#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 2.44 -0.27 4.50 0.00 -0.08 -4.92 107.32 108.98 1psa s GLY 2 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1psa s GLY 2 CO 0.00 0.08 -0.08 -0.35 0.00 0.00 0.00 173.10 172.75 1psa s ASP 3 N -1.71 4.49 -0.31 1.64 2.15 -0.41 -0.80 116.67 121.73 1psa s ASP 3 Ca 0.36 -1.52 0.01 0.00 0.43 0.00 0.00 52.55 51.83 1psa s ASP 3 Cb -0.15 -1.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.99 1psa s ASP 3 CO 0.19 -0.22 -0.00 -0.70 -0.17 0.00 0.00 175.17 174.26 1psa s GLU 4 N 1.07 2.10 0.37 4.34 2.56 -0.19 -4.47 118.70 124.48 1psa s GLU 4 Ca -0.06 -1.50 -0.26 0.00 0.00 0.00 0.00 54.97 53.15 1psa s GLU 4 Cb -0.20 -3.13 -0.09 0.00 2.00 0.00 0.00 34.13 32.71 1psa s GLU 4 CO -0.06 -0.73 1.10 -2.14 -0.56 0.00 0.00 175.26 172.87 1psa s PRO 5 N 1.11 4.26 -0.01 4.30 0.02 -1.26 -1.40 135.00 142.01 1psa s PRO 5 Ca -0.01 1.69 0.07 0.00 0.02 0.00 0.00 61.00 62.77 1psa s PRO 5 Cb -0.20 -2.76 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 1psa s PRO 5 CO -0.04 -0.10 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.78 1psa s LEU 6 N -2.27 2.23 -0.20 -5.54 1.43 -0.18 -4.38 118.68 109.77 1psa s LEU 6 Ca 0.54 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1psa s LEU 6 Cb -0.27 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1psa s LEU 6 CO 0.35 0.31 0.96 -0.70 0.23 0.00 0.00 176.35 177.49 1psa s GLU 7 N -0.81 4.28 -0.76 1.70 -6.30 0.91 -4.15 118.70 113.58 1psa s GLU 7 Ca 0.11 1.22 -0.25 0.00 -2.50 0.00 0.00 54.97 53.56 1psa s GLU 7 Cb -0.10 -3.61 0.05 0.00 0.00 0.00 0.00 34.13 30.47 1psa s GLU 7 CO 0.00 -0.50 1.20 1.21 0.02 0.00 0.00 175.26 177.19 1psa s ASN 8 N 1.20 6.23 -0.51 -1.70 3.84 -1.26 -2.82 114.94 119.93 1psa s ASN 8 Ca 0.42 -0.82 -0.18 0.00 0.21 0.00 0.00 52.86 52.49 1psa s ASN 8 Cb -0.16 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.10 1psa s ASN 8 CO 0.10 -1.64 0.57 -0.47 -2.79 0.00 0.00 177.10 172.87 1psa s TYR 9 N 4.98 3.10 -1.61 0.43 5.04 0.26 -4.59 117.35 124.95 1psa s TYR 9 Ca 0.32 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1psa s TYR 9 Cb -0.10 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.73 1psa s TYR 9 CO 0.09 -0.99 0.00 1.28 -1.34 0.00 0.00 175.55 174.59 1psa n LEU 10 N 5.92 -1.65 -0.45 6.97 4.77 -1.26 -1.21 117.00 130.08 1psa n LEU 10 Ca -0.08 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1psa n LEU 10 Cb 0.45 -2.69 -0.02 0.00 -2.33 0.00 0.00 43.42 38.83 1psa n LEU 10 CO 0.53 -0.29 -0.05 0.47 -1.33 0.00 0.00 177.39 176.72 1psa n ASP 11 N -1.84 -4.24 -0.04 -1.43 8.00 -1.26 -4.73 116.55 111.01 1psa n ASP 11 Ca -0.21 0.12 -0.04 0.00 0.71 0.00 0.00 54.79 55.36 1psa n ASP 11 Cb 0.66 -2.99 -0.06 0.00 -0.02 0.00 0.00 41.12 38.71 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 -1.62 0.56 -4.24 -3.53 -1.04 -0.76 -4.90 114.28 98.75 1psa n THR 12 Ca -0.05 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.05 61.43 1psa n THR 12 Cb 0.41 -0.79 -0.16 0.00 -1.82 0.00 0.00 70.33 67.97 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 -2.20 0.84 -0.22 -2.82 2.02 -0.35 -4.54 118.70 111.43 1psa s GLU 13 Ca -0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 1psa s GLU 13 Cb 0.02 -0.82 0.06 0.00 0.10 0.00 0.00 34.13 33.50 1psa s GLU 13 CO 0.33 -0.01 -0.03 0.71 0.02 0.00 0.00 175.26 176.28 1psa s TYR 14 N 0.61 1.97 0.15 1.61 1.51 -1.26 -0.57 117.35 121.37 1psa s TYR 14 Ca -0.08 -1.46 0.09 0.00 -1.01 0.00 0.00 57.07 54.60 1psa s TYR 14 Cb -0.12 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1psa s TYR 14 CO 0.00 -0.72 -0.19 -0.59 -1.11 0.00 0.00 175.55 172.94 1psa s PHE 15 N 1.54 1.84 0.11 2.71 -0.12 -1.13 -4.21 117.98 118.72 1psa s PHE 15 Ca -0.04 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1psa s PHE 15 Cb -0.18 -0.93 -0.00 0.00 -0.63 0.00 0.00 43.02 41.27 1psa s PHE 15 CO -0.07 0.31 0.04 0.41 -0.05 0.00 0.00 175.22 175.86 1psa n GLY 16 N 0.45 3.88 3.31 1.99 0.00 -0.67 -0.06 105.19 114.08 1psa n GLY 16 Ca -0.14 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.94 1.96 0.22 2.61 2.01 -1.26 -1.37 115.64 117.87 1psa s THR 17 Ca 0.05 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1psa s THR 17 Cb 0.00 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1psa s THR 17 CO 0.04 0.29 0.10 0.27 -0.69 0.00 0.00 174.62 174.63 1psa s ILE 18 N -0.82 0.29 -0.05 1.82 -4.36 0.06 -4.68 121.20 113.46 1psa s ILE 18 Ca 0.10 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1psa s ILE 18 Cb -0.10 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.11 1psa s ILE 18 CO 0.02 -0.06 -0.20 -0.83 0.24 0.00 0.00 174.94 174.11 1psa s GLY 19 N -3.22 1.07 -0.15 6.27 0.00 -0.56 -2.03 107.32 108.70 1psa s GLY 19 Ca 0.36 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1psa s GLY 19 CO 0.11 -0.42 -0.20 -0.42 0.00 0.00 0.00 173.10 172.17 1psa s ILE 20 N 0.03 2.20 0.00 0.90 1.01 -0.72 -0.34 121.20 124.28 1psa s ILE 20 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1psa s ILE 20 Cb -0.13 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1psa s ILE 20 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1psa n GLY 21 N 4.13 2.61 3.23 6.18 0.00 -0.37 -1.61 105.19 119.36 1psa n GLY 21 Ca -0.20 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.60 2.53 0.67 2.61 2.01 -1.26 -2.35 115.64 117.25 1psa s THR 22 Ca 0.00 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 1psa s THR 22 Cb 0.00 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.44 1psa s THR 22 CO 0.00 0.52 1.08 -2.16 -0.69 0.00 0.00 174.62 173.37 1psa s PRO 23 N 0.92 2.88 0.01 4.92 0.04 -1.26 -0.58 135.00 141.93 1psa s PRO 23 Ca -0.04 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1psa s PRO 23 Cb -0.15 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1psa s PRO 23 CO -0.02 -1.16 1.08 0.00 0.04 0.00 0.00 177.00 176.93 1psa s ALA 24 N -2.61 3.28 -0.02 8.56 0.00 -0.99 -4.87 121.76 125.11 1psa s ALA 24 Ca 0.63 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 1psa s ALA 24 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1psa s ALA 24 CO 0.45 -0.36 0.56 -0.65 0.00 0.00 0.00 175.76 175.77 1psa s GLN 25 N 1.16 4.28 0.32 0.00 -0.21 -0.64 -4.80 119.66 119.78 1psa s GLN 25 Ca 0.55 0.67 -0.27 0.00 0.02 0.00 0.00 55.36 56.33 1psa s GLN 25 Cb -0.24 -3.34 -0.09 0.00 1.00 0.00 0.00 33.01 30.33 1psa s GLN 25 CO 0.27 0.37 1.00 -0.51 -2.12 0.00 0.00 175.29 174.31 1psa s ASP 26 N -0.17 7.21 -0.11 5.90 1.01 -1.26 -1.75 116.67 127.50 1psa s ASP 26 Ca 0.30 1.99 -0.16 0.00 0.71 0.00 0.00 52.55 55.39 1psa s ASP 26 Cb -0.18 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.20 1psa s ASP 26 CO 0.16 -0.16 0.41 -0.36 0.21 0.00 0.00 175.17 175.42 1psa s PHE 27 N -1.48 -0.40 -0.17 4.23 0.08 -0.86 -4.93 117.98 114.45 1psa s PHE 27 Ca 0.50 0.89 -0.05 0.00 0.12 0.00 0.00 56.93 58.38 1psa s PHE 27 Cb -0.23 0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1psa s PHE 27 CO 0.29 -0.29 0.01 0.95 -0.10 0.00 0.00 175.22 176.08 1psa s THR 28 N -0.30 4.26 0.06 0.64 -4.23 -1.26 -0.76 115.64 114.05 1psa s THR 28 Ca -0.04 -0.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.34 1psa s THR 28 Cb -0.03 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1psa s THR 28 CO 0.02 0.47 -0.26 0.68 -0.54 0.00 0.00 174.62 174.99 1psa s VAL 29 N 0.47 2.15 -0.07 2.29 -7.23 -0.47 -0.39 120.40 117.16 1psa s VAL 29 Ca -0.00 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1psa s VAL 29 Cb -0.14 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1psa s VAL 29 CO 0.02 0.32 1.01 -0.63 -0.31 0.00 0.00 175.10 175.50 1psa s ILE 30 N -0.85 4.78 -0.70 -0.62 -1.09 -0.70 -1.68 121.20 120.35 1psa s ILE 30 Ca 0.12 2.03 -0.26 0.00 -2.23 0.00 0.00 60.65 60.30 1psa s ILE 30 Cb -0.10 -4.30 0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1psa s ILE 30 CO 0.03 0.05 1.19 -0.36 -1.23 0.00 0.00 174.94 174.62 1psa s PHE 31 N 1.71 2.41 -0.43 3.97 0.40 -1.26 -0.43 117.98 124.36 1psa s PHE 31 Ca 0.50 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.59 1psa s PHE 31 Cb -0.19 -4.53 0.05 0.00 0.51 0.00 0.00 43.02 38.86 1psa s PHE 31 CO 0.21 -1.92 0.31 0.34 0.70 0.00 0.00 175.22 174.86 1psa s ASP 32 N 3.62 5.96 0.00 1.36 2.15 -0.70 -4.21 116.67 124.84 1psa s ASP 32 Ca 0.33 -1.18 0.03 0.00 0.43 0.00 0.00 52.55 52.16 1psa s ASP 32 Cb -0.10 -2.11 0.18 0.00 -0.30 0.00 0.00 42.92 40.59 1psa s ASP 32 CO 0.15 -0.52 0.84 0.35 -0.17 0.00 0.00 175.17 175.82 1psa n THR 33 N 5.10 0.00 -0.81 1.71 -2.24 -1.26 -1.16 114.28 115.62 1psa n THR 33 Ca -0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1psa n THR 33 Cb 0.45 -0.21 0.34 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.24 3.17 3.84 3.38 0.00 -1.26 -4.17 105.19 110.39 1psa n GLY 34 Ca 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.11 -0.02 0.00 1.61 1.04 -1.18 -5.00 113.70 109.04 1psa s SER 35 Ca 0.49 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1psa s SER 35 Cb 0.36 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.12 1psa s SER 35 CO 0.17 -1.26 0.73 -1.20 0.98 0.00 0.00 173.24 172.65 1psa n SER 36 N -1.20 0.94 -4.65 7.02 7.64 -1.26 -0.27 113.62 121.84 1psa n SER 36 Ca -0.05 -1.47 -0.33 0.00 1.01 0.00 0.00 58.87 58.03 1psa n SER 36 Cb 0.60 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.47 4.95 -0.19 6.43 -0.87 -1.26 -4.17 114.94 119.36 1psa s ASN 37 Ca 0.00 -0.05 -0.06 0.00 -1.57 0.00 0.00 52.86 51.18 1psa s ASN 37 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.25 39.94 1psa s ASN 37 CO 0.00 0.29 0.03 -0.22 -2.57 0.00 0.00 177.10 174.63 1psa s LEU 38 N -1.46 3.53 0.06 0.60 2.96 -1.26 0.09 118.68 123.20 1psa s LEU 38 Ca 0.18 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1psa s LEU 38 Cb -0.11 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1psa s LEU 38 CO 0.09 0.11 0.11 -1.66 -1.32 0.00 0.00 176.35 173.68 1psa s TRP 39 N 0.72 0.25 0.09 5.38 1.48 -0.94 -0.83 118.94 125.09 1psa s TRP 39 Ca 0.02 -0.65 0.01 0.00 -1.06 0.00 0.00 56.10 54.41 1psa s TRP 39 Cb -0.14 -0.16 -0.04 0.00 -1.16 0.00 0.00 33.47 31.97 1psa s TRP 39 CO 0.02 -0.45 -0.06 0.14 -4.06 0.00 0.00 176.95 172.55 1psa s VAL 40 N -3.43 0.59 1.06 -0.66 -7.23 -0.23 -2.95 120.40 107.55 1psa s VAL 40 Ca 0.02 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 1psa s VAL 40 Cb 0.04 -1.62 0.19 0.00 0.56 0.00 0.00 36.38 35.55 1psa s VAL 40 CO -0.08 -0.89 0.85 -2.65 -0.31 0.00 0.00 175.10 172.02 1psa n PRO 41 N 0.03 -1.41 -4.09 4.82 -0.02 -1.26 -2.04 135.00 131.03 1psa n PRO 41 Ca -0.13 -0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 60.86 1psa n PRO 41 Cb 0.61 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.36 0.45 0.00 2.55 1.04 -1.25 -0.17 113.70 113.96 1psa s SER 42 Ca 0.65 -1.29 0.17 0.00 0.48 0.00 0.00 55.95 55.96 1psa s SER 42 Cb -0.22 0.58 0.96 0.00 0.10 