#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psa s GLY 2 N 0.00 1.84 -0.21 4.50 0.00 -0.16 -4.93 107.32 108.37 1psa s GLY 2 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1psa s GLY 2 CO 0.00 -1.19 -0.14 -0.35 0.00 0.00 0.00 173.10 171.42 1psa s ASP 3 N -2.31 3.72 -0.40 1.64 2.15 -1.17 -0.74 116.67 119.56 1psa s ASP 3 Ca 0.24 -0.80 -0.04 0.00 0.43 0.00 0.00 52.55 52.38 1psa s ASP 3 Cb -0.11 -1.56 0.10 0.00 -0.30 0.00 0.00 42.92 41.05 1psa s ASP 3 CO 0.16 -0.06 0.19 -0.70 -0.17 0.00 0.00 175.17 174.59 1psa s GLU 4 N 1.28 2.12 0.44 4.34 2.56 0.44 -4.33 118.70 125.55 1psa s GLU 4 Ca 0.02 -1.73 -0.25 0.00 0.00 0.00 0.00 54.97 53.01 1psa s GLU 4 Cb -0.15 -3.57 -0.09 0.00 2.00 0.00 0.00 34.13 32.31 1psa s GLU 4 CO -0.09 -1.02 1.27 -2.30 -0.56 0.00 0.00 175.26 172.56 1psa n PRO 5 N 4.64 1.89 -4.46 4.30 -0.02 -1.26 -1.25 135.00 138.83 1psa n PRO 5 Ca -0.04 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 1psa n PRO 5 Cb 0.42 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1psa n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1psa s LEU 6 N -1.86 2.03 -0.16 2.45 1.43 -0.29 -4.35 118.68 117.94 1psa s LEU 6 Ca 0.62 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 1psa s LEU 6 Cb -0.50 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1psa s LEU 6 CO 0.57 0.12 0.59 -1.61 0.23 0.00 0.00 176.35 176.25 1psa s GLU 7 N -0.32 4.28 -0.43 1.70 0.41 0.10 -3.69 118.70 120.75 1psa s GLU 7 Ca 0.04 0.59 -0.15 0.00 -0.41 0.00 0.00 54.97 55.04 1psa s GLU 7 Cb -0.04 -3.52 0.05 0.00 -1.78 0.00 0.00 34.13 28.83 1psa s GLU 7 CO -0.00 -0.07 0.33 1.21 -0.49 0.00 0.00 175.26 176.24 1psa s ASN 8 N 0.98 6.08 -0.35 -0.19 3.84 -1.26 -2.12 114.94 121.93 1psa s ASN 8 Ca 0.29 -1.11 -0.13 0.00 0.21 0.00 0.00 52.86 52.12 1psa s ASN 8 Cb -0.16 -2.15 -0.01 0.00 -0.55 0.00 0.00 41.25 38.38 1psa s ASN 8 CO 0.12 -0.53 0.23 -0.47 -2.79 0.00 0.00 177.10 173.66 1psa s TYR 9 N 1.64 3.22 -1.16 0.43 5.04 -0.57 -4.61 117.35 121.34 1psa s TYR 9 Ca 0.04 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1psa s TYR 9 Cb -0.21 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.62 1psa s TYR 9 CO 0.08 -0.41 0.00 1.28 -1.34 0.00 0.00 175.55 175.16 1psa n LEU 10 N 5.09 -0.89 -1.77 6.97 4.77 -1.26 -0.86 117.00 129.04 1psa n LEU 10 Ca -0.13 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 1psa n LEU 10 Cb 0.49 -1.87 -0.06 0.00 -2.33 0.00 0.00 43.42 39.65 1psa n LEU 10 CO 0.37 -0.49 -0.19 0.47 -1.33 0.00 0.00 177.39 176.22 1psa n ASP 11 N -0.66 -5.06 -0.02 -1.43 8.00 -1.26 -4.82 116.55 111.30 1psa n ASP 11 Ca -0.12 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.71 1psa n ASP 11 Cb 0.43 -4.44 -0.02 0.00 -0.02 0.00 0.00 41.12 37.07 1psa n ASP 11 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1psa n THR 12 N -2.66 0.21 -3.73 -3.53 -1.04 -0.04 -4.90 114.28 98.59 1psa n THR 12 Ca -0.20 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 1psa n THR 12 Cb 0.63 -0.83 -0.15 0.00 -1.82 0.00 0.00 70.33 68.16 1psa n THR 12 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1psa s GLU 13 N -2.07 0.06 -0.15 -2.82 2.02 -1.04 -4.47 118.70 110.22 1psa s GLU 13 Ca -0.03 0.40 -0.01 0.00 0.02 0.00 0.00 54.97 55.35 1psa s GLU 13 Cb 0.01 -0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.00 1psa s GLU 13 CO 0.11 -0.21 -0.11 0.71 0.02 0.00 0.00 175.26 175.79 1psa s TYR 14 N 1.48 2.86 0.03 1.61 1.51 -1.26 -1.52 117.35 122.07 1psa s TYR 14 Ca -0.06 -0.70 -0.03 0.00 -1.01 0.00 0.00 57.07 55.28 1psa s TYR 14 Cb -0.12 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1psa s TYR 14 CO -0.06 -0.28 0.03 -0.59 -1.11 0.00 0.00 175.55 173.54 1psa s PHE 15 N 0.60 0.26 0.35 2.71 -0.12 -0.90 -4.38 117.98 116.51 1psa s PHE 15 Ca -0.06 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1psa s PHE 15 Cb -0.15 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1psa s PHE 15 CO 0.03 -0.29 0.12 0.41 -0.05 0.00 0.00 175.22 175.44 1psa n GLY 16 N 1.07 3.38 3.69 1.99 0.00 -0.84 -0.72 105.19 113.76 1psa n GLY 16 Ca -0.21 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1psa n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psa s THR 17 N -2.84 4.27 0.12 2.61 2.01 -1.26 -0.68 115.64 119.87 1psa s THR 17 Ca 0.17 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 1psa s THR 17 Cb 0.01 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1psa s THR 17 CO 0.12 0.50 0.03 0.27 -0.69 0.00 0.00 174.62 174.84 1psa s ILE 18 N -0.99 0.23 0.03 1.82 -4.36 -0.36 -4.69 121.20 112.87 1psa s ILE 18 Ca 0.16 -1.91 0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1psa s ILE 18 Cb -0.11 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1psa s ILE 18 CO 0.06 -0.57 -0.22 -0.83 0.24 0.00 0.00 174.94 173.63 1psa s GLY 19 N -3.05 1.15 -0.10 6.27 0.00 -0.78 -1.38 107.32 109.43 1psa s GLY 19 Ca 0.21 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1psa s GLY 19 CO -0.00 -0.95 -0.08 -0.42 0.00 0.00 0.00 173.10 171.65 1psa s ILE 20 N -0.71 1.00 0.00 0.90 1.01 -0.18 -0.91 121.20 122.31 1psa s ILE 20 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1psa s ILE 20 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1psa s ILE 20 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1psa n GLY 21 N 4.74 -0.30 2.72 6.18 0.00 -0.42 -1.91 105.19 116.19 1psa n GLY 21 Ca -0.14 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.32 1psa n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psa s THR 22 N -0.96 0.46 0.82 2.61 2.01 -1.26 -2.84 115.64 116.49 1psa s THR 22 Ca 0.00 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 1psa s THR 22 Cb 0.00 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.60 1psa s THR 22 CO 0.00 -0.23 1.10 -2.16 -0.69 0.00 0.00 174.62 172.64 1psa s PRO 23 N 1.88 1.85 -0.05 4.92 0.04 -1.26 -0.58 135.00 141.81 1psa s PRO 23 Ca -0.00 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 1psa s PRO 23 Cb -0.17 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1psa s PRO 23 CO -0.09 -1.93 1.18 0.00 0.04 0.00 0.00 177.00 176.20 1psa s ALA 24 N -2.86 3.48 0.02 8.56 0.00 -1.13 -4.82 121.76 125.02 1psa s ALA 24 Ca 0.63 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 1psa s ALA 24 Cb -0.18 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1psa s ALA 24 CO 0.57 -0.73 0.50 -0.65 0.00 0.00 0.00 175.76 175.45 1psa s GLN 25 N 2.13 4.11 0.02 0.00 -0.21 -0.80 -4.81 119.66 120.09 1psa s GLN 25 Ca 0.55 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1psa s GLN 25 Cb -0.24 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1psa s GLN 25 CO 0.22 0.60 0.10 0.16 -2.12 0.00 0.00 175.29 174.25 1psa s ASP 26 N -0.89 5.76 -0.01 5.90 -4.77 -1.26 -1.01 116.67 120.38 1psa s ASP 26 Ca 0.27 0.14 -0.05 0.00 -3.30 0.00 0.00 52.55 49.60 1psa s ASP 26 Cb -0.18 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.99 1psa s ASP 26 CO 0.16 0.24 0.11 -0.36 0.70 0.00 0.00 175.17 176.02 1psa s PHE 27 N -1.27 0.03 -0.10 2.11 0.40 -0.48 -4.94 117.98 113.73 1psa s PHE 27 Ca 0.25 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1psa s PHE 27 Cb -0.12 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.33 1psa s PHE 27 CO 0.17 -0.22 0.06 0.95 0.70 0.00 0.00 175.22 176.88 1psa s THR 28 N -1.02 4.82 0.09 0.64 -4.23 -1.26 -1.23 115.64 113.45 1psa s THR 28 Ca -0.11 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1psa s THR 28 Cb -0.06 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1psa s THR 28 CO 0.01 0.61 -0.14 0.68 -0.54 0.00 0.00 174.62 175.24 1psa s VAL 29 N -0.94 1.22 0.24 2.29 -7.23 0.14 -1.00 120.40 115.12 1psa s VAL 29 Ca 0.14 -1.51 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 1psa s VAL 29 Cb -0.12 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 1psa s VAL 29 CO 0.03 -0.31 0.87 -0.63 -0.31 0.00 0.00 175.10 174.74 1psa s ILE 30 N -1.69 4.26 -0.67 -0.62 -1.09 -0.07 -1.99 121.20 119.32 1psa s ILE 30 Ca 0.03 1.80 -0.14 0.00 -2.23 0.00 0.00 60.65 60.12 1psa s ILE 30 Cb -0.07 -4.12 0.17 0.00 -1.58 0.00 0.00 42.46 36.85 1psa s ILE 30 CO 0.02 0.37 0.61 -0.36 -1.23 0.00 0.00 174.94 174.35 1psa s PHE 31 N -1.34 3.52 -0.32 3.97 0.40 -1.26 -0.01 117.98 122.93 1psa s PHE 31 Ca 0.42 -1.74 -0.13 0.00 -0.60 0.00 0.00 56.93 54.88 1psa s PHE 31 Cb -0.22 -3.75 -0.03 0.00 0.51 0.00 0.00 43.02 39.53 1psa s PHE 31 CO 0.27 -0.99 0.25 0.34 0.70 0.00 0.00 175.22 175.78 1psa s ASP 32 N 2.69 6.07 0.00 1.36 2.15 0.68 -4.38 116.67 125.24 1psa s ASP 32 Ca 0.11 -0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.13 1psa s ASP 32 Cb -0.20 -2.14 1.45 0.00 -0.30 0.00 0.00 42.92 41.72 1psa s ASP 32 CO -0.03 -0.20 1.97 0.35 -0.17 0.00 0.00 175.17 177.09 1psa n THR 33 N 5.11 0.00 1.37 1.71 -2.24 -1.26 0.58 114.28 119.55 1psa n THR 33 Ca -0.12 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1psa n THR 33 Cb 0.50 -0.06 0.36 0.00 -2.10 0.00 0.00 70.33 69.03 1psa n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1psa n GLY 34 N 1.13 0.01 3.60 3.38 0.00 -1.26 -4.04 105.19 108.02 1psa n GLY 34 Ca 0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1psa n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1psa s SER 35 N -1.47 -0.12 0.00 1.61 1.04 -1.23 -4.96 113.70 108.57 1psa s SER 35 Ca 0.29 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1psa s SER 35 Cb 0.15 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1psa s SER 35 CO 0.23 -1.15 0.50 -1.20 0.98 0.00 0.00 173.24 172.60 1psa n SER 36 N -0.38 0.98 -4.63 7.02 7.64 -1.26 0.21 113.62 123.21 1psa n SER 36 Ca -0.03 -1.08 -0.34 0.00 1.01 0.00 0.00 58.87 58.43 1psa n SER 36 Cb 0.62 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 1psa n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1psa s ASN 37 N -0.08 4.89 -0.14 6.43 -0.87 -1.26 -4.13 114.94 119.77 1psa s ASN 37 Ca 0.00 0.03 -0.07 0.00 -1.57 0.00 0.00 52.86 51.24 1psa s ASN 37 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 41.25 39.91 1psa s ASN 37 CO 0.00 0.35 0.12 -0.22 -2.57 0.00 0.00 177.10 174.79 1psa s LEU 38 N -0.95 4.25 -0.03 0.60 2.96 -1.25 -1.31 118.68 122.93 1psa s LEU 38 Ca 0.14 0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 1psa s LEU 38 Cb -0.11 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.61 1psa s LEU 38 CO 0.03 0.34 0.70 -1.66 -1.32 0.00 0.00 176.35 174.44 1psa s TRP 39 N -0.62 -0.61 0.09 5.38 1.48 -0.95 -0.46 118.94 123.25 1psa s TRP 39 Ca 0.13 0.97 -0.00 0.00 -1.06 0.00 0.00 56.10 56.13 1psa s TRP 39 Cb -0.12 0.43 -0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1psa s TRP 39 CO 0.02 -0.61 -0.01 0.14 -4.06 0.00 0.00 176.95 172.42 1psa s VAL 40 N -1.54 0.34 0.60 -0.66 -7.23 -0.52 -2.67 120.40 108.71 1psa s VAL 40 Ca -0.08 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 1psa s VAL 40 Cb -0.00 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1psa s VAL 40 CO 0.06 -0.79 0.85 -2.65 -0.31 0.00 0.00 175.10 172.26 1psa n PRO 41 N -0.01 0.79 -4.37 4.82 -0.02 -1.26 -1.87 135.00 133.09 1psa n PRO 41 Ca -0.11 0.31 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 1psa n PRO 41 Cb 0.62 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1psa n PRO 41 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1psa