CO 0.04 -0.49 0.12 1.21 -0.00 0.00 0.00 175.22 176.11 3pep s ASN 57 N -0.42 5.01 0.33 6.13 3.84 -1.26 -1.10 114.94 127.47 3pep s ASN 57 Ca 0.47 -2.01 0.11 0.00 0.21 0.00 0.00 52.86 51.63 3pep s ASN 57 Cb -0.30 -1.73 0.99 0.00 -0.55 0.00 0.00 41.25 39.66 3pep s ASN 57 CO 0.36 -0.45 1.62 -0.65 -2.79 0.00 0.00 177.10 175.20 3pep h PRO 58 N 7.86 0.16 -0.86 0.43 0.11 -1.95 -2.07 132.00 135.67 3pep h PRO 58 Ca -0.10 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.09 3pep h PRO 58 Cb 1.04 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.04 3pep h PRO 58 CO 0.61 0.11 0.51 0.22 -0.21 0.00 0.00 178.00 179.23 3pep h ASP 59 N 0.16 0.75 -0.01 -2.05 3.58 -2.03 -3.32 116.42 113.51 3pep h ASP 59 Ca 0.69 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.18 3pep h ASP 59 Cb 1.58 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.53 3pep h ASP 59 CO -0.71 0.43 -0.02 -0.90 -2.88 0.00 0.00 179.24 175.15 3pep n ASP 60 N -4.70 2.08 -4.08 2.28 5.68 -0.78 -4.83 116.55 112.19 3pep n ASP 60 Ca 0.14 -1.67 -0.32 0.00 -0.50 0.00 0.00 54.79 52.44 3pep n ASP 60 Cb 0.27 0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 40.11 3pep n ASP 60 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3pep s SER 61 N -2.03 3.36 0.00 -1.12 0.01 -1.25 -4.68 113.70 107.99 3pep s SER 61 Ca 0.33 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3pep s SER 61 Cb 0.20 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 65.01 3pep s SER 61 CO 0.34 -0.06 0.18 -1.54 0.41 0.00 0.00 173.24 172.56 3pep n SER 62 N 4.61 0.38 0.00 2.44 3.41 0.12 -3.57 113.62 121.01 3pep n SER 62 Ca -0.18 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 3pep n SER 62 Cb 0.48 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3pep n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3pep n THR 63 N 0.38 0.24 -1.93 6.66 -2.24 -1.26 -4.97 114.28 111.16 3pep n THR 63 Ca 0.00 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 3pep n THR 63 Cb 0.09 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 3pep n THR 63 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3pep s PHE 64 N -0.24 2.92 -0.04 4.78 2.19 -1.23 -4.55 117.98 121.81 3pep s PHE 64 Ca 0.00 1.51 -0.01 0.00 0.33 0.00 0.00 56.93 58.76 3pep s PHE 64 Cb 0.00 -3.03 0.03 0.00 -1.31 0.00 0.00 43.02 38.72 3pep s PHE 64 CO 0.00 -1.25 0.08 -2.00 1.83 0.00 0.00 175.22 173.87 3pep s GLU 65 N -4.19 -0.01 0.67 10.12 2.56 -0.10 -4.99 118.70 122.76 3pep s GLU 65 Ca 0.64 0.31 -0.11 0.00 0.00 0.00 0.00 54.97 55.81 3pep s GLU 65 Cb -0.17 -0.29 -0.01 0.00 2.00 0.00 0.00 34.13 35.66 3pep s GLU 65 CO 0.40 -0.22 1.06 0.00 -0.56 0.00 0.00 175.26 175.94 3pep s ALA 66 N 1.46 2.92 0.14 6.30 0.00 -1.26 -1.41 121.76 129.91 3pep s ALA 66 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3pep s ALA 66 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3pep s ALA 66 CO -0.04 -0.96 0.02 0.95 0.00 0.00 0.00 175.76 175.74 3pep s THR 67 N -3.20 0.36 -0.32 0.00 -4.23 -1.24 -4.86 115.64 102.16 3pep s THR 67 Ca 0.57 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 59.24 3pep s THR 67 Cb -0.12 -2.03 0.63 0.00 1.34 0.00 0.00 72.50 72.33 3pep s THR 67 CO 0.54 -0.52 1.68 -1.54 -0.54 0.00 0.00 174.62 174.24 3pep n SER 68 N -0.14 3.82 -4.78 3.99 3.41 -1.26 -4.76 113.62 113.91 3pep n SER 68 Ca -0.07 -3.43 -0.37 0.00 -0.26 0.00 0.00 58.87 54.75 3pep n SER 68 Cb 0.63 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 3pep n SER 68 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3pep s GLN 69 N -3.11 4.04 0.44 4.33 -0.21 -1.26 -5.04 119.66 118.85 3pep s GLN 69 Ca 0.51 0.10 0.02 0.00 0.02 0.00 0.00 55.36 56.01 3pep s GLN 69 Cb 0.43 -3.34 0.00 0.00 1.00 0.00 0.00 33.01 31.10 3pep s GLN 69 CO 0.09 0.43 0.64 -1.83 -2.12 0.00 0.00 175.29 172.50 3pep s GLU 70 N -0.12 2.99 -0.21 2.91 1.03 -1.26 -1.81 118.70 122.24 3pep s GLU 70 Ca 0.17 -0.67 -0.04 0.00 0.03 0.00 0.00 54.97 54.47 3pep s GLU 70 Cb -0.13 -2.61 0.07 0.00 -0.80 0.00 0.00 34.13 30.65 3pep s GLU 70 CO 0.06 -0.26 0.08 -1.17 -1.33 0.00 0.00 175.26 172.63 3pep s LEU 71 N -4.50 0.74 0.03 1.83 2.96 -0.05 -4.81 118.68 114.89 3pep s LEU 71 Ca 0.49 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3pep s LEU 71 Cb -0.10 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 3pep s LEU 71 CO 0.36 -0.36 0.07 -0.55 -1.32 0.00 0.00 176.35 174.56 3pep s SER 72 N 2.02 5.54 -0.18 3.68 0.15 -1.26 -0.21 113.70 123.43 3pep s SER 72 Ca 0.03 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.67 3pep s SER 72 Cb -0.16 -1.53 0.08 0.00 -1.71 0.00 0.00 66.02 62.70 3pep s SER 72 CO -0.14 0.23 0.39 -0.63 1.20 0.00 0.00 173.24 174.29 3pep s ILE 73 N -1.26 -0.47 -0.09 6.45 1.01 -0.21 -4.91 121.20 121.72 3pep s ILE 73 Ca 0.25 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 3pep s ILE 73 Cb -0.12 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3pep s ILE 73 CO 0.17 0.07 0.13 -0.89 0.00 0.00 0.00 174.94 174.42 3pep s THR 74 N 2.29 5.31 0.00 2.92 2.01 -1.26 -1.41 115.64 125.49 3pep s THR 74 Ca -0.03 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3pep s THR 74 Cb -0.11 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.05 3pep s THR 74 CO -0.12 0.54 0.00 -1.22 -0.69 0.00 0.00 174.62 173.13 3pep n TYR 75 N 1.74 0.00 0.06 4.92 4.02 0.76 -4.98 117.16 123.68 3pep n TYR 75 Ca -0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3pep n TYR 75 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.80 3pep n TYR 75 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3pep h GLY 76 N 0.00 0.00 1.62 2.72 0.00 -2.02 -3.26 103.07 102.12 3pep h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3pep h GLY 76 CO 0.00 0.00 -0.21 -1.30 0.00 0.00 0.00 176.54 175.03 3pep n THR 77 N -3.03 0.08 -0.49 4.70 -2.24 -1.26 -5.04 114.28 106.99 3pep n THR 77 Ca -0.06 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3pep n THR 77 Cb 0.83 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3pep n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pep n GLY 78 N 1.47 0.47 3.22 3.38 0.00 -1.23 -4.83 105.19 107.67 3pep n GLY 78 Ca 0.06 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3pep n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pep s SER 79 N -4.00 0.48 0.08 1.61 0.01 -1.26 -0.17 113.70 110.45 3pep s SER 79 Ca 0.00 -1.35 -0.20 0.00 1.31 0.00 0.00 55.95 55.70 3pep s SER 79 Cb 0.00 0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.58 3pep s SER 79 CO 0.00 -0.78 0.48 0.00 0.41 0.00 0.00 173.24 173.35 3pep s MET 80 N -4.10 1.05 0.05 12.44 0.23 -0.50 -3.94 119.30 124.53 3pep s MET 80 Ca 0.36 -0.39 0.02 0.00 -1.03 0.00 0.00 55.69 54.66 3pep s MET 80 Cb 0.07 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.82 3pep s MET 80 CO 0.11 -0.39 -0.08 0.95 -2.03 0.00 0.00 175.02 173.57 3pep s THR 81 N -2.89 0.59 0.00 3.16 -4.23 -0.81 -1.05 115.64 110.41 3pep s THR 81 Ca -0.03 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3pep s THR 81 Cb -0.00 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.08 3pep s THR 81 CO -0.05 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3pep n GLY 82 N 1.28 2.78 3.19 3.99 0.00 0.71 -1.20 105.19 115.95 3pep n GLY 82 Ca -0.21 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 3pep n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3pep s ILE 83 N -2.64 1.22 0.63 -0.61 -4.36 -0.90 -0.87 121.20 113.68 3pep s ILE 83 Ca 0.00 -1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 58.97 3pep s ILE 83 Cb 0.00 -1.19 0.04 0.00 1.25 0.00 0.00 42.46 42.57 3pep s ILE 83 CO 0.00 -0.22 0.91 -0.76 0.24 0.00 0.00 174.94 175.11 3pep s LEU 84 N -1.83 3.05 0.07 0.37 1.43 -0.75 -1.06 118.68 119.96 3pep s LEU 84 Ca 0.00 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.18 3pep s LEU 84 Cb -0.10 -3.10 0.09 0.00 0.03 0.00 0.00 46.19 43.11 3pep s LEU 84 CO 0.03 -1.34 1.13 -0.83 0.23 0.00 0.00 176.35 175.56 3pep s GLY 85 N -4.44 -0.32 -0.12 -3.19 0.00 0.09 -3.62 107.32 95.71 3pep s GLY 85 Ca 0.58 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.74 3pep s GLY 85 CO 0.43 0.06 -0.22 -0.19 0.00 0.00 0.00 173.10 173.18 3pep s TYR 86 N -2.85 2.63 0.26 1.90 1.51 -0.50 -0.23 117.35 120.07 3pep s TYR 86 Ca 0.13 -1.07 -0.13 0.00 -1.01 0.00 0.00 57.07 54.99 3pep s TYR 86 Cb 0.02 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.11 3pep s TYR 86 CO -0.01 -0.44 0.51 0.34 -1.11 0.00 0.00 175.55 174.83 3pep s ASP 87 N 0.48 -0.02 0.10 2.29 -1.08 -0.61 -0.92 116.67 116.91 3pep s ASP 87 Ca -0.15 -0.97 -0.30 0.00 -0.52 0.00 0.00 52.55 50.62 3pep s ASP 87 Cb -0.17 0.61 -0.06 0.00 -1.46 0.00 0.00 42.92 41.84 3pep s ASP 87 CO 0.06 -1.19 1.01 -0.89 0.52 0.00 0.00 175.17 174.68 3pep s THR 88 N -3.86 4.38 -0.16 1.71 2.01 -1.26 -0.77 115.64 117.70 3pep s THR 88 Ca 0.22 1.93 0.02 0.00 0.31 0.00 0.00 61.69 64.16 3pep s THR 88 Cb -0.01 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.28 3pep s THR 88 CO 0.10 0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.41 3pep s VAL 89 N 0.18 2.14 -0.30 3.82 1.01 -0.47 -1.25 120.40 125.53 3pep s VAL 89 Ca 0.49 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 3pep s VAL 89 Cb -0.25 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3pep s VAL 89 CO 0.31 0.54 0.56 -1.10 0.00 0.00 0.00 175.10 175.41 3pep s GLN 90 N 1.03 3.90 -0.16 2.72 -0.21 -0.36 -1.58 119.66 125.00 3pep s GLN 90 Ca -0.02 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.52 3pep s GLN 90 Cb -0.14 -3.72 0.07 0.00 1.00 0.00 0.00 33.01 30.21 3pep s GLN 90 CO -0.06 -0.51 0.14 0.54 -2.12 0.00 0.00 175.29 173.28 3pep s VAL 91 N 2.45 -0.19 -1.36 1.09 0.11 -0.19 -0.76 120.40 121.56 3pep s VAL 91 Ca 0.22 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 3pep s VAL 91 Cb -0.15 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3pep s VAL 91 CO 0.11 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 3pep n GLY 92 N 5.30 1.34 0.00 6.54 0.00 -1.26 -1.28 105.19 115.83 3pep n GLY 92 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3pep n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pep n GLY 93 N -1.10 2.19 3.77 -0.02 0.00 -1.26 -0.29 105.19 108.47 3pep n GLY 93 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3pep n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pep s ILE 94 N -2.20 5.01 -0.70 -0.61 1.01 -0.40 -5.00 121.20 118.30 3pep s ILE 94 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 60.65 61.52 3pep s ILE 94 Cb 0.00 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.76 3pep s ILE 94 CO 0.00 0.44 0.80 -0.44 0.00 0.00 0.00 174.94 175.74 3pep s SER 95 N -0.21 6.38 -0.74 3.58 0.01 -1.26 -1.02 113.70 120.43 3pep s SER 95 Ca 0.27 -1.78 -0.26 0.00 1.31 0.00 0.00 55.95 55.49 3pep s SER 95 Cb -0.17 -2.31 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 3pep s SER 95 CO 0.14 -1.01 1.68 -0.62 0.41 0.00 0.00 173.24 173.84 3pep s ASP 96 N 3.37 5.61 0.55 2.44 3.68 -0.61 -4.93 116.67 126.78 3pep s ASP 96 Ca 0.17 -0.24 -0.20 0.00 2.13 0.00 0.00 52.55 54.41 3pep s ASP 96 Cb -0.18 -2.55 -0.05 0.00 -1.45 0.00 0.00 42.92 38.70 3pep s ASP 96 CO 0.00 -2.21 1.22 0.42 0.13 0.00 0.00 175.17 174.73 3pep s THR 97 N 7.95 2.68 -0.60 1.71 -4.23 -1.26 -1.37 115.64 120.52 3pep s THR 97 Ca 0.57 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.50 3pep s THR 97 Cb -0.09 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3pep s THR 97 CO 0.12 -0.06 0.41 -0.46 -0.54 0.00 0.00 174.62 174.09 3pep n ASN 98 N -1.26 -3.17 -4.80 3.99 6.94 -1.21 -4.90 115.26 110.85 3pep n ASN 98 Ca 0.12 -0.70 -0.37 0.00 -0.02 0.00 0.00 54.58 53.60 3pep n ASN 98 Cb 0.49 -1.08 -0.06 0.00 -2.36 0.00 0.00 39.78 36.77 3pep n ASN 98 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3pep s GLN 99 N -4.42 3.98 0.10 -3.83 2.00 0.05 -4.82 119.66 112.73 3pep s GLN 99 Ca 0.05 0.22 -0.23 0.00 -2.00 0.00 0.00 55.36 53.40 3pep s GLN 99 Cb -0.03 -3.30 -0.07 0.00 0.80 0.00 0.00 33.01 30.41 3pep s GLN 99 CO 0.62 0.52 0.69 -1.50 -0.50 0.00 0.00 175.29 175.11 3pep s ILE 100 N -0.43 4.59 0.14 -2.34 2.07 -1.26 -1.57 121.20 122.41 3pep s ILE 100 Ca 0.20 1.49 -0.17 0.00 -1.41 0.00 0.00 60.65 60.76 3pep s ILE 100 Cb -0.15 -4.04 0.04 0.00 0.13 0.00 0.00 42.46 38.45 3pep s ILE 100 CO 0.08 0.50 0.44 0.72 -1.91 0.00 0.00 174.94 174.78 3pep s PHE 101 N -0.89 -0.22 -0.02 3.50 -0.71 0.69 -4.78 117.98 115.54 3pep s PHE 101 Ca 0.33 -0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 55.99 3pep s PHE 101 Cb -0.21 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 3pep s PHE 101 CO 0.23 -0.75 0.39 0.20 -1.34 0.00 0.00 175.22 173.94 3pep s GLY 102 N -2.81 2.44 -0.33 1.99 0.00 -0.25 -0.73 107.32 107.63 3pep s GLY 102 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.43 3pep s GLY 102 CO -0.10 0.16 0.10 1.08 0.00 0.00 0.00 173.10 174.34 3pep s LEU 103 N -0.88 4.17 0.50 0.66 1.02 -0.22 -1.46 118.68 122.47 3pep s LEU 103 Ca 0.23 -0.98 -0.20 0.00 0.02 0.00 0.00 54.13 53.20 3pep s LEU 103 Cb -0.16 -1.88 -0.08 0.00 0.02 0.00 0.00 46.19 44.09 3pep s LEU 103 CO 0.12 -0.28 1.06 -0.94 0.02 0.00 0.00 176.35 176.33 3pep s SER 104 N 1.44 6.17 -0.10 2.29 1.04 -0.40 -2.12 113.70 122.02 3pep s SER 104 Ca 0.00 2.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.39 3pep s SER 104 Cb -0.19 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3pep s SER 104 CO 0.03 -0.91 -0.12 -0.62 0.98 0.00 0.00 173.24 172.60 3pep n GLU 105 N -1.06 0.20 -4.19 4.02 1.02 -0.34 -2.99 120.64 117.31 3pep n GLU 105 Ca 0.10 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 57.15 3pep n GLU 105 Cb 0.52 -0.87 -0.12 0.00 -0.02 0.00 0.00 31.44 30.95 3pep n GLU 105 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3pep s THR 106 N -2.17 1.15 -0.41 2.62 -4.23 -1.00 -3.81 115.64 107.78 3pep s THR 106 Ca -0.13 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3pep s THR 106 Cb 0.05 -1.20 0.17 0.00 1.34 0.00 0.00 72.50 72.86 3pep s THR 106 CO 0.17 -0.29 0.45 -1.61 -0.54 0.00 0.00 174.62 172.80 3pep s GLU 107 N -2.03 0.78 0.14 3.99 2.02 -1.26 -1.92 118.70 120.42 3pep s GLU 107 Ca 0.01 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 3pep s GLU 107 Cb -0.08 -0.66 0.03 0.00 0.10 0.00 0.00 34.13 33.52 3pep s GLU 107 CO 0.02 -1.25 0.11 -2.30 0.02 0.00 0.00 175.26 171.86 3pep n PRO 108 N 3.79 -1.48 -2.06 0.39 -0.02 -1.25 -4.51 135.00 129.86 3pep n PRO 108 Ca 0.16 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3pep n PRO 108 Cb 0.48 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 3pep n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3pep n GLY 109 N 1.17 -5.31 0.01 -1.23 0.00 -1.26 -4.70 105.19 93.87 3pep n GLY 109 Ca 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.81 3pep n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pep n SER 110 N 1.40 0.05 -0.14 1.61 3.41 -1.26 -2.43 113.62 116.26 3pep n SER 110 Ca 0.00 0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 59.03 3pep n SER 110 Cb 0.00 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 3pep n SER 110 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3pep h PHE 111 N 0.00 -1.25 0.00 7.33 3.04 -1.88 -0.25 116.94 123.93 3pep h PHE 111 Ca 0.00 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.02 3pep h PHE 111 Cb 0.18 0.61 0.00 0.00 2.56 0.00 0.00 35.95 39.30 3pep h PHE 111 CO 0.00 -0.44 0.00 1.28 -2.02 0.00 0.00 178.31 177.13 3pep n LEU 112 N -5.41 0.61 0.02 0.59 4.32 -1.02 -1.04 117.00 115.07 3pep n LEU 112 Ca -0.00 0.68 -0.18 0.00 -0.02 0.00 0.00 56.01 56.48 3pep n LEU 112 Cb 0.35 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.38 3pep n LEU 112 CO 0.03 -0.65 0.16 0.22 -1.22 0.00 0.00 177.39 175.93 3pep h TYR 113 N 0.00 0.48 0.00 -1.77 5.03 -1.22 -3.34 116.97 116.15 3pep h TYR 113 Ca 0.00 -0.32 -0.04 0.00 2.58 0.00 0.00 58.73 60.95 3pep h TYR 113 Cb 0.26 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 3pep h TYR 113 CO 0.00 1.21 -0.18 1.88 -1.32 0.00 0.00 178.16 179.75 3pep h TYR 114 N -0.38 0.00 -2.42 -3.82 0.05 -0.87 -3.45 116.97 106.07 3pep h TYR 114 Ca -0.10 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.12 3pep h TYR 114 Cb 1.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.19 3pep h TYR 114 CO 0.19 0.18 1.24 0.00 -1.05 0.00 0.00 178.16 178.72 3pep s ALA 115 N -3.24 3.32 -1.47 3.88 0.00 -0.21 -4.90 121.76 119.15 3pep s ALA 115 Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3pep s ALA 115 Cb 0.07 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3pep s ALA 115 CO 0.68 -1.91 0.70 -0.35 0.00 0.00 0.00 175.76 174.88 3pep n PRO 116 N 7.77 0.00 -3.98 0.00 -0.04 -1.26 -4.69 135.00 132.81 3pep n PRO 116 Ca 0.21 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.67 3pep n PRO 116 Cb 0.43 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 3pep n PRO 116 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3pep s PHE 117 N -2.41 2.80 -0.15 0.54 -0.71 -1.26 -5.01 117.98 111.78 3pep s PHE 117 Ca 0.00 -0.34 -0.16 0.00 -1.04 0.00 0.00 56.93 55.39 3pep s PHE 117 Cb 0.00 -1.70 -0.13 0.00 -1.21 0.00 0.00 43.02 39.98 3pep s PHE 117 CO 0.00 0.28 0.23 -0.44 -1.34 0.00 0.00 175.22 173.94 3pep h ASP 118 N 1.42 0.00 -0.13 1.98 3.32 -1.51 -3.49 116.42 118.00 3pep h ASP 118 Ca -0.44 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.20 3pep h ASP 118 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3pep h ASP 118 CO 0.61 0.96 0.00 0.61 -1.72 0.00 0.00 179.24 179.70 3pep n GLY 119 N 1.60 4.96 2.93 2.75 0.00 -0.69 -4.48 105.19 112.26 3pep n GLY 119 Ca -0.13 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 3pep n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pep s ILE 120 N -1.20 0.00 -0.18 -0.61 1.01 -1.00 -2.04 121.20 117.19 3pep s ILE 120 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 3pep s ILE 120 Cb 0.00 -0.09 0.04 0.00 0.01 0.00 0.00 42.46 42.42 3pep s ILE 120 CO 0.00 -0.01 -0.06 -0.22 0.00 0.00 0.00 174.94 174.65 3pep s LEU 121 N 0.01 1.82 -0.03 2.97 0.20 0.95 -2.66 118.68 121.94 3pep s LEU 121 Ca -0.00 -0.77 -0.10 0.00 0.69 0.00 0.00 54.13 53.95 3pep s LEU 121 Cb -0.01 -0.99 -0.05 0.00 -0.43 0.00 0.00 46.19 44.72 3pep s LEU 121 CO 0.00 -0.19 0.28 -0.83 -0.29 0.00 0.00 176.35 175.33 3pep s GLY 122 N 1.57 2.31 -0.15 7.98 0.00 -1.06 0.17 107.32 118.15 3pep s GLY 122 Ca -0.00 -0.45 0.18 0.00 0.00 0.00 0.00 44.72 44.44 3pep s GLY 122 CO -0.08 -0.17 1.22 1.04 0.00 0.00 0.00 173.10 175.12 3pep n LEU 123 N 1.66 2.76 0.00 0.66 4.77 0.26 -4.54 117.00 122.58 3pep n LEU 123 Ca -0.15 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.71 3pep n LEU 123 Cb 0.53 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3pep n LEU 123 CO 0.36 0.