0.00 0.00 66.02 67.43 1psa s SER 42 CO 0.63 -1.14 1.42 1.33 0.98 0.00 0.00 173.24 176.46 1psa n VAL 43 N -0.45 0.13 0.17 5.02 0.24 -0.64 -1.64 118.33 121.16 1psa n VAL 43 Ca 0.01 0.03 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 1psa n VAL 43 Cb 0.63 -0.77 0.09 0.00 -1.47 0.00 0.00 33.84 32.32 1psa n VAL 43 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1psa h TYR 44 N 0.00 0.00 -3.27 6.34 0.05 -1.86 -3.45 116.97 114.78 1psa h TYR 44 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1psa h TYR 44 Cb 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1psa h TYR 44 CO 0.00 0.04 0.55 0.00 -1.05 0.00 0.00 178.16 177.70 1psa n SER 46 N 4.83 0.89 -4.57 0.00 3.41 -1.22 -4.82 113.62 112.13 1psa n SER 46 Ca 0.08 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.74 1psa n SER 46 Cb 0.49 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1psa n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1psa n SER 47 N -3.05 0.13 0.02 4.04 7.64 -1.26 -4.81 113.62 116.34 1psa n SER 47 Ca -0.17 0.71 -0.15 0.00 1.01 0.00 0.00 58.87 60.27 1psa n SER 47 Cb 1.05 -1.34 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 1psa n SER 47 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1psa h LEU 48 N 0.05 -1.59 -1.95 -3.43 5.85 -1.95 0.68 115.31 112.97 1psa h LEU 48 Ca -0.47 0.18 0.32 0.00 0.84 0.00 0.00 57.88 58.75 1psa h LEU 48 Cb 1.36 0.61 -0.04 0.00 0.37 0.00 0.00 40.66 42.95 1psa h LEU 48 CO 0.48 -0.47 0.83 0.00 -0.34 0.00 0.00 178.44 178.93 1psa h ALA 49 N -0.44 3.01 0.00 1.25 0.00 -1.83 0.12 119.26 121.38 1psa h ALA 49 Ca 0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1psa h ALA 49 Cb 0.66 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1psa h ALA 49 CO -0.37 -1.39 -0.50 0.00 0.00 0.00 0.00 179.25 176.99 1psa h SER 51 N 0.00 0.79 -0.56 0.00 4.64 -0.46 -3.22 113.55 114.73 1psa h SER 51 Ca -0.00 -0.38 -0.17 0.00 -0.47 0.00 0.00 61.79 60.76 1psa h SER 51 Cb 1.16 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 62.93 1psa h SER 51 CO 0.06 0.99 0.21 -0.90 -0.87 0.00 0.00 176.83 176.33 1psa n ASP 52 N -4.31 4.07 -4.11 4.97 5.75 -1.25 -4.86 116.55 116.81 1psa n ASP 52 Ca -0.02 -2.90 -0.14 0.00 -0.01 0.00 0.00 54.79 51.72 1psa n ASP 52 Cb 0.38 -0.69 -0.11 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.34 0.87 0.56 2.11 3.76 -1.22 -5.09 115.29 113.93 1psa s HIS 53 Ca 0.41 -0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 54.58 1psa s HIS 53 Cb 0.33 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 1psa s HIS 53 CO 0.10 -0.04 1.31 0.09 -0.85 0.00 0.00 174.74 175.35 1psa n ASN 54 N 1.24 2.40 -4.05 1.40 4.13 -1.26 -4.92 115.26 114.20 1psa n ASN 54 Ca -0.21 0.94 -0.25 0.00 1.68 0.00 0.00 54.58 56.74 1psa n ASN 54 Cb 0.55 -1.55 -0.17 0.00 -1.54 0.00 0.00 39.78 37.07 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 -2.92 1.83 0.06 3.52 -0.21 -1.26 -4.33 119.66 116.34 1psa s GLN 55 Ca 0.73 -0.47 -0.31 0.00 0.02 0.00 0.00 55.36 55.33 1psa s GLN 55 Cb -0.42 -1.50 -0.08 0.00 1.00 0.00 0.00 33.01 32.02 1psa s GLN 55 CO 0.48 0.06 1.57 0.12 -2.12 0.00 0.00 175.29 175.40 1psa s PHE 56 N 0.57 2.61 -0.39 0.91 5.36 0.76 -4.63 117.98 123.17 1psa s PHE 56 Ca -0.14 0.49 -0.09 0.00 -0.96 0.00 0.00 56.93 56.23 1psa s PHE 56 Cb -0.16 -3.87 0.06 0.00 -0.34 0.00 0.00 43.02 38.71 1psa s PHE 56 CO 0.04 -3.41 0.21 1.21 -1.46 0.00 0.00 175.22 171.81 1psa s ASN 57 N 2.14 5.58 0.47 6.13 3.84 -1.26 -1.62 114.94 130.21 1psa s ASN 57 Ca 0.71 -1.32 0.20 0.00 0.21 0.00 0.00 52.86 52.66 1psa s ASN 57 Cb -0.38 -1.97 1.19 0.00 -0.55 0.00 0.00 41.25 39.54 1psa s ASN 57 CO 0.31 -0.46 1.94 1.55 -2.79 0.00 0.00 177.10 177.65 1psa h PRO 58 N 8.37 0.25 0.00 0.43 0.13 -1.95 -2.78 132.00 136.44 1psa h PRO 58 Ca -0.23 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1psa h PRO 58 Cb 1.09 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1psa h PRO 58 CO 0.70 0.17 0.00 -0.44 -0.23 0.00 0.00 178.00 178.20 1psa h ASP 59 N 0.26 0.00 -0.49 1.44 3.32 -2.02 -1.70 116.42 117.23 1psa h ASP 59 Ca 0.34 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1psa h ASP 59 Cb 0.96 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1psa h ASP 59 CO -0.08 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.92 1psa n ASP 60 N -2.33 5.20 -4.16 6.45 9.92 -1.05 -4.89 116.55 125.69 1psa n ASP 60 Ca 0.01 -2.97 -0.29 0.00 -0.53 0.00 0.00 54.79 51.01 1psa n ASP 60 Cb 0.19 -0.65 -0.17 0.00 -0.64 0.00 0.00 41.12 39.85 1psa n ASP 60 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1psa s SER 61 N -1.13 2.59 0.11 -2.24 0.15 -0.64 -4.05 113.70 108.49 1psa s SER 61 Ca 0.51 -0.45 0.25 0.00 0.70 0.00 0.00 55.95 56.96 1psa s SER 61 Cb 0.40 -1.09 0.60 0.00 -1.71 0.00 0.00 66.02 64.22 1psa s SER 61 CO 0.14 0.13 1.53 -1.54 1.20 0.00 0.00 173.24 174.70 1psa n SER 62 N 3.51 0.61 -1.04 5.45 3.41 0.25 -3.96 113.62 121.85 1psa n SER 62 Ca -0.20 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.72 1psa n SER 62 Cb 0.53 -0.16 0.25 0.00 -0.26 0.00 0.00 64.21 64.56 1psa n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1psa n THR 63 N -1.98 1.43 -2.69 6.66 -2.24 -1.26 -5.01 114.28 109.19 1psa n THR 63 Ca 0.05 -1.20 -0.41 0.00 -2.27 0.00 0.00 64.05 60.22 1psa n THR 63 Cb 0.41 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.52 3.80 -0.09 4.78 5.36 -1.25 -4.32 117.98 124.73 1psa s PHE 64 Ca 0.38 1.78 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 1psa s PHE 64 Cb 0.23 -3.08 0.01 0.00 -0.34 0.00 0.00 43.02 39.84 1psa s PHE 64 CO 0.20 0.09 -0.17 -1.21 -1.46 0.00 0.00 175.22 172.67 1psa s GLU 65 N -0.26 2.29 0.63 10.12 2.02 -0.32 -4.97 118.70 128.21 1psa s GLU 65 Ca 0.46 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.80 1psa s GLU 65 Cb -0.25 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.16 1psa s GLU 65 CO 0.31 0.03 0.93 0.00 0.02 0.00 0.00 175.26 176.55 1psa s ALA 66 N 0.72 3.32 0.26 5.21 0.00 -1.26 -0.46 121.76 129.55 1psa s ALA 66 Ca -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1psa s ALA 66 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1psa s ALA 66 CO 0.03 -1.01 0.16 0.95 0.00 0.00 0.00 175.76 175.89 1psa s THR 67 N -3.06 0.14 -1.07 0.00 -4.23 -1.09 -4.82 115.64 101.51 1psa s THR 67 Ca 0.57 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.32 1psa s THR 67 Cb -0.11 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1psa s THR 67 CO 0.44 0.00 1.26 -1.20 -0.54 0.00 0.00 174.62 174.58 1psa n SER 68 N -0.69 0.72 -4.78 3.99 7.64 -1.26 -4.71 113.62 114.52 1psa n SER 68 Ca 0.03 -0.54 -0.37 0.00 1.01 0.00 0.00 58.87 59.00 1psa n SER 68 Cb 0.65 0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.96 4.42 0.29 1.43 -0.21 -1.26 -4.90 119.66 116.47 1psa s GLN 69 Ca 0.11 1.40 -0.03 0.00 0.02 0.00 0.00 55.36 56.86 1psa s GLN 69 Cb 0.17 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1psa s GLN 69 CO 0.74 0.11 0.52 -2.00 -2.12 0.00 0.00 175.29 172.55 1psa s GLU 70 N -2.26 3.57 -0.01 2.91 -6.30 -1.26 -0.76 118.70 114.59 1psa s GLU 70 Ca 0.53 -0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.85 1psa s GLU 70 Cb -0.20 -2.68 0.01 0.00 0.00 0.00 0.00 34.13 31.26 1psa s GLU 70 CO 0.25 0.22 -0.01 -1.17 0.02 0.00 0.00 175.26 174.58 1psa s LEU 71 N -3.74 1.79 -0.01 2.70 2.96 0.16 -4.81 118.68 117.73 1psa s LEU 71 Ca 0.42 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1psa s LEU 71 Cb -0.10 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.49 1psa s LEU 71 CO 0.32 -0.01 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.79 1psa s SER 72 N 0.23 0.16 -0.12 3.68 0.15 -1.26 -0.63 113.70 115.91 1psa s SER 72 Ca -0.02 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1psa s SER 72 Cb -0.04 -0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1psa s SER 72 CO -0.01 -0.04 0.18 -0.63 1.20 0.00 0.00 173.24 173.94 1psa s ILE 73 N 0.38 -0.28 -0.13 6.45 1.01 0.31 -4.92 121.20 124.04 1psa s ILE 73 Ca -0.03 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 1psa s ILE 73 Cb -0.05 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1psa s ILE 73 CO -0.01 0.05 0.22 -0.89 0.00 0.00 0.00 174.94 174.31 1psa s THR 74 N 2.30 5.36 0.45 2.92 2.01 -1.26 -1.48 115.64 125.93 1psa s THR 74 Ca 0.04 0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1psa s THR 74 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1psa s THR 74 CO -0.07 0.52 0.17 -0.31 -0.69 0.00 0.00 174.62 174.23 1psa s TYR 75 N -0.36 2.33 0.09 4.92 2.02 0.61 -4.97 117.35 121.99 1psa s TYR 75 Ca 0.15 -0.69 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 1psa s TYR 75 Cb -0.13 -1.88 -0.14 0.00 -0.40 0.00 0.00 41.96 39.41 1psa s TYR 75 CO 0.04 0.12 1.67 0.78 -1.57 0.00 0.00 175.55 176.59 1psa h GLY 76 N 1.34 -0.47 -7.37 0.71 0.00 -1.99 -3.34 103.07 91.96 1psa h GLY 76 Ca -0.42 0.21 -0.72 0.00 0.00 0.00 0.00 47.33 46.39 1psa h GLY 76 CO 0.70 -0.19 -0.41 -0.51 0.00 0.00 0.00 176.54 176.13 1psa s THR 77 N -6.11 4.44 0.00 4.70 -4.23 -1.26 -5.06 115.64 108.12 1psa s THR 77 Ca -0.15 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1psa s THR 77 Cb 0.06 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1psa s THR 77 CO 0.64 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1psa n GLY 78 N 4.98 0.76 3.78 3.99 0.00 -1.25 -5.06 105.19 112.39 1psa n GLY 78 Ca -0.10 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.06 0.15 1.61 1.04 -1.26 -0.28 113.70 114.89 1psa s SER 79 Ca 0.00 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.88 1psa s SER 79 Cb 0.00 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1psa s SER 79 CO 0.00 -0.64 0.50 0.00 0.98 0.00 0.00 173.24 174.08 1psa s MET 80 N -2.52 1.20 0.05 4.02 0.23 -0.55 -4.37 119.30 117.36 1psa s MET 80 Ca 0.18 -0.63 0.03 0.00 -1.03 0.00 0.00 55.69 54.24 1psa s MET 80 Cb 0.00 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 1psa s MET 80 CO 0.01 -0.50 -0.09 0.95 -2.03 0.00 0.00 175.02 173.35 1psa s THR 81 N -3.79 0.68 0.00 3.16 -4.23 -1.21 -0.53 115.64 109.72 1psa s THR 81 Ca 0.03 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1psa s THR 81 Cb 0.00 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1psa s THR 81 CO -0.11 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1psa n GLY 82 N 1.51 1.79 3.27 3.99 0.00 0.20 -0.59 105.19 115.36 1psa n GLY 82 Ca -0.22 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.71 1.67 0.28 -0.61 -1.16 -0.14 -0.67 121.20 117.86 1psa s ILE 83 Ca 0.00 -1.38 -0.07 0.00 -0.51 0.00 0.00 60.65 58.69 1psa s ILE 83 Cb 0.00 -1.49 -0.06 0.00 0.61 0.00 0.00 42.46 41.52 1psa s ILE 83 CO 0.00 0.06 0.57 -0.76 -2.81 0.00 0.00 174.94 172.00 1psa s LEU 84 N -1.57 4.07 0.23 8.50 1.02 0.06 -0.67 118.68 130.32 1psa s LEU 84 Ca 0.07 0.82 -0.17 0.00 0.02 0.00 0.00 54.13 54.87 1psa s LEU 84 Cb -0.09 -3.63 0.02 