#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkr n ALA 2 N 0.00 -0.18 -3.22 0.00 0.00 -1.26 -4.36 120.51 111.49 1wkr n ALA 2 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1wkr n ALA 2 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 1wkr n ALA 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wkr s GLY 3 N -2.09 -0.36 0.30 0.00 0.00 -0.94 -5.01 107.32 99.23 1wkr s GLY 3 Ca 0.73 0.40 0.10 0.00 0.00 0.00 0.00 44.72 45.94 1wkr s GLY 3 CO 0.52 0.12 -0.03 -0.56 0.00 0.00 0.00 173.10 173.14 1wkr s SER 4 N -2.13 4.18 -0.01 1.64 0.01 -1.26 -0.77 113.70 115.37 1wkr s SER 4 Ca -0.04 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1wkr s SER 4 Cb -0.00 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.65 1wkr s SER 4 CO -0.04 -0.11 0.00