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.16 3pep n ALA 124 N -1.20 0.00 -1.79 -1.18 0.00 -0.93 -4.82 120.51 110.59 3pep n ALA 124 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3pep n ALA 124 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 3pep n ALA 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3pep s TYR 125 N 1.08 3.10 0.36 0.00 2.02 0.24 -4.76 117.35 119.38 3pep s TYR 125 Ca 0.00 1.60 0.21 0.00 -0.37 0.00 0.00 57.07 58.52 3pep s TYR 125 Cb 0.00 -3.11 1.17 0.00 -0.40 0.00 0.00 41.96 39.62 3pep s TYR 125 CO 0.00 -0.78 1.61 -1.00 -1.57 0.00 0.00 175.55 173.81 3pep h PRO 126 N 1.96 0.00 -0.74 -1.71 0.13 -1.93 -1.76 132.00 127.96 3pep h PRO 126 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3pep h PRO 126 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3pep h PRO 126 CO 0.60 0.00 0.48 0.66 -0.23 0.00 0.00 178.00 179.51 3pep h SER 127 N 0.00 0.81 -0.18 1.44 4.64 -1.90 -1.59 113.55 116.76 3pep h SER 127 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3pep h SER 127 Cb 0.65 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3pep h SER 127 CO 0.00 0.57 0.00 2.30 -0.87 0.00 0.00 176.83 178.83 3pep n ILE 128 N -4.60 0.24 -2.92 0.95 -5.35 -0.66 -4.79 119.36 102.23 3pep n ILE 128 Ca 0.07 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 3pep n ILE 128 Cb 0.05 0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 38.06 3pep n ILE 128 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3pep s SER 129 N -1.26 6.77 0.51 7.28 0.15 -0.60 -4.64 113.70 121.90 3pep s SER 129 Ca 0.23 0.91 -0.23 0.00 0.70 0.00 0.00 55.95 57.56 3pep s SER 129 Cb 0.12 -2.42 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 3pep s SER 129 CO 0.17 -0.54 1.40 0.00 1.20 0.00 0.00 173.24 175.47 3pep n ALA 130 N 6.06 1.80 -0.96 5.45 0.00 -1.26 -1.42 120.51 130.18 3pep n ALA 130 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3pep n ALA 130 Cb 0.48 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3pep n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3pep n SER 131 N -0.69 -4.69 -1.95 0.00 7.64 -1.26 -2.09 113.62 110.57 3pep n SER 131 Ca 0.08 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 3pep n SER 131 Cb 0.43 -2.70 -0.03 0.00 -1.01 0.00 0.00 64.21 60.90 3pep n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3pep n GLY 132 N -0.17 0.17 3.72 0.23 0.00 -0.50 -4.94 105.19 103.70 3pep n GLY 132 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3pep n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pep s ALA 133 N -2.87 3.60 0.01 4.61 0.00 -0.89 -4.94 121.76 121.29 3pep s ALA 133 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3pep s ALA 133 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3pep s ALA 133 CO 0.00 -0.63 1.93 0.99 0.00 0.00 0.00 175.76 178.05 3pep s THR 134 N 0.77 3.10 0.22 0.00 2.01 -1.26 -4.86 115.64 115.61 3pep s THR 134 Ca 0.63 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 3pep s THR 134 Cb -0.38 -3.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 3pep s THR 134 CO 0.33 -0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.16 3pep s PRO 135 N 4.49 4.65 0.02 4.92 0.04 -1.26 -4.66 135.00 143.21 3pep s PRO 135 Ca 0.87 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 3pep s PRO 135 Cb -0.41 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 3pep s PRO 135 CO 0.40 0.19 0.34 0.28 0.04 0.00 0.00 177.00 178.24 3pep n VAL 136 N 1.88 -0.10 -0.01 -0.36 0.31 -1.26 -0.68 118.33 118.11 3pep n VAL 136 Ca 0.01 0.52 -0.10 0.00 -0.01 0.00 0.00 64.34 64.75 3pep n VAL 136 Cb 0.46 -0.66 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 3pep n VAL 136 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3pep h PHE 137 N 0.00 -0.90 -1.01 3.52 3.04 -1.92 0.12 116.94 119.79 3pep h PHE 137 Ca 0.02 0.04 0.24 0.00 3.98 0.00 0.00 57.97 62.25 3pep h PHE 137 Cb 0.06 0.42 -0.11 0.00 2.56 0.00 0.00 35.95 38.88 3pep h PHE 137 CO -0.25 -0.40 0.62 -0.44 -2.02 0.00 0.00 178.31 175.82 3pep h ASP 138 N -0.39 0.62 0.90 0.41 3.32 -1.27 0.22 116.42 120.22 3pep h ASP 138 Ca 0.10 0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 3pep h ASP 138 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3pep h ASP 138 CO -0.37 0.15 -0.74 -1.13 -1.72 0.00 0.00 179.24 175.43 3pep h ASN 139 N 0.56 0.00 -0.00 6.45 -1.24 -0.24 -0.79 115.58 120.33 3pep h ASN 139 Ca 0.60 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.61 3pep h ASN 139 Cb 1.23 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.28 3pep h ASN 139 CO -0.38 0.74 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.43 3pep h LEU 140 N 0.00 0.01 -0.50 0.34 3.38 0.18 -3.13 115.31 115.58 3pep h LEU 140 Ca -0.01 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 3pep h LEU 140 Cb 1.40 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 3pep h LEU 140 CO 0.10 0.41 0.31 -0.25 0.09 0.00 0.00 178.44 179.10 3pep h TRP 141 N -0.40 0.65 0.00 1.13 -0.00 -0.98 -0.96 115.95 115.39 3pep h TRP 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3pep h TRP 141 Cb 0.41 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.36 3pep h TRP 141 CO 0.07 0.44 0.00 -0.44 -0.00 0.00 0.00 178.44 178.51 3pep h ASP 142 N 0.67 0.00 -0.01 2.65 3.32 -1.21 -0.87 116.42 120.96 3pep h ASP 142 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3pep h ASP 142 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3pep h ASP 142 CO -0.03 0.00 -0.40 0.00 -1.72 0.00 0.00 179.24 177.08 3pep n GLN 143 N -2.91 1.53 -1.58 3.56 6.02 -0.96 -5.00 117.38 118.04 3pep n GLN 143 Ca -0.02 -0.82 -0.12 0.00 -0.01 0.00 0.00 57.00 56.03 3pep n GLN 143 Cb 0.11 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 3pep n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3pep n GLY 144 N 1.24 0.91 0.00 1.08 0.00 -0.33 -4.89 105.19 103.20 3pep n GLY 144 Ca 0.07 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.71 3pep n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pep n LEU 145 N -1.44 0.00 -4.14 0.99 4.77 -0.44 -4.61 117.00 112.13 3pep n LEU 145 Ca -0.12 0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3pep n LEU 145 Cb 0.45 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 3pep n LEU 145 CO 0.17 -0.21 -0.42 0.68 -1.33 0.00 0.00 177.39 176.29 3pep s VAL 146 N -2.85 0.86 -0.04 4.08 -7.23 -1.26 -4.69 120.40 109.27 3pep s VAL 146 Ca 0.10 -1.43 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3pep s VAL 146 Cb 0.10 -1.10 -0.25 0.00 0.56 0.00 0.00 36.38 35.69 3pep s VAL 146 CO 0.26 -0.45 0.69 0.77 -0.31 0.00 0.00 175.10 176.06 3pep h SER 147 N 3.95 0.20 -4.10 4.85 4.64 -1.81 -3.47 113.55 117.81 3pep h SER 147 Ca -0.38 -0.37 -0.66 0.00 -0.47 0.00 0.00 61.79 59.92 3pep h SER 147 Cb 1.19 -0.07 -0.31 0.00 -0.31 0.00 0.00 62.40 62.91 3pep h SER 147 CO 0.47 1.32 -0.87 -1.10 -0.87 0.00 0.00 176.83 175.78 3pep s GLN 148 N -2.60 2.28 -0.88 4.77 -0.21 -1.26 -5.02 119.66 116.74 3pep s GLN 148 Ca -0.10 -0.84 -0.08 0.00 0.02 0.00 0.00 55.36 54.37 3pep s GLN 148 Cb 0.07 -1.99 -0.15 0.00 1.00 0.00 0.00 33.01 31.95 3pep s GLN 148 CO 0.82 0.38 3.21 -3.47 -2.12 0.00 0.00 175.29 174.11 3pep n ASP 149 N 2.89 7.17 -3.67 5.90 2.03 -1.26 -4.40 116.55 125.22 3pep n ASP 149 Ca -0.17 -2.59 -0.12 0.00 0.52 0.00 0.00 54.79 52.43 3pep n ASP 149 Cb 0.52 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.38 3pep n ASP 149 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3pep s LEU 150 N -0.12 0.46 0.02 -2.67 0.05 -1.26 -0.50 118.68 114.66 3pep s LEU 150 Ca 0.67 -0.08 0.01 0.00 0.05 0.00 0.00 54.13 54.79 3pep s LEU 150 Cb 0.25 1.71 -0.02 0.00 -2.05 0.00 0.00 46.19 46.08 3pep s LEU 150 CO -0.04 -0.69 -0.05 0.72 -0.55 0.00 0.00 176.35 175.74 3pep s PHE 151 N -2.70 0.41 0.07 3.48 -0.12 -0.83 -1.69 117.98 116.59 3pep s PHE 151 Ca -0.04 -0.42 0.08 0.00 -0.05 0.00 0.00 56.93 56.51 3pep s PHE 151 Cb -0.00 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3pep s PHE 151 CO -0.04 -0.11 -0.21 -1.54 -0.05 0.00 0.00 175.22 173.27 3pep s SER 152 N -1.21 3.64 -0.10 1.98 1.04 -0.46 -0.93 113.70 117.65 3pep s SER 152 Ca -0.10 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3pep s SER 152 Cb -0.08 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.53 3pep s SER 152 CO -0.00 0.23 -0.15 -0.69 0.98 0.00 0.00 173.24 173.61 3pep s VAL 153 N -0.96 2.91 -0.07 5.02 1.01 0.28 -1.26 120.40 127.32 3pep s VAL 153 Ca 0.15 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3pep s VAL 153 Cb -0.10 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3pep s VAL 153 CO 0.06 0.55 -0.21 -0.47 0.00 0.00 0.00 175.10 175.02 3pep s TYR 154 N 0.07 2.55 -0.16 5.22 6.14 -0.55 -3.37 117.35 127.25 3pep s TYR 154 Ca -0.06 -0.64 -0.02 0.00 0.64 0.00 0.00 57.07 56.99 3pep s TYR 154 Cb -0.15 -1.65 0.05 0.00 0.42 0.00 0.00 41.96 40.63 3pep s TYR 154 CO 0.05 -0.16 0.02 -1.17 0.64 0.00 0.00 175.55 174.92 3pep s LEU 155 N -0.14 1.13 0.57 6.97 2.96 -1.26 -1.92 118.68 126.99 3pep s LEU 155 Ca -0.03 -0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 3pep s LEU 155 Cb -0.14 -0.