0.00 0.02 0.00 0.00 46.19 42.51 1psa s LEU 84 CO 0.03 -0.17 0.55 -0.83 0.02 0.00 0.00 176.35 175.95 1psa s GLY 85 N -2.89 0.10 0.07 -3.19 0.00 -0.31 -2.66 107.32 98.44 1psa s GLY 85 Ca 0.46 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.83 1psa s GLY 85 CO 0.27 -0.33 -0.22 -0.19 0.00 0.00 0.00 173.10 172.62 1psa s TYR 86 N -3.93 2.43 -0.04 1.90 1.51 0.39 -1.16 117.35 118.45 1psa s TYR 86 Ca 0.14 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 1psa s TYR 86 Cb -0.02 -1.39 0.11 0.00 -0.11 0.00 0.00 41.96 40.56 1psa s TYR 86 CO 0.03 0.24 1.33 0.34 -1.11 0.00 0.00 175.55 176.38 1psa s ASP 87 N -1.57 -0.01 -0.47 2.29 -1.08 -0.78 -1.18 116.67 113.87 1psa s ASP 87 Ca 0.14 -0.12 -0.24 0.00 -0.52 0.00 0.00 52.55 51.81 1psa s ASP 87 Cb -0.10 0.10 0.03 0.00 -1.46 0.00 0.00 42.92 41.49 1psa s ASP 87 CO 0.05 -0.20 0.88 -0.89 0.52 0.00 0.00 175.17 175.53 1psa s THR 88 N -2.12 4.52 -0.24 1.71 2.01 -1.26 -0.81 115.64 119.45 1psa s THR 88 Ca 0.23 0.54 -0.16 0.00 0.31 0.00 0.00 61.69 62.62 1psa s THR 88 Cb 0.03 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1psa s THR 88 CO -0.03 -0.84 0.42 -0.69 -0.69 0.00 0.00 174.62 172.78 1psa s VAL 89 N 3.62 5.16 -0.41 3.82 1.01 -0.73 -1.23 120.40 131.63 1psa s VAL 89 Ca 0.33 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 1psa s VAL 89 Cb -0.11 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1psa s VAL 89 CO 0.24 0.18 0.31 -1.10 0.00 0.00 0.00 175.10 174.73 1psa s GLN 90 N 1.82 3.00 -0.09 2.72 1.11 0.54 0.64 119.66 129.40 1psa s GLN 90 Ca 0.18 -0.98 0.02 0.00 0.01 0.00 0.00 55.36 54.59 1psa s GLN 90 Cb -0.15 -3.97 0.01 0.00 -1.01 0.00 0.00 33.01 27.89 1psa s GLN 90 CO 0.09 -0.75 -0.14 0.54 0.01 0.00 0.00 175.29 175.04 1psa s VAL 91 N 1.73 1.32 -1.44 1.09 0.11 -0.44 -1.50 120.40 121.27 1psa s VAL 91 Ca 0.06 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1psa s VAL 91 Cb -0.19 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1psa s VAL 91 CO 0.10 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1psa n GLY 92 N 4.05 -0.01 0.00 6.54 0.00 -1.26 -0.60 105.19 113.90 1psa n GLY 92 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.75 2.51 3.79 -0.02 0.00 -1.26 -1.29 105.19 108.17 1psa n GLY 93 Ca -0.18 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.63 4.21 -0.53 -0.61 1.01 0.23 -4.97 121.20 118.91 1psa s ILE 94 Ca 0.00 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.26 1psa s ILE 94 Cb 0.00 -3.87 0.14 0.00 0.01 0.00 0.00 42.46 38.74 1psa s ILE 94 CO 0.00 0.00 0.40 -0.44 0.00 0.00 0.00 174.94 174.90 1psa s SER 95 N -1.77 5.69 -1.13 3.58 0.01 -1.26 -1.32 113.70 117.49 1psa s SER 95 Ca 0.54 -2.20 -0.21 0.00 1.31 0.00 0.00 55.95 55.39 1psa s SER 95 Cb -0.16 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.10 1psa s SER 95 CO 0.21 -0.60 1.72 -0.62 0.41 0.00 0.00 173.24 174.36 1psa s ASP 96 N 2.15 6.14 0.54 2.44 2.15 0.21 -4.94 116.67 125.36 1psa s ASP 96 Ca 0.09 -1.73 -0.21 0.00 0.43 0.00 0.00 52.55 51.14 1psa s ASP 96 Cb -0.23 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.77 1psa s ASP 96 CO -0.03 -1.87 1.28 0.42 -0.17 0.00 0.00 175.17 174.80 1psa s THR 97 N 6.63 2.41 -0.85 1.71 -4.23 -1.26 -1.78 115.64 118.26 1psa s THR 97 Ca 0.57 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1psa s THR 97 Cb 0.00 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1psa s THR 97 CO 0.02 -0.02 0.62 -3.20 -0.54 0.00 0.00 174.62 171.50 1psa n ASN 98 N -1.06 -5.02 -4.42 3.99 5.15 -1.21 -4.90 115.26 107.80 1psa n ASN 98 Ca 0.11 -0.93 -0.33 0.00 -0.60 0.00 0.00 54.58 52.83 1psa n ASN 98 Cb 0.47 -1.96 -0.14 0.00 -0.53 0.00 0.00 39.78 37.62 1psa n ASN 98 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1psa s GLN 99 N -5.00 2.93 0.13 1.20 2.00 0.01 -4.83 119.66 116.10 1psa s GLN 99 Ca 0.04 -0.70 -0.22 0.00 -2.00 0.00 0.00 55.36 52.49 1psa s GLN 99 Cb -0.02 -2.49 -0.07 0.00 0.80 0.00 0.00 33.01 31.22 1psa s GLN 99 CO 0.89 0.41 0.67 -1.50 -0.50 0.00 0.00 175.29 175.26 1psa s ILE 100 N -0.18 4.57 0.21 -2.34 2.07 -1.26 -1.87 121.20 122.40 1psa s ILE 100 Ca -0.00 1.41 -0.22 0.00 -1.41 0.00 0.00 60.65 60.43 1psa s ILE 100 Cb -0.13 -3.99 0.05 0.00 0.13 0.00 0.00 42.46 38.51 1psa s ILE 100 CO 0.03 0.50 0.68 0.72 -1.91 0.00 0.00 174.94 174.97 1psa s PHE 101 N -1.17 -0.35 -0.16 3.50 -0.71 -0.31 -4.78 117.98 114.00 1psa s PHE 101 Ca 0.33 0.02 -0.13 0.00 -1.04 0.00 0.00 56.93 56.11 1psa s PHE 101 Cb -0.21 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1psa s PHE 101 CO 0.22 -1.03 0.27 0.20 -1.34 0.00 0.00 175.22 173.55 1psa s GLY 102 N -2.83 2.19 -0.41 1.99 0.00 -0.01 -1.16 107.32 107.09 1psa s GLY 102 Ca 0.06 -0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.14 1psa s GLY 102 CO -0.03 0.38 0.41 1.08 0.00 0.00 0.00 173.10 174.94 1psa s LEU 103 N 0.41 4.87 0.67 0.66 1.02 0.15 -1.06 118.68 125.39 1psa s LEU 103 Ca 0.16 -0.67 -0.12 0.00 0.02 0.00 0.00 54.13 53.51 1psa s LEU 103 Cb -0.13 -2.35 -0.00 0.00 0.02 0.00 0.00 46.19 43.73 1psa s LEU 103 CO 0.03 -0.54 1.06 -0.94 0.02 0.00 0.00 176.35 175.98 1psa s SER 104 N 1.78 5.51 0.00 2.29 1.04 -0.86 -0.96 113.70 122.50 1psa s SER 104 Ca 0.11 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1psa s SER 104 Cb -0.17 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1psa s SER 104 CO 0.13 -1.35 0.00 -0.62 0.98 0.00 0.00 173.24 172.37 1psa n GLU 105 N -2.86 2.18 -3.77 4.02 1.02 0.25 -3.26 120.64 118.21 1psa n GLU 105 Ca 0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1psa n GLU 105 Cb 0.53 -0.83 -0.10 0.00 -0.02 0.00 0.00 31.44 31.03 1psa n GLU 105 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1psa s THR 106 N -1.38 0.03 -0.39 2.62 -4.23 -1.16 -3.40 115.64 107.72 1psa s THR 106 Ca 0.00 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1psa s THR 106 Cb 0.00 -0.51 0.16 0.00 1.34 0.00 0.00 72.50 73.49 1psa s THR 106 CO 0.00 -0.14 0.34 -1.61 -0.54 0.00 0.00 174.62 172.68 1psa s GLU 107 N -0.56 0.75 0.05 3.99 2.02 -1.26 -3.32 118.70 120.36 1psa s GLU 107 Ca -0.07 -1.48 -0.29 0.00 0.02 0.00 0.00 54.97 53.15 1psa s GLU 107 Cb -0.04 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.06 1psa s GLU 107 CO 0.02 -1.28 0.93 -2.14 0.02 0.00 0.00 175.26 172.81 1psa s PRO 108 N 0.76 4.61 0.00 0.39 0.02 -1.26 -4.16 135.00 135.37 1psa s PRO 108 Ca 0.24 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1psa s PRO 108 Cb -0.09 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1psa s PRO 108 CO -0.08 0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.12 1psa n GLY 109 N 2.55 2.92 0.26 0.52 0.00 -1.26 -4.67 105.19 105.50 1psa n GLY 109 Ca 0.03 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.79 1psa n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1psa h SER 110 N 0.00 0.00 -0.51 1.61 4.64 -2.01 -3.12 113.55 114.16 1psa h SER 110 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1psa h SER 110 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1psa h SER 110 CO 0.00 0.00 -0.17 2.19 -0.87 0.00 0.00 176.83 177.98 1psa h PHE 111 N 0.00 1.15 0.00 4.77 -0.00 -1.99 -1.41 116.94 119.47 1psa h PHE 111 Ca 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.97 57.69 1psa h PHE 111 Cb 0.49 -0.28 -0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1psa h PHE 111 CO 0.00 1.09 -0.09 -0.07 -0.00 0.00 0.00 178.31 179.24 1psa h LEU 112 N 0.89 0.00 0.24 2.10 3.38 -1.88 -2.38 115.31 117.66 1psa h LEU 112 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1psa h LEU 112 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1psa h LEU 112 CO 0.06 0.09 -0.12 0.22 0.09 0.00 0.00 178.44 178.78 1psa h TYR 113 N 0.00 -0.30 0.00 1.13 3.20 -1.34 -2.54 116.97 117.11 1psa h TYR 113 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1psa h TYR 113 Cb 0.22 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1psa h TYR 113 CO 0.00 -0.14 0.00 0.66 -1.64 0.00 0.00 178.16 177.04 1psa n TYR 114 N -5.20 0.00 -3.09 -3.82 4.01 -0.98 -4.89 117.16 103.20 1psa n TYR 114 Ca -0.09 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.25 1psa n TYR 114 Cb 0.17 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1psa n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1psa s ALA 115 N -2.35 3.45 -0.60 -0.72 0.00 -0.93 -4.95 121.76 115.66 1psa s ALA 115 Ca 0.26 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1psa s ALA 115 Cb 0.15 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1psa s ALA 115 CO 0.31 0.20 0.31 -0.35 0.00 0.00 0.00 175.76 176.24 1psa n PRO 116 N 2.31 0.45 -3.91 0.00 -0.04 -1.26 -4.73 135.00 127.81 1psa n PRO 116 Ca -0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 1psa n PRO 116 Cb 0.50 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.38 0.20 -0.21 0.54 -0.71 -1.26 -4.97 117.98 111.20 1psa s PHE 117 Ca 0.00 -0.58 -0.17 0.00 -1.04 0.00 0.00 56.93 55.14 1psa s PHE 117 Cb 0.00 -0.13 -0.19 0.00 -1.21 0.00 0.00 43.02 41.49 1psa s PHE 117 CO 0.00 -0.45 0.13 -0.25 -1.34 0.00 0.00 175.22 173.31 1psa n ASP 118 N 0.34 1.93 -0.86 1.98 8.00 0.48 -5.01 116.55 123.41 1psa n ASP 118 Ca -0.17 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1psa n ASP 118 Cb 0.60 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.54 4.52 2.94 0.44 0.00 -0.53 -4.36 105.19 109.75 1psa n GLY 119 Ca -0.36 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.47 0.67 -0.39 -0.61 1.01 -1.15 -1.71 121.20 117.54 1psa s ILE 120 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1psa s ILE 120 Cb 0.00 -0.64 0.07 0.00 0.01 0.00 0.00 42.46 41.90 1psa s ILE 120 CO 0.00 0.24 0.21 -0.22 0.00 0.00 0.00 174.94 175.16 1psa s LEU 121 N 0.62 4.90 0.31 2.97 0.20 0.42 -2.21 118.68 125.90 1psa s LEU 121 Ca -0.09 -1.45 -0.28 0.00 0.69 0.00 0.00 54.13 53.00 1psa s LEU 121 Cb -0.12 -1.93 -0.09 0.00 -0.43 0.00 0.00 46.19 43.61 1psa s LEU 121 CO 0.01 -0.47 1.11 -0.83 -0.29 0.00 0.00 176.35 175.87 1psa s GLY 122 N 1.87 2.99 -0.13 7.98 0.00 0.11 -1.72 107.32 118.42 1psa s GLY 122 Ca 0.02 0.89 0.15 0.00 0.00 0.00 0.00 44.72 45.78 1psa s GLY 122 CO 0.02 1.46 1.16 1.04 0.00 0.00 0.00 173.10 176.78 1psa n LEU 123 N 0.85 2.08 0.00 0.66 4.77 0.21 -4.32 117.00 121.26 1psa n LEU 123 Ca 0.00 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 1psa n LEU 123 Cb 0.46 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1psa n LEU 123 CO 0.52 0.92 0.00 0.00 -1.33 0.00 0.00 177.39 177.50 1psa n ALA 124 N -0.93 0.00 -2.23 -1.18 0.00 0.63 -4.74 120.51 112.06 1psa n ALA 124 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1psa n ALA 124 Cb 0.73 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 2.12 3.41 0.59 0.00 1.51 -0.31 -4.82 117.35 119.85 1psa s TYR 125 Ca 0.00 1.07 0.28 0.00 -1.01 0.00 0.00 57.07 57.41 1psa s TYR 125 Cb 0.00 -2.43 1.64 0.00 -0.11 0.00 0.00 41.96 41.06 1psa s TYR 