s SER 42 N -1.24 2.17 0.00 2.55 1.04 -1.23 -0.58 113.70 116.42 1psa s SER 42 Ca 0.74 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1psa s SER 42 Cb -0.42 -0.06 0.30 0.00 0.10 0.00 0.00 66.02 65.94 1psa s SER 42 CO 0.49 -0.45 1.08 1.33 0.98 0.00 0.00 173.24 176.67 1psa n VAL 43 N -0.48 1.07 1.19 5.02 0.24 -0.79 -1.26 118.33 123.33 1psa n VAL 43 Ca -0.05 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 1psa n VAL 43 Cb 0.64 -1.17 0.26 0.00 -1.47 0.00 0.00 33.84 32.10 1psa n VAL 43 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1psa n TYR 44 N -1.34 0.00 -3.00 6.34 4.01 -1.26 -4.92 117.16 116.98 1psa n TYR 44 Ca 0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 1psa n TYR 44 Cb 0.05 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1psa n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1psa h SER 46 N 7.08 0.00 -3.93 0.00 4.64 -1.88 -3.45 113.55 116.01 1psa h SER 46 Ca -0.35 -0.15 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 1psa h SER 46 Cb 1.17 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.34 1psa h SER 46 CO 0.78 0.07 0.64 -0.44 -0.87 0.00 0.00 176.83 177.02 1psa s SER 47 N -4.64 6.41 0.40 4.97 0.01 -1.26 -4.88 113.70 114.71 1psa s SER 47 Ca 0.04 2.72 0.20 0.00 1.31 0.00 0.00 55.95 60.22 1psa s SER 47 Cb 0.12 -2.65 1.14 0.00 0.21 0.00 0.00 66.02 64.84 1psa s SER 47 CO 0.75 -0.79 1.75 0.25 0.41 0.00 0.00 173.24 175.61 1psa h LEU 48 N 2.88 0.42 -2.05 2.44 5.85 -1.92 0.21 115.31 123.15 1psa h LEU 48 Ca -0.50 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1psa h LEU 48 Cb 1.24 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1psa h LEU 48 CO 0.63 0.05 -0.07 0.00 -0.34 0.00 0.00 178.44 178.71 1psa h ALA 49 N 1.62 1.17 0.00 1.25 0.00 -1.84 -2.21 119.26 119.26 1psa h ALA 49 Ca 0.62 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 1psa h ALA 49 Cb 1.63 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1psa h ALA 49 CO -0.32 0.09 -0.90 0.00 0.00 0.00 0.00 179.25 178.12 1psa h SER 51 N 0.00 0.33 -0.33 0.00 4.64 -1.41 -2.24 113.55 114.53 1psa h SER 51 Ca -0.03 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 1psa h SER 51 Cb 1.66 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.56 1psa h SER 51 CO 0.11 0.35 0.23 -0.90 -0.87 0.00 0.00 176.83 175.75 1psa n ASP 52 N -4.83 3.68 -3.83 4.97 5.75 -1.25 -4.89 116.55 116.16 1psa n ASP 52 Ca -0.03 -2.59 -0.12 0.00 -0.01 0.00 0.00 54.79 52.04 1psa n ASP 52 Cb 0.09 -0.68 -0.11 0.00 -1.03 0.00 0.00 41.12 39.39 1psa n ASP 52 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1psa s HIS 53 N -1.13 -0.11 0.15 2.11 3.76 -0.84 -5.09 115.29 114.13 1psa s HIS 53 Ca 0.19 0.22 -0.34 0.00 -0.15 0.00 0.00 55.06 54.99 1psa s HIS 53 Cb 0.16 0.03 -0.14 0.00 1.11 0.00 0.00 32.58 33.74 1psa s HIS 53 CO 0.03 -0.22 1.54 0.09 -0.85 0.00 0.00 174.74 175.33 1psa n ASN 54 N 2.11 2.87 -4.34 1.40 4.13 -1.26 -4.91 115.26 115.25 1psa n ASN 54 Ca -0.18 1.09 -0.31 0.00 1.68 0.00 0.00 54.58 56.85 1psa n ASN 54 Cb 0.57 -1.39 -0.15 0.00 -1.54 0.00 0.00 39.78 37.27 1psa n ASN 54 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1psa s GLN 55 N 0.85 2.18 -0.19 3.52 -0.21 -1.26 -4.18 119.66 120.37 1psa s GLN 55 Ca 0.80 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 55.04 1psa s GLN 55 Cb -0.72 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.17 1psa s GLN 55 CO 0.39 0.57 0.81 0.12 -2.12 0.00 0.00 175.29 175.06 1psa s PHE 56 N -0.64 3.38 -0.41 0.91 5.36 0.26 -4.72 117.98 122.12 1psa s PHE 56 Ca 0.10 1.18 -0.10 0.00 -0.96 0.00 0.00 56.93 57.15 1psa s PHE 56 Cb -0.10 -3.00 0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1psa s PHE 56 CO -0.01 -0.28 0.25 1.21 -1.46 0.00 0.00 175.22 174.94 1psa s ASN 57 N 1.22 5.69 0.24 6.13 3.84 -1.26 -1.88 114.94 128.91 1psa s ASN 57 Ca 0.36 -1.37 -0.05 0.00 0.21 0.00 0.00 52.86 52.01 1psa s ASN 57 Cb -0.16 -2.01 0.26 0.00 -0.55 0.00 0.00 41.25 38.79 1psa s ASN 57 CO 0.11 -0.51 1.79 1.55 -2.79 0.00 0.00 177.10 177.25 1psa h PRO 58 N 8.43 1.03 0.00 0.43 0.13 -1.96 -3.00 132.00 137.07 1psa h PRO 58 Ca -0.24 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1psa h PRO 58 Cb 1.09 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1psa h PRO 58 CO 0.74 0.88 0.00 -0.25 -0.23 0.00 0.00 178.00 179.14 1psa n ASP 59 N -4.27 0.00 -0.83 1.44 8.00 -1.26 -0.99 116.55 118.64 1psa n ASP 59 Ca 0.05 0.17 0.10 0.00 0.71 0.00 0.00 54.79 55.82 1psa n ASP 59 Cb 0.22 -0.25 0.11 0.00 -0.02 0.00 0.00 41.12 41.18 1psa n ASP 59 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1psa n ASP 60 N -1.25 2.77 -4.36 -2.24 8.00 -1.13 -4.93 116.55 113.41 1psa n ASP 60 Ca 0.02 -1.84 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 1psa n ASP 60 Cb 0.04 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 40.95 1psa n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1psa s SER 61 N -1.53 5.02 0.57 -2.24 0.15 -0.17 -4.07 113.70 111.44 1psa s SER 61 Ca 0.25 -0.58 0.35 0.00 0.70 0.00 0.00 55.95 56.67 1psa s SER 61 Cb 0.17 -1.87 1.71 0.00 -1.71 0.00 0.00 66.02 64.32 1psa s SER 61 CO 0.25 -0.14 2.13 0.77 1.20 0.00 0.00 173.24 177.44 1psa h SER 62 N 8.22 0.00 -0.33 5.45 4.64 -1.14 -2.98 113.55 127.41 1psa h SER 62 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1psa h SER 62 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1psa h SER 62 CO 0.60 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.95 1psa n THR 63 N -3.27 0.42 -2.62 2.95 -2.24 -1.26 -5.02 114.28 103.23 1psa n THR 63 Ca -0.01 -0.65 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 1psa n THR 63 Cb 0.22 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 1psa n THR 63 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1psa s PHE 64 N -1.58 3.72 -0.09 4.78 5.36 -1.13 -4.66 117.98 124.38 1psa s PHE 64 Ca 0.37 1.79 0.04 0.00 -0.96 0.00 0.00 56.93 58.17 1psa s PHE 64 Cb 0.21 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1psa s PHE 64 CO 0.30 -0.08 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.57 1psa s GLU 65 N -1.53 2.64 0.36 10.12 2.02 -0.57 -4.96 118.70 126.78 1psa s GLU 65 Ca 0.45 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 1psa s GLU 65 Cb -0.27 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 1psa s GLU 65 CO 0.34 0.16 0.61 0.00 0.02 0.00 0.00 175.26 176.39 1psa s ALA 66 N 0.37 3.60 0.24 5.21 0.00 -1.26 0.26 121.76 130.19 1psa s ALA 66 Ca -0.16 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1psa s ALA 66 Cb -0.17 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1psa s ALA 66 CO 0.07 -0.02 0.14 0.95 0.00 0.00 0.00 175.76 176.90 1psa s THR 67 N -2.35 0.17 -2.03 0.00 -4.23 -1.08 -4.87 115.64 101.25 1psa s THR 67 Ca 0.43 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.13 1psa s THR 67 Cb -0.10 -2.53 0.52 0.00 1.34 0.00 0.00 72.50 71.73 1psa s THR 67 CO 0.36 0.00 1.44 -1.20 -0.54 0.00 0.00 174.62 174.68 1psa n SER 68 N -0.52 3.17 -4.58 3.99 7.64 -1.26 -4.68 113.62 117.38 1psa n SER 68 Ca 0.02 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 1psa n SER 68 Cb 0.66 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1psa n SER 68 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1psa s GLN 69 N -1.23 3.33 0.93 1.43 -0.21 -1.26 -4.91 119.66 117.75 1psa s GLN 69 Ca 0.40 0.67 -0.11 0.00 0.02 0.00 0.00 55.36 56.33 1psa s GLN 69 Cb 0.21 -4.12 0.15 0.00 1.00 0.00 0.00 33.01 30.25 1psa s GLN 69 CO 0.27 -1.88 1.10 -2.00 -2.12 0.00 0.00 175.29 170.67 1psa s GLU 70 N 5.46 0.92 -0.05 2.91 -6.30 -1.26 -0.91 118.70 119.47 1psa s GLU 70 Ca 0.58 1.22 -0.12 0.00 -2.50 0.00 0.00 54.97 54.15 1psa s GLU 70 Cb -0.12 -1.74 0.02 0.00 0.00 0.00 0.00 34.13 32.29 1psa s GLU 70 CO 0.27 -2.59 0.28 -1.17 0.02 0.00 0.00 175.26 172.07 1psa s LEU 71 N -6.53 0.97 -0.06 2.70 2.96 -0.27 -4.77 118.68 113.67 1psa s LEU 71 Ca 0.65 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 1psa s LEU 71 Cb -0.21 1.08 0.03 0.00 0.50 0.00 0.00 46.19 47.59 1psa s LEU 71 CO 0.59 -0.31 0.15 -0.55 -1.32 0.00 0.00 176.35 174.91 1psa s SER 72 N -0.80 -0.14 -0.13 3.68 0.15 -1.26 -1.11 113.70 114.09 1psa s SER 72 Ca -0.09 0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.79 1psa s SER 72 Cb -0.04 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1psa s SER 72 CO 0.02 -0.10 0.32 -0.63 1.20 0.00 0.00 173.24 174.05 1psa s ILE 73 N 0.62 -0.02 -0.08 6.45 1.01 -0.97 -4.85 121.20 123.37 1psa s ILE 73 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1psa s ILE 73 Cb -0.06 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 1psa s ILE 73 CO -0.03 0.03 -0.22 -0.89 0.00 0.00 0.00 174.94 173.83 1psa s THR 74 N 0.92 2.32 0.48 2.92 2.01 -1.26 -2.40 115.64 120.61 1psa s THR 74 Ca -0.06 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.05 1psa s THR 74 Cb -0.07 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1psa s THR 74 CO -0.07 0.56 0.34 -0.31 -0.69 0.00 0.00 174.62 174.46 1psa s TYR 75 N -0.02 2.18 0.18 4.92 2.02 0.20 -4.99 117.35 121.84 1psa s TYR 75 Ca -0.07 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 55.84 1psa s TYR 75 Cb -0.15 -2.00 0.10 0.00 -0.40 0.00 0.00 41.96 39.51 1psa s TYR 75 CO 0.05 -0.21 1.78 0.78 -1.57 0.00 0.00 175.55 176.38 1psa h GLY 76 N 0.99 0.98 -7.65 0.71 0.00 -2.00 -3.35 103.07 92.75 1psa h GLY 76 Ca -0.40 -0.47 -0.69 0.00 0.00 0.00 0.00 47.33 45.78 1psa h GLY 76 CO 0.60 0.44 -0.63 -0.51 0.00 0.00 0.00 176.54 176.45 1psa s THR 77 N -5.77 3.27 0.00 4.70 -4.23 -1.26 -5.04 115.64 107.32 1psa s THR 77 Ca -0.13 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1psa s THR 77 Cb 0.13 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1psa s THR 77 CO 0.79 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 1psa n GLY 78 N 4.66 2.26 3.35 3.99 0.00 -1.26 -4.97 105.19 113.22 1psa n GLY 78 Ca -0.09 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1psa n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1psa s SER 79 N 0.00 0.58 -0.08 1.61 1.04 -1.26 -0.63 113.70 114.96 1psa s SER 79 Ca 0.00 -1.40 -0.24 0.00 0.48 0.00 0.00 55.95 54.79 1psa s SER 79 Cb 0.00 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.69 1psa s SER 79 CO 0.00 -1.04 0.56 0.00 0.98 0.00 0.00 173.24 173.74 1psa s MET 80 N -3.76 0.87 0.17 4.02 0.23 -1.01 -3.94 119.30 115.87 1psa s MET 80 Ca 0.35 0.26 0.11 0.00 -1.03 0.00 0.00 55.69 55.37 1psa s MET 80 Cb 0.03 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1psa s MET 80 CO 0.16 -0.23 -0.21 0.95 -2.03 0.00 0.00 175.02 173.66 1psa s THR 81 N -0.88 2.55 0.00 3.16 -4.23 -0.39 -2.28 115.64 113.56 1psa s THR 81 Ca -0.09 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1psa s THR 81 Cb -0.02 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1psa s THR 81 CO 0.06 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1psa n GLY 82 N 0.40 1.93 2.99 3.99 0.00 -0.26 -0.41 105.19 113.82 1psa n GLY 82 Ca -0.13 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1psa n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1psa s ILE 83 N -2.61 0.11 -0.17 -0.61 2.07 0.05 -1.12 121.20 118.93 1psa s ILE 83 Ca 0.00 -0.94 -0.08 0.00 -1.41 0.00 0.00 60.65 58.22 1psa s ILE 83 Cb 0.00 