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.89 3pep s LEU 155 CO 0.04 -0.26 1.07 -0.94 -1.32 0.00 0.00 176.35 174.93 3pep s SER 156 N 1.85 5.82 0.29 3.68 1.04 -1.26 -4.44 113.70 120.68 3pep s SER 156 Ca 0.00 1.91 0.07 0.00 0.48 0.00 0.00 55.95 58.41 3pep s SER 156 Cb -0.16 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3pep s SER 156 CO -0.07 -1.14 0.28 -0.44 0.98 0.00 0.00 173.24 172.85 3pep s SER 157 N -2.46 5.60 -1.06 7.02 0.01 -1.26 -4.74 113.70 116.81 3pep s SER 157 Ca 0.66 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.63 3pep s SER 157 Cb -0.18 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.76 3pep s SER 157 CO 0.32 -0.19 0.00 0.59 0.41 0.00 0.00 173.24 174.37 3pep n ASN 158 N -1.32 -4.44 -3.02 2.44 4.13 -1.26 -3.70 115.26 108.09 3pep n ASN 158 Ca -0.05 0.25 -0.01 0.00 1.68 0.00 0.00 54.58 56.44 3pep n ASN 158 Cb 0.58 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 36.00 3pep n ASN 158 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3pep n ASP 159 N 0.02 -7.79 -4.25 6.41 9.92 -1.26 -5.07 116.55 114.53 3pep n ASP 159 Ca -0.10 0.02 -0.21 0.00 -0.53 0.00 0.00 54.79 53.98 3pep n ASP 159 Cb 0.37 -5.30 -0.12 0.00 -0.64 0.00 0.00 41.12 35.43 3pep n ASP 159 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3pep s ASP 160 N -2.93 2.22 0.95 -2.24 -0.00 -1.24 -5.11 116.67 108.32 3pep s ASP 160 Ca 0.04 -0.72 -0.12 0.00 -0.00 0.00 0.00 52.55 51.75 3pep s ASP 160 Cb -0.01 -0.10 0.16 0.00 -0.00 0.00 0.00 42.92 42.96 3pep s ASP 160 CO 0.75 -0.03 1.09 -0.94 -0.00 0.00 0.00 175.17 176.04 3pep s SER 161 N -2.08 3.00 0.00 0.27 1.04 -1.26 -4.62 113.70 110.05 3pep s SER 161 Ca 0.06 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.95 3pep s SER 161 Cb -0.08 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3pep s SER 161 CO 0.04 -2.93 0.00 0.61 0.98 0.00 0.00 173.24 171.94 3pep n GLY 162 N -0.85 1.18 3.48 7.32 0.00 -1.26 -4.97 105.19 110.09 3pep n GLY 162 Ca 0.06 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 3pep n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3pep n SER 163 N 0.00 -0.21 -3.68 1.61 7.64 -1.26 -4.84 113.62 112.88 3pep n SER 163 Ca 0.00 1.10 -0.12 0.00 1.01 0.00 0.00 58.87 60.86 3pep n SER 163 Cb 0.00 -1.11 -0.06 0.00 -1.01 0.00 0.00 64.21 62.03 3pep n SER 163 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3pep s VAL 164 N -1.13 0.07 -0.23 0.44 -7.23 -0.81 -0.76 120.40 110.75 3pep s VAL 164 Ca 0.61 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 60.22 3pep s VAL 164 Cb -0.77 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.17 3pep s VAL 164 CO 0.58 -0.31 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.25 3pep s VAL 165 N -2.92 2.50 -0.42 1.32 1.01 -0.72 -1.48 120.40 119.69 3pep s VAL 165 Ca -0.02 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3pep s VAL 165 Cb 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3pep s VAL 165 CO -0.06 0.28 0.85 -0.76 0.00 0.00 0.00 175.10 175.42 3pep s LEU 166 N 1.28 4.10 -0.49 3.92 2.01 -0.39 -2.39 118.68 126.71 3pep s LEU 166 Ca 0.00 0.21 -0.25 0.00 0.01 0.00 0.00 54.13 54.11 3pep s LEU 166 Cb -0.16 -3.10 0.03 0.00 0.01 0.00 0.00 46.19 42.97 3pep s LEU 166 CO -0.07 -0.90 0.90 -0.76 1.01 0.00 0.00 176.35 176.53 3pep s LEU 167 N 3.42 4.09 0.00 1.79 1.02 -0.43 -1.36 118.68 127.21 3pep s LEU 167 Ca 0.34 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3pep s LEU 167 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.07 3pep s LEU 167 CO 0.22 -1.09 0.00 0.61 0.02 0.00 0.00 176.35 176.11 3pep n GLY 168 N 5.01 0.77 3.60 -3.19 0.00 -0.68 0.59 105.19 111.29 3pep n GLY 168 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.37 3pep n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pep s GLY 169 N -2.90 -0.40 -0.01 -0.02 0.00 -1.23 -4.07 107.32 98.69 3pep s GLY 169 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 44.72 45.88 3pep s GLY 169 CO 0.00 0.28 -0.16 -0.42 0.00 0.00 0.00 173.10 172.79 3pep s ILE 170 N -2.23 1.30 -0.55 0.90 1.01 -1.26 -3.73 121.20 116.64 3pep s ILE 170 Ca 0.13 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3pep s ILE 170 Cb 0.04 -1.08 0.14 0.00 0.01 0.00 0.00 42.46 41.57 3pep s ILE 170 CO -0.05 0.37 0.43 -0.62 0.00 0.00 0.00 174.94 175.07 3pep s ASP 171 N -0.38 5.82 0.46 3.58 -1.08 -1.26 -4.97 116.67 118.83 3pep s ASP 171 Ca 0.06 -2.18 0.29 0.00 -0.52 0.00 0.00 52.55 50.21 3pep s ASP 171 Cb -0.06 -2.03 1.37 0.00 -1.46 0.00 0.00 42.92 40.73 3pep s ASP 171 CO -0.01 -0.63 1.72 0.28 0.52 0.00 0.00 175.17 177.05 3pep h SER 172 N 8.15 0.23 0.47 -0.34 0.02 -1.99 -1.76 113.55 118.34 3pep h SER 172 Ca -0.14 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3pep h SER 172 Cb 1.05 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3pep h SER 172 CO 0.83 -0.02 0.00 -1.54 -1.14 0.00 0.00 176.83 174.96 3pep n SER 173 N -4.48 0.00 -0.02 3.07 3.41 -1.26 -3.45 113.62 110.90 3pep n SER 173 Ca 0.30 0.18 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 3pep n SER 173 Cb 1.23 -0.36 0.91 0.00 -0.26 0.00 0.00 64.21 65.73 3pep n SER 173 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3pep n TYR 174 N -1.36 0.00 -3.89 7.33 4.01 -0.66 -4.71 117.16 117.88 3pep n TYR 174 Ca 0.08 -0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 3pep n TYR 174 Cb 0.18 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 3pep n TYR 174 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3pep s TYR 175 N -2.00 0.09 -0.06 -0.72 1.13 -0.84 -1.14 117.35 113.81 3pep s TYR 175 Ca 0.46 -0.26 -0.14 0.00 -1.41 0.00 0.00 57.07 55.72 3pep s TYR 175 Cb 0.21 -0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.95 3pep s TYR 175 CO 0.36 -0.32 0.36 0.99 -2.51 0.00 0.00 175.55 174.42 3pep s THR 176 N -1.86 5.17 0.00 -3.49 2.01 -0.26 -4.76 115.64 112.45 3pep s THR 176 Ca -0.11 0.71 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3pep s THR 176 Cb -0.05 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3pep s THR 176 CO -0.01 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3pep n GLY 177 N 2.35 0.58 3.45 4.40 0.00 -1.26 -4.32 105.19 110.39 3pep n GLY 177 Ca -0.13 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 3pep n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pep s SER 178 N -4.00 3.49 0.58 1.61 0.01 -1.26 -5.12 113.70 109.01 3pep s SER 178 Ca 0.00 -0.99 -0.16 0.00 1.31 0.00 0.00 55.95 56.11 3pep s SER 178 Cb 0.00 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 3pep s SER 178 CO 0.00 0.04 1.05 -0.76 0.41 0.00 0.00 173.24 173.98 3pep s LEU 179 N -3.31 3.54 -0.29 2.44 1.43 -1.26 -4.68 118.68 116.54 3pep s LEU 179 Ca 0.27 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3pep s LEU 179 Cb -0.05 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.71 3pep s LEU 179 CO 0.13 -1.07 -0.01 0.20 0.23 0.00 0.00 176.35 175.83 3pep s ASN 180 N -2.77 4.42 -1.26 2.29 0.02 -0.49 -4.88 114.94 112.27 3pep s ASN 180 Ca 0.63 -1.69 -0.20 0.00 -1.02 0.00 0.00 52.86 50.58 3pep s ASN 180 Cb -0.15 -1.44 0.01 0.00 0.02 0.00 0.00 41.25 39.68 3pep s ASN 180 CO 0.35 -0.30 1.82 0.79 0.02 0.00 0.00 177.10 179.78 3pep n TRP 181 N 4.44 3.92 -2.32 2.20 7.02 -1.26 -2.80 117.44 128.64 3pep n TRP 181 Ca -0.05 -2.31 -0.40 0.00 -1.02 0.00 0.00 57.50 53.72 3pep n TRP 181 Cb 0.42 -2.63 -0.03 0.00 -2.42 0.00 0.00 31.31 26.65 3pep n TRP 181 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3pep s VAL 182 N 6.87 3.17 0.34 -0.99 -7.23 -0.28 -4.80 120.40 117.47 3pep s VAL 182 Ca 0.60 1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 61.68 3pep s VAL 182 Cb 0.02 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 33.14 3pep s VAL 182 CO 0.10 0.25 0.92 -2.16 -0.31 0.00 0.00 175.10 173.90 3pep s PRO 183 N -1.70 4.43 0.87 4.82 0.04 -1.26 -1.12 135.00 141.09 3pep s PRO 183 Ca 0.48 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 3pep s PRO 183 Cb -0.34 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 31.68 3pep s PRO 183 CO 0.45 0.20 1.09 0.08 0.04 0.00 0.00 177.00 178.86 3pep s VAL 184 N -1.77 2.75 0.00 -0.36 1.01 -1.09 -4.54 120.40 116.39 3pep s VAL 184 Ca 0.53 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3pep s VAL 184 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3pep s VAL 184 CO 0.20 -0.32 0.00 -1.20 0.00 0.00 0.00 175.10 173.78 3pep n SER 185 N -3.80 0.00 -4.88 3.32 7.64 0.23 -4.90 113.62 111.23 3pep n SER 185 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 3pep n SER 185 Cb 0.55 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 3pep n SER 185 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3pep s VAL 186 N -0.39 5.46 -0.56 0.44 0.11 -1.26 -5.05 120.40 119.15 3pep s VAL 186 Ca 0.00 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.02 3pep s VAL 186 Cb 0.00 -3.40 0.12 0.00 -1.53 0.00 0.00 36.38 31.57 3pep s VAL 186 CO 0.00 0.58 0.58 -1.61 -3.33 0.00 0.00 175.10 171.31 3pep s GLU 187 N -1.16 3.01 0.00 1.54 2.02 -1.26 -4.20 118.70 118.66 3pep s GLU 187 Ca 0.17 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3pep s GLU 187 Cb -0.12 -4.28 0.00 0.00 0.10 0.00 0.00 34.13 29.83 3pep s GLU 187 CO 0.06 -1.40 0.00 0.41 0.02 0.00 0.00 175.26 174.35 3pep n GLY 188 N 5.26 -2.07 3.71 -1.39 0.00 -1.26 -4.81 105.19 104.63 3pep n GLY 188 Ca -0.12 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 3pep n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3pep n TYR 189 N -1.02 -3.92 -2.96 1.61 4.01 -1.26 -0.59 117.16 113.02 3pep n TYR 189 Ca 0.00 -1.17 -0.44 0.00 -0.16 0.00 0.00 57.90 56.13 3pep n TYR 189 Cb 0.00 -0.97 -0.00 0.00 -0.31 0.00 0.00 39.34 38.06 3pep n TYR 189 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3pep s TRP 190 N -3.73 3.50 -0.17 -0.72 0.52 -1.26 -4.76 118.94 112.32 3pep s TRP 190 Ca 0.72 -2.08 -0.08 0.00 0.02 0.00 0.00 56.10 54.68 3pep s TRP 190 Cb -0.02 -4.29 -0.04 0.00 -1.15 0.00 0.00 33.47 27.97 3pep s TRP 190 CO 0.50 -1.38 0.11 -1.14 0.02 0.00 0.00 176.95 175.06 3pep s GLN 191 N 1.56 3.85 0.05 4.98 0.74 -1.26 -1.35 119.66 128.23 3pep s GLN 191 Ca 0.41 -0.23 -0.00 0.00 0.05 0.00 0.00 55.36 55.59 3pep s GLN 191 Cb -0.03 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3pep s GLN 191 CO -0.01 0.46 -0.04 0.96 -0.55 0.00 0.00 175.29 176.11 3pep s ILE 192 N -0.13 0.30 -0.13 -2.34 -4.36 -0.13 0.76 121.20 115.17 3pep s ILE 192 Ca 0.09 -1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 58.65 3pep s ILE 192 Cb -0.12 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 3pep s ILE 192 CO 0.00 -0.86 0.56 -0.89 0.24 0.00 0.00 174.94 174.00 3pep s THR 193 N -3.31 5.11 -0.24 8.37 2.01 -1.26 -0.70 115.64 125.62 3pep s THR 193 Ca 0.03 1.