125 CO 0.00 0.08 2.09 -1.00 -1.11 0.00 0.00 175.55 175.62 1psa h PRO 126 N 2.02 0.00 -1.01 -1.71 0.13 -1.94 -2.77 132.00 126.72 1psa h PRO 126 Ca -0.47 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 1psa h PRO 126 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1psa h PRO 126 CO 0.66 0.00 0.63 0.66 -0.23 0.00 0.00 178.00 179.72 1psa h SER 127 N 0.00 0.90 -0.33 1.44 4.64 -1.90 -0.36 113.55 117.94 1psa h SER 127 Ca 0.09 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1psa h SER 127 Cb 0.51 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1psa h SER 127 CO -0.00 0.45 0.00 2.30 -0.87 0.00 0.00 176.83 178.71 1psa n ILE 128 N -4.65 0.44 -2.69 0.95 -5.35 -1.04 -4.91 119.36 102.10 1psa n ILE 128 Ca 0.20 -0.51 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 1psa n ILE 128 Cb 0.40 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 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 -1.26 7.30 0.21 7.28 0.15 -0.15 -4.62 113.70 122.60 1psa s SER 129 Ca 0.31 1.60 -0.31 0.00 0.70 0.00 0.00 55.95 58.25 1psa s SER 129 Cb 0.17 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 1psa s SER 129 CO 0.23 -0.37 1.53 0.00 1.20 0.00 0.00 173.24 175.84 1psa s ALA 130 N 1.57 3.73 -0.44 5.45 0.00 -1.26 -0.81 121.76 130.00 1psa s ALA 130 Ca 0.50 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1psa s ALA 130 Cb -0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1psa s ALA 130 CO 0.22 -0.80 0.00 0.43 0.00 0.00 0.00 175.76 175.61 1psa n SER 131 N 3.17 -5.61 -2.11 0.00 7.64 -1.26 -2.56 113.62 112.89 1psa n SER 131 Ca 0.11 0.10 -0.17 0.00 1.01 0.00 0.00 58.87 59.92 1psa n SER 131 Cb 0.39 -3.47 0.01 0.00 -1.01 0.00 0.00 64.21 60.13 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 0.32 -0.26 3.69 0.23 0.00 0.01 -4.97 105.19 104.22 1psa n GLY 132 Ca -0.04 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.92 3.57 -0.07 4.61 0.00 -1.06 -4.94 121.76 120.95 1psa s ALA 133 Ca 0.13 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 1psa s ALA 133 Cb -0.06 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1psa s ALA 133 CO 0.16 -0.83 2.00 2.41 0.00 0.00 0.00 175.76 179.50 1psa n THR 134 N 4.49 0.61 -1.76 0.00 -1.04 -1.26 -4.84 114.28 110.47 1psa n THR 134 Ca 0.13 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 1psa n THR 134 Cb 0.44 -2.19 0.05 0.00 -1.82 0.00 0.00 70.33 66.81 1psa n THR 134 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1psa s PRO 135 N 4.77 2.93 0.19 -2.82 0.02 -1.26 -4.69 135.00 134.14 1psa s PRO 135 Ca 0.93 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 64.02 1psa s PRO 135 Cb -0.52 -2.11 0.18 0.00 0.02 0.00 0.00 34.50 32.07 1psa s PRO 135 CO 0.44 -1.34 1.78 0.28 -0.33 0.00 0.00 177.00 177.83 1psa h VAL 136 N 1.12 0.91 -0.81 3.83 2.07 -1.81 -2.35 116.25 119.21 1psa h VAL 136 Ca -0.51 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1psa h VAL 136 Cb 1.31 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1psa h VAL 136 CO 0.56 0.09 0.52 0.15 0.02 0.00 0.00 177.57 178.91 1psa h PHE 137 N 0.49 0.98 0.17 1.57 3.57 -1.92 0.20 116.94 122.01 1psa h PHE 137 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1psa h PHE 137 Cb 0.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1psa h PHE 137 CO -0.12 0.58 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.94 1psa h ASP 138 N 1.03 -0.42 -0.57 0.41 5.19 -1.89 -0.36 116.42 119.80 1psa h ASP 138 Ca 0.32 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1psa h ASP 138 Cb -0.02 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1psa h ASP 138 CO -0.10 -0.24 0.35 -1.13 -3.12 0.00 0.00 179.24 174.99 1psa h ASN 139 N -0.35 0.70 0.20 6.45 -1.24 -0.79 0.21 115.58 120.75 1psa h ASN 139 Ca -0.00 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1psa h ASN 139 Cb 0.33 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1psa h ASN 139 CO -0.03 0.54 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.48 1psa h LEU 140 N 0.81 -0.23 -0.68 0.34 3.38 -0.59 -2.94 115.31 115.39 1psa h LEU 140 Ca 0.21 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1psa h LEU 140 Cb -0.03 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1psa h LEU 140 CO -0.04 0.00 0.45 -0.25 0.09 0.00 0.00 178.44 178.69 1psa h TRP 141 N -0.45 0.84 -0.07 1.13 2.91 -0.53 0.05 115.95 119.83 1psa h TRP 141 Ca -0.03 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1psa h TRP 141 Cb 0.35 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1psa h TRP 141 CO -0.01 0.52 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.43 1psa h ASP 142 N 0.91 0.09 -0.05 2.65 3.32 -1.00 0.43 116.42 122.76 1psa h ASP 142 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1psa h ASP 142 Cb -0.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1psa h ASP 142 CO -0.06 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1psa n GLN 143 N -4.41 1.91 -2.77 3.56 6.02 -0.97 -4.96 117.38 115.76 1psa n GLN 143 Ca -0.02 -1.33 -0.15 0.00 -0.01 0.00 0.00 57.00 55.49 1psa n GLN 143 Cb 0.17 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 29.99 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 1.24 -0.13 0.16 1.08 0.00 0.14 -4.91 105.19 102.77 1psa n GLY 144 Ca 0.17 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1psa n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1psa n LEU 145 N -2.82 0.69 -4.06 0.99 4.77 -0.14 -4.81 117.00 111.62 1psa n LEU 145 Ca -0.08 -0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 1psa n LEU 145 Cb 0.58 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1psa n LEU 145 CO 0.32 0.13 -0.42 0.68 -1.33 0.00 0.00 177.39 176.77 1psa s VAL 146 N -2.53 0.67 -0.05 4.08 -7.23 -1.26 -4.33 120.40 109.75 1psa s VAL 146 Ca 0.25 -0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1psa s VAL 146 Cb 0.20 -0.66 -0.23 0.00 0.56 0.00 0.00 36.38 36.25 1psa s VAL 146 CO 0.51 -0.15 1.03 0.77 -0.31 0.00 0.00 175.10 176.95 1psa h SER 147 N 5.00 0.23 -3.61 4.85 4.64 -1.88 -3.46 113.55 119.33 1psa h SER 147 Ca -0.34 -0.77 -0.67 0.00 -0.47 0.00 0.00 61.79 59.53 1psa h SER 147 Cb 1.19 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 63.05 1psa h SER 147 CO 0.44 0.97 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.55 1psa s GLN 148 N -3.14 2.42 -0.15 4.77 -0.21 -1.22 -5.03 119.66 117.09 1psa s GLN 148 Ca -0.16 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 1psa s GLN 148 Cb 0.01 -2.44 -0.10 0.00 1.00 0.00 0.00 33.01 31.49 1psa s GLN 148 CO 0.74 0.57 3.01 -3.47 -2.12 0.00 0.00 175.29 174.02 1psa n ASP 149 N 1.29 5.70 -3.92 5.90 2.03 -1.26 -4.34 116.55 121.95 1psa n ASP 149 Ca -0.15 -2.72 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 1psa n ASP 149 Cb 0.52 -1.29 -0.07 0.00 -0.72 0.00 0.00 41.12 39.56 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 -0.75 1.38 0.07 -2.67 0.05 -1.26 -0.98 118.68 114.50 1psa s LEU 150 Ca 0.52 -0.77 -0.02 0.00 0.05 0.00 0.00 54.13 53.90 1psa s LEU 150 Cb 0.28 0.98 -0.03 0.00 -2.05 0.00 0.00 46.19 45.37 1psa s LEU 150 CO -0.06 -0.77 0.01 0.72 -0.55 0.00 0.00 176.35 175.70 1psa s PHE 151 N -3.91 0.51 0.05 3.48 -0.71 -0.47 -1.16 117.98 115.78 1psa s PHE 151 Ca 0.10 -1.02 0.04 0.00 -1.04 0.00 0.00 56.93 55.00 1psa s PHE 151 Cb 0.05 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1psa s PHE 151 CO -0.07 -0.42 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.16 1psa s SER 152 N -2.93 1.29 -0.02 1.98 0.01 -0.24 -1.06 113.70 112.73 1psa s SER 152 Ca 0.09 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.86 1psa s SER 152 Cb 0.07 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1psa s SER 152 CO -0.09 -0.11 -0.20 -0.69 0.41 0.00 0.00 173.24 172.56 1psa s VAL 153 N -1.23 1.60 -0.09 3.43 1.01 -0.03 -1.20 120.40 123.89 1psa s VAL 153 Ca -0.05 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1psa s VAL 153 Cb -0.09 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1psa s VAL 153 CO 0.01 0.45 -0.16 -0.47 0.00 0.00 0.00 175.10 174.94 1psa s TYR 154 N -0.46 1.89 -0.19 5.22 5.04 -0.58 -2.50 117.35 125.75 1psa s TYR 154 Ca 0.08 -0.81 0.01 0.00 -2.44 0.00 0.00 57.07 53.91 1psa s TYR 154 Cb -0.08 -1.35 0.03 0.00 0.35 0.00 0.00 41.96 40.92 1psa s TYR 154 CO -0.01 -0.40 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.14 1psa s LEU 155 N 0.79 2.33 0.65 6.97 1.43 -1.26 -1.73 118.68 127.85 1psa s LEU 155 Ca -0.11 -0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 1psa s LEU 155 Cb -0.16 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1psa s LEU 155 CO 0.02 -0.08 1.13 -0.94 0.23 0.00 0.00 176.35 176.71 1psa s SER 156 N 1.32 5.09 0.31 2.29 1.04 -1.26 -4.38 113.70 118.11 1psa s SER 156 Ca 0.01 2.09 0.07 0.00 0.48 0.00 0.00 55.95 58.60 1psa s SER 156 Cb -0.15 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 1psa s SER 156 CO -0.10 -1.65 0.34 -0.44 0.98 0.00 0.00 173.24 172.38 1psa s SER 157 N -2.33 5.67 -1.26 7.02 0.01 -1.26 -4.73 113.70 116.83 1psa s SER 157 Ca 0.69 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 1psa s SER 157 Cb -0.23 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1psa s SER 157 CO 0.39 -0.30 0.05 0.59 0.41 0.00 0.00 173.24 174.39 1psa n ASN 158 N -1.43 -4.55 -2.32 2.44 3.02 -1.26 -3.01 115.26 108.15 1psa n ASN 158 Ca -0.03 -0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.28 1psa n ASN 158 Cb 0.59 -3.66 -0.02 0.00 -0.61 0.00 0.00 39.78 36.08 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 -0.90 -5.75 -4.87 6.41 9.92 -1.26 -4.95 116.55 115.16 1psa n ASP 159 Ca -0.17 0.05 -0.31 0.00 -0.53 0.00 0.00 54.79 53.84 1psa n ASP 159 Cb 0.63 -4.81 -0.03 0.00 -0.64 0.00 0.00 41.12 36.27 1psa n ASP 159 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1psa s ASP 160 N -2.11 6.51 1.18 -2.24 1.01 -1.16 -4.94 116.67 114.91 1psa s ASP 160 Ca 0.00 1.26 -0.14 0.00 0.71 0.00 0.00 52.55 54.37 1psa s ASP 160 Cb 0.00 -2.38 0.26 0.00 1.01 0.00 0.00 42.92 41.81 1psa s ASP 160 CO 0.00 -0.49 0.80 -1.20 0.21 0.00 0.00 175.17 174.48 1psa n SER 161 N -1.53 -1.94 0.00 0.27 7.64 -1.26 -4.57 113.62 112.23 1psa n SER 161 Ca 0.04 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1psa n SER 161 Cb 0.54 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1psa n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1psa n GLY 162 N 1.26 0.22 3.77 0.23 0.00 -1.26 -4.82 105.19 104.58 1psa n GLY 162 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.09 6.08 -0.05 1.61 0.01 -1.26 -4.76 113.70 113.23 1psa s SER 163 Ca 0.00 2.82 -0.26 0.00 1.31 0.00 0.00 55.95 59.81 1psa s SER 163 Cb 0.00 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1psa s SER 163 CO 0.00 -1.03 0.58 0.54 0.41 0.00 0.00 173.24 173.74 1psa s VAL 164 N -1.22 0.01 -0.19 3.43 0.11 -0.71 -1.01 120.40 120.83 1psa s VAL 164 Ca 0.59 