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1psa s ILE 83 CO 0.00 -0.52 0.11 -0.76 -1.91 0.00 0.00 174.94 171.86 1psa s LEU 84 N -1.53 4.13 0.00 8.50 1.43 -0.09 -1.16 118.68 129.96 1psa s LEU 84 Ca -0.15 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1psa s LEU 84 Cb -0.09 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1psa s LEU 84 CO -0.01 0.24 0.03 0.61 0.23 0.00 0.00 176.35 177.45 1psa n GLY 85 N 3.08 3.89 3.04 -3.19 0.00 -0.81 -2.65 105.19 108.56 1psa n GLY 85 Ca -0.17 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 1psa n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1psa s TYR 86 N -1.88 0.88 0.09 1.61 2.02 0.14 -2.06 117.35 118.14 1psa s TYR 86 Ca 0.05 -0.20 -0.25 0.00 -0.37 0.00 0.00 57.07 56.29 1psa s TYR 86 Cb 0.00 -0.56 0.09 0.00 -0.40 0.00 0.00 41.96 41.09 1psa s TYR 86 CO 0.03 -0.01 1.15 0.34 -1.57 0.00 0.00 175.55 175.49 1psa s ASP 87 N -0.41 -0.01 0.26 2.29 -1.08 -0.60 -1.51 116.67 115.61 1psa s ASP 87 Ca 0.03 -0.43 -0.29 0.00 -0.52 0.00 0.00 52.55 51.33 1psa s ASP 87 Cb -0.04 0.34 -0.09 0.00 -1.46 0.00 0.00 42.92 41.66 1psa s ASP 87 CO -0.00 -0.67 0.95 -0.89 0.52 0.00 0.00 175.17 175.08 1psa s THR 88 N -2.22 4.07 -0.11 1.71 2.01 -1.26 -0.48 115.64 119.36 1psa s THR 88 Ca 0.23 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.24 1psa s THR 88 Cb -0.01 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1psa s THR 88 CO 0.02 0.41 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.53 1psa s VAL 89 N -1.28 1.48 -0.33 3.82 1.01 -0.06 -1.30 120.40 123.73 1psa s VAL 89 Ca 0.43 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1psa s VAL 89 Cb -0.25 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1psa s VAL 89 CO 0.31 0.44 0.45 -1.10 0.00 0.00 0.00 175.10 175.19 1psa s GLN 90 N 1.09 3.71 -0.03 2.72 1.11 -0.09 -0.40 119.66 127.77 1psa s GLN 90 Ca -0.04 -0.16 -0.01 0.00 0.01 0.00 0.00 55.36 55.16 1psa s GLN 90 Cb -0.14 -3.77 0.03 0.00 -1.01 0.00 0.00 33.01 28.12 1psa s GLN 90 CO -0.03 -0.52 0.05 0.54 0.01 0.00 0.00 175.29 175.34 1psa s VAL 91 N 2.22 -0.08 -1.35 1.09 0.11 -1.00 -1.86 120.40 119.52 1psa s VAL 91 Ca 0.16 0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1psa s VAL 91 Cb -0.16 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1psa s VAL 91 CO 0.12 0.12 1.10 0.61 -3.33 0.00 0.00 175.10 173.72 1psa n GLY 92 N 4.56 -0.49 2.44 6.54 0.00 -1.26 -0.82 105.19 116.15 1psa n GLY 92 Ca -0.20 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1psa n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psa n GLY 93 N -1.77 -0.02 3.34 -0.02 0.00 -1.26 -3.03 105.19 102.41 1psa n GLY 93 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1psa n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1psa s ILE 94 N -2.97 2.12 -0.96 -0.61 1.01 -0.00 -5.02 121.20 114.77 1psa s ILE 94 Ca 0.00 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 1psa s ILE 94 Cb 0.00 -1.80 0.21 0.00 0.01 0.00 0.00 42.46 40.87 1psa s ILE 94 CO 0.00 0.40 1.01 -0.44 0.00 0.00 0.00 174.94 175.91 1psa s SER 95 N -1.13 6.89 -0.60 3.58 0.01 -1.26 -2.38 113.70 118.81 1psa s SER 95 Ca 0.11 -2.77 -0.27 0.00 1.31 0.00 0.00 55.95 54.33 1psa s SER 95 Cb -0.10 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1psa s SER 95 CO 0.02 -0.65 1.86 -0.62 0.41 0.00 0.00 173.24 174.26 1psa s ASP 96 N 2.40 5.28 0.49 2.44 2.15 0.46 -4.88 116.67 125.02 1psa s ASP 96 Ca 0.27 0.39 -0.09 0.00 0.43 0.00 0.00 52.55 53.54 1psa s ASP 96 Cb -0.08 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 1psa s ASP 96 CO -0.08 -2.36 0.85 0.42 -0.17 0.00 0.00 175.17 173.83 1psa s THR 97 N 9.03 4.79 -1.55 1.71 -4.23 -1.26 -0.89 115.64 123.25 1psa s THR 97 Ca 0.68 0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 61.68 1psa s THR 97 Cb -0.13 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 69.98 1psa s THR 97 CO 0.21 -0.78 0.63 0.59 -0.54 0.00 0.00 174.62 174.74 1psa n ASN 98 N -1.96 -2.06 -4.69 3.99 4.13 -1.15 -4.89 115.26 108.63 1psa n ASN 98 Ca 0.03 -0.98 -0.40 0.00 1.68 0.00 0.00 54.58 54.90 1psa n ASN 98 Cb 0.54 -3.02 -0.05 0.00 -1.54 0.00 0.00 39.78 35.71 1psa n ASN 98 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1psa s GLN 99 N -6.72 4.36 0.03 3.52 2.00 0.37 -4.76 119.66 118.44 1psa s GLN 99 Ca 0.39 0.85 -0.28 0.00 -2.00 0.00 0.00 55.36 54.32 1psa s GLN 99 Cb -0.21 -3.50 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 1psa s GLN 99 CO 0.90 -0.09 0.88 -1.50 -0.50 0.00 0.00 175.29 174.98 1psa s ILE 100 N 1.35 4.78 0.07 -2.34 2.07 -1.26 -1.56 121.20 124.30 1psa s ILE 100 Ca 0.36 1.86 -0.09 0.00 -1.41 0.00 0.00 60.65 61.37 1psa s ILE 100 Cb -0.17 -4.23 0.00 0.00 0.13 0.00 0.00 42.46 38.19 1psa s ILE 100 CO 0.15 0.26 0.20 0.72 -1.91 0.00 0.00 174.94 174.36 1psa s PHE 101 N 0.49 0.09 -0.06 3.50 -0.71 -0.88 -4.74 117.98 115.69 1psa s PHE 101 Ca 0.45 -0.42 -0.17 0.00 -1.04 0.00 0.00 56.93 55.75 1psa s PHE 101 Cb -0.21 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1psa s PHE 101 CO 0.26 -0.49 0.47 0.20 -1.34 0.00 0.00 175.22 174.32 1psa s GLY 102 N -2.49 2.46 -0.19 1.99 0.00 0.39 -1.92 107.32 107.56 1psa s GLY 102 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 1psa s GLY 102 CO -0.08 0.56 -0.03 1.08 0.00 0.00 0.00 173.10 174.63 1psa s LEU 103 N -0.09 3.07 0.36 0.66 1.02 -0.31 -1.44 118.68 121.96 1psa s LEU 103 Ca 0.26 -0.27 -0.15 0.00 0.02 0.00 0.00 54.13 53.98 1psa s LEU 103 Cb -0.16 -1.77 -0.09 0.00 0.02 0.00 0.00 46.19 44.19 1psa s LEU 103 CO 0.12 0.06 0.79 -0.94 0.02 0.00 0.00 176.35 176.40 1psa s SER 104 N 1.01 6.76 -0.05 2.29 1.04 -0.78 -0.77 113.70 123.20 1psa s SER 104 Ca 0.01 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1psa s SER 104 Cb -0.15 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1psa s SER 104 CO 0.01 -0.28 -0.04 -0.62 0.98 0.00 0.00 173.24 173.29 1psa n GLU 105 N -0.60 0.15 -4.03 4.02 -0.58 0.45 -3.48 120.64 116.57 1psa n GLU 105 Ca 0.04 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 1psa n GLU 105 Cb 0.53 -1.10 -0.13 0.00 -0.57 0.00 0.00 31.44 30.18 1psa n GLU 105 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1psa s THR 106 N -2.10 0.29 -0.54 2.62 -4.23 -0.74 -3.08 115.64 107.86 1psa s THR 106 Ca -0.06 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1psa s THR 106 Cb 0.02 -0.34 0.17 0.00 1.34 0.00 0.00 72.50 73.69 1psa s THR 106 CO 0.11 -0.22 0.41 -1.61 -0.54 0.00 0.00 174.62 172.77 1psa s GLU 107 N -0.88 1.60 0.36 3.99 2.02 -1.26 -1.26 118.70 123.26 1psa s GLU 107 Ca -0.07 -2.65 -0.28 0.00 0.02 0.00 0.00 54.97 51.99 1psa s GLU 107 Cb -0.06 -2.32 -0.12 0.00 0.10 0.00 0.00 34.13 31.73 1psa s GLU 107 CO -0.00 -1.34 1.39 -2.30 0.02 0.00 0.00 175.26 173.03 1psa n PRO 108 N 2.48 2.40 0.00 0.39 -0.02 -1.25 -4.57 135.00 134.43 1psa n PRO 108 Ca 0.25 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1psa n PRO 108 Cb 0.42 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1psa n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1psa n GLY 109 N 0.67 2.38 0.11 -1.23 0.00 -1.26 -4.26 105.19 101.61 1psa n GLY 109 Ca 0.03 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1psa n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1psa n SER 110 N 0.00 1.27 0.00 1.61 3.41 -1.26 -4.58 113.62 114.07 1psa n SER 110 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1psa n SER 110 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1psa n SER 110 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1psa n PHE 111 N -3.14 0.00 0.30 7.33 7.35 -1.26 -1.31 117.46 126.73 1psa n PHE 111 Ca -0.32 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.54 1psa n PHE 111 Cb 1.06 -0.19 0.93 0.00 0.35 0.00 0.00 39.48 41.64 1psa n PHE 111 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1psa h LEU 112 N 0.00 0.00 -1.83 -2.13 3.38 -1.92 -1.63 115.31 111.18 1psa h LEU 112 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1psa h LEU 112 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1psa h LEU 112 CO 0.00 0.04 0.17 0.22 0.09 0.00 0.00 178.44 178.96 1psa h TYR 113 N 0.00 0.21 0.00 1.13 3.20 -1.45 -1.55 116.97 118.52 1psa h TYR 113 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1psa h TYR 113 Cb 0.18 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1psa h TYR 113 CO 0.00 0.12 -0.66 1.88 -1.64 0.00 0.00 178.16 177.86 1psa h TYR 114 N 0.22 0.00 -3.84 -3.82 0.05 -1.32 -3.47 116.97 104.79 1psa h TYR 114 Ca 0.10 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.38 1psa h TYR 114 Cb 0.15 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.91 1psa h TYR 114 CO -0.00 0.00 0.49 0.00 -1.05 0.00 0.00 178.16 177.60 1psa s ALA 115 N -3.25 3.37 -0.07 3.88 0.00 -0.58 -4.96 121.76 120.14 1psa s ALA 115 Ca 0.04 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.94 1psa s ALA 115 Cb 0.11 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.98 1psa s ALA 115 CO 0.74 -0.25 1.14 -0.35 0.00 0.00 0.00 175.76 177.03 1psa n PRO 116 N 0.94 1.19 -3.90 0.00 -0.04 -1.26 -4.83 135.00 127.11 1psa n PRO 116 Ca -0.00 -0.46 -0.09 0.00 -0.04 0.00 0.00 63.50 62.91 1psa n PRO 116 Cb 0.45 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1psa n PRO 116 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1psa s PHE 117 N -0.51 0.23 -0.25 0.54 -0.12 -1.26 -4.96 117.98 111.66 1psa s PHE 117 Ca 0.09 -0.66 -0.09 0.00 -0.05 0.00 0.00 56.93 56.21 1psa s PHE 117 Cb 0.07 -0.10 -0.16 0.00 -0.63 0.00 0.00 43.02 42.20 1psa s PHE 117 CO 0.02 -0.55 -0.16 -0.25 -0.05 0.00 0.00 175.22 174.23 1psa n ASP 118 N -0.06 1.97 -0.98 1.98 8.00 -0.17 -5.02 116.55 122.27 1psa n ASP 118 Ca -0.14 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1psa n ASP 118 Cb 0.62 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1psa n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1psa n GLY 119 N 1.66 3.55 3.00 0.44 0.00 -1.05 -4.07 105.19 108.72 1psa n GLY 119 Ca -0.47 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 1psa n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1psa s ILE 120 N -2.23 0.95 -0.38 -0.61 1.01 -1.09 -0.89 121.20 117.96 1psa s ILE 120 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1psa s ILE 120 Cb 0.00 -0.87 0.10 0.00 0.01 0.00 0.00 42.46 41.70 1psa s ILE 120 CO 0.00 0.31 0.14 -0.22 0.00 0.00 0.00 174.94 175.17 1psa s LEU 121 N 0.55 4.93 0.49 2.97 0.20 0.98 -2.25 118.68 126.55 1psa s LEU 121 Ca -0.10 -1.91 -0.22 0.00 0.69 0.00 0.00 54.13 52.59 1psa s LEU 121 Cb -0.13 -1.78 -0.07 0.00 -0.43 0.00 0.00 46.19 43.78 1psa s LEU 121 CO 0.02 -0.47 1.19 -0.83 -0.29 0.00 0.00 176.35 175.98 1psa s GLY 122 N 1.57 2.77 -0.02 7.98 0.00 -0.43 -0.23 107.32 118.97 1psa s GLY 122 Ca 0.06 0.98 0.10 0.00 0.00 0.00 0.00 44.72 45.86 1psa s GLY 122 CO -0.04 1.43 1.07 1.04 0.00 0.00 0.00 173.10 176.60 1psa n LEU 123 N -0.73 0.57 0.00 0.66 4.77 0.20 -4.59 117.00 117.88 1psa n LEU 123 Ca 0.09 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1psa n LEU 123 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1psa n LEU 123 CO 0.47 0.40 0.00 0.00 -1.33 0.00 0.00 177.39 176.94 1psa n ALA 124 N 0.00 0.00 -1.82 -1.18 0.00 -0.29 -4.76 120.51 112.46 1psa n ALA 124 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1psa