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.98 3pep s THR 193 Cb 0.03 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3pep s THR 193 CO -0.07 0.25 0.40 -0.22 -0.69 0.00 0.00 174.62 174.29 3pep s LEU 194 N 1.03 4.09 0.07 4.42 2.96 0.60 -4.08 118.68 127.77 3pep s LEU 194 Ca 0.29 0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 54.48 3pep s LEU 194 Cb -0.16 -2.49 -0.26 0.00 0.50 0.00 0.00 46.19 43.78 3pep s LEU 194 CO 0.12 -0.15 1.14 0.44 -1.32 0.00 0.00 176.35 176.58 3pep h ASP 195 N 7.81 0.82 -5.28 3.68 3.32 -1.00 0.16 116.42 125.93 3pep h ASP 195 Ca -0.33 -0.74 0.14 0.00 0.02 0.00 0.00 57.03 56.12 3pep h ASP 195 Cb 1.16 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 3pep h ASP 195 CO 0.68 1.55 0.46 -0.94 -1.72 0.00 0.00 179.24 179.28 3pep s SER 196 N -7.36 -0.12 -0.12 6.45 1.04 -1.18 -3.48 113.70 108.93 3pep s SER 196 Ca -0.09 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 3pep s SER 196 Cb 0.06 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.79 3pep s SER 196 CO 0.92 -1.06 0.13 -0.63 0.98 0.00 0.00 173.24 173.59 3pep s ILE 197 N -2.95 -0.19 -0.02 -1.02 1.01 -1.26 -2.28 121.20 114.49 3pep s ILE 197 Ca 0.15 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.00 3pep s ILE 197 Cb -0.03 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 3pep s ILE 197 CO 0.05 -0.02 -0.15 -0.89 0.00 0.00 0.00 174.94 173.93 3pep s THR 198 N 2.23 1.16 0.00 2.92 2.01 -0.10 -1.08 115.64 122.79 3pep s THR 198 Ca 0.04 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3pep s THR 198 Cb -0.14 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3pep s THR 198 CO -0.07 0.33 0.00 0.80 -0.69 0.00 0.00 174.62 174.99 3pep n MET 199 N 2.81 0.00 -3.40 4.92 1.56 -0.68 -0.89 117.12 121.44 3pep n MET 199 Ca -0.15 0.10 -0.14 0.00 -0.27 0.00 0.00 57.70 57.23 3pep n MET 199 Cb 0.55 -0.44 -0.10 0.00 2.15 0.00 0.00 33.22 35.38 3pep n MET 199 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3pep s ASP 200 N -2.06 1.02 0.00 6.12 1.11 -1.26 -4.62 116.67 116.98 3pep s ASP 200 Ca 0.00 -0.27 0.00 0.00 0.18 0.00 0.00 52.55 52.46 3pep s ASP 200 Cb 0.00 0.72 0.00 0.00 1.07 0.00 0.00 42.92 44.71 3pep s ASP 200 CO 0.00 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 176.62 3pep n GLY 201 N 5.33 1.32 2.90 0.21 0.00 -1.26 -4.90 105.19 108.79 3pep n GLY 201 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3pep n GLY 201 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3pep s GLU 202 N 0.00 0.21 0.13 1.61 4.04 -1.26 -5.13 118.70 118.30 3pep s GLU 202 Ca 0.00 -0.06 -0.31 0.00 0.04 0.00 0.00 54.97 54.64 3pep s GLU 202 Cb 0.00 -0.23 -0.08 0.00 0.02 0.00 0.00 34.13 33.84 3pep s GLU 202 CO 0.00 0.03 1.31 0.99 -1.84 0.00 0.00 175.26 175.75 3pep s THR 203 N 0.10 3.47 -0.57 1.83 2.01 -1.26 -1.69 115.64 119.53 3pep s THR 203 Ca -0.01 1.10 0.08 0.00 0.31 0.00 0.00 61.69 63.18 3pep s THR 203 Cb -0.03 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3pep s THR 203 CO -0.00 0.11 0.45 2.30 -0.69 0.00 0.00 174.62 176.79 3pep n ILE 204 N 3.49 0.00 0.00 1.82 -5.35 -0.24 -4.90 119.36 114.18 3pep n ILE 204 Ca 0.09 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3pep n ILE 204 Cb 0.44 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 3pep n ILE 204 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pep n ALA 205 N -0.78 1.00 -3.51 -1.28 0.00 -1.16 -4.82 120.51 109.96 3pep n ALA 205 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 3pep n ALA 205 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 3pep n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pep n SER 207 N 2.79 5.61 0.00 0.00 7.64 -1.26 -3.57 113.62 124.82 3pep n SER 207 Ca 0.20 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.93 3pep n SER 207 Cb 0.39 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3pep n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3pep n GLY 208 N 2.65 -0.43 0.33 0.23 0.00 -1.26 -5.09 105.19 101.63 3pep n GLY 208 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3pep n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pep n GLY 209 N 0.00 -3.49 3.51 -0.02 0.00 -1.23 -5.08 105.19 98.87 3pep n GLY 209 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 3pep n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pep s GLN 211 N -3.71 2.97 0.05 0.00 -0.21 -1.26 -0.29 119.66 117.20 3pep s GLN 211 Ca 0.33 -0.45 0.02 0.00 0.02 0.00 0.00 55.36 55.28 3pep s GLN 211 Cb 0.05 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 3pep s GLN 211 CO 0.15 0.68 -0.08 0.00 -2.12 0.00 0.00 175.29 173.92 3pep s ALA 212 N -0.98 0.65 0.01 6.09 0.00 0.12 -2.13 121.76 125.52 3pep s ALA 212 Ca 0.16 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3pep s ALA 212 Cb -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3pep s ALA 212 CO 0.06 -0.01 -0.14 0.96 0.00 0.00 0.00 175.76 176.62 3pep s ILE 213 N -1.48 3.08 -0.43 0.00 -4.36 0.66 -0.95 121.20 117.71 3pep s ILE 213 Ca -0.08 -0.98 -0.21 0.00 -0.26 0.00 0.00 60.65 59.12 3pep s ILE 213 Cb -0.09 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.35 3pep s ILE 213 CO 0.00 0.40 0.65 -0.69 0.24 0.00 0.00 174.94 175.55 3pep s VAL 214 N -0.91 4.82 -0.27 8.37 1.01 -0.46 0.13 120.40 133.08 3pep s VAL 214 Ca 0.15 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 3pep s VAL 214 Cb -0.11 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.15 3pep s VAL 214 CO 0.05 -0.59 0.08 -0.62 0.00 0.00 0.00 175.10 174.02 3pep s ASP 215 N 2.00 3.63 0.41 3.32 -1.08 -0.19 -4.64 116.67 120.12 3pep s ASP 215 Ca 0.23 -1.34 0.11 0.00 -0.52 0.00 0.00 52.55 51.03 3pep s ASP 215 Cb -0.14 -0.70 0.87 0.00 -1.46 0.00 0.00 42.92 41.49 3pep s ASP 215 CO 0.19 -0.39 1.96 0.74 0.52 0.00 0.00 175.17 178.19 3pep h THR 216 N 6.48 1.15 0.00 1.71 2.02 -1.86 -2.94 112.91 119.48 3pep h THR 216 Ca -0.16 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3pep h THR 216 Cb 1.04 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3pep h THR 216 CO 0.43 0.20 0.00 0.61 0.37 0.00 0.00 175.52 177.13 3pep n GLY 217 N -0.98 1.49 3.11 2.16 0.00 -1.26 -4.64 105.19 105.06 3pep n GLY 217 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3pep n GLY 217 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3pep s THR 218 N -0.68 -0.01 0.06 2.61 2.01 -1.11 -5.05 115.64 113.47 3pep s THR 218 Ca 0.00 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.89 3pep s THR 218 Cb 0.00 -0.36 -0.19 0.00 0.01 0.00 0.00 72.50 71.96 3pep s THR 218 CO 0.00 0.02 1.23 0.28 -0.69 0.00 0.00 174.62 175.46 3pep h SER 219 N 6.20 0.79 -1.18 3.53 0.02 -1.82 0.27 113.55 121.35 3pep h SER 219 Ca -0.30 -0.67 -0.48 0.00 -0.84 0.00 0.00 61.79 59.49 3pep h SER 219 Cb 1.18 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 3pep h SER 219 CO 0.36 1.34 -0.26 -0.76 -1.14 0.00 0.00 176.83 176.37 3pep s LEU 220 N -8.40 3.32 -0.24 5.07 1.43 -1.26 -2.47 118.68 116.13 3pep s LEU 220 Ca -0.11 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 3pep s LEU 220 Cb 0.07 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3pep s LEU 220 CO 0.87 -0.92 0.45 -0.22 0.23 0.00 0.00 176.35 176.75 3pep s LEU 221 N -4.36 4.09 0.13 1.79 0.20 -0.56 -2.90 118.68 117.07 3pep s LEU 221 Ca 0.52 0.48 0.09 0.00 0.69 0.00 0.00 54.13 55.92 3pep s LEU 221 Cb -0.06 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 3pep s LEU 221 CO 0.32 -0.18 -0.23 -0.89 -0.29 0.00 0.00 176.35 175.08 3pep s THR 222 N 1.86 1.97 0.13 3.68 2.01 -1.02 -0.66 115.64 123.61 3pep s THR 222 Ca 0.19 -1.72 -0.01 0.00 0.31 0.00 0.00 61.69 60.46 3pep s THR 222 Cb -0.15 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.56 3pep s THR 222 CO 0.09 -0.06 0.20 0.61 -0.69 0.00 0.00 174.62 174.76 3pep n GLY 223 N 0.81 2.63 3.76 4.40 0.00 -1.08 -1.36 105.19 114.36 3pep n GLY 223 Ca -0.17 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 3pep n GLY 223 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3pep s PRO 224 N -2.27 3.29 0.56 1.61 0.04 -1.24 -2.49 135.00 134.49 3pep s PRO 224 Ca 0.10 1.79 0.31 0.00 0.04 0.00 0.00 61.00 63.24 3pep s PRO 224 Cb -0.01 -2.10 1.46 0.00 0.04 0.00 0.00 34.50 33.90 3pep s PRO 224 CO 0.07 -0.94 1.87 1.79 0.04 0.00 0.00 177.00 179.83 3pep h THR 225 N 1.27 0.46 0.14 1.26 1.35 -1.90 0.18 112.91 115.67 3pep h THR 225 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 3pep h THR 225 Cb 1.28 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3pep h THR 225 CO 0.57 0.00 -0.07 0.28 -0.25 0.00 0.00 175.52 176.05 3pep h SER 226 N 0.00 -0.16 -0.59 5.36 0.02 -1.95 -1.99 113.55 114.25 3pep h SER 226 Ca 0.36 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.46 3pep h SER 226 Cb 1.59 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 64.14 3pep h SER 226 CO -0.00 -0.04 0.41 0.00 -1.14 0.00 0.00 176.83 176.06 3pep h ALA 227 N -1.76 2.33 -0.09 3.77 0.00 -1.85 -1.78 119.26 119.88 3pep h ALA 227 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3pep h ALA 227 Cb 0.14 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3pep h ALA 227 CO 0.03 -0.49 -0.77 0.82 0.00 0.00 0.00 179.25 178.84 3pep h ILE 228 N 0.16 1.31 -0.48 0.00 1.08 -1.04 -1.72 117.51 116.81 3pep h ILE 228 Ca 0.28 -2.02 0.01 0.00 -0.39 0.00 0.00 64.86 62.75 3pep h ILE 228 Cb 0.89 2.18 -0.03 0.00 -3.07 0.00 0.00 36.82 36.79 3pep h ILE 228 CO -0.04 0.63 0.32 0.00 -0.69 0.00 0.00 178.15 178.37 3pep h ALA 229 N 0.48 1.70 -0.76 1.87 0.00 -0.52 0.47 119.26 122.50 3pep h ALA 229 Ca -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3pep h ALA 229 Cb 1.