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1psa s VAL 164 Cb -0.41 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1psa s VAL 164 CO 0.53 -0.07 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.45 1psa s VAL 165 N -1.11 3.05 -0.38 2.04 1.01 -0.49 -1.53 120.40 122.99 1psa s VAL 165 Ca -0.11 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1psa s VAL 165 Cb -0.02 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1psa s VAL 165 CO 0.08 0.47 0.19 -0.76 0.00 0.00 0.00 175.10 175.08 1psa s LEU 166 N 1.11 4.76 -0.41 3.92 1.43 -0.34 -1.02 118.68 128.13 1psa s LEU 166 Ca 0.01 -1.29 -0.23 0.00 -1.03 0.00 0.00 54.13 51.59 1psa s LEU 166 Cb -0.14 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1psa s LEU 166 CO -0.02 -0.43 0.80 -0.76 0.23 0.00 0.00 176.35 176.16 1psa s LEU 167 N 1.43 4.17 0.00 1.79 1.43 0.02 -1.08 118.68 126.44 1psa s LEU 167 Ca 0.01 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1psa s LEU 167 Cb -0.21 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1psa s LEU 167 CO 0.03 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1psa n GLY 168 N 4.75 0.75 3.59 -3.19 0.00 -0.31 -0.90 105.19 109.88 1psa n GLY 168 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 1psa n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1psa s GLY 169 N -2.77 -0.23 0.07 -0.02 0.00 -1.24 -3.46 107.32 99.67 1psa s GLY 169 Ca 0.00 1.90 0.04 0.00 0.00 0.00 0.00 44.72 46.66 1psa s GLY 169 CO 0.00 0.77 -0.00 -0.26 0.00 0.00 0.00 173.10 173.60 1psa s ILE 170 N -1.85 4.04 -0.29 0.90 -4.36 -1.26 -3.96 121.20 114.41 1psa s ILE 170 Ca 0.06 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 59.56 1psa s ILE 170 Cb -0.01 -2.89 0.08 0.00 1.25 0.00 0.00 42.46 40.89 1psa s ILE 170 CO -0.04 0.18 0.01 -0.62 0.24 0.00 0.00 174.94 174.71 1psa s ASP 171 N -2.12 4.21 0.28 4.36 -1.08 -1.26 -5.01 116.67 116.05 1psa s ASP 171 Ca 0.24 -1.59 0.01 0.00 -0.52 0.00 0.00 52.55 50.69 1psa s ASP 171 Cb -0.12 -1.27 0.68 0.00 -1.46 0.00 0.00 42.92 40.75 1psa s ASP 171 CO 0.16 -0.32 1.65 0.77 0.52 0.00 0.00 175.17 177.95 1psa h SER 172 N 7.87 -0.03 0.00 -0.34 4.64 -1.99 -2.50 113.55 121.20 1psa h SER 172 Ca -0.13 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1psa h SER 172 Cb 1.04 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1psa h SER 172 CO 0.46 -0.15 0.08 -1.20 -0.87 0.00 0.00 176.83 175.14 1psa n SER 173 N -5.24 0.14 -0.12 4.97 7.64 -1.26 -2.21 113.62 117.55 1psa n SER 173 Ca 0.20 0.51 0.11 0.00 1.01 0.00 0.00 58.87 60.71 1psa n SER 173 Cb 0.66 -0.52 0.09 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.65 0.00 -4.39 1.43 4.01 -0.94 -4.78 117.16 110.83 1psa n TYR 174 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1psa n TYR 174 Cb 0.09 -0.10 -0.10 0.00 -0.31 0.00 0.00 39.34 38.92 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 -2.84 1.83 -0.21 -0.72 1.13 -0.94 -0.79 117.35 114.82 1psa s TYR 175 Ca 0.13 -0.68 -0.10 0.00 -1.41 0.00 0.00 57.07 55.01 1psa s TYR 175 Cb 0.17 -0.99 -0.05 0.00 -1.10 0.00 0.00 41.96 40.00 1psa s TYR 175 CO 0.71 0.27 0.13 0.99 -2.51 0.00 0.00 175.55 175.14 1psa s THR 176 N -3.05 5.32 0.00 -3.49 2.01 0.97 -4.40 115.64 113.00 1psa s THR 176 Ca 0.27 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1psa s THR 176 Cb 0.03 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1psa s THR 176 CO 0.10 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1psa n GLY 177 N 3.67 0.22 3.18 4.40 0.00 -1.26 -3.85 105.19 111.54 1psa n GLY 177 Ca -0.16 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 1psa n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1psa s SER 178 N -4.00 1.59 0.32 1.61 1.04 -1.26 -5.07 113.70 107.93 1psa s SER 178 Ca 0.00 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.44 1psa s SER 178 Cb 0.00 -0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.99 1psa s SER 178 CO 0.00 -0.16 1.35 -0.76 0.98 0.00 0.00 173.24 174.65 1psa s LEU 179 N -2.07 4.41 -0.23 2.42 1.43 -1.26 -4.80 118.68 118.57 1psa s LEU 179 Ca 0.02 2.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.77 1psa s LEU 179 Cb -0.07 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1psa s LEU 179 CO 0.02 -0.60 0.07 0.20 0.23 0.00 0.00 176.35 176.26 1psa s ASN 180 N -0.30 5.31 -0.37 2.29 0.02 -0.28 -4.92 114.94 116.70 1psa s ASN 180 Ca 0.51 -0.11 -0.14 0.00 -1.02 0.00 0.00 52.86 52.10 1psa s ASN 180 Cb -0.41 -1.94 -0.00 0.00 0.02 0.00 0.00 41.25 38.92 1psa s ASN 180 CO 0.53 0.03 0.30 0.26 0.02 0.00 0.00 177.10 178.24 1psa s TRP 181 N 1.21 3.22 -0.14 2.20 0.52 -1.26 -0.63 118.94 124.07 1psa s TRP 181 Ca 0.05 -0.32 -0.17 0.00 0.02 0.00 0.00 56.10 55.67 1psa s TRP 181 Cb -0.14 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 1psa s TRP 181 CO 0.03 -0.48 0.44 0.08 0.02 0.00 0.00 176.95 177.05 1psa s VAL 182 N 1.79 5.20 0.30 4.03 1.01 0.20 -4.92 120.40 128.02 1psa s VAL 182 Ca 0.07 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 1psa s VAL 182 Cb -0.18 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.31 1psa s VAL 182 CO 0.11 0.32 1.48 -2.16 0.00 0.00 0.00 175.10 174.84 1psa s PRO 183 N 0.72 4.20 0.26 2.72 0.04 -1.26 -0.31 135.00 141.38 1psa s PRO 183 Ca 0.24 2.43 -0.31 0.00 0.04 0.00 0.00 61.00 63.40 1psa s PRO 183 Cb -0.15 -3.05 -0.12 0.00 0.04 0.00 0.00 34.50 31.22 1psa s PRO 183 CO 0.09 -0.47 1.61 0.28 0.04 0.00 0.00 177.00 178.55 1psa n VAL 184 N 1.69 0.74 -0.05 -0.36 0.31 -0.33 -4.66 118.33 115.67 1psa n VAL 184 Ca 0.05 -0.19 -0.06 0.00 -0.01 0.00 0.00 64.34 64.13 1psa n VAL 184 Cb 0.39 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 1psa n VAL 184 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1psa h SER 185 N 5.24 -0.02 -4.06 4.52 4.64 -0.69 -3.45 113.55 119.74 1psa h SER 185 Ca -0.46 -0.42 -0.68 0.00 -0.47 0.00 0.00 61.79 59.76 1psa h SER 185 Cb 1.22 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.01 1psa h SER 185 CO 0.83 0.68 -0.88 -0.69 -0.87 0.00 0.00 176.83 175.90 1psa s VAL 186 N -1.94 2.01 -0.49 0.95 1.01 -1.26 -5.08 120.40 115.61 1psa s VAL 186 Ca -0.08 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.67 1psa s VAL 186 Cb -0.01 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.73 1psa s VAL 186 CO 0.30 0.56 0.54 -1.61 0.00 0.00 0.00 175.10 174.89 1psa s GLU 187 N -0.19 3.08 0.00 2.72 2.02 -1.26 -4.01 118.70 121.06 1psa s GLU 187 Ca -0.02 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1psa s GLU 187 Cb -0.13 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 30.00 1psa s GLU 187 CO 0.03 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1psa n GLY 188 N 5.17 -1.70 3.80 -1.39 0.00 -1.26 -4.86 105.19 104.95 1psa n GLY 188 Ca -0.08 0.43 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 1psa n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1psa n TYR 189 N -2.18 -3.38 -3.00 1.61 4.01 -1.26 -1.17 117.16 111.79 1psa n TYR 189 Ca 0.00 -1.49 -0.44 0.00 -0.16 0.00 0.00 57.90 55.81 1psa n TYR 189 Cb 0.00 -0.84 -0.00 0.00 -0.31 0.00 0.00 39.34 38.19 1psa n TYR 189 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1psa s TRP 190 N -3.37 3.57 -0.16 -0.72 0.52 -1.26 -4.82 118.94 112.70 1psa s TRP 190 Ca 0.69 -2.15 -0.16 0.00 0.02 0.00 0.00 56.10 54.50 1psa s TRP 190 Cb -0.03 -4.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.00 1psa s TRP 190 CO 0.47 -1.35 0.38 -1.14 0.02 0.00 0.00 176.95 175.33 1psa s GLN 191 N 1.31 4.25 0.22 4.98 0.74 -1.26 -1.63 119.66 128.28 1psa s GLN 191 Ca 0.40 0.22 0.02 0.00 0.05 0.00 0.00 55.36 56.06 1psa s GLN 191 Cb -0.04 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 1psa s GLN 191 CO -0.02 0.12 0.02 0.96 -0.55 0.00 0.00 175.29 175.83 1psa s ILE 192 N 0.80 0.79 -0.26 -2.34 -5.25 -0.10 0.07 121.20 114.92 1psa s ILE 192 Ca 0.20 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.73 1psa s ILE 192 Cb -0.14 -2.34 -0.05 0.00 2.95 0.00 0.00 42.46 42.88 1psa s ILE 192 CO 0.07 -0.29 0.24 -0.89 -1.79 0.00 0.00 174.94 172.27 1psa s THR 193 N -3.59 5.29 -0.44 8.37 2.01 -1.26 -1.73 115.64 124.28 1psa s THR 193 Ca 0.29 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.40 1psa s THR 193 Cb 0.06 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1psa s THR 193 CO 0.08 0.26 0.58 -0.22 -0.69 0.00 0.00 174.62 174.63 1psa s LEU 194 N 1.55 4.68 0.16 4.42 0.20 -0.03 -4.09 118.68 125.56 1psa s LEU 194 Ca 0.10 -0.52 -0.11 0.00 0.69 0.00 0.00 54.13 54.29 1psa s LEU 194 Cb -0.15 -2.58 0.04 0.00 -0.43 0.00 0.00 46.19 43.07 1psa s LEU 194 CO 0.08 -0.73 1.63 0.44 -0.29 0.00 0.00 176.35 177.48 1psa h ASP 195 N 8.85 0.93 -4.39 3.68 3.32 -1.51 0.38 116.42 127.67 1psa h ASP 195 Ca -0.26 -0.29 0.15 0.00 0.02 0.00 0.00 57.03 56.65 1psa h ASP 195 Cb 1.10 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.22 1psa h ASP 195 CO 0.87 0.99 0.61 -0.94 -1.72 0.00 0.00 179.24 179.05 1psa s SER 196 N -6.41 -0.29 -0.30 6.45 1.04 -1.22 -1.85 113.70 111.13 1psa s SER 196 Ca -0.12 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1psa s SER 196 Cb 0.12 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1psa s SER 196 CO 0.83 -0.44 -0.03 -0.63 0.98 0.00 0.00 173.24 173.95 1psa s ILE 197 N -2.52 2.32 0.51 -1.02 1.01 -0.47 -2.13 121.20 118.90 1psa s ILE 197 Ca 0.05 -1.87 0.07 0.00 0.00 0.00 0.00 60.65 58.90 1psa s ILE 197 Cb -0.01 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1psa s ILE 197 CO -0.06 -0.25 0.49 0.42 0.00 0.00 0.00 174.94 175.53 1psa s THR 198 N 1.05 2.12 -0.30 2.92 -4.23 -0.60 0.41 115.64 117.01 1psa s THR 198 Ca -0.01 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1psa s THR 198 Cb -0.20 -2.44 0.18 0.00 1.34 0.00 0.00 72.50 71.38 1psa s THR 198 CO -0.06 0.00 0.65 -0.32 -0.54 0.00 0.00 174.62 174.35 1psa s MET 199 N -4.32 0.54 -0.85 3.99 0.00 0.27 -1.36 119.30 117.57 1psa s MET 199 Ca 0.45 1.05 -0.04 0.00 0.00 0.00 0.00 55.69 57.15 1psa s MET 199 Cb -0.03 0.60 -0.01 0.00 0.00 0.00 0.00 34.83 35.38 1psa s MET 199 CO 0.28 -0.50 0.72 -0.25 0.00 0.00 0.00 175.02 175.26 1psa n ASP 200 N 5.43 -6.73 0.00 1.11 8.00 -1.26 -2.80 116.55 120.29 1psa n ASP 200 Ca -0.04 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1psa n ASP 200 Cb 0.51 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 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 -1.67 1.09 3.78 0.44 0.00 -1.26 -4.94 105.19 102.63 1psa n GLY 201 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1psa n GLY 201 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1psa s GLU 202 N 0.00 4.10 -0.32 1.61 -1.05 -1.12 -5.01 118.70 116.91 1psa s GLU 202 Ca 0.00 0.35 -0.28 0.00 -0.15 0.00 0.00 54.97 54.89 1psa s GLU 202 Cb 0.00 -3.33 -0.05 0.00 -0.44 0.00 0.00 34.13 30.32 1psa s GLU 202 CO 0.00 0.44 2.17 0.99 0.95 0.00 0.00 175.26 179.81 1psa s THR 203 N -0.26 3.11 -0.49 1.83 2.01 -1.26 -0.57 115.64 120.01 1psa s THR 203 Ca 0.23 0.10 0.24 0.00 0.31 0.00 0.00 61.69 62.57 1psa s THR 203 Cb -0.15 -3.18 0.10 0.00 0.01 0.00 0.00 72.50 69.28 1psa s THR 203 CO 0.10 -0.13 1.32 0.16 -0.69 0.00 0.00 174.62 175.38 1psa h ILE 204 N 7.20 0.00 -2.04 1.82 3.07 -0.32 -3.48 117.51 123.77 1psa h ILE 204 Ca -0.35 -0.73 0.04 0.00 1.55 0.00 0.00 64.86 65.38 1psa h ILE 204 Cb 1.23 1.39 -0.19 0.00 -0.27 0.00 0.00 36.82 38.98 1psa h ILE 204 CO 1.03 0.00 0.41 0.00 -1.05 0.00 0.00 178.15 178.54 1psa s ALA 205 N -3.23 -1.82 -0.70 0.16 0.00 -0.72 -4.84 121.76 110.60 1psa s ALA 205 Ca 0.05 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1psa s ALA 205 Cb 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1psa s ALA 205 CO 0.72 -0.48 0.66 0.00 0.00 0.00 0.00 175.76 176.65 1psa s SER 207 N -2.83 6.78 -0.02 0.00 0.01 -1.26 -3.69 113.70 112.69 1psa s SER 207 Ca 0.06 0.94 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 1psa s SER 207 Cb -0.01 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1psa s SER 207 CO 0.80 -0.06 0.01 0.61 0.41 0.00 0.00 173.24 175.01 1psa n GLY 208 N 3.26 0.65 0.08 3.44 0.00 -1.24 -4.87 105.19 106.52 1psa n GLY 208 Ca -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.76 -2.69 3.43 -0.02 0.00 -0.77 -5.04 105.19 99.34 1psa n GLY 209 Ca -0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.58 4.42 0.12 0.00 -1.52 -1.26 -0.86 119.66 116.98 1psa s GLN 211 Ca 0.01 0.89 0.06 0.00 -1.95 0.00 0.00 55.36 54.37 1psa s GLN 211 Cb -0.01 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 1psa s GLN 211 CO -0.12 0.22 -0.16 0.00 -0.25 0.00 0.00 175.29 174.99 1psa s ALA 212 N 0.24 1.57 0.13 6.09 0.00 -0.71 -0.80 121.76 128.28 1psa s ALA 212 Ca 0.36 -1.27 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1psa s ALA 212 Cb -0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1psa s ALA 212 CO 0.19 0.17 -0.22 0.96 0.00 0.00 0.00 175.76 176.86 1psa s ILE 213 N -1.87 1.93 -0.35 0.00 -4.36 0.31 -0.93 121.20 115.93 1psa s ILE 213 Ca 0.08 -1.70 -0.18 0.00 -0.26 0.00 0.00 60.65 58.60 1psa s ILE 213 Cb -0.06 -1.76 -0.00 0.00 1.25 0.00 0.00 42.46 41.88 1psa s ILE 213 CO 0.04 -0.06 0.49 -0.69 0.24 0.00 0.00 174.94 174.96 1psa s VAL 214 N -1.30 5.04 -0.30 8.37 1.01 -0.64 -0.17 120.40 132.40 1psa s VAL 214 Ca 0.11 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1psa s VAL 214 Cb -0.09 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.43 1psa s VAL 214 CO 0.06 -0.22 0.10 -0.62 0.00 0.00 0.00 175.10 174.42 1psa s ASP 215 N 1.76 3.89 0.54 3.32 2.15 -0.35 -4.62 116.67 123.37 1psa s ASP 215 Ca 0.18 -1.54 0.24 0.00 0.43 0.00 0.00 52.55 51.86 1psa s ASP 215 Cb -0.16 -0.76 1.40 0.00 -0.30 0.00 0.00 42.92 43.11 1psa s ASP 215 CO 0.13 -0.42 2.02 0.71 -0.17 0.00 0.00 175.17 177.45 1psa h THR 216 N 6.48 0.74 -0.24 1.71 1.35 -1.84 -1.27 112.91 119.82 1psa h THR 216 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1psa h THR 216 Cb 1.02 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1psa h THR 216 CO 0.46 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1psa n GLY 217 N -1.61 1.28 3.13 5.82 0.00 -1.26 -4.63 105.19 107.93 1psa n GLY 217 Ca 0.07 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.65 2.04 0.02 2.61 2.01 -0.48 -5.05 115.64 115.15 1psa s THR 218 Ca 0.20 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 1psa s THR 218 Cb 0.13 -1.83 -0.16 0.00 0.01 0.00 0.00 72.50 70.65 1psa s THR 218 CO 0.09 0.54 1.36 0.28 -0.69 0.00 0.00 174.62 176.19 1psa h SER 219 N 7.75 0.22 -0.80 3.53 0.02 -1.83 0.48 113.55 122.92 1psa h SER 219 Ca -0.42 -0.44 -0.49 0.00 -0.84 0.00 0.00 61.79 59.61 1psa h SER 219 Cb 1.16 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.66 1psa h SER 219 CO 0.61 0.61 -0.11 -0.76 -1.14 0.00 0.00 176.83 176.03 1psa s LEU 220 N -9.25 3.10 -0.25 5.07 1.43 -1.26 -2.52 118.68 114.99 1psa s LEU 220 Ca -0.15 -0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 1psa s LEU 220 Cb 0.04 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1psa s LEU 220 CO 0.72 -1.31 0.62 -0.22 0.23 0.00 0.00 176.35 176.38 1psa s LEU 221 N -4.64 4.06 0.18 1.79 0.20 -0.57 -3.21 118.68 116.49 1psa s LEU 221 Ca 0.60 0.69 0.06 0.00 0.69 0.00 0.00 54.13 56.18 1psa s LEU 221 Cb -0.06 -2.83 -0.04 0.00 -0.43 0.00 0.00 46.19 42.83 1psa s LEU 221 CO 0.38 -0.35 0.08 -0.89 -0.29 0.00 0.00 176.35 175.27 1psa s THR 222 N 2.45 4.12 0.16 3.68 2.01 -0.02 -1.85 115.64 126.19 1psa s THR 222 Ca 0.26 -1.28 -0.25 0.00 0.31 0.00 0.00 61.69 60.73 1psa s THR 222 Cb -0.16 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1psa s THR 222 CO 0.09 -0.14 0.94 -0.83 -0.69 0.00 0.00 174.62 173.99 1psa s GLY 223 N -3.11 -0.22 0.24 4.40 0.00 -1.12 -0.63 107.32 106.88 1psa s GLY 223 Ca 0.30 0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.79 1psa s GLY 223 CO 0.21 -0.00 1.51 -1.55 0.00 0.00 0.00 173.10 173.27 1psa n PRO 224 N -0.47 2.29 -0.36 2.90 -0.04 -1.22 -0.04 135.00 138.06 1psa n PRO 224 Ca -0.06 0.82 -0.11 0.00 -0.04 0.00 0.00 63.50 64.11 1psa n PRO 224 Cb 0.61 -2.54 -0.09 0.00 -0.04 0.00 0.00 33.50 31.43 1psa n PRO 224 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1psa h THR 225 N 3.28 0.00 -0.82 0.52 2.02 -1.79 0.15 112.91 116.27 1psa h THR 225 Ca -0.45 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.88 1psa h THR 225 Cb 1.25 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1psa h THR 225 CO 0.80 0.00 0.54 0.77 0.37 0.00 0.00 175.52 178.00 1psa h SER 226 N -0.05 0.50 -0.01 4.18 4.64 -1.96 -0.04 113.55 120.81 1psa h SER 226 Ca 0.14 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1psa h SER 226 Cb 0.41 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1psa h SER 226 CO -0.83 0.25 -0.06 0.00 -0.87 0.00 0.00 176.83 175.31 1psa h ALA 227 N 1.62 0.02 -0.78 5.18 0.00 -1.09 -3.23 119.26 120.99 1psa h ALA 227 Ca 0.41 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1psa h ALA 227 Cb 0.82 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1psa h ALA 227 CO -0.16 -0.09 0.51 0.82 0.00 0.00 0.00 179.25 180.34 1psa h ILE 228 N -0.60 1.13 -0.63 0.00 1.08 -0.99 -1.35 117.51 116.16 1psa h ILE 228 Ca -0.01 -0.33 0.12 0.00 -0.39 0.00 0.00 64.86 64.26 1psa h ILE 228 Cb 0.75 0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.49 1psa h ILE 228 CO 0.01 0.18 0.11 0.00 -0.69 0.00 0.00 178.15 177.76 1psa h ALA 229 N 1.54 0.73 -0.42 1.87 0.00 -1.05 0.85 119.26 122.78 1psa h ALA 229 Ca 0.31 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1psa h ALA 229 Cb 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1psa h ALA 229 CO -0.09 -0.33 -0.07 -0.91 0.00 0.00 0.00 179.25 177.85 1psa h ASN 230 N 0.23 0.78 -0.77 0.00 2.35 -1.27 -2.39 115.58 114.51 1psa h ASN 230 Ca 0.33 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1psa h ASN 230 Cb 0.52 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1psa h ASN 230 CO -0.45 0.95 0.46 0.40 -1.65 0.00 0.00 177.43 177.14 1psa h ILE 231 N 0.61 1.22 -0.88 2.81 2.04 -0.69 -0.43 117.51 122.19 1psa h ILE 231 Ca 0.11 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1psa h ILE 231 Cb 0.58 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1psa h ILE 231 CO 0.03 0.23 0.55 1.56 0.00 0.00 0.00 178.15 180.52 1psa h GLN 232 N 1.05 0.98 -0.03 2.37 1.08 -0.67 0.12 115.11 120.02 1psa h GLN 232 Ca 0.28 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1psa h GLN 232 Cb -0.04 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.17 1psa h GLN 232 CO -0.05 0.65 0.01 0.77 -0.95 0.00 0.00 178.83 179.26 1psa h SER 233 N 1.01 0.04 0.47 1.46 0.02 -0.89 0.17 113.55 115.83 1psa h SER 233 Ca 0.38 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1psa h SER 233 Cb 0.14 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1psa h SER 233 CO -0.16 0.22 0.00 0.44 -1.14 0.00 0.00 176.83 176.19 1psa h ASP 234 N -0.15 0.00 0.00 3.07 3.32 0.83 -1.22 116.42 122.27 1psa h ASP 234 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1psa h ASP 234 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1psa h ASP 234 CO -0.00 0.00 -1.58 2.30 -1.72 0.00 0.00 179.24 178.24 1psa n ILE 235 N -2.58 0.00 0.00 0.35 -5.35 -0.18 -5.05 119.36 106.55 1psa n ILE 235 Ca -0.00 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1psa n ILE 235 Cb 0.17 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 1.55 0.60 3.75 3.28 0.00 0.55 -5.05 105.19 109.87 1psa n GLY 236 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.41 0.04 4.61 0.00 -0.90 -4.83 121.76 122.10 1psa s ALA 237 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1psa s ALA 237 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1psa s ALA 237 CO 0.00 -0.24 -0.10 -1.54 0.00 0.00 0.00 175.76 173.88 1psa s SER 238 N -0.45 1.20 0.46 0.00 1.04 -0.29 -4.66 113.70 111.01 1psa s SER 238 Ca 0.48 -0.50 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 1psa s SER 238 Cb -0.32 -0.03 -0.08 0.00 0.10 0.00 0.00 66.02 65.70 1psa s SER 238 CO 0.39 -0.09 1.08 -0.70 0.98 0.00 0.00 173.24 174.90 1psa s GLU 239 N -1.37 3.84 0.00 4.02 2.12 -1.26 -0.06 118.70 125.99 1psa s GLU 239 Ca -0.04 1.53 0.00 0.00 0.36 0.00 0.00 54.97 56.82 1psa s GLU 239 Cb -0.09 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1psa s GLU 239 CO 0.01 -0.43 0.00 -1.71 -0.54 0.00 0.00 175.26 172.59 1psa n ASN 240 N -0.64 0.00 -3.71 -1.70 2.85 0.15 -4.89 115.26 107.32 1psa n ASN 240 Ca 0.08 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.44 1psa n ASN 240 Cb 0.50 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.42 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 0.55 -0.49 -0.94 1.20 0.01 -1.26 -4.87 113.70 107.91 1psa s SER 241 Ca 0.00 0.86 -0.11 0.00 1.31 0.00 0.00 55.95 58.02 1psa s SER 241 Cb 0.00 0.77 0.01 0.00 0.21 0.00 0.00 66.02 67.01 1psa s SER 241 CO 0.00 -0.18 0.66 -0.67 0.41 0.00 0.00 173.24 173.46 1psa n ASP 242 N 3.92 -5.14 0.00 2.44 -0.08 -1.26 -3.82 116.55 112.61 1psa n ASP 242 Ca -0.21 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.13 1psa n ASP 242 Cb 0.56 -2.37 0.00 0.00 2.34 0.00 0.00 41.12 41.64 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 -1.77 2.20 3.61 0.27 0.00 -1.26 -4.87 105.19 103.37 1psa n GLY 243 Ca -0.20 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 1psa n GLY 243 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psa n GLU 244 N 7.26 -1.36 -2.91 1.61 2.13 -1.25 -2.04 120.64 124.07 1psa n GLU 244 Ca 0.00 0.87 -0.44 0.00 0.66 0.00 0.00 57.16 58.25 1psa n GLU 244 Cb 0.00 -3.42 -0.03 0.00 0.27 0.00 0.00 31.44 28.27 1psa n GLU 244 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1psa s MET 245 N -4.72 3.48 0.10 5.31 -1.94 -1.26 0.29 119.30 120.56 1psa s MET 245 Ca 0.09 -1.54 -0.05 0.00 -1.71 0.00 0.00 55.69 52.48 1psa s MET 245 Cb -0.04 -4.76 -0.05 0.00 