n ALA 124 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 1psa n ALA 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1psa s TYR 125 N 0.80 3.30 0.60 0.00 1.51 -0.14 -4.71 117.35 118.72 1psa s TYR 125 Ca 0.00 1.60 0.28 0.00 -1.01 0.00 0.00 57.07 57.94 1psa s TYR 125 Cb 0.00 -2.86 1.37 0.00 -0.11 0.00 0.00 41.96 40.37 1psa s TYR 125 CO 0.00 -0.15 1.78 -1.00 -1.11 0.00 0.00 175.55 175.06 1psa h PRO 126 N 1.84 0.00 -0.29 -1.71 0.13 -1.94 -1.92 132.00 128.12 1psa h PRO 126 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1psa h PRO 126 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1psa h PRO 126 CO 0.61 0.00 0.06 0.66 -0.23 0.00 0.00 178.00 179.10 1psa h SER 127 N 0.00 0.38 -0.46 1.44 4.64 -1.90 -0.71 113.55 116.94 1psa h SER 127 Ca 0.25 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1psa h SER 127 Cb 1.47 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1psa h SER 127 CO -0.00 0.40 0.00 2.30 -0.87 0.00 0.00 176.83 178.65 1psa n ILE 128 N -4.37 1.55 -2.70 0.95 -5.35 -0.72 -4.89 119.36 103.83 1psa n ILE 128 Ca 0.01 -0.91 -0.43 0.00 -0.27 0.00 0.00 62.75 61.15 1psa n ILE 128 Cb 0.18 -0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 1psa n ILE 128 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1psa s SER 129 N -0.72 6.48 0.23 7.28 0.15 -0.27 -4.55 113.70 122.29 1psa s SER 129 Ca 0.38 0.10 -0.32 0.00 0.70 0.00 0.00 55.95 56.82 1psa s SER 129 Cb 0.26 -2.50 -0.14 0.00 -1.71 0.00 0.00 66.02 61.93 1psa s SER 129 CO 0.16 -1.26 1.40 0.00 1.20 0.00 0.00 173.24 174.74 1psa n ALA 130 N 7.77 0.95 -1.40 5.45 0.00 -1.26 -0.73 120.51 131.28 1psa n ALA 130 Ca 0.07 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1psa n ALA 130 Cb 0.49 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 1psa n ALA 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1psa n SER 131 N 2.26 -5.54 -1.39 0.00 7.64 -1.26 -3.35 113.62 111.98 1psa n SER 131 Ca 0.12 0.35 -0.14 0.00 1.01 0.00 0.00 58.87 60.21 1psa n SER 131 Cb 0.30 -4.36 -0.03 0.00 -1.01 0.00 0.00 64.21 59.12 1psa n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1psa n GLY 132 N 0.04 0.41 3.72 0.23 0.00 0.09 -4.96 105.19 104.73 1psa n GLY 132 Ca -0.14 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1psa n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psa s ALA 133 N -2.63 3.24 0.05 4.61 0.00 -1.21 -4.91 121.76 120.91 1psa s ALA 133 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1psa s ALA 133 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 1psa s ALA 133 CO 0.00 -0.21 1.86 0.99 0.00 0.00 0.00 175.76 178.40 1psa s THR 134 N 0.65 2.95 0.46 0.00 2.01 -1.26 -4.86 115.64 115.59 1psa s THR 134 Ca 0.52 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 1psa s THR 134 Cb -0.24 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1psa s THR 134 CO 0.29 -0.01 1.12 -2.65 -0.69 0.00 0.00 174.62 172.69 1psa n PRO 135 N 6.79 1.51 0.03 4.92 -0.02 -1.26 -4.58 135.00 142.39 1psa n PRO 135 Ca 0.19 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 1psa n PRO 135 Cb 0.40 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1psa n PRO 135 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1psa h VAL 136 N 1.55 0.04 -0.74 -1.45 2.07 -1.81 -0.60 116.25 115.32 1psa h VAL 136 Ca -0.47 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1psa h VAL 136 Cb 1.32 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1psa h VAL 136 CO 0.57 0.00 0.44 0.15 0.02 0.00 0.00 177.57 178.75 1psa h PHE 137 N -0.62 0.98 -0.30 1.57 3.57 -1.92 -0.37 116.94 119.85 1psa h PHE 137 Ca 0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1psa h PHE 137 Cb 0.69 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1psa h PHE 137 CO -0.51 0.67 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.64 1psa h ASP 138 N 1.01 -0.50 -0.07 0.41 5.19 -1.91 0.14 116.42 120.69 1psa h ASP 138 Ca 0.26 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.76 1psa h ASP 138 Cb -0.02 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1psa h ASP 138 CO -0.05 -0.18 -0.04 -1.13 -3.12 0.00 0.00 179.24 174.72 1psa h ASN 139 N -0.10 0.25 -0.29 6.45 -1.24 0.46 0.92 115.58 122.04 1psa h ASN 139 Ca 0.16 -0.04 -0.15 0.00 0.71 0.00 0.00 56.30 56.98 1psa h ASN 139 Cb 0.34 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 1psa h ASN 139 CO -0.37 0.34 -0.39 -0.07 -1.29 0.00 0.00 177.43 175.65 1psa h LEU 140 N 0.27 0.84 -0.26 0.34 3.38 0.05 -1.96 115.31 117.97 1psa h LEU 140 Ca 0.06 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1psa h LEU 140 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1psa h LEU 140 CO 0.01 1.18 -0.07 -0.25 0.09 0.00 0.00 178.44 179.40 1psa h TRP 141 N 0.53 0.58 -0.45 1.13 2.91 -0.28 0.15 115.95 120.52 1psa h TRP 141 Ca 0.03 -0.13 0.06 0.00 1.13 0.00 0.00 58.89 59.98 1psa h TRP 141 Cb 0.98 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.47 1psa h TRP 141 CO 0.07 0.73 0.30 -0.44 -1.03 0.00 0.00 178.44 178.08 1psa h ASP 142 N 0.26 0.32 0.24 2.65 3.32 -0.84 -1.07 116.42 121.30 1psa h ASP 142 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1psa h ASP 142 Cb 0.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1psa h ASP 142 CO 0.03 0.21 -0.14 0.00 -1.72 0.00 0.00 179.24 177.62 1psa n GLN 143 N -4.47 0.91 -1.61 3.56 6.02 -0.74 -4.94 117.38 116.11 1psa n GLN 143 Ca 0.06 -0.43 -0.07 0.00 -0.01 0.00 0.00 57.00 56.55 1psa n GLN 143 Cb 0.25 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 1psa n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1psa n GLY 144 N 1.27 0.55 0.10 1.08 0.00 -0.41 -4.94 105.19 102.85 1psa n GLY 144 Ca 0.15 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1psa n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1psa h LEU 145 N 0.00 0.00 -9.40 0.99 3.38 -1.21 -3.45 115.31 105.62 1psa h LEU 145 Ca -0.15 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.15 1psa h LEU 145 Cb 0.75 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 1psa h LEU 145 CO 0.20 0.66 -0.61 0.68 0.09 0.00 0.00 178.44 179.46 1psa s VAL 146 N -2.87 4.43 0.37 1.22 -7.23 -1.21 -4.56 120.40 110.55 1psa s VAL 146 Ca -0.01 -0.38 0.10 0.00 -1.81 0.00 0.00 61.98 59.88 1psa s VAL 146 Cb 0.08 -2.95 0.12 0.00 0.56 0.00 0.00 36.38 34.19 1psa s VAL 146 CO 0.79 0.47 1.85 0.77 -0.31 0.00 0.00 175.10 178.67 1psa h SER 147 N 4.60 0.16 -4.49 4.85 4.64 -1.87 -3.46 113.55 117.99 1psa h SER 147 Ca -0.50 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 60.53 1psa h SER 147 Cb 1.19 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 1psa h SER 147 CO 0.58 0.42 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.16 1psa s GLN 148 N -4.46 0.87 -0.79 4.77 -0.21 -1.26 -5.05 119.66 113.53 1psa s GLN 148 Ca -0.04 -1.34 -0.04 0.00 0.02 0.00 0.00 55.36 53.95 1psa s GLN 148 Cb 0.15 -0.29 0.14 0.00 1.00 0.00 0.00 33.01 34.01 1psa s GLN 148 CO 0.74 0.00 2.48 -3.47 -2.12 0.00 0.00 175.29 172.92 1psa n ASP 149 N -0.04 7.12 -3.63 5.90 2.03 -1.26 -4.36 116.55 122.31 1psa n ASP 149 Ca -0.12 -3.32 -0.14 0.00 0.52 0.00 0.00 54.79 51.73 1psa n ASP 149 Cb 0.61 -1.24 -0.06 0.00 -0.72 0.00 0.00 41.12 39.71 1psa n ASP 149 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1psa s LEU 150 N -2.64 0.19 0.22 -2.67 0.05 -1.26 -0.52 118.68 112.05 1psa s LEU 150 Ca 0.55 0.14 0.01 0.00 0.05 0.00 0.00 54.13 54.88 1psa s LEU 150 Cb 0.32 1.89 -0.05 0.00 -2.05 0.00 0.00 46.19 46.31 1psa s LEU 150 CO -0.21 -0.65 0.07 0.72 -0.55 0.00 0.00 176.35 175.73 1psa s PHE 151 N -2.18 1.37 0.08 3.48 -0.71 -1.09 -0.11 117.98 118.83 1psa s PHE 151 Ca -0.07 -1.16 -0.07 0.00 -1.04 0.00 0.00 56.93 54.60 1psa s PHE 151 Cb -0.01 -0.78 -0.01 0.00 -1.21 0.00 0.00 43.02 41.00 1psa s PHE 151 CO 0.00 -0.34 0.13 -1.54 -1.34 0.00 0.00 175.22 172.13 1psa s SER 152 N -3.24 0.22 -0.02 1.98 1.04 -0.56 -0.85 113.70 112.27 1psa s SER 152 Ca 0.33 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 56.05 1psa s SER 152 Cb 0.07 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1psa s SER 152 CO 0.10 -0.69 -0.14 -0.69 0.98 0.00 0.00 173.24 172.79 1psa s VAL 153 N -3.88 1.16 -0.12 5.02 1.01 0.41 -1.98 120.40 122.03 1psa s VAL 153 Ca 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1psa s VAL 153 Cb 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1psa s VAL 153 CO -0.11 0.34 -0.17 -0.47 0.00 0.00 0.00 175.10 174.69 1psa s TYR 154 N -0.17 2.18 -0.20 5.22 5.04 -0.49 -2.26 117.35 126.67 1psa s TYR 154 Ca 0.02 -1.07 -0.04 0.00 -2.44 0.00 0.00 57.07 53.55 1psa s TYR 154 Cb -0.07 -1.54 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 1psa s TYR 154 CO 0.00 -0.53 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.12 1psa s LEU 155 N 0.99 2.94 0.79 6.97 1.43 -1.26 -1.54 118.68 129.00 1psa s LEU 155 Ca -0.06 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1psa s LEU 155 Cb -0.15 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1psa s LEU 155 CO -0.03 0.03 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 1psa s SER 156 N 1.21 4.47 0.30 2.29 1.04 -1.26 -4.42 113.70 117.33 1psa s SER 156 Ca 0.03 1.45 0.08 0.00 0.48 0.00 0.00 55.95 57.99 1psa s SER 156 Cb -0.14 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 1psa s SER 156 CO -0.01 -2.00 0.11 -0.44 0.98 0.00 0.00 173.24 171.88 1psa s SER 157 N -3.74 4.81 -1.42 7.02 0.01 -1.26 -4.71 113.70 114.41 1psa s SER 157 Ca 0.61 -0.63 -0.10 0.00 1.31 0.00 0.00 55.95 57.15 1psa s SER 157 Cb -0.15 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.21 1psa s SER 157 CO 0.55 -0.16 1.05 0.59 0.41 0.00 0.00 173.24 175.68 1psa n ASN 158 N -1.09 -5.97 -1.98 2.44 3.02 -1.26 -1.41 115.26 109.02 1psa n ASN 158 Ca -0.05 -0.56 -0.14 0.00 -0.03 0.00 0.00 54.58 53.80 1psa n ASN 158 Cb 0.60 -4.