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3pep h ALA 229 CO 0.16 0.26 0.32 -0.97 0.00 0.00 0.00 179.25 179.02 3pep h ASN 230 N 0.61 1.03 0.05 0.00 -1.24 -1.38 -2.08 115.58 112.58 3pep h ASN 230 Ca 0.18 -0.16 -0.23 0.00 0.71 0.00 0.00 56.30 56.80 3pep h ASN 230 Cb -0.01 -0.27 0.01 0.00 0.73 0.00 0.00 38.32 38.79 3pep h ASN 230 CO -0.04 0.91 -0.88 0.40 -1.29 0.00 0.00 177.43 176.52 3pep h ILE 231 N 1.09 1.31 -0.04 2.57 2.04 -0.06 -3.11 117.51 121.31 3pep h ILE 231 Ca 0.26 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.96 3pep h ILE 231 Cb 0.19 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3pep h ILE 231 CO -0.02 0.67 -0.06 1.56 0.00 0.00 0.00 178.15 180.30 3pep h GLN 232 N 0.40 -0.08 0.00 2.37 1.08 -0.46 -0.55 115.11 117.87 3pep h GLN 232 Ca -0.08 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 3pep h GLN 232 Cb 1.51 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 3pep h GLN 232 CO 0.17 -0.05 -0.31 0.77 -0.95 0.00 0.00 178.83 178.45 3pep h SER 233 N -0.08 0.00 -0.02 1.46 0.02 -1.55 0.32 113.55 113.70 3pep h SER 233 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3pep h SER 233 Cb 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3pep h SER 233 CO -0.09 0.31 0.01 0.44 -1.14 0.00 0.00 176.83 176.37 3pep h ASP 234 N 0.00 0.02 0.67 3.07 3.32 -1.09 -1.84 116.42 120.59 3pep h ASP 234 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3pep h ASP 234 Cb 0.85 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3pep h ASP 234 CO 0.04 0.08 0.00 2.30 -1.72 0.00 0.00 179.24 179.94 3pep n ILE 235 N -5.05 0.61 -0.68 0.35 -5.35 -0.38 -4.91 119.36 103.94 3pep n ILE 235 Ca -0.07 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3pep n ILE 235 Cb 0.06 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 3pep n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3pep n GLY 236 N 0.56 1.09 3.86 3.28 0.00 -0.69 -5.00 105.19 108.29 3pep n GLY 236 Ca 0.05 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 3pep n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pep s ALA 237 N -2.00 3.06 0.08 4.61 0.00 0.11 -4.64 121.76 122.97 3pep s ALA 237 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 3pep s ALA 237 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3pep s ALA 237 CO 0.00 -0.59 0.01 0.45 0.00 0.00 0.00 175.76 175.63 3pep s SER 238 N -3.80 0.42 0.08 0.00 0.15 0.79 -4.48 113.70 106.86 3pep s SER 238 Ca 0.57 -1.06 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 3pep s SER 238 Cb -0.11 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.37 3pep s SER 238 CO 0.47 -0.65 0.78 -1.61 1.20 0.00 0.00 173.24 173.43 3pep s GLU 239 N -3.96 4.52 0.31 5.44 2.02 -1.26 -0.89 118.70 124.88 3pep s GLU 239 Ca 0.12 1.11 0.02 0.00 0.02 0.00 0.00 54.97 56.24 3pep s GLU 239 Cb 0.08 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 3pep s GLU 239 CO -0.06 0.37 0.48 1.21 0.02 0.00 0.00 175.26 177.28 3pep s ASN 240 N -0.39 6.31 0.21 -0.19 3.84 -0.03 -4.90 114.94 119.79 3pep s ASN 240 Ca 0.38 0.34 -0.10 0.00 0.21 0.00 0.00 52.86 53.70 3pep s ASN 240 Cb -0.21 -1.98 0.30 0.00 -0.55 0.00 0.00 41.25 38.80 3pep s ASN 240 CO 0.24 -0.21 1.70 0.28 -2.79 0.00 0.00 177.10 176.32 3pep h SER 241 N 0.97 -0.03 -0.54 -4.21 0.02 -1.98 0.24 113.55 108.03 3pep h SER 241 Ca -0.50 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3pep h SER 241 Cb 1.22 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 3pep h SER 241 CO 0.62 -0.01 0.34 -0.78 -1.14 0.00 0.00 176.83 175.86 3pep h ASP 242 N 0.24 0.64 0.00 3.07 -0.00 -2.04 -3.46 116.42 114.87 3pep h ASP 242 Ca 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.32 3pep h ASP 242 Cb 0.48 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3pep h ASP 242 CO -0.42 0.49 0.00 0.61 -0.00 0.00 0.00 179.24 179.92 3pep n GLY 243 N -1.39 1.43 3.72 -0.78 0.00 0.07 -5.13 105.19 103.11 3pep n GLY 243 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3pep n GLY 243 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3pep n GLU 244 N 0.00 1.22 -3.29 1.61 1.02 -1.26 -4.55 120.64 115.39 3pep n GLU 244 Ca 0.00 0.47 -0.46 0.00 -0.02 0.00 0.00 57.16 57.15 3pep n GLU 244 Cb 0.00 -2.50 -0.01 0.00 -0.02 0.00 0.00 31.44 28.92 3pep n GLU 244 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3pep s MET 245 N -3.18 3.97 0.25 3.49 1.75 -1.26 -0.86 119.30 123.47 3pep s MET 245 Ca 0.79 -2.86 -0.30 0.00 -1.25 0.00 0.00 55.69 52.08 3pep s MET 245 Cb -0.39 -4.56 -0.09 0.00 2.84 0.00 0.00 34.83 32.63 3pep s MET 245 CO 0.43 -1.31 0.98 0.54 -0.65 0.00 0.00 175.02 175.01 3pep s VAL 246 N -0.43 3.93 0.07 10.11 0.11 -0.07 -1.78 120.40 132.34 3pep s VAL 246 Ca 0.27 1.94 -0.02 0.00 -2.93 0.00 0.00 61.98 61.24 3pep s VAL 246 Cb -0.09 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.49 3pep s VAL 246 CO -0.08 0.46 0.02 -0.63 -3.33 0.00 0.00 175.10 171.53 3pep s ILE 247 N -1.18 0.19 -0.06 7.04 1.01 -0.41 -0.15 121.20 127.64 3pep s ILE 247 Ca 0.42 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 3pep s ILE 247 Cb -0.27 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3pep s ILE 247 CO 0.34 -0.87 0.53 -0.94 0.00 0.00 0.00 174.94 174.00 3pep s SER 248 N -2.93 6.83 0.53 3.58 1.04 -1.26 -4.22 113.70 117.27 3pep s SER 248 Ca 0.09 0.99 0.35 0.00 0.48 0.00 0.00 55.95 57.87 3pep s SER 248 Cb 0.07 -2.32 1.86 0.00 0.10 0.00 0.00 66.02 65.73 3pep s SER 248 CO -0.08 0.08 2.08 0.00 0.98 0.00 0.00 173.24 176.29 3pep h SER 250 N 0.00 0.23 -0.16 0.00 0.02 -2.00 -0.92 113.55 110.72 3pep h SER 250 Ca 0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3pep h SER 250 Cb 0.08 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3pep h SER 250 CO 0.00 0.13 0.14 0.28 -1.14 0.00 0.00 176.83 176.24 3pep h SER 251 N 0.26 0.00 -0.79 3.07 0.02 -1.49 0.32 113.55 114.94 3pep h SER 251 Ca 0.28 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3pep h SER 251 Cb 0.77 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 3pep h SER 251 CO -0.06 0.00 0.52 0.40 -1.14 0.00 0.00 176.83 176.55 3pep h ILE 252 N 0.00 1.19 0.00 3.27 2.04 -1.35 0.48 117.51 123.14 3pep h ILE 252 Ca 0.08 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3pep h ILE 252 Cb 0.36 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3pep h ILE 252 CO -0.00 0.19 0.00 0.47 0.00 0.00 0.00 178.15 178.81 3pep n ASP 253 N -4.54 0.00 0.00 1.72 9.92 0.11 -3.96 116.55 119.80 3pep n ASP 253 Ca 0.08 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 3pep n ASP 253 Cb 0.02 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 3pep n ASP 253 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3pep n SER 254 N -1.37 0.10 -4.88 -2.24 7.64 -0.51 -5.10 113.62 107.26 3pep n SER 254 Ca 0.06 -0.59 -0.35 0.00 1.01 0.00 0.00 58.87 59.00 3pep n SER 254 Cb 0.15 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 3pep n SER 254 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3pep s LEU 255 N -0.16 4.38 0.44 -3.43 2.96 0.16 -5.05 118.68 117.97 3pep s LEU 255 Ca 0.00 0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3pep s LEU 255 Cb 0.00 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 3pep s LEU 255 CO 0.00 0.26 0.70 -2.16 -1.32 0.00 0.00 176.35 173.84 3pep s PRO 256 N -1.68 3.40 0.75 0.98 0.04 -1.26 -4.75 135.00 132.47 3pep s PRO 256 Ca 0.27 -0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.07 3pep s PRO 256 Cb -0.13 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.96 3pep s PRO 256 CO 0.15 -0.14 1.13 -0.25 0.04 0.00 0.00 177.00 177.92 3pep n ASP 257 N -2.11 1.01 -4.66 6.66 10.43 -1.26 -4.69 116.55 121.93 3pep n ASP 257 Ca -0.01 0.66 -0.31 0.00 2.57 0.00 0.00 54.79 57.70 3pep n ASP 257 Cb 0.56 -1.48 -0.09 0.00 1.84 0.00 0.00 41.12 41.95 3pep n ASP 257 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3pep s ILE 258 N -1.86 3.91 -0.07 0.53 2.07 -0.53 -4.66 121.20 120.60 3pep s ILE 258 Ca 0.75 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 3pep s ILE 258 Cb -0.33 -2.81 0.01 0.00 0.13 0.00 0.00 42.46 39.47 3pep s ILE 258 CO 0.49 0.23 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.90 3pep s VAL 259 N -1.19 1.33 -0.22 4.00 1.01 -0.07 -0.44 120.40 124.82 3pep s VAL 259 