2.01 0.00 0.00 34.83 31.99 1psa s MET 245 CO 0.86 -1.78 0.33 0.54 -0.01 0.00 0.00 175.02 174.96 1psa s VAL 246 N 3.02 5.22 0.07 -6.03 0.11 0.91 -0.76 120.40 122.93 1psa s VAL 246 Ca 0.30 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 1psa s VAL 246 Cb -0.08 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1psa s VAL 246 CO -0.05 0.14 -0.14 -0.51 -3.33 0.00 0.00 175.10 171.22 1psa s ILE 247 N -1.54 1.08 0.08 7.04 2.07 0.01 -1.13 121.20 128.81 1psa s ILE 247 Ca 0.37 -1.29 -0.31 0.00 -1.41 0.00 0.00 60.65 58.01 1psa s ILE 247 Cb -0.13 -1.04 -0.08 0.00 0.13 0.00 0.00 42.46 41.34 1psa s ILE 247 CO 0.23 -0.23 1.60 -0.55 -1.91 0.00 0.00 174.94 174.08 1psa s SER 248 N -1.72 6.64 0.60 4.50 0.15 -1.26 -4.03 113.70 118.57 1psa s SER 248 Ca -0.02 2.46 0.39 0.00 0.70 0.00 0.00 55.95 59.47 1psa s SER 248 Cb -0.10 -2.57 1.86 0.00 -1.71 0.00 0.00 66.02 63.50 1psa s SER 248 CO 0.02 -0.85 2.16 0.00 1.20 0.00 0.00 173.24 175.77 1psa h SER 250 N 0.00 0.18 0.81 0.00 0.02 -1.99 -2.57 113.55 110.01 1psa h SER 250 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1psa h SER 250 Cb 0.27 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1psa h SER 250 CO 0.00 0.11 0.00 0.28 -1.14 0.00 0.00 176.83 176.08 1psa h SER 251 N 0.20 0.00 -0.54 3.07 0.02 -1.91 -3.22 113.55 111.18 1psa h SER 251 Ca 0.24 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.35 1psa h SER 251 Cb 0.69 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1psa h SER 251 CO -0.04 0.00 0.47 0.40 -1.14 0.00 0.00 176.83 176.51 1psa h ILE 252 N 0.00 0.51 -0.68 3.27 2.04 -1.68 -0.79 117.51 120.18 1psa h ILE 252 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1psa h ILE 252 Cb 0.41 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1psa h ILE 252 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.62 1psa n ASP 253 N -4.00 4.14 -0.08 1.72 8.00 -1.21 -4.07 116.55 121.04 1psa n ASP 253 Ca 0.10 -2.17 -0.10 0.00 0.71 0.00 0.00 54.79 53.34 1psa n ASP 253 Cb 0.68 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.18 1psa n ASP 253 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1psa n SER 254 N 1.39 2.31 -4.79 -2.24 3.41 -0.32 -5.05 113.62 108.34 1psa n SER 254 Ca 0.24 -0.05 -0.33 0.00 -0.26 0.00 0.00 58.87 58.47 1psa n SER 254 Cb 0.71 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.84 1psa n SER 254 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1psa s LEU 255 N -5.57 3.58 0.45 1.04 1.43 -1.10 -5.05 118.68 113.47 1psa s LEU 255 Ca -0.16 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1psa s LEU 255 Cb 0.05 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.72 1psa s LEU 255 CO 0.45 -1.21 0.41 -2.16 0.23 0.00 0.00 176.35 174.07 1psa s PRO 256 N -3.78 2.46 0.12 1.29 0.05 -1.26 -4.71 135.00 129.17 1psa s PRO 256 Ca 0.67 -1.64 -0.31 0.00 0.05 0.00 0.00 61.00 59.77 1psa s PRO 256 Cb -0.18 -2.34 -0.07 0.00 0.05 0.00 0.00 34.50 31.96 1psa s PRO 256 CO 0.33 -0.31 1.30 -0.51 0.05 0.00 0.00 177.00 177.86 1psa s ASP 257 N -4.19 6.94 0.14 6.66 1.01 -1.26 -4.48 116.67 121.49 1psa s ASP 257 Ca 0.46 2.24 -0.17 0.00 0.71 0.00 0.00 52.55 55.79 1psa s ASP 257 Cb -0.03 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1psa s ASP 257 CO 0.27 -0.55 0.59 -0.63 0.21 0.00 0.00 175.17 175.06 1psa s ILE 258 N 0.80 4.77 -0.03 0.77 1.01 -1.15 -4.20 121.20 123.16 1psa s ILE 258 Ca 0.60 1.04 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1psa s ILE 258 Cb -0.34 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1psa s ILE 258 CO 0.32 0.34 -0.09 -0.69 0.00 0.00 0.00 174.94 174.82 1psa s VAL 259 N -1.36 0.79 -0.33 2.92 1.01 -0.47 -0.80 120.40 122.16 1psa s VAL 259 Ca 0.36 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1psa s VAL 259 Cb -0.17 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1psa s VAL 259 CO 0.19 0.26 0.09 -0.36 0.00 0.00 0.00 175.10 175.28 1psa s PHE 260 N 0.35 3.25 -0.23 5.22 0.40 0.11 -1.55 117.98 125.53 1psa s PHE 260 Ca -0.06 -1.44 -0.18 0.00 -0.60 0.00 0.00 56.93 54.66 1psa s PHE 260 Cb -0.10 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1psa s PHE 260 CO 0.01 -0.73 0.49 0.99 0.70 0.00 0.00 175.22 176.68 1psa s THR 261 N 1.39 5.11 -0.13 0.64 2.01 -0.91 0.22 115.64 123.97 1psa s THR 261 Ca -0.02 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.86 1psa s THR 261 Cb -0.19 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1psa s THR 261 CO 0.02 0.15 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.29 1psa s ILE 262 N 1.88 1.77 -1.40 1.82 1.01 0.97 -1.44 121.20 125.81 1psa s ILE 262 Ca 0.22 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1psa s ILE 262 Cb -0.15 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1psa s ILE 262 CO 0.09 0.49 0.33 -3.20 0.00 0.00 0.00 174.94 172.65 1psa n ASN 263 N 4.29 -1.29 0.00 3.58 5.15 -1.26 -1.20 115.26 124.53 1psa n ASN 263 Ca -0.19 -1.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.54 1psa n ASN 263 Cb 0.51 -1.85 0.00 0.00 -0.53 0.00 0.00 39.78 37.91 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 -2.31 2.84 3.90 8.20 0.00 -1.26 -4.98 105.19 111.59 1psa n GLY 264 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.19 5.34 -0.08 1.61 1.01 -0.34 -5.05 120.40 120.70 1psa s VAL 265 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1psa s VAL 265 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1psa s VAL 265 CO 0.00 0.23 0.32 -1.10 0.00 0.00 0.00 175.10 174.55 1psa s GLN 266 N -2.19 3.95 -0.38 2.72 1.11 -1.26 -0.02 119.66 123.58 1psa s GLN 266 Ca 0.32 0.20 0.02 0.00 0.01 0.00 0.00 55.36 55.90 1psa s GLN 266 Cb -0.13 -3.29 0.11 0.00 -1.01 0.00 0.00 33.01 28.70 1psa s GLN 266 CO 0.22 0.54 0.15 0.71 0.01 0.00 0.00 175.29 176.91 1psa s TYR 267 N -0.48 2.38 0.63 0.91 2.02 0.13 -4.95 117.35 117.99 1psa s TYR 267 Ca 0.20 -2.37 -0.13 0.00 -0.37 0.00 0.00 57.07 54.39 1psa s TYR 267 Cb -0.14 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1psa s TYR 267 CO 0.08 -0.85 1.05 -1.25 -1.57 0.00 0.00 175.55 173.01 1psa s PRO 268 N 0.88 3.21 -0.20 -1.71 0.04 -1.26 -0.71 135.00 135.26 1psa s PRO 268 Ca 0.13 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.22 1psa s PRO 268 Cb -0.21 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1psa s PRO 268 CO -0.11 -0.88 -0.04 -0.51 0.04 0.00 0.00 177.00 175.50 1psa s LEU 269 N -4.97 1.92 0.80 -3.56 1.43 0.02 -4.94 118.68 109.38 1psa s LEU 269 Ca 0.60 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1psa s LEU 269 Cb -0.14 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.17 1psa s LEU 269 CO 0.45 -0.22 1.09 -0.94 0.23 0.00 0.00 176.35 176.97 1psa s SER 270 N 1.57 4.27 0.30 2.29 1.04 -1.26 -2.94 113.70 118.96 1psa s SER 270 Ca -0.02 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.27 1psa s SER 270 Cb -0.17 -2.49 0.73 0.00 0.10 0.00 0.00 66.02 64.20 1psa s SER 270 CO -0.07 -2.19 1.75 -0.65 0.98 0.00 0.00 173.24 173.06 1psa h PRO 271 N -1.23 0.61 -0.05 4.02 0.11 -1.84 0.20 132.00 133.81 1psa h PRO 271 Ca -0.44 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1psa h PRO 271 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1psa h PRO 271 CO 0.51 0.41 0.17 0.66 -0.21 0.00 0.00 178.00 179.54 1psa h SER 272 N 0.63 0.00 0.00 -2.05 4.64 -1.86 0.05 113.55 114.96 1psa h SER 272 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1psa h SER 272 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1psa h SER 272 CO -0.43 0.00 -1.39 0.00 -0.87 0.00 0.00 176.83 174.14 1psa n ALA 273 N -2.09 2.91 0.42 5.18 0.00 0.64 -4.58 120.51 122.99 1psa n ALA 273 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1psa n ALA 273 Cb 0.25 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.82 0.00 -4.07 0.00 0.18 -0.44 -4.84 117.16 106.17 1psa n TYR 274 Ca -0.01 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.42 1psa n TYR 274 Cb 0.34 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.17 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 -1.45 3.78 0.00 -3.48 1.01 -0.13 0.64 121.20 121.57 1psa s ILE 275 Ca 0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1psa s ILE 275 Cb 0.07 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1psa s ILE 275 CO 0.27 0.43 0.79 -0.76 0.00 0.00 0.00 174.94 175.67 1psa s LEU 276 N 1.09 4.39 -0.34 2.97 1.43 0.23 -4.77 118.68 123.68 1psa s LEU 276 Ca 0.02 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1psa s LEU 276 Cb -0.14 -3.26 0.11 0.00 0.03 0.00 0.00 46.19 42.92 1psa s LEU 276 CO 0.01 -0.09 0.11 -1.58 0.23 0.00 0.00 176.35 175.03 1psa s GLN 277 N 0.44 1.02 0.02 1.70 0.74 -1.25 -0.35 119.66 121.97 1psa s GLN 277 Ca 0.41 -1.45 -0.21 0.00 0.05 0.00 0.00 55.36 54.16 1psa s GLN 277 Cb -0.20 -2.37 -0.06 0.00 1.10 0.00 0.00 33.01 31.49 1psa s GLN 277 CO 0.23 -1.01 0.62 0.34 -0.55 0.00 0.00 175.29 174.92 1psa s ASP 278 N 1.20 7.03 1.84 6.67 2.15 -0.41 -4.86 116.67 130.30 1psa s ASP 278 Ca 0.11 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.32 1psa s ASP 278 Cb -0.19 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1psa s ASP 278 CO -0.17 0.12 0.00 -0.67 -0.17 0.00 0.00 175.17 174.28 1psa n ASP 279 N 2.56 0.00 -0.14 -0.34 -0.08 -1.26 -0.62 116.55 116.67 1psa n ASP 279 Ca -0.07 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.29 1psa n ASP 279 Cb 0.51 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.08 1psa n ASP 279 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1psa n ASP 280 N 11.27 1.90 -4.34 1.67 5.75 -1.26 -5.01 116.55 126.54 1psa n ASP 280 Ca 0.00 -2.84 -0.33 0.00 -0.01 0.00 0.00 54.79 51.61 1psa n ASP 280 Cb 0.00 -0.37 -0.15 0.00 -1.03 0.00 0.00 41.12 39.58 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 -2.45 3.93 -0.12 -1.12 0.15 0.21 -4.87 113.70 109.43 1psa s SER 281 Ca 0.25 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.56 1psa s SER 281 Cb 0.22 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1psa s SER 281 CO 0.02 0.13 -0.23 0.00 1.20 0.00 0.00 173.24 174.36 1psa s THR 283 N 0.53 1.98 0.08 0.00 -4.23 0.52 -0.81 115.64 113.72 1psa s THR 283 Ca -0.14 -2.10 -0.20 0.00 -1.18 0.00 0.00 61.69 58.07 1psa s THR 283 Cb -0.17 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 70.84 1psa s THR 283 CO 0.05 -0.12 0.59 -0.55 -0.54 0.00 0.00 174.62 174.05 1psa s SER 284 N -3.61 7.10 0.00 3.99 0.15 0.06 0.76 113.70 122.14 1psa s SER 284 Ca 0.33 1.30 0.23 0.00 0.70 0.00 0.00 55.95 58.52 1psa s SER 284 Cb 0.06 -2.38 1.09 0.00 -1.71 0.00 0.00 66.02 63.09 1psa s SER 284 CO 0.16 0.26 1.75 0.61 1.20 0.00 0.00 173.24 177.22 1psa n GLY 285 N 1.74 -1.15 3.89 9.45 0.00 0.21 -4.73 105.19 114.60 1psa n GLY 285 Ca -0.10 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.75 3.57 -0.00 1.61 0.40 -1.26 -1.51 117.98 118.04 1psa s PHE 286 Ca 0.18 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1psa