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 1psa n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1psa n ASP 159 N -2.90 -4.09 -4.81 6.41 8.00 -1.26 -4.96 116.55 112.94 1psa n ASP 159 Ca 0.00 0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.44 1psa n ASP 159 Cb 0.56 -3.59 0.08 0.00 -0.02 0.00 0.00 41.12 38.15 1psa n ASP 159 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1psa s ASP 160 N -2.11 4.75 0.65 -2.24 1.01 -0.50 -4.88 116.67 113.36 1psa s ASP 160 Ca 0.00 1.37 -0.11 0.00 0.71 0.00 0.00 52.55 54.52 1psa s ASP 160 Cb 0.00 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1psa s ASP 160 CO 0.00 -1.81 1.04 -0.44 0.21 0.00 0.00 175.17 174.17 1psa s SER 161 N -3.91 5.85 0.00 0.27 0.01 -1.26 -4.55 113.70 110.12 1psa s SER 161 Ca 0.60 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.37 1psa s SER 161 Cb -0.14 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1psa s SER 161 CO 0.54 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1psa n GLY 162 N -2.41 1.31 3.79 3.44 0.00 -1.26 -4.93 105.19 105.12 1psa n GLY 162 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1psa n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1psa s SER 163 N -2.00 6.92 0.01 1.61 0.01 -1.24 -4.76 113.70 114.25 1psa s SER 163 Ca 0.00 1.93 -0.15 0.00 1.31 0.00 0.00 55.95 59.04 1psa s SER 163 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1psa s SER 163 CO 0.00 -0.38 0.32 0.54 0.41 0.00 0.00 173.24 174.13 1psa s VAL 164 N -1.74 0.07 -0.19 3.43 0.11 -0.59 -1.14 120.40 120.35 1psa s VAL 164 Ca 0.57 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1psa s VAL 164 Cb -0.19 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1psa s VAL 164 CO 0.24 -0.30 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.87 1psa s VAL 165 N -1.88 2.44 -0.43 2.04 1.01 -0.38 -1.39 120.40 121.81 1psa s VAL 165 Ca -0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1psa s VAL 165 Cb -0.03 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.36 1psa s VAL 165 CO 0.01 0.48 0.28 -0.76 0.00 0.00 0.00 175.10 175.12 1psa s LEU 166 N 1.34 5.27 -0.22 3.92 1.02 -0.84 -0.42 118.68 128.76 1psa s LEU 166 Ca 0.05 -1.55 -0.20 0.00 0.02 0.00 0.00 54.13 52.45 1psa s LEU 166 Cb -0.14 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 1psa s LEU 166 CO -0.10 -0.57 0.59 -0.76 0.02 0.00 0.00 176.35 175.53 1psa s LEU 167 N 1.44 4.12 0.00 1.79 1.43 0.08 -1.50 118.68 126.04 1psa s LEU 167 Ca 0.03 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1psa s LEU 167 Cb -0.24 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1psa s LEU 167 CO 0.02 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1psa n GLY 168 N 3.96 0.66 0.00 -3.19 0.00 0.85 -0.98 105.19 106.49 1psa n GLY 168 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1psa n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psa n GLY 169 N -1.75 0.94 3.65 -0.02 0.00 -1.18 -3.98 105.19 102.85 1psa n GLY 169 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1psa n GLY 169 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1psa s ILE 170 N -2.00 2.54 -0.19 -0.61 -4.36 -1.26 -4.13 121.20 111.19 1psa s ILE 170 Ca 0.00 -1.91 -0.05 0.00 -0.26 0.00 0.00 60.65 58.43 1psa s ILE 170 Cb 0.00 -2.86 0.07 0.00 1.25 0.00 0.00 42.46 40.92 1psa s ILE 170 CO 0.00 -0.15 0.12 -0.62 0.24 0.00 0.00 174.94 174.53 1psa s ASP 171 N -3.76 2.34 0.28 4.36 2.15 -1.26 -5.01 116.67 115.77 1psa s ASP 171 Ca 0.36 -0.64 0.19 0.00 0.43 0.00 0.00 52.55 52.89 1psa s ASP 171 Cb 0.01 -0.16 1.02 0.00 -0.30 0.00 0.00 42.92 43.50 1psa s ASP 171 CO 0.20 -0.36 1.59 -1.54 -0.17 0.00 0.00 175.17 174.89 1psa n SER 172 N 5.28 0.50 0.15 -0.34 3.41 -1.26 -1.76 113.62 119.60 1psa n SER 172 Ca -0.07 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 1psa n SER 172 Cb 0.48 -0.79 0.55 0.00 -0.26 0.00 0.00 64.21 64.19 1psa n SER 172 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1psa n SER 173 N -2.17 0.58 -0.60 4.04 7.64 -1.26 -2.65 113.62 119.20 1psa n SER 173 Ca -0.01 0.73 0.13 0.00 1.01 0.00 0.00 58.87 60.73 1psa n SER 173 Cb 0.05 -0.82 0.42 0.00 -1.01 0.00 0.00 64.21 62.84 1psa n SER 173 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1psa n TYR 174 N -2.24 0.00 -3.84 1.43 4.01 -0.72 -4.67 117.16 111.13 1psa n TYR 174 Ca -0.00 -0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1psa n TYR 174 Cb 0.09 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 1psa n TYR 174 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1psa s TYR 175 N -2.00 0.09 -0.15 -0.72 1.13 -1.08 0.18 117.35 114.81 1psa s TYR 175 Ca 0.35 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.51 1psa s TYR 175 Cb 0.21 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1psa s TYR 175 CO 0.33 -0.51 0.15 0.99 -2.51 0.00 0.00 175.55 174.00 1psa s THR 176 N -3.31 5.46 0.00 -3.49 2.01 0.16 -4.68 115.64 111.79 1psa s THR 176 Ca 0.01 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1psa s THR 176 Cb 0.02 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1psa s THR 176 CO -0.08 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1psa n GLY 177 N 2.55 2.02 3.30 4.40 0.00 -1.26 -4.08 105.19 112.12 1psa n GLY 177 Ca -0.18 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1psa n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1psa s SER 178 N -4.00 2.19 0.32 1.61 0.01 -1.26 -5.06 113.70 107.51 1psa s SER 178 Ca 0.00 -1.00 -0.27 0.00 1.31 0.00 0.00 55.95 55.98 1psa s SER 178 Cb 0.00 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.06 1psa s SER 178 CO 0.00 -0.24 1.06 -0.76 0.41 0.00 0.00 173.24 173.72 1psa s LEU 179 N -3.20 4.41 -0.14 2.44 1.43 -1.26 -4.62 118.68 117.74 1psa s LEU 179 Ca 0.19 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.38 1psa s LEU 179 Cb 0.00 -3.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1psa s LEU 179 CO 0.04 -0.24 0.06 0.20 0.23 0.00 0.00 176.35 176.64 1psa s ASN 180 N -1.16 5.65 -0.04 2.29 0.02 0.03 -4.90 114.94 116.83 1psa s ASN 180 Ca 0.49 0.17 -0.02 0.00 -1.02 0.00 0.00 52.86 52.48 1psa s ASN 180 Cb -0.28 -1.85 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 1psa s ASN 180 CO 0.35 0.27 0.07 0.26 0.02 0.00 0.00 177.10 178.08 1psa s TRP 181 N -0.22 3.31 -0.10 2.20 0.52 -1.26 -1.04 118.94 122.35 1psa s TRP 181 Ca 0.08 0.26 0.02 0.00 0.02 0.00 0.00 56.10 56.48 1psa s TRP 181 Cb -0.12 -1.79 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1psa s TRP 181 CO 0.01 0.56 -0.17 0.08 0.02 0.00 0.00 176.95 177.45 1psa s VAL 182 N -1.09 1.61 0.43 4.03 1.01 0.07 -4.97 120.40 121.50 1psa s VAL 182 Ca 0.19 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 1psa s VAL 182 Cb -0.12 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1psa s VAL 182 CO 0.09 0.46 1.46 -2.16 0.00 0.00 0.00 175.10 174.95 1psa s PRO 183 N 0.74 3.80 -0.05 2.72 0.04 -1.26 -0.51 135.00 140.48 1psa s PRO 183 Ca -0.11 2.49 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 1psa s PRO 183 Cb -0.16 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1psa s PRO 183 CO 0.02 -0.75 1.29 0.08 0.04 0.00 0.00 177.00 177.68 1psa s VAL 184 N -1.17 4.05 -0.03 -0.36 1.01 -0.88 -4.57 120.40 118.45 1psa s VAL 184 Ca 0.59 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 1psa s VAL 184 Cb -0.45 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 31.90 1psa s VAL 184 CO 0.59 -0.02 0.91 0.77 0.00 0.00 0.00 175.10 177.36 1psa h SER 185 N 7.70 -0.29 -3.25 3.32 4.64 -1.17 -3.44 113.55 121.06 1psa h SER 185 Ca -0.35 -0.23 -0.64 0.00 -0.47 0.00 0.00 61.79 60.10 1psa h SER 185 Cb 1.16 0.08 -0.34 0.00 -0.31 0.00 0.00 62.40 62.99 1psa h SER 185 CO 0.90 0.19 -0.86 -0.69 -0.87 0.00 0.00 176.83 175.50 1psa s VAL 186 N -3.72 1.83 -0.57 0.95 1.01 -1.26 -5.09 120.40 113.55 1psa s VAL 186 Ca -0.12 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1psa s VAL 186 Cb 0.01 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.86 1psa s VAL 186 CO 0.44 0.51 0.66 -1.61 0.00 0.00 0.00 175.10 175.10 1psa s GLU 187 N 0.81 3.05 0.04 2.72 2.02 -1.26 -3.96 118.70 122.11 1psa s GLU 187 Ca -0.09 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.60 1psa s GLU 187 Cb -0.16 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.83 1psa s GLU 187 CO -0.00 -1.46 0.00 0.41 0.02 0.00 0.00 175.26 174.23 1psa n GLY 188 N 5.26 -1.89 3.97 -1.39 0.00 -1.26 -4.86 105.19 105.02 1psa n GLY 188 Ca -0.10 0.51 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 1psa n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1psa s TYR 189 N -1.09 1.57 -1.11 1.61 2.02 -1.26 -0.97 117.35 118.12 1psa s TYR 189 Ca 0.00 -0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 56.53 1psa s TYR 189 Cb 0.00 -3.48 0.16 0.00 -0.40 0.00 0.00 41.96 38.24 1psa s TYR 189 CO 0.00 -2.13 1.31 -1.58 -1.57 0.00 0.00 175.55 171.58 1psa s TRP 190 N -3.47 3.41 -0.19 2.71 0.52 -1.26 -4.82 118.94 115.84 1psa s TRP 190 Ca 0.70 -1.92 -0.18 0.00 0.02 0.00 0.00 56.10 54.72 1psa s TRP 190 Cb -0.05 -4.28 -0.03 0.00 -1.15 0.00 0.00 33.47 27.96 1psa s TRP 190 CO 0.48 -1.40 0.49 -1.14 0.02 0.00 0.00 176.95 175.40 1psa s GLN 191 N 1.80 4.21 0.11 4.98 0.74 -1.25 -1.89 119.66 128.35 1psa s GLN 191 Ca 0.39 0.38 0.05 0.00 0.05 0.00 0.00 55.36 56.23 1psa s GLN 191 Cb -0.04 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 1psa s GLN 191 CO -0.03 -0.09 -0.12 0.96 -0.55 0.00 0.00 175.29 175.46 1psa s ILE 192 N 1.43 1.13 -0.13 -2.34 -5.25 0.78 -0.55 121.20 116.28 1psa s ILE 192 Ca 0.23 -1.66 -0.25 0.00 -0.99 0.00 0.00 60.65 57.99 1psa s ILE 192 Cb -0.15 -1.42 -0.02 0.00 2.95 0.00 0.00 42.46 43.81 1psa s ILE 192 CO 0.09 -0.47 0.79 -0.89 -1.79 0.00 0.00 174.94 172.67 1psa s THR 193 N -2.23 4.94 -0.19 8.37 2.01 -1.26 -1.34 115.64 125.94 1psa s THR 193 Ca 0.07 1.56 -0.23 0.00 0.31 0.00 0.00 61.69 63.41 1psa s THR 193 Cb -0.04 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1psa s THR 193 CO 0.02 0.11 0.71 -0.22 -0.69 0.00 0.00 174.62 174.54 1psa s LEU 194 N 1.68 4.15 -0.02 4.42 0.20 0.91 -4.42 118.68 125.60 1psa s LEU 194 Ca 0.38 0.96 -0.22 0.00 0.69 0.00 0.00 54.13 55.94 1psa s LEU 194 Cb -0.17 -3.03 -0.22 0.00 -0.43 0.00 0.00 46.19 42.34 1psa s LEU 194 CO 0.15 -0.33 1.10 0.44 -0.29 0.00 0.00 176.35 177.42 1psa h ASP 195 N 7.43 0.36 -5.40 3.68 5.19 -1.13 0.17 116.42 126.72 1psa h ASP 195 Ca -0.30 -0.72 0.23 0.00 -0.62 0.00 0.00 57.03 55.62 1psa h ASP 195 Cb 1.14 -0.11 -0.11 0.00 0.18 0.00 0.00 39.33 40.43 1psa h ASP 195 CO 0.80 1.04 0.63 -0.94 -3.12 0.00 0.00 179.24 177.65 1psa s SER 196 N -6.45 -0.14 -0.10 6.45 1.04 -1.23 -1.71 113.70 111.55 1psa s SER 196 Ca -0.15 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1psa s SER 196 Cb 0.03 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1psa s SER 196 CO 0.77 -0.62 -0.05 -0.63 0.98 0.00 0.00 173.24 173.69 1psa s ILE 197 N -2.91 0.84 0.26 -1.02 1.01 -1.13 -2.18 121.20 116.07 1psa s ILE 197 Ca 0.12 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1psa s ILE 197 Cb 0.01 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 1psa s ILE 197 CO -0.01 0.32 -0.11 0.42 0.00 0.00 0.00 174.94 175.56 1psa s THR 198 N 1.78 1.85 -0.12 2.92 -4.23 -0.01 -0.93 115.64 116.90 1psa s THR 198 Ca 0.05 -2.20 -0.05 0.00 -1.18 0.00 0.00 61.69 58.31 1psa s THR 198 Cb -0.13 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.47 1psa s THR 198 CO -0.07 -0.41 0.25 -0.32 -0.54 0.00 0.00 174.62 173.53 1psa s MET 199 N -3.66 0.15 -1.55 3.99 0.00 -1.01 -0.64 119.30 116.58 1psa s MET 199 Ca 0.27 0.68 0.00 0.00 0.00 0.00 0.00 55.69 56.65 1psa s MET 199 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.76 1psa s MET 199 CO 0.11 -0.26 0.00 -0.25 0.00 0.00 0.00 175.02 174.62 1psa n ASP 200 N 5.09 -5.26 0.00 1.11 8.00 -1.26 -2.48 116.55 121.75 1psa n ASP 200 Ca -0.10 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1psa n ASP 200 Cb 0.50 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1psa n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1psa n GLY 201 N -1.02 3.05 3.75 0.44 0.00 -1.26 -5.03 105.19 105.11 1psa n GLY 201 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1psa n GLY 201 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1psa s GLU 202 N -0.28 4.27 0.01 1.61 2.02 -1.03 -4.97 118.70 120.32 1psa s GLU 202 Ca 0.00 0.49 -0.33 0.00 0.02 0.00 0.00 54.97 55.15 1psa s GLU 202 Cb 0.00 -3.39 -0.12 0.00 0.10 0.00 0.00 34.13 30.72 1psa s GLU 202 CO 0.00 0.27 1.81 2.41 0.02 0.00 0.00 175.26 179.77 1psa n THR 203 N 3.23 0.43 0.61 3.63 -1.04 -1.26 -2.41 114.28 117.46 1psa n THR 203 Ca -0.08 -0.08 0.06 0.00 -2.04 0.00 0.00 64.05 61.92 1psa n