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3pep s VAL 259 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3pep s VAL 259 CO 0.14 0.40 -0.13 -0.36 0.00 0.00 0.00 175.10 175.15 3pep s PHE 260 N 0.55 2.96 -0.38 5.22 0.40 -0.11 -0.93 117.98 125.69 3pep s PHE 260 Ca -0.15 -1.65 -0.14 0.00 -0.60 0.00 0.00 56.93 54.39 3pep s PHE 260 Cb -0.16 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3pep s PHE 260 CO 0.05 -0.77 0.28 0.99 0.70 0.00 0.00 175.22 176.46 3pep s THR 261 N 1.29 5.27 -0.20 0.64 2.01 -0.97 -0.23 115.64 123.45 3pep s THR 261 Ca 0.02 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 3pep s THR 261 Cb -0.15 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 3pep s THR 261 CO -0.08 -0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.95 3pep s ILE 262 N 1.71 3.09 -1.79 1.82 1.01 -0.29 -0.42 121.20 126.33 3pep s ILE 262 Ca 0.06 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 3pep s ILE 262 Cb -0.18 -2.38 0.19 0.00 0.01 0.00 0.00 42.46 40.10 3pep s ILE 262 CO 0.10 0.46 0.71 0.47 0.00 0.00 0.00 174.94 176.68 3pep n ASP 263 N 4.64 -2.67 0.00 3.58 9.92 -1.26 -2.25 116.55 128.52 3pep n ASP 263 Ca -0.19 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.96 3pep n ASP 263 Cb 0.51 -2.25 0.00 0.00 -0.64 0.00 0.00 41.12 38.74 3pep n ASP 263 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pep n GLY 264 N -1.25 3.35 3.75 0.44 0.00 -1.26 -5.08 105.19 105.14 3pep n GLY 264 Ca 0.10 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 3pep n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pep s VAL 265 N -0.02 4.89 -0.26 1.61 1.01 -0.95 -5.01 120.40 121.67 3pep s VAL 265 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 3pep s VAL 265 Cb 0.00 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.40 3pep s VAL 265 CO 0.00 0.38 1.00 -1.10 0.00 0.00 0.00 175.10 175.38 3pep s GLN 266 N 0.02 4.18 -0.30 2.72 -1.52 -1.26 -1.13 119.66 122.36 3pep s GLN 266 Ca 0.34 1.16 -0.06 0.00 -1.95 0.00 0.00 55.36 54.85 3pep s GLN 266 Cb -0.19 -3.67 0.02 0.00 -0.22 0.00 0.00 33.01 28.95 3pep s GLN 266 CO 0.18 -0.69 0.06 0.71 -0.25 0.00 0.00 175.29 175.31 3pep s TYR 267 N 3.25 3.17 0.33 0.91 2.02 0.68 -4.96 117.35 122.75 3pep s TYR 267 Ca 0.42 -1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 55.75 3pep s TYR 267 Cb -0.14 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.11 3pep s TYR 267 CO 0.09 -0.65 0.73 -1.25 -1.57 0.00 0.00 175.55 172.90 3pep s PRO 268 N 1.44 3.98 -0.25 -1.71 0.04 -1.26 -0.94 135.00 136.31 3pep s PRO 268 Ca 0.01 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.71 3pep s PRO 268 Cb -0.18 -2.43 0.05 0.00 0.04 0.00 0.00 34.50 31.98 3pep s PRO 268 CO 0.01 0.15 -0.11 -0.51 0.04 0.00 0.00 177.00 176.58 3pep s LEU 269 N -3.04 3.19 0.64 -3.56 1.43 0.42 -4.98 118.68 112.78 3pep s LEU 269 Ca 0.54 -1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 3pep s LEU 269 Cb -0.10 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3pep s LEU 269 CO 0.18 -0.15 1.07 -0.94 0.23 0.00 0.00 176.35 176.74 3pep s SER 270 N 1.18 5.53 0.28 2.29 1.04 -1.26 -1.45 113.70 121.31 3pep s SER 270 Ca -0.05 1.79 0.02 0.00 0.48 0.00 0.00 55.95 58.19 3pep s SER 270 Cb -0.18 -2.52 0.65 0.00 0.10 0.00 0.00 66.02 64.06 3pep s SER 270 CO -0.06 -1.34 1.72 -0.65 0.98 0.00 0.00 173.24 173.88 3pep h PRO 271 N 0.01 0.45 0.00 4.02 0.11 -1.85 -1.60 132.00 133.14 3pep h PRO 271 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pep h PRO 271 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3pep h PRO 271 CO 0.56 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 3pep n SER 272 N -5.00 0.00 -0.13 -2.05 3.41 -1.26 -1.61 113.62 106.97 3pep n SER 272 Ca 0.20 0.24 -0.28 0.00 -0.26 0.00 0.00 58.87 58.77 3pep n SER 272 Cb 0.57 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3pep n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pep n ALA 273 N -1.32 1.18 1.43 7.33 0.00 -0.64 -4.66 120.51 123.83 3pep n ALA 273 Ca 0.03 -1.05 0.14 0.00 0.00 0.00 0.00 53.44 52.55 3pep n ALA 273 Cb 0.05 0.05 0.47 0.00 0.00 0.00 0.00 19.45 20.02 3pep n ALA 273 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3pep n TYR 274 N -4.18 0.00 -4.33 0.00 0.18 -0.99 -4.60 117.16 103.24 3pep n TYR 274 Ca -0.52 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 58.93 3pep n TYR 274 Cb 0.88 -0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.67 3pep n TYR 274 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3pep s ILE 275 N -2.02 2.04 -0.08 -3.48 1.01 -0.64 -0.77 121.20 117.26 3pep s ILE 275 Ca 0.36 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3pep s ILE 275 Cb 0.21 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 3pep s ILE 275 CO 0.34 0.54 0.25 -0.76 0.00 0.00 0.00 174.94 175.31 3pep s LEU 276 N 1.11 4.41 -0.36 2.97 2.01 -0.56 -4.68 118.68 123.58 3pep s LEU 276 Ca 0.00 0.65 -0.12 0.00 0.01 0.00 0.00 54.13 54.68 3pep s LEU 276 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 46.19 43.78 3pep s LEU 276 CO -0.09 0.35 0.22 -1.58 1.01 0.00 0.00 176.35 176.26 3pep s GLN 277 N -0.88 3.12 0.48 1.70 0.74 -1.26 -2.37 119.66 121.18 3pep s GLN 277 Ca 0.18 -0.89 0.06 0.00 0.05 0.00 0.00 55.36 54.76 3pep s GLN 277 Cb -0.14 -3.77 -0.01 0.00 1.10 0.00 0.00 33.01 30.19 3pep s GLN 277 CO 0.07 -0.60 0.28 -0.51 -0.55 0.00 0.00 175.29 173.99 3pep s ASP 278 N 1.63 4.57 0.16 6.67 -0.00 -0.15 -5.00 116.67 124.55 3pep s ASP 278 Ca 0.04 -1.16 0.09 0.00 -0.00 0.00 0.00 52.55 51.53 3pep s ASP 278 Cb -0.18 -0.04 0.51 0.00 -0.00 0.00 0.00 42.92 43.21 3pep s ASP 278 CO 0.08 -0.81 1.24 0.47 -0.00 0.00 0.00 175.17 176.15 3pep n ASP 279 N -1.49 0.24 -0.10 0.27 8.00 -1.26 -3.20 116.55 119.01 3pep n ASP 279 Ca -0.02 0.57 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 3pep n ASP 279 Cb 0.64 -0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 3pep n ASP 279 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3pep n ASP 280 N -1.81 1.93 0.00 -2.24 2.03 -1.26 -5.12 116.55 110.08 3pep n ASP 280 Ca -0.01 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.63 3pep n ASP 280 Cb 0.09 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 3pep n ASP 280 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3pep n SER 281 N -4.39 0.73 -4.01 1.67 3.41 -1.19 -5.14 113.62 104.69 3pep n SER 281 Ca -0.25 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.09 3pep n SER 281 Cb 0.61 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 3pep n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pep s THR 283 N 1.17 1.81 0.57 0.00 -4.23 -1.00 -1.28 115.64 112.68 3pep s THR 283 Ca -0.04 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.18 3pep s THR 283 Cb -0.14 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 3pep s THR 283 CO -0.04 -0.24 1.03 -0.94 -0.54 0.00 0.00 174.62 173.89 3pep s SER 284 N -3.51 6.12 -0.37 3.99 1.04 -0.73 -1.49 113.70 118.75 3pep s SER 284 Ca 0.31 1.68 0.06 0.00 0.48 0.00 0.00 55.95 58.49 3pep s SER 284 Cb 0.04 -2.52 0.60 0.00 0.10 0.00 0.00 66.02 64.25 3pep s SER 284 CO 0.14 -0.93 1.72 0.61 0.98 0.00 0.00 173.24 175.75 3pep n GLY 285 N -1.38 4.62 3.31 7.32 0.00 0.05 -4.81 105.19 114.30 3pep n GLY 285 Ca 0.08 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3pep n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pep s PHE 286 N -3.26 2.62 -0.01 1.61 0.08 -1.25 -1.50 117.98 116.27 3pep s PHE 286 Ca 0.52 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.86 3pep s PHE 286 Cb 0.45 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3pep s PHE 286 CO 0.06 -0.24 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.83 3pep s GLU 287 N 0.09 0.93 0.15 0.44 2.12 0.17 -4.95 118.70 117.65 3pep s GLU 287 Ca -0.09 -0.40 -0.26 0.00 0.36 0.00 0.00 54.97 54.58 3pep s GLU 287 Cb -0.15 -0.90 -0.08 0.00 0.26 0.00 0.00 34.13 33.26 3pep s GLU 287 CO 0.06 0.24 0.80 0.20 -0.54 0.00 0.00 175.26 176.01 3pep s GLY 288 N -0.24 2.92 -0.14 -1.50 0.00 -1.26 -2.65 107.32 104.45 3pep s GLY 288 Ca 0.04 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 3pep s GLY 288 CO -0.00 0.97 0.93 -0.29 0.00 0.00 0.00 173.10 174.71 3pep s MET 289 N -0.91 0.69 -0.06 2.90 0.00 -1.04 -4.89 119.30 115.98 3pep s MET 289 Ca 0.37 0.18 0.04 0.00 0.00 0.00 0.00 55.69 56.29 3pep s MET 289 Cb -0.23 0.32 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 3pep s MET 289 CO 0.26 -0.21 -0.19 -0.51 0.00 0.00 0.00 175.02 174.37 3pep s ASP 290 N -1.10 3.58 0.36 1.11 1.11 -1.26 -3.67 116.67 116.80 3pep s ASP 290 Ca -0.04 -0.35 -0.25 0.00 0.18 0.00 0.00 52.55 52.09 3pep s ASP 290 Cb -0.00 -0.88 -0.13 0.00 1.07 0.00 0.00 42.92 42.97 3pep s ASP 290 CO 0.03 0.28 0.71 0.55 1.18 0.00 0.00 175.17 177.93 3pep n VAL 291 N 2.71 1.94 -2.39 -1.27 3.14 -1.26 -4.95 118.33 116.24 3pep n VAL 291 Ca -0.17 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.30 3pep n VAL 291 Cb 0.52 -0.66 -0.04 0.00 -1.06 0.00 0.00 33.84 32.60 3pep n VAL 291 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3pep s PRO 292 N -1.56 4.57 0.00 1.45 0.04 -1.26 -4.91 135.00 133.34 3pep s PRO 292 Ca 0.62 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3pep s PRO 292 Cb -0.66 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.71 3pep s PRO 292 CO 0.58 0.11 0.00 2.41 0.04 0.00 0.00 177.00 180.15 3pep n THR 293 N 1.18 0.00 -0.08 1.26 -1.04 -1.26 -0.94 114.28 113.41 3pep n THR 293 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.04 3pep n THR 293 Cb 0.44 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.18 3pep n THR 293 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3pep n SER 294 N -2.68 3.69 -3.79 8.00 7.64 -1.26 -4.95 113.62 120.28 3pep n SER 294 Ca 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 58.87 57.25 3pep n SER 294 Cb 0.00 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 3pep n SER 294 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3pep s SER 295 N -0.44 0.00 -0.06 6.43 0.01 -0.12 -5.16 113.70 114.37 3pep s SER 295 Ca 0.31 -0.