s PHE 286 Cb 0.15 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 1psa s PHE 286 CO 0.38 0.64 -0.07 -2.00 0.70 0.00 0.00 175.22 174.86 1psa s GLU 287 N -1.72 0.58 -0.56 0.44 2.12 -0.77 -4.95 118.70 113.85 1psa s GLU 287 Ca 0.26 -0.29 -0.18 0.00 0.36 0.00 0.00 54.97 55.13 1psa s GLU 287 Cb -0.13 -0.55 0.10 0.00 0.26 0.00 0.00 34.13 33.81 1psa s GLU 287 CO 0.15 0.15 0.60 0.20 -0.54 0.00 0.00 175.26 175.83 1psa s GLY 288 N -0.25 1.90 -0.05 -1.50 0.00 -1.26 -2.78 107.32 103.38 1psa s GLY 288 Ca 0.02 -2.26 0.01 0.00 0.00 0.00 0.00 44.72 42.49 1psa s GLY 288 CO -0.00 1.40 -0.06 -0.29 0.00 0.00 0.00 173.10 174.15 1psa s MET 289 N 2.25 0.99 -0.32 2.90 0.00 0.94 -4.51 119.30 121.54 1psa s MET 289 Ca 0.09 -0.17 -0.21 0.00 0.00 0.00 0.00 55.69 55.40 1psa s MET 289 Cb -0.25 -0.93 -0.00 0.00 0.00 0.00 0.00 34.83 33.64 1psa s MET 289 CO 0.06 -0.05 0.66 -0.51 0.00 0.00 0.00 175.02 175.18 1psa s ASP 290 N 0.81 6.50 -0.68 1.11 1.01 -1.26 -3.37 116.67 120.79 1psa s ASP 290 Ca -0.12 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.57 1psa s ASP 290 Cb -0.14 -2.34 0.21 0.00 1.01 0.00 0.00 42.92 41.65 1psa s ASP 290 CO 0.01 -0.54 0.61 0.52 0.21 0.00 0.00 175.17 175.98 1psa n VAL 291 N 5.49 1.99 -1.64 -1.27 0.31 -1.26 -5.02 118.33 116.92 1psa n VAL 291 Ca -0.00 -5.04 -0.48 0.00 -0.01 0.00 0.00 64.34 58.81 1psa n VAL 291 Cb 0.49 -2.15 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 1psa n VAL 291 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1psa n PRO 292 N 1.46 1.73 -4.25 5.55 -0.04 -1.26 -1.40 135.00 136.79 1psa n PRO 292 Ca 0.24 0.63 -0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1psa n PRO 292 Cb 0.38 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 1psa n PRO 292 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1psa s THR 293 N 0.66 0.50 -1.10 0.52 2.01 -0.83 -4.94 115.64 112.47 1psa s THR 293 Ca 0.80 -1.98 0.12 0.00 0.31 0.00 0.00 61.69 60.94 1psa s THR 293 Cb -0.79 -2.32 0.13 0.00 0.01 0.00 0.00 72.50 69.53 1psa s THR 293 CO 0.42 -0.27 1.37 -1.20 -0.69 0.00 0.00 174.62 174.26 1psa n SER 294 N -0.30 0.00 -2.25 3.53 7.64 -1.26 -2.57 113.62 118.40 1psa n SER 294 Ca -0.03 0.41 -0.28 0.00 1.01 0.00 0.00 58.87 59.98 1psa n SER 294 Cb 0.65 -0.45 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1psa n SER 294 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1psa n SER 295 N -1.45 5.46 0.00 6.43 3.41 -1.26 -5.09 113.62 121.12 1psa n SER 295 Ca 0.04 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1psa n SER 295 Cb 0.13 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 -0.67 -0.59 3.65 5.00 0.00 -1.06 -4.76 105.19 106.76 1psa n GLY 296 Ca 0.46 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.53 4.11 0.16 1.61 2.56 -1.26 -1.96 118.70 122.38 1psa s GLU 297 Ca 0.00 1.94 -0.22 0.00 0.00 0.00 0.00 54.97 56.69 1psa s GLU 297 Cb 0.00 -3.94 -0.08 0.00 2.00 0.00 0.00 34.13 32.12 1psa s GLU 297 CO 0.00 -0.90 0.70 -0.51 -0.56 0.00 0.00 175.26 173.99 1psa s LEU 298 N 4.14 4.51 -0.12 2.70 1.02 -0.50 -4.51 118.68 125.91 1psa s LEU 298 Ca 0.68 1.47 -0.14 0.00 0.02 0.00 0.00 54.13 56.16 1psa s LEU 298 Cb -0.28 -3.26 -0.05 0.00 0.02 0.00 0.00 46.19 42.62 1psa s LEU 298 CO 0.25 0.18 0.33 0.26 0.02 0.00 0.00 176.35 177.40 1psa s TRP 299 N -1.24 3.52 -0.21 0.29 0.52 0.02 -4.40 118.94 117.44 1psa s TRP 299 Ca 0.36 0.71 -0.02 0.00 0.02 0.00 0.00 56.10 57.16 1psa s TRP 299 Cb -0.20 -2.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.78 1psa s TRP 299 CO 0.23 0.33 -0.09 0.42 0.02 0.00 0.00 176.95 177.85 1psa s ILE 300 N 0.14 2.93 -0.90 2.03 1.01 0.20 -0.53 121.20 126.07 1psa s ILE 300 Ca 0.19 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 1psa s ILE 300 Cb -0.14 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.14 1psa s ILE 300 CO 0.07 0.45 1.11 -0.76 0.00 0.00 0.00 174.94 175.81 1psa s LEU 301 N 1.41 4.98 0.00 2.97 1.43 0.76 -0.84 118.68 129.40 1psa s LEU 301 Ca 0.05 -1.93 0.00 0.00 -1.03 0.00 0.00 54.13 51.23 1psa s LEU 301 Cb -0.14 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1psa s LEU 301 CO -0.07 -1.10 0.00 0.61 0.23 0.00 0.00 176.35 176.02 1psa n GLY 302 N 5.49 0.69 0.33 -3.19 0.00 -1.20 -1.21 105.19 106.11 1psa n GLY 302 Ca 0.21 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 0.60 -0.90 1.61 3.32 -0.81 0.35 116.42 120.58 1psa h ASP 303 Ca 0.00 0.12 0.17 0.00 0.02 0.00 0.00 57.03 57.33 1psa h ASP 303 Cb 0.00 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.48 1psa h ASP 303 CO 0.00 0.16 0.48 0.58 -1.72 0.00 0.00 179.24 178.74 1psa h VAL 304 N 0.61 0.70 0.01 -1.35 2.07 -1.74 -0.00 116.25 116.54 1psa h VAL 304 Ca 0.56 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 1psa h VAL 304 Cb 0.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1psa h VAL 304 CO -0.43 0.12 -0.01 0.15 0.02 0.00 0.00 177.57 177.42 1psa h PHE 305 N 0.64 -0.01 0.00 1.57 3.57 -1.30 -3.37 116.94 118.04 1psa h PHE 305 Ca 0.50 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 1psa h PHE 305 Cb 0.76 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1psa h PHE 305 CO -0.07 0.72 -0.06 0.82 -2.23 0.00 0.00 178.31 177.49 1psa h ILE 306 N -0.97 0.67 0.00 1.41 2.04 -0.90 0.95 117.51 120.71 1psa h ILE 306 Ca -0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1psa h ILE 306 Cb 0.74 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1psa h ILE 306 CO 0.00 0.06 -0.11 0.03 0.00 0.00 0.00 178.15 178.14 1psa h ARG 307 N 0.00 0.00 0.00 2.37 3.08 -1.16 -2.64 114.38 116.03 1psa h ARG 307 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1psa h ARG 307 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1psa h ARG 307 CO 0.01 0.11 -1.18 1.04 -1.07 0.00 0.00 179.97 178.87 1psa n GLN 308 N -4.17 0.61 -4.05 0.04 1.13 0.32 -4.80 117.38 106.47 1psa n GLN 308 Ca -0.03 0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 54.84 1psa n GLN 308 Cb 0.19 -1.78 -0.17 0.00 0.11 0.00 0.00 30.24 28.59 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 -3.35 1.80 0.12 1.08 2.02 -1.00 -0.71 117.35 117.31 1psa s TYR 309 Ca -0.02 -0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 55.44 1psa s TYR 309 Cb 0.10 -1.38 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 1psa s TYR 309 CO 0.81 -0.55 1.49 -0.47 -1.57 0.00 0.00 175.55 175.26 1psa s TYR 310 N 1.48 3.05 -0.10 2.71 5.04 -0.26 -4.63 117.35 124.64 1psa s TYR 310 Ca 0.03 0.74 0.04 0.00 -2.44 0.00 0.00 57.07 55.43 1psa s TYR 310 Cb -0.13 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1psa s TYR 310 CO -0.08 -2.98 -0.22 0.99 -1.34 0.00 0.00 175.55 171.92 1psa s THR 311 N 1.38 1.91 -0.17 4.34 2.01 -1.04 -3.05 115.64 121.02 1psa s THR 311 Ca 0.68 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1psa s THR 311 Cb -0.40 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1psa s THR 311 CO 0.31 0.53 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.04 1psa s VAL 312 N 0.44 3.87 -0.32 3.82 1.01 -0.50 -0.85 120.40 127.87 1psa s VAL 312 Ca -0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1psa s VAL 312 Cb -0.17 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1psa s VAL 312 CO 0.07 0.47 0.06 -0.36 0.00 0.00 0.00 175.10 175.34 1psa s PHE 313 N 0.59 3.29 -0.36 5.22 0.40 -0.22 -0.90 117.98 126.00 1psa s PHE 313 Ca -0.02 -1.74 -0.09 0.00 -0.60 0.00 0.00 56.93 54.49 1psa s PHE 313 Cb -0.14 -2.27 0.04 0.00 0.51 0.00 0.00 43.02 41.15 1psa s PHE 313 CO 0.02 -0.79 0.16 0.34 0.70 0.00 0.00 175.22 175.65 1psa s ASP 314 N 1.37 5.52 0.47 1.36 -1.08 0.09 -1.36 116.67 123.03 1psa s ASP 314 Ca -0.03 -1.09 0.26 0.00 -0.52 0.00 0.00 52.55 51.17 1psa s ASP 314 Cb -0.20 -1.94 0.63 0.00 -1.46 0.00 0.00 42.92 39.95 1psa s ASP 314 CO 0.00 -0.36 1.71 0.03 0.52 0.00 0.00 175.17 177.08 1psa h ARG 315 N 8.32 0.00 -0.49 4.34 2.47 -1.33 -1.42 114.38 126.28 1psa h ARG 315 Ca -0.24 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.45 1psa h ARG 315 Cb 1.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 1psa h ARG 315 CO 0.64 0.02 0.17 0.00 0.56 0.00 0.00 179.97 181.35 1psa h ALA 316 N 1.98 1.39 0.00 0.04 0.00 -1.90 -3.26 119.26 117.52 1psa h ALA 316 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1psa h ALA 316 Cb 0.87 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1psa h ALA 316 CO 0.00 0.45 -0.51 0.27 0.00 0.00 0.00 179.25 179.47 1psa n ASN 317 N -4.33 1.05 -3.76 0.00 2.04 -1.23 -5.05 115.26 103.98 1psa n ASN 317 Ca 0.04 -2.55 -0.28 0.00 -0.44 0.00 0.00 54.58 51.35 1psa n ASN 317 Cb 0.17 -0.33 0.02 0.00 -2.53 0.00 0.00 39.78 37.12 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 -0.39 -3.35 -3.73 0.53 3.02 -0.65 -4.90 115.26 105.79 1psa n ASN 318 Ca 0.08 -0.99 -0.14 0.00 -0.03 0.00 0.00 54.58 53.51 1psa n ASN 318 Cb 0.79 -3.40 -0.09 0.00 -0.61 0.00 0.00 39.78 36.48 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 -6.12 0.68 -0.07 3.52 1.02 -0.63 -1.18 119.74 116.96 1psa s LYS 319 Ca 0.28 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.21 1psa s LYS 319 Cb -0.10 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1psa s LYS 319 CO 0.86 -0.18 0.03 0.08 -0.92 0.00 0.00 175.35 175.22 1psa s VAL 320 N -1.09 4.47 -0.16 3.17 1.01 0.58 -0.73 120.40 127.64 1psa s VAL 320 Ca -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1psa s VAL 320 Cb -0.04 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1psa s VAL 320 CO 0.04 0.54 -0.19 -0.83 0.00 0.00 0.00 175.10 174.67 1psa s GLY 321 N -1.10 1.31 0.11 4.51 0.00 -0.07 0.63 107.32 112.70 1psa s GLY 321 Ca 0.16 -1.10 0.09 0.00 0.00 0.00 0.00 44.72 43.87 1psa s GLY 321 CO 0.05 0.25 -0.20 1.08 0.00 0.00 0.00 173.10 174.29 1psa s LEU 322 N 1.20 2.62 -0.11 0.66 1.43 0.20 -1.40 118.68 123.27 1psa s LEU 322 Ca 0.01 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 1psa s LEU 322 Cb -0.14 -1.48 0.09 0.00 0.03 0.00 0.00 46.19 44.69 1psa s LEU 322 CO -0.09 0.19 0.82 0.00 0.23 0.00 0.00 176.35 177.49 1psa s ALA 323 N -1.11 -1.84 0.41 4.21 0.00 -1.17 -1.12 121.76 121.14 1psa s ALA 323 Ca 0.17 1.48 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 1psa s ALA 323 Cb -0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 1psa s ALA 323 CO 0.09 -0.34 1.18 -2.14 0.00 0.00 0.00 175.76 174.55 1psa s PRO 324 N -1.03 3.99 0.35 0.00 0.02 -1.25 -1.10 135.00 135.98 1psa s PRO 324 Ca -0.06 1.86 -0.29 0.00 0.02 0.00 0.00 61.00 62.53 1psa s PRO 324 Cb -0.01 -2.64 -0.11 0.00 0.02 0.00 0.00 34.50 31.77 1psa s PRO 324 CO 0.06 -0.38 1.44 0.14 -0.33 0.00 0.00 177.00 177.93 1psa s VAL 325 N -1.42 2.27 -2.87 3.83 -7.23 0.11 -0.02 120.40 115.08 1psa s VAL 325 Ca 0.58 0.27 0.25 0.00 -1.81 0.00 0.00 61.98 61.27 1psa s VAL 325 Cb -0.31 -3.17 0.28 0.00 0.56 0.00 0.00 36.38 33.74 1psa s VAL 325 CO 0.39 0.06 1.39 0.00 -0.31 0.00 0.00 175.10 176.63