THR 203 Cb 0.52 -1.85 -0.04 0.00 -1.82 0.00 0.00 70.33 67.14 1psa n THR 203 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1psa n ILE 204 N 4.70 0.00 -3.73 12.58 -5.35 -0.11 -4.94 119.36 122.51 1psa n ILE 204 Ca 0.21 -0.27 -0.02 0.00 -0.27 0.00 0.00 62.75 62.39 1psa n ILE 204 Cb 0.31 1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 39.27 1psa n ILE 204 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1psa s ALA 205 N -1.97 -1.80 -1.54 -1.28 0.00 -1.22 -4.74 121.76 109.20 1psa s ALA 205 Ca 0.08 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 1psa s ALA 205 Cb 0.10 0.58 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1psa s ALA 205 CO 0.44 -1.05 0.69 0.00 0.00 0.00 0.00 175.76 175.85 1psa s SER 207 N -3.75 6.91 -0.30 0.00 0.15 -1.26 -1.68 113.70 113.77 1psa s SER 207 Ca 0.41 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1psa s SER 207 Cb -0.22 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1psa s SER 207 CO 0.89 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1psa n GLY 208 N 3.63 0.36 0.58 9.45 0.00 -1.26 -4.88 105.19 113.07 1psa n GLY 208 Ca 0.13 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.38 1psa n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psa n GLY 209 N -1.51 -3.13 3.50 -0.02 0.00 -0.67 -5.05 105.19 98.31 1psa n GLY 209 Ca -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1psa n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psa s GLN 211 N -3.97 4.10 0.02 0.00 -1.52 -1.26 -0.06 119.66 116.96 1psa s GLN 211 Ca 0.18 0.52 0.04 0.00 -1.95 0.00 0.00 55.36 54.15 1psa s GLN 211 Cb 0.00 -3.27 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 1psa s GLN 211 CO 0.04 0.56 -0.11 0.00 -0.25 0.00 0.00 175.29 175.52 1psa s ALA 212 N -0.70 0.91 0.10 6.09 0.00 -0.45 -0.65 121.76 127.06 1psa s ALA 212 Ca 0.26 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.67 1psa s ALA 212 Cb -0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1psa s ALA 212 CO 0.14 0.17 -0.16 0.96 0.00 0.00 0.00 175.76 176.88 1psa s ILE 213 N -0.64 2.96 -0.50 0.00 -4.36 0.16 -0.15 121.20 118.66 1psa s ILE 213 Ca 0.01 -1.38 -0.18 0.00 -0.26 0.00 0.00 60.65 58.84 1psa s ILE 213 Cb -0.06 -2.34 0.07 0.00 1.25 0.00 0.00 42.46 41.37 1psa s ILE 213 CO 0.00 0.15 0.54 -0.69 0.24 0.00 0.00 174.94 175.19 1psa s VAL 214 N -1.12 5.01 -0.27 8.37 1.01 -0.79 -0.62 120.40 131.99 1psa s VAL 214 Ca 0.18 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1psa s VAL 214 Cb -0.11 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1psa s VAL 214 CO 0.10 -0.75 -0.04 -0.62 0.00 0.00 0.00 175.10 173.79 1psa s ASP 215 N 2.75 4.58 0.50 3.32 -1.08 0.11 -4.68 116.67 122.18 1psa s ASP 215 Ca 0.10 -1.11 0.29 0.00 -0.52 0.00 0.00 52.55 51.31 1psa s ASP 215 Cb -0.22 -1.67 1.18 0.00 -1.46 0.00 0.00 42.92 40.75 1psa s ASP 215 CO 0.09 -0.19 1.92 0.71 0.52 0.00 0.00 175.17 178.22 1psa h THR 216 N 6.36 0.29 -0.11 1.71 1.35 -1.84 -2.55 112.91 118.12 1psa h THR 216 Ca -0.26 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1psa h THR 216 Cb 1.08 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1psa h THR 216 CO 0.54 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1psa n GLY 217 N 0.03 -0.09 3.50 5.82 0.00 -1.26 -4.70 105.19 108.48 1psa n GLY 217 Ca 0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1psa n GLY 217 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psa s THR 218 N -1.87 3.57 -0.07 2.61 2.01 -0.96 -5.02 115.64 115.92 1psa s THR 218 Ca 0.32 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 1psa s THR 218 Cb 0.17 -2.50 -0.18 0.00 0.01 0.00 0.00 72.50 70.00 1psa s THR 218 CO 0.26 0.54 0.88 0.28 -0.69 0.00 0.00 174.62 175.90 1psa h SER 219 N 6.09 -0.10 -4.34 3.53 0.02 -1.87 0.16 113.55 117.05 1psa h SER 219 Ca -0.37 -0.49 -0.39 0.00 -0.84 0.00 0.00 61.79 59.70 1psa h SER 219 Cb 1.19 0.03 0.12 0.00 0.14 0.00 0.00 62.40 63.87 1psa h SER 219 CO 0.57 0.53 0.25 0.18 -1.14 0.00 0.00 176.83 177.21 1psa n LEU 220 N -4.84 0.00 -4.44 5.07 4.77 -1.26 -2.13 117.00 114.18 1psa n LEU 220 Ca -0.08 -1.53 -0.43 0.00 -0.03 0.00 0.00 56.01 53.94 1psa n LEU 220 Cb 0.29 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 1psa n LEU 220 CO 0.27 -1.15 -0.05 -0.22 -1.33 0.00 0.00 177.39 174.91 1psa s LEU 221 N 0.00 5.21 0.04 2.23 0.20 0.40 -3.11 118.68 123.66 1psa s LEU 221 Ca 0.62 -1.02 0.01 0.00 0.69 0.00 0.00 54.13 54.44 1psa s LEU 221 Cb -0.02 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1psa s LEU 221 CO 0.43 -0.50 0.11 -0.89 -0.29 0.00 0.00 176.35 175.21 1psa s THR 222 N 1.66 4.80 0.27 3.68 2.01 -0.48 -0.66 115.64 126.92 1psa s THR 222 Ca 0.05 -0.55 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 1psa s THR 222 Cb -0.20 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1psa s THR 222 CO 0.09 0.21 0.68 -0.83 -0.69 0.00 0.00 174.62 174.08 1psa s GLY 223 N -2.17 -0.04 -0.17 4.40 0.00 -0.54 -0.57 107.32 108.23 1psa s GLY 223 Ca 0.28 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 1psa s GLY 223 CO 0.20 -0.15 2.11 -1.55 0.00 0.00 0.00 173.10 173.72 1psa n PRO 224 N -0.44 2.04 -0.01 2.90 -0.04 -1.25 -0.45 135.00 137.75 1psa n PRO 224 Ca -0.05 0.64 -0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1psa n PRO 224 Cb 0.60 -2.97 -0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1psa n PRO 224 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1psa n THR 225 N 6.79 -0.01 -0.29 0.52 -1.04 -1.26 0.02 114.28 119.00 1psa n THR 225 Ca 0.29 0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.47 1psa n THR 225 Cb 0.38 -0.08 0.27 0.00 -1.82 0.00 0.00 70.33 69.08 1psa n THR 225 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1psa h SER 226 N 0.00 0.20 0.11 8.00 4.64 -1.99 0.47 113.55 124.98 1psa h SER 226 Ca 0.00 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1psa h SER 226 Cb 0.01 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1psa h SER 226 CO -0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 176.83 175.86 1psa h ALA 227 N 1.70 -0.15 -0.91 5.18 0.00 -0.77 -3.09 119.26 121.22 1psa h ALA 227 Ca 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1psa h ALA 227 Cb 0.98 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1psa h ALA 227 CO -0.54 -0.50 0.55 0.82 0.00 0.00 0.00 179.25 179.58 1psa h ILE 228 N -0.32 1.25 -0.38 0.00 1.08 -1.21 -1.59 117.51 116.35 1psa h ILE 228 Ca -0.02 -0.54 0.04 0.00 -0.39 0.00 0.00 64.86 63.96 1psa h ILE 228 Cb 0.26 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 1psa h ILE 228 CO 0.02 0.26 0.25 0.00 -0.69 0.00 0.00 178.15 178.00 1psa h ALA 229 N 1.36 1.92 0.39 1.87 0.00 -0.87 -0.35 119.26 123.58 1psa h ALA 229 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1psa h ALA 229 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1psa h ALA 229 CO -0.06 0.02 -0.19 -0.91 0.00 0.00 0.00 179.25 178.11 1psa h ASN 230 N 0.34 -0.45 -0.68 0.00 2.35 -1.21 -3.07 115.58 112.86 1psa h ASN 230 Ca 0.16 -0.13 0.14 0.00 -0.55 0.00 0.00 56.30 55.92 1psa h ASN 230 Cb 0.20 0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.57 1psa h ASN 230 CO -0.04 -0.05 -0.04 0.40 -1.65 0.00 0.00 177.43 176.05 1psa h ILE 231 N -0.93 0.40 -0.83 2.81 2.04 -1.13 0.12 117.51 120.00 1psa h ILE 231 Ca -0.05 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.94 1psa h ILE 231 Cb 0.55 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 1psa h ILE 231 CO 0.09 0.01 0.38 1.56 0.00 0.00 0.00 178.15 180.20 1psa h GLN 232 N 0.08 0.50 -0.28 2.37 1.08 -1.14 0.58 115.11 118.31 1psa h GLN 232 Ca 0.35 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 1psa h GLN 232 Cb 0.58 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1psa h GLN 232 CO -0.62 0.33 -0.13 0.77 -0.95 0.00 0.00 178.83 178.24 1psa h SER 233 N 0.52 0.59 0.14 1.46 0.02 -0.74 0.65 113.55 116.19 1psa h SER 233 Ca 0.47 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1psa h SER 233 Cb 0.73 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1psa h SER 233 CO -0.41 0.86 0.00 0.47 -1.14 0.00 0.00 176.83 176.61 1psa n ASP 234 N -4.45 0.00 0.00 3.07 9.92 0.11 -0.51 116.55 124.70 1psa n ASP 234 Ca -0.04 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1psa n ASP 234 Cb 0.36 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1psa n ASP 234 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1psa n ILE 235 N -1.30 0.04 -3.00 0.53 -5.35 -0.68 -5.00 119.36 104.59 1psa n ILE 235 Ca 0.03 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 62.03 1psa n ILE 235 Cb 0.06 1.28 0.05 0.00 -1.74 0.00 0.00 39.64 39.29 1psa n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1psa n GLY 236 N -0.02 0.02 3.88 3.28 0.00 0.33 -4.99 105.19 107.70 1psa n GLY 236 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1psa n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psa s ALA 237 N -3.20 3.89 0.04 4.61 0.00 -0.26 -4.72 121.76 122.12 1psa s ALA 237 Ca 0.18 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1psa s ALA 237 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1psa s ALA 237 CO 0.43 0.80 0.11 -1.54 0.00 0.00 0.00 175.76 175.56 1psa s SER 238 N -2.39 0.16 0.10 0.00 1.04 0.10 -4.60 113.70 108.11 1psa s SER 238 Ca 0.32 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 1psa s SER 238 Cb -0.13 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 1psa s SER 238 CO 0.25 -0.52 0.88 -0.70 0.98 0.00 0.00 173.24 174.13 1psa s GLU 239 N -2.62 4.63 0.00 4.02 2.12 -1.26 -0.51 118.70 125.08 1psa s GLU 239 Ca -0.05 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.58 1psa s GLU 239 Cb -0.01 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1psa s GLU 239 CO -0.05 0.29 0.00 -1.71 -0.54 0.00 0.00 175.26 173.25 1psa n ASN 240 N 2.61 0.00 -3.77 -1.70 2.85 0.87 -4.95 115.26 111.17 1psa n ASN 240 Ca -0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1psa n ASN 240 Cb 0.49 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.35 1psa n ASN 240 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1psa s SER 241 N -0.54 3.34 -0.06 1.20 0.01 -1.26 -4.77 113.70 111.61 1psa s SER 241 Ca 0.00 -1.07 -0.02 0.00 1.31 0.00 0.00 55.95 56.17 1psa s SER 241 Cb 0.00 -0.77 0.01 0.00 0.21 0.00 0.00 66.02 65.47 1psa s SER 241 CO 0.00 -0.32 0.04 -0.67 0.41 0.00 0.00 173.24 172.71 1psa n ASP 242 N 4.93 -2.31 0.00 2.44 -0.08 -1.26 -4.52 116.55 115.76 1psa n ASP 242 Ca -0.08 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1psa n ASP 242 Cb 0.45 -2.12 0.00 0.00 2.34 0.00 0.00 41.12 41.79 1psa n ASP 242 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1psa n GLY 243 N 0.35 0.30 3.57 0.27 0.00 -1.26 -4.86 105.19 103.56 1psa n GLY 243 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1psa n GLY 243 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1psa s GLU 244 N 0.00 2.70 -1.03 1.61 2.02 -1.26 -4.83 118.70 117.90 1psa s GLU 244 Ca 0.00 -0.77 -0.20 0.00 0.02 0.00 0.00 54.97 54.02 1psa s GLU 244 Cb 0.00 -5.18 0.09 0.00 0.10 0.00 0.00 34.13 29.14 1psa s GLU 244 CO 0.00 -3.44 1.36 -1.64 0.02 0.00 0.00 175.26 171.56 1psa s MET 245 N 6.48 3.68 0.29 1.61 -1.94 -1.26 -0.09 119.30 128.07 1psa s MET 245 Ca 0.67 -1.59 -0.27 0.00 -1.71 