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 3pep s SER 295 Cb 0.24 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.80 3pep s SER 295 CO 0.09 -0.78 0.46 -0.83 0.41 0.00 0.00 173.24 172.60 3pep s GLY 296 N -2.84 2.45 0.00 3.44 0.00 -1.26 -4.68 107.32 104.43 3pep s GLY 296 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3pep s GLY 296 CO -0.11 0.52 0.00 -2.21 0.00 0.00 0.00 173.10 171.30 3pep n GLU 297 N 2.83 0.00 -2.92 2.90 4.07 -1.26 -4.86 120.64 121.40 3pep n GLU 297 Ca -0.10 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.64 3pep n GLU 297 Cb 0.52 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.83 3pep n GLU 297 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3pep s LEU 298 N 0.00 4.34 -0.03 4.31 1.02 -1.26 -4.51 118.68 122.55 3pep s LEU 298 Ca 0.00 1.65 -0.01 0.00 0.02 0.00 0.00 54.13 55.79 3pep s LEU 298 Cb 0.00 -3.83 -0.04 0.00 0.02 0.00 0.00 46.19 42.34 3pep s LEU 298 CO 0.00 -0.03 0.06 0.26 0.02 0.00 0.00 176.35 176.66 3pep s TRP 299 N -1.58 3.25 -0.23 0.29 0.52 -0.90 -4.33 118.94 115.95 3pep s TRP 299 Ca 0.47 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.81 3pep s TRP 299 Cb -0.18 -1.75 0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3pep s TRP 299 CO 0.22 0.54 -0.12 0.42 0.02 0.00 0.00 176.95 178.03 3pep s ILE 300 N -1.10 2.39 -0.81 2.03 1.01 -0.46 -0.25 121.20 124.01 3pep s ILE 300 Ca 0.20 -1.22 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 3pep s ILE 300 Cb -0.12 -2.22 0.11 0.00 0.01 0.00 0.00 42.46 40.24 3pep s ILE 300 CO 0.10 0.21 1.03 -0.76 0.00 0.00 0.00 174.94 175.53 3pep s LEU 301 N 1.23 4.86 0.00 2.97 1.43 0.12 -2.43 118.68 126.86 3pep s LEU 301 Ca -0.02 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 3pep s LEU 301 Cb -0.17 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3pep s LEU 301 CO -0.07 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 175.92 3pep n GLY 302 N 5.42 1.15 0.27 -3.19 0.00 -1.14 -1.02 105.19 106.67 3pep n GLY 302 Ca 0.12 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.57 3pep n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3pep h ASP 303 N 0.00 0.05 0.70 1.61 3.32 -0.33 0.19 116.42 121.96 3pep h ASP 303 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3pep h ASP 303 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3pep h ASP 303 CO 0.00 0.04 0.00 0.58 -1.72 0.00 0.00 179.24 178.14 3pep h VAL 304 N 0.06 0.00 0.00 -1.35 2.07 -1.75 -1.69 116.25 113.60 3pep h VAL 304 Ca 0.02 -0.26 -0.39 0.00 0.82 0.00 0.00 66.70 66.89 3pep h VAL 304 Cb 0.02 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3pep h VAL 304 CO -0.00 0.00 -2.47 0.33 0.02 0.00 0.00 177.57 175.45 3pep n PHE 305 N -2.46 0.02 -0.22 1.57 7.35 0.62 -4.58 117.46 119.75 3pep n PHE 305 Ca 0.01 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.65 3pep n PHE 305 Cb 0.22 -1.00 0.04 0.00 0.35 0.00 0.00 39.48 39.09 3pep n PHE 305 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3pep h ILE 306 N 0.00 1.16 -1.21 -2.13 2.04 -1.41 -2.15 117.51 113.81 3pep h ILE 306 Ca -0.58 -0.29 0.36 0.00 1.00 0.00 0.00 64.86 65.35 3pep h ILE 306 Cb 1.91 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 38.11 3pep h ILE 306 CO -0.08 0.16 0.80 0.03 0.00 0.00 0.00 178.15 179.05 3pep h ARG 307 N 0.86 0.19 -0.02 2.37 3.08 -1.52 -1.02 114.38 118.33 3pep h ARG 307 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3pep h ARG 307 Cb -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3pep h ARG 307 CO -0.05 0.13 -0.25 1.04 -1.07 0.00 0.00 179.97 179.76 3pep n GLN 308 N -4.58 1.56 -3.67 0.04 1.13 -0.83 -4.77 117.38 106.26 3pep n GLN 308 Ca 0.31 -1.23 -0.15 0.00 -1.94 0.00 0.00 57.00 53.99 3pep n GLN 308 Cb 1.20 -1.47 -0.15 0.00 0.11 0.00 0.00 30.24 29.93 3pep n GLN 308 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3pep s TYR 309 N -2.29 -0.28 0.03 1.08 2.02 -0.39 -2.99 117.35 114.54 3pep s TYR 309 Ca 0.24 0.76 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 3pep s TYR 309 Cb 0.19 -0.16 -0.07 0.00 -0.40 0.00 0.00 41.96 41.52 3pep s TYR 309 CO 0.46 -0.30 1.65 -0.47 -1.57 0.00 0.00 175.55 175.31 3pep s TYR 310 N 2.32 2.30 0.02 2.71 6.14 0.70 -4.68 117.35 126.86 3pep s TYR 310 Ca 0.02 0.29 0.08 0.00 0.64 0.00 0.00 57.07 58.10 3pep s TYR 310 Cb -0.12 -3.94 -0.02 0.00 0.42 0.00 0.00 41.96 38.30 3pep s TYR 310 CO -0.07 -3.82 -0.22 0.99 0.64 0.00 0.00 175.55 173.06 3pep s THR 311 N 3.03 1.79 -0.02 4.34 2.01 -1.22 -1.74 115.64 123.84 3pep s THR 311 Ca 0.74 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 61.64 3pep s THR 311 Cb -0.38 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 3pep s THR 311 CO 0.32 0.35 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.72 3pep s VAL 312 N -0.70 1.43 -0.34 3.82 1.01 -0.31 -0.56 120.40 124.75 3pep s VAL 312 Ca 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3pep s VAL 312 Cb -0.09 -1.20 0.10 0.00 0.00 0.00 0.00 36.38 35.19 3pep s VAL 312 CO 0.01 0.41 0.06 -0.36 0.00 0.00 0.00 175.10 175.21 3pep s PHE 313 N -0.36 3.75 -0.52 5.22 0.40 -0.11 -0.65 117.98 125.72 3pep s PHE 313 Ca 0.05 -2.96 -0.21 0.00 -0.60 0.00 0.00 56.93 53.21 3pep s PHE 313 Cb -0.08 -2.94 0.05 0.00 0.51 0.00 0.00 43.02 40.56 3pep s PHE 313 CO -0.00 -0.95 0.74 0.34 0.70 0.00 0.00 175.22 176.05 3pep s ASP 314 N 0.96 6.28 0.09 1.36 -1.08 0.37 -1.97 116.67 122.68 3pep s ASP 314 Ca 0.11 -0.65 -0.16 0.00 -0.52 0.00 0.00 52.55 51.33 3pep s ASP 314 Cb -0.19 -2.35 -0.08 0.00 -1.46 0.00 0.00 42.92 38.84 3pep s ASP 314 CO -0.08 -1.00 1.44 0.03 0.52 0.00 0.00 175.17 176.08 3pep h ARG 315 N 9.10 0.61 -0.46 4.34 2.47 -1.05 -1.78 114.38 127.61 3pep h ARG 315 Ca -0.27 -0.28 0.13 0.00 -1.26 0.00 0.00 59.98 58.30 3pep h ARG 315 Cb 1.09 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 3pep h ARG 315 CO 1.00 0.87 0.33 0.00 0.56 0.00 0.00 179.97 182.73 3pep h ALA 316 N 0.73 2.39 0.00 0.04 0.00 -1.78 -2.62 119.26 118.02 3pep h ALA 316 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3pep h ALA 316 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3pep h ALA 316 CO 0.05 -0.52 -0.01 -1.71 0.00 0.00 0.00 179.25 177.07 3pep n ASN 317 N -4.41 1.90 -4.37 0.00 4.05 -1.23 -5.03 115.26 106.18 3pep n ASN 317 Ca 0.08 -2.11 -0.35 0.00 0.45 0.00 0.00 54.58 52.65 3pep n ASN 317 Cb 0.51 -0.07 -0.09 0.00 1.23 0.00 0.00 39.78 41.36 3pep n ASN 317 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3pep n ASN 318 N -0.61 -0.07 -4.21 1.20 4.13 -0.71 -4.94 115.26 110.05 3pep n ASN 318 Ca 0.03 -1.25 -0.12 0.00 1.68 0.00 0.00 54.58 54.92 3pep n ASN 318 Cb 0.33 -1.57 -0.10 0.00 -1.54 0.00 0.00 39.78 36.91 3pep n ASN 318 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3pep s LYS 319 N -7.26 1.04 -0.09 3.52 1.02 -0.98 -2.68 119.74 114.31 3pep s LYS 319 Ca 0.31 -1.49 0.03 0.00 0.02 0.00 0.00 55.97 54.84 3pep s LYS 319 Cb -0.18 -0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.03 3pep s LYS 319 CO 1.00 -0.17 -0.19 0.08 -0.92 0.00 0.00 175.35 175.15 3pep s VAL 320 N -3.78 1.69 0.01 3.17 1.01 -0.27 -0.48 120.40 121.75 3pep s VAL 320 Ca 0.23 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3pep s VAL 320 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3pep s VAL 320 CO 0.03 0.48 -0.07 -0.83 0.00 0.00 0.00 175.10 174.71 3pep s GLY 321 N 0.48 1.75 0.02 4.51 0.00 0.17 -1.13 107.32 113.12 3pep s GLY 321 Ca -0.17 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3pep s GLY 321 CO 0.07 -0.90 -0.07 1.08 0.00 0.00 0.00 173.10 173.27 3pep s LEU 322 N -1.46 2.11 -0.23 0.66 1.43 -1.12 -1.17 118.68 118.91 3pep s LEU 322 Ca 0.17 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 3pep s LEU 322 Cb -0.11 -0.28 0.06 0.00 0.03 0.00 0.00 46.19 45.89 3pep s LEU 322 CO 0.08 -0.03 0.61 0.00 0.23 0.00 0.00 176.35 177.24 3pep s ALA 323 N -0.65 -1.52 0.15 4.21 0.00 -0.71 -1.39 121.76 121.85 3pep s ALA 323 Ca -0.02 1.75 -0.34 0.00 0.00 0.00 0.00 51.96 53.35 3pep s ALA 323 Cb -0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 23.12 21.90 3pep s ALA 323 CO 0.00 -0.29 1.35 -2.30 0.00 0.00 0.00 175.76 174.52 3pep n PRO 324 N 2.83 1.52 -1.48 0.00 -0.02 -1.26 -0.22 135.00 136.37 3pep n PRO 324 Ca -0.14 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 3pep n PRO 324 Cb 0.56 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 32.03 3pep n PRO 324 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3pep s VAL 325 N 0.28 1.91 0.00 -1.45 -7.23 -1.16 -1.10 120.40 111.66 3pep s VAL 325 Ca 0.77 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 3pep s VAL 325 Cb -0.81 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 33.41 3pep s VAL 325 CO 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.26