0.00 0.00 55.69 52.78 1psa s MET 245 Cb -0.03 -5.19 -0.09 0.00 2.01 0.00 0.00 34.83 31.53 1psa s MET 245 CO 0.04 -2.01 0.92 0.54 -0.01 0.00 0.00 175.02 174.50 1psa s VAL 246 N 3.72 4.20 0.05 -6.03 0.11 0.33 -0.71 120.40 122.07 1psa s VAL 246 Ca 0.42 1.87 0.01 0.00 -2.93 0.00 0.00 61.98 61.35 1psa s VAL 246 Cb -0.02 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1psa s VAL 246 CO -0.07 0.27 -0.06 -0.51 -3.33 0.00 0.00 175.10 171.40 1psa s ILE 247 N -1.46 0.42 0.16 7.04 2.07 -1.09 -0.72 121.20 127.62 1psa s ILE 247 Ca 0.46 -1.25 -0.30 0.00 -1.41 0.00 0.00 60.65 58.16 1psa s ILE 247 Cb -0.21 -0.78 -0.07 0.00 0.13 0.00 0.00 42.46 41.53 1psa s ILE 247 CO 0.26 -0.55 1.04 -0.55 -1.91 0.00 0.00 174.94 173.23 1psa s SER 248 N -1.92 7.37 0.12 4.50 0.15 -1.26 -3.75 113.70 118.91 1psa s SER 248 Ca -0.06 1.99 0.14 0.00 0.70 0.00 0.00 55.95 58.72 1psa s SER 248 Cb -0.06 -2.60 0.65 0.00 -1.71 0.00 0.00 66.02 62.30 1psa s SER 248 CO -0.02 -0.14 1.45 0.00 1.20 0.00 0.00 173.24 175.73 1psa h SER 250 N 0.00 0.00 0.20 0.00 0.02 -2.00 -3.21 113.55 108.57 1psa h SER 250 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1psa h SER 250 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1psa h SER 250 CO 0.00 0.42 -0.23 0.28 -1.14 0.00 0.00 176.83 176.16 1psa h SER 251 N 0.00 0.06 -1.06 3.07 0.02 -1.92 -3.19 113.55 110.54 1psa h SER 251 Ca -0.00 -0.01 0.28 0.00 -0.84 0.00 0.00 61.79 61.21 1psa h SER 251 Cb 0.95 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 1psa h SER 251 CO 0.05 0.30 0.70 0.40 -1.14 0.00 0.00 176.83 177.14 1psa h ILE 252 N 0.06 0.50 -0.47 3.27 2.04 -1.73 -0.38 117.51 120.80 1psa h ILE 252 Ca 0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1psa h ILE 252 Cb 0.44 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1psa h ILE 252 CO 0.03 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.71 1psa n ASP 253 N -4.56 2.78 -0.00 1.72 8.00 -1.20 -3.81 116.55 119.48 1psa n ASP 253 Ca 0.25 -2.08 -0.00 0.00 0.71 0.00 0.00 54.79 53.67 1psa n ASP 253 Cb 0.94 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1psa n ASP 253 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1psa n SER 254 N 0.85 4.74 -4.77 -2.24 7.64 -0.17 -5.07 113.62 114.59 1psa n SER 254 Ca 0.16 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 1psa n SER 254 Cb 0.47 0.58 0.04 0.00 -1.01 0.00 0.00 64.21 64.29 1psa n SER 254 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1psa s LEU 255 N -3.97 3.42 0.31 -3.43 1.43 -1.08 -5.05 118.68 110.31 1psa s LEU 255 Ca -0.01 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 1psa s LEU 255 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1psa s LEU 255 CO 0.04 -1.56 0.46 -2.16 0.23 0.00 0.00 176.35 173.36 1psa s PRO 256 N -4.06 3.28 0.54 1.29 0.04 -1.26 -4.73 135.00 130.10 1psa s PRO 256 Ca 0.67 -0.77 -0.21 0.00 0.04 0.00 0.00 61.00 60.73 1psa s PRO 256 Cb -0.20 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 1psa s PRO 256 CO 0.40 0.18 1.23 -0.51 0.04 0.00 0.00 177.00 178.35 1psa s ASP 257 N -4.09 5.49 -0.23 6.66 1.11 -1.26 -4.57 116.67 119.78 1psa s ASP 257 Ca 0.41 2.46 -0.06 0.00 0.18 0.00 0.00 52.55 55.54 1psa s ASP 257 Cb -0.09 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 1psa s ASP 257 CO 0.32 -1.39 0.02 -0.63 1.18 0.00 0.00 175.17 174.66 1psa s ILE 258 N -1.51 3.92 -0.15 0.77 1.01 -0.92 -4.36 121.20 119.96 1psa s ILE 258 Ca 0.72 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1psa s ILE 258 Cb -0.32 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1psa s ILE 258 CO 0.37 0.38 0.02 -0.69 0.00 0.00 0.00 174.94 175.02 1psa s VAL 259 N 1.49 4.43 -0.30 2.92 1.01 0.19 -0.77 120.40 129.37 1psa s VAL 259 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1psa s VAL 259 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1psa s VAL 259 CO 0.01 0.51 0.13 -0.36 0.00 0.00 0.00 175.10 175.39 1psa s PHE 260 N 0.05 3.16 -0.34 5.22 0.40 0.03 -0.83 117.98 125.67 1psa s PHE 260 Ca 0.03 -0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 1psa s PHE 260 Cb -0.13 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1psa s PHE 260 CO 0.02 -0.46 0.24 0.99 0.70 0.00 0.00 175.22 176.70 1psa s THR 261 N 1.60 5.26 -0.12 0.64 2.01 -0.93 0.59 115.64 124.69 1psa s THR 261 Ca 0.04 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1psa s THR 261 Cb -0.17 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1psa s THR 261 CO 0.05 -0.02 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.15 1psa s ILE 262 N 1.72 1.71 -1.50 1.82 1.01 -0.16 -0.61 121.20 125.19 1psa s ILE 262 Ca 0.06 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1psa s ILE 262 Cb -0.17 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.82 1psa s ILE 262 CO 0.10 0.48 0.89 -3.20 0.00 0.00 0.00 174.94 173.21 1psa n ASN 263 N 4.15 -3.78 0.00 3.58 5.15 -1.26 -2.14 115.26 120.96 1psa n ASN 263 Ca -0.19 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 1psa n ASN 263 Cb 0.51 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.99 1psa n ASN 263 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1psa n GLY 264 N -1.67 2.83 3.88 8.20 0.00 -1.26 -5.01 105.19 112.17 1psa n GLY 264 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1psa n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1psa s VAL 265 N -1.97 5.37 -0.10 1.61 1.01 -0.91 -5.07 120.40 120.34 1psa s VAL 265 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1psa s VAL 265 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1psa s VAL 265 CO 0.00 0.47 0.42 -1.10 0.00 0.00 0.00 175.10 174.89 1psa s GLN 266 N -1.45 4.22 -0.34 2.72 1.11 -1.26 -0.99 119.66 123.67 1psa s GLN 266 Ca 0.23 0.36 0.03 0.00 0.01 0.00 0.00 55.36 55.98 1psa s GLN 266 Cb -0.13 -3.38 0.10 0.00 -1.01 0.00 0.00 33.01 28.59 1psa s GLN 266 CO 0.12 0.30 0.07 0.71 0.01 0.00 0.00 175.29 176.50 1psa s TYR 267 N 0.18 3.15 0.16 0.91 1.51 0.20 -4.93 117.35 118.53 1psa s TYR 267 Ca 0.23 -2.64 -0.30 0.00 -1.01 0.00 0.00 57.07 53.35 1psa s TYR 267 Cb -0.15 -2.57 -0.07 0.00 -0.11 0.00 0.00 41.96 39.06 1psa s TYR 267 CO 0.09 -0.92 0.95 -1.25 -1.11 0.00 0.00 175.55 173.31 1psa s PRO 268 N 1.08 4.75 -0.23 -1.71 0.04 -1.26 -0.79 135.00 136.89 1psa s PRO 268 Ca 0.11 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1psa s PRO 268 Cb -0.19 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1psa s PRO 268 CO -0.13 0.32 0.08 -0.51 0.04 0.00 0.00 177.00 176.80 1psa s LEU 269 N -0.41 3.65 0.87 -3.56 1.43 0.05 -4.97 118.68 115.73 1psa s LEU 269 Ca 0.45 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1psa s LEU 269 Cb -0.24 -1.96 0.12 0.00 0.03 0.00 0.00 46.19 44.13 1psa s LEU 269 CO 0.31 0.04 1.10 -0.94 0.23 0.00 0.00 176.35 177.09 1psa s SER 270 N 1.15 3.59 0.31 2.29 1.04 -1.26 -2.17 113.70 118.66 1psa s SER 270 Ca 0.05 1.74 0.04 0.00 0.48 0.00 0.00 55.95 58.26 1psa s SER 270 Cb -0.14 -2.38 0.66 0.00 0.10 0.00 0.00 66.02 64.26 1psa s SER 270 CO 0.04 -2.60 1.86 -0.65 0.98 0.00 0.00 173.24 172.86 1psa h PRO 271 N -1.52 0.85 0.00 4.02 0.11 -1.85 0.12 132.00 133.73 1psa h PRO 271 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1psa h PRO 271 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1psa h PRO 271 CO 0.51 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 177.73 1psa n SER 272 N -4.58 0.00 -0.12 -2.05 3.41 -1.26 -1.15 113.62 107.86 1psa n SER 272 Ca 0.18 -0.73 -0.18 0.00 -0.26 0.00 0.00 58.87 57.87 1psa n SER 272 Cb 0.38 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 1psa n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1psa n ALA 273 N -0.92 1.45 0.55 7.33 0.00 0.37 -4.67 120.51 124.63 1psa n ALA 273 Ca 0.13 -1.05 0.10 0.00 0.00 0.00 0.00 53.44 52.63 1psa n ALA 273 Cb 0.06 -0.04 0.27 0.00 0.00 0.00 0.00 19.45 19.74 1psa n ALA 273 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1psa n TYR 274 N -3.34 0.50 -4.53 0.00 0.18 -0.80 -4.71 117.16 104.46 1psa n TYR 274 Ca -0.44 -0.25 -0.33 0.00 1.88 0.00 0.00 57.90 58.76 1psa n TYR 274 Cb 0.95 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.76 1psa n TYR 274 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1psa s ILE 275 N -1.50 2.51 -0.16 -3.48 1.01 -0.30 -1.03 121.20 118.24 1psa s ILE 275 Ca 0.36 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 1psa s ILE 275 Cb 0.20 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1psa s ILE 275 CO 0.28 0.52 0.13 -0.76 0.00 0.00 0.00 174.94 175.11 1psa s LEU 276 N 0.85 4.27 -0.13 2.97 1.43 -1.17 -4.81 118.68 122.09 1psa s LEU 276 Ca -0.05 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1psa s LEU 276 Cb -0.15 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1psa s LEU 276 CO -0.01 0.29 -0.08 -1.58 0.23 0.00 0.00 176.35 175.21 1psa s GLN 277 N -0.34 1.59 -0.24 1.70 0.74 -1.26 -0.33 119.66 121.52 1psa s GLN 277 Ca 0.11 -0.37 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 1psa s GLN 277 Cb -0.12 -1.77 -0.02 0.00 1.10 0.00 0.00 33.01 32.20 1psa s GLN 277 CO 0.01 -0.31 0.03 0.34 -0.55 0.00 0.00 175.29 174.81 1psa s ASP 278 N 1.66 4.86 0.00 6.67 2.15 0.93 -4.89 116.67 128.05 1psa s ASP 278 Ca 0.04 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1psa s ASP 278 Cb -0.13 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1psa s ASP 278 CO -0.08 -0.03 0.00 0.47 -0.17 0.00 0.00 175.17 175.36 1psa n ASP 279 N 4.87 0.00 0.00 -0.34 9.92 -1.26 -1.19 116.55 128.55 1psa n ASP 279 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1psa n ASP 279 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1psa n ASP 279 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1psa n ASP 280 N 1.64 1.48 -4.02 -2.24 5.75 -1.26 -4.99 116.55 112.91 1psa n ASP 280 Ca 0.00 -1.58 -0.13 0.00 -0.01 0.00 0.00 54.79 53.06 1psa n ASP 280 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1psa n ASP 280 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1psa s SER 281 N -0.58 0.70 0.25 -1.12 0.15 -0.33 -4.88 113.70 107.88 1psa s SER 281 Ca 0.00 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.37 1psa s SER 281 Cb 0.00 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1psa s SER 281 CO 0.00 -0.12 -0.17 0.00 1.20 0.00 0.00 173.24 174.15 1psa s THR 283 N -2.20 0.00 0.01 0.00 -4.23 0.54 -2.68 115.64 107.09 1psa s THR 283 Ca 0.27 -1.87 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1psa s THR 283 Cb -0.06 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1psa s THR 283 CO 0.15 0.00 0.49 -0.55 -0.54 0.00 0.00 174.62 174.16 1psa s SER 284 N -3.17 6.90 0.00 3.99 0.15 0.11 -3.03 113.70 118.65 1psa s SER 284 Ca 0.36 1.07 0.23 0.00 0.70 0.00 0.00 55.95 58.31 1psa s SER 284 Cb 0.05 -2.30 0.99 0.00 -1.71 0.00 0.00 66.02 63.04 1psa s SER 284 CO 0.14 0.26 1.74 0.61 1.20 0.00 0.00 173.24 177.19 1psa n GLY 285 N 1.98 -1.28 3.79 9.45 0.00 -0.20 -4.80 105.19 114.13 1psa n GLY 285 Ca -0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1psa n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1psa s PHE 286 N -2.98 3.55 -0.02 1.61 0.40 -1.26 -0.45 117.98 118.83 1psa s PHE 286 Ca 0.12 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.15 1psa s PHE 286 Cb 0.15 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1psa s PHE 286 CO 0.42 0.45 -0.17 -2.00 0.70 0.00 0.00 175.22 174.61 1psa s GLU 287 N -0.25 1.54 0.02 0.44 2.12 0.17 -4.92 118.70 117.83 1psa s GLU 287 Ca 0.17 -0.62 -0.24 0.00 0.36 0.00 0.00 54.97 54.65 1psa s GLU 287 Cb -0.13 -1.43 -0.05 0.00 0.26 0.00 0.00 34.13 32.77 1psa s GLU 287 CO 0.06 0.33 0.72 0.20 -0.54 0.00 0.00 175.26 176.03 1psa s GLY 288 N -0.26 2.73 -0.30 -1.50 0.00 -1.26 -1.46 107.32 105.27 1psa s GLY 288 Ca 0.03 0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 1psa s GLY 288 CO 0.00 1.02 0.79 -0.29 0.00 0.00 0.00 173.10 174.62 1psa s MET 289 N -0.01 0.41 -0.27 2.90 0.00 0.40 -4.79 119.30 117.94 1psa s MET 289 Ca 0.37 0.68 -0.28 0.00 0.00 0.00 0.00 55.69 56.45 1psa s MET 289 Cb -0.20 0.37 0.01 0.00 0.00 0.00 0.00 34.83 35.02 1psa s MET 289 CO 0.21 -0.49 1.01 -0.51 0.00 0.00 0.00 175.02 175.25 1psa s ASP 290 N 2.90 6.97 -0.65 1.11 1.01 -1.26 -3.88 116.67 122.87 1psa s ASP 290 Ca 0.12 1.16 0.05 0.00 0.71 0.00 0.00 52.55 54.59 1psa s ASP 290 Cb -0.12 -2.52 0.16 0.00 1.01 0.00 0.00 42.92 41.45 1psa s ASP 290 CO -0.18 -0.73 0.45 -0.69 0.21 0.00 0.00 175.17 174.23 1psa s VAL 291 N 3.32 2.59 0.08 -1.27 1.01 -1.26 -5.06 120.40 119.82 1psa s VAL 291 Ca 0.43 -4.00 -0.31 0.00 0.00 0.00 0.00 61.98 58.10 1psa s VAL 291 Cb -0.14 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 1psa s VAL 291 CO 0.10 -1.01 1.43 -2.16 0.00 0.00 0.00 175.10 173.46 1psa s PRO 292 N -1.17 4.29 0.32 2.72 0.04 -1.26 -1.94 135.00 138.00 1psa s PRO 292 Ca 0.25 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.41 1psa s PRO 292 Cb -0.06 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1psa s PRO 292 CO -0.15 -0.51 0.05 0.99 0.04 0.00 0.00 177.00 177.42 1psa s THR 293 N 1.60 1.17 0.33 1.26 2.01 -0.83 -4.98 115.64 116.21 1psa s THR 293 Ca 0.66 -2.01 0.19 0.00 0.31 0.00 0.00 61.69 60.84 1psa s THR 293 Cb -0.36 -2.76 0.17 0.00 0.01 0.00 0.00 72.50 69.56 1psa s THR 293 CO 0.29 -0.02 1.88 0.77 -0.69 0.00 0.00 174.62 176.85 1psa h SER 294 N 2.14 0.00 -0.75 3.53 4.64 -2.05 -2.85 113.55 118.22 1psa h SER 294 Ca -0.41 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.49 1psa h SER 294 Cb 1.24 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.10 1psa h SER 294 CO 0.69 0.29 0.54 -1.54 -0.87 0.00 0.00 176.83 175.93 1psa n SER 295 N -3.80 4.41 0.00 4.97 3.41 -1.26 -5.04 113.62 116.31 1psa n SER 295 Ca -0.01 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 1psa n SER 295 Cb 0.38 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1psa n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1psa n GLY 296 N -0.65 1.79 3.61 5.00 0.00 -1.08 -4.83 105.19 109.04 1psa n GLY 296 Ca 0.46 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1psa n GLY 296 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1psa s GLU 297 N -2.28 3.89 0.60 1.61 2.12 -1.26 -1.97 118.70 121.40 1psa s GLU 297 Ca 0.00 0.63 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 1psa s GLU 297 Cb 0.00 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1psa s GLU 297 CO 0.00 -0.88 1.10 -0.51 -0.54 0.00 0.00 175.26 174.43 1psa s LEU 298 N 3.36 3.55 -0.25 2.70 2.01 -0.82 -4.61 118.68 124.62 1psa s LEU 298 Ca 0.37 2.02 -0.05 0.00 0.01 0.00 0.00 54.13 56.48 1psa s LEU 298 Cb -0.13 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.52 1psa s LEU 298 CO 0.17 -1.36 0.00 0.26 1.01 0.00 0.00 176.35 176.43 1psa s TRP 299 N -2.16 3.05 -0.24 0.29 0.52 0.17 -4.11 118.94 116.46 1psa s TRP 299 Ca 0.68 -1.01 -0.10 0.00 0.02 0.00 0.00 56.10 55.70 1psa s TRP 299 Cb -0.20 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1psa s TRP 299 CO 0.35 -0.57 0.14 0.42 0.02 0.00 0.00 176.95 177.30 1psa s ILE 300 N 1.47 5.08 -0.80 2.03 1.01 0.26 -0.67 121.20 129.58 1psa s ILE 300 Ca 0.04 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.63 1psa s ILE 300 Cb -0.16 -3.37 0.21 0.00 0.01 0.00 0.00 42.46 39.15 1psa s ILE 300 CO -0.01 0.34 0.74 -0.76 0.00 0.00 0.00 174.94 175.24 1psa s LEU 301 N 1.24 6.69 0.00 2.97 1.43 0.21 -1.38 118.68 129.85 1psa s LEU 301 Ca 0.06 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 50.56 1psa s LEU 301 Cb -0.14 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1psa s LEU 301 CO 0.05 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1psa n GLY 302 N 4.09 -0.64 0.27 -3.19 0.00 -1.18 -0.71 105.19 103.82 1psa n GLY 302 Ca 0.11 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1psa n GLY 302 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1psa h ASP 303 N 0.00 0.27 -0.98 1.61 3.32 -0.79 0.47 116.42 120.31 1psa h ASP 303 Ca 0.00 -0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.25 1psa h ASP 303 Cb 0.00 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.39 1psa h ASP 303 CO 0.00 0.27 0.63 0.58 -1.72 0.00 0.00 179.24 179.00 1psa h VAL 304 N 0.30 0.62 0.00 -1.35 2.07 -1.65 0.22 116.25 116.47 1psa h VAL 304 Ca 0.08 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 1psa h VAL 304 Cb 0.11 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1psa h VAL 304 CO -0.00 0.09 -0.95 0.15 0.02 0.00 0.00 177.57 176.88 1psa h PHE 305 N 0.49 0.00 -0.76 1.57 3.04 -1.29 -3.38 116.94 116.61 1psa h PHE 305 Ca 0.55 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.69 1psa h PHE 305 Cb 1.24 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.70 1psa h PHE 305 CO -0.00 0.98 0.53 0.82 -2.02 0.00 0.00 178.31 178.62 1psa h ILE 306 N -1.00 0.69 -0.78 1.41 2.04 -0.79 0.86 117.51 119.93 1psa h ILE 306 Ca -0.22 -0.06 0.23 0.00 1.00 0.00 0.00 64.86 65.80 1psa h ILE 306 Cb 1.02 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1psa h ILE 306 CO -0.13 0.03 0.56 0.03 0.00 0.00 0.00 178.15 178.64 1psa h ARG 307 N 0.19 0.00 0.00 2.37 3.08 -0.76 -2.16 114.38 117.10 1psa h ARG 307 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1psa h ARG 307 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1psa h ARG 307 CO -0.07 0.00 -1.17 1.04 -1.07 0.00 0.00 179.97 178.71 1psa n GLN 308 N -4.30 0.22 -3.71 0.04 1.13 0.29 -4.82 117.38 106.23 1psa n GLN 308 Ca 0.16 -0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.94 1psa n GLN 308 Cb 0.85 -1.53 -0.17 0.00 0.11 0.00 0.00 30.24 29.50 1psa n GLN 308 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1psa s TYR 309 N -3.16 0.54 0.09 1.08 2.02 -0.81 -2.13 117.35 114.98 1psa s TYR 309 Ca 0.04 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.14 1psa s TYR 309 Cb 0.15 -0.77 -0.09 0.00 -0.40 0.00 0.00 41.96 40.85 1psa s TYR 309 CO 0.84 -0.41 1.71 -0.47 -1.57 0.00 0.00 175.55 175.65 1psa s TYR 310 N 2.02 2.36 -0.10 2.71 5.04 -0.51 -4.67 117.35 124.19 1psa s TYR 310 Ca 0.03 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 1psa s TYR 310 Cb -0.14 -4.03 -0.02 0.00 0.35 0.00 0.00 41.96 38.11 1psa s TYR 310 CO -0.06 -4.18 -0.13 0.99 -1.34 0.00 0.00 175.55 170.83 1psa s THR 311 N 2.61 3.10 0.01 4.34 2.01 -0.96 -3.12 115.64 123.62 1psa s THR 311 Ca 0.76 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1psa s THR 311 Cb -0.42 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1psa s THR 311 CO 0.34 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.98 1psa s VAL 312 N -0.04 3.04 -0.32 3.82 1.01 0.06 -0.45 120.40 127.53 1psa s VAL 312 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1psa s VAL 312 Cb -0.14 -2.26 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1psa s VAL 312 CO 0.04 0.43 0.08 -0.36 0.00 0.00 0.00 175.10 175.29 1psa s PHE 313 N -0.88 2.32 -0.38 5.22 0.40 -0.03 -1.25 117.98 123.38 1psa s PHE 313 Ca 0.14 -2.11 -0.18 0.00 -0.60 0.00 0.00 56.93 54.18 1psa s PHE 313 Cb -0.11 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1psa s PHE 313 CO 0.04 -0.90 0.51 0.34 0.70 0.00 0.00 175.22 175.92 1psa s ASP 314 N 1.40 6.28 0.06 1.36 -1.08 0.10 -2.67 116.67 122.13 1psa s ASP 314 Ca 0.10 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 52.01 1psa s ASP 314 Cb -0.18 -2.26 -0.19 0.00 -1.46 0.00 0.00 42.92 38.83 1psa s ASP 314 CO -0.20 -0.55 1.01 0.03 0.52 0.00 0.00 175.17 175.98 1psa h ARG 315 N 8.59 0.00 -0.72 4.34 2.47 -1.09 0.16 114.38 128.13 1psa h ARG 315 Ca -0.27 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1psa h ARG 315 Cb 1.12 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.39 1psa h ARG 315 CO 0.79 0.69 0.48 0.00 0.56 0.00 0.00 179.97 182.49 1psa h ALA 316 N 1.08 1.94 0.00 0.04 0.00 -1.80 -3.06 119.26 117.45 1psa h ALA 316 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1psa h ALA 316 Cb 1.82 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1psa h ALA 316 CO 0.10 -0.11 -0.16 0.27 0.00 0.00 0.00 179.25 179.35 1psa n ASN 317 N -4.49 1.03 -3.75 0.00 2.04 -1.24 -5.04 115.26 103.82 1psa n ASN 317 Ca 0.13 -2.11 -0.33 0.00 -0.44 0.00 0.00 54.58 51.83 1psa n ASN 317 Cb 0.40 -0.19 0.04 0.00 -2.53 0.00 0.00 39.78 37.50 1psa n ASN 317 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1psa n ASN 318 N -0.50 -4.78 -4.01 0.53 3.02 -0.04 -4.92 115.26 104.56 1psa n ASN 318 Ca 0.05 -1.05 -0.14 0.00 -0.03 0.00 0.00 54.58 53.40 1psa n ASN 318 Cb 0.56 -3.16 -0.13 0.00 -0.61 0.00 0.00 39.78 36.44 1psa n ASN 318 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1psa s LYS 319 N -6.19 0.47 -0.20 3.52 1.02 -0.70 -2.06 119.74 115.60 1psa s LYS 319 Ca 0.44 -0.48 -0.10 0.00 0.02 0.00 0.00 55.97 55.85 1psa s LYS 319 Cb -0.17 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.76 1psa s LYS 319 CO 0.88 0.08 0.13 0.08 -0.92 0.00 0.00 175.35 175.60 1psa s VAL 320 N -0.78 5.41 -0.16 3.17 1.01 0.33 -0.72 120.40 128.67 1psa s VAL 320 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1psa s VAL 320 Cb -0.06 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1psa s VAL 320 CO 0.00 0.45 -0.09 -0.83 0.00 0.00 0.00 175.10 174.62 1psa s GLY 321 N 0.31 1.59 0.05 4.51 0.00 -0.38 -0.75 107.32 112.64 1psa s GLY 321 Ca 0.08 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.91 1psa s GLY 321 CO -0.02 0.00 -0.19 1.08 0.00 0.00 0.00 173.10 173.98 1psa s LEU 322 N 0.67 2.19 0.01 0.66 1.43 -0.20 -0.76 118.68 122.67 1psa s LEU 322 Ca -0.05 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 1psa s LEU 322 Cb -0.15 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.29 1psa s LEU 322 CO 0.02 0.11 0.64 0.00 0.23 0.00 0.00 176.35 177.35 1psa s ALA 323 N -0.86 -1.67 0.34 4.21 0.00 -1.18 -0.79 121.76 121.81 1psa s ALA 323 Ca 0.05 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 1psa s ALA 323 Cb -0.09 0.24 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 1psa s ALA 323 CO 0.02 -0.47 1.28 -2.14 0.00 0.00 0.00 175.76 174.45 1psa s PRO 324 N -1.90 4.32 0.83 0.00 0.02 -1.26 -1.43 135.00 135.59 1psa s PRO 324 Ca -0.08 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.98 1psa s PRO 324 Cb -0.00 -3.03 0.10 0.00 0.02 0.00 0.00 34.50 31.59 1psa s PRO 324 CO 0.03 -0.19 1.17 0.14 -0.33 0.00 0.00 177.00 177.82 1psa s VAL 325 N -1.17 2.24 -2.00 3.83 -7.23 -0.91 -0.66 120.40 114.51 1psa s VAL 325 Ca 0.50 0.09 0.28 0.00 -1.81 0.00 0.00 61.98 61.05 1psa s VAL 325 Cb -0.38 -2.38 0.80 0.00 0.56 0.00 0.00 36.38 34.98 1psa s VAL 325 CO 0.51 -0.09 2.03 0.00 -0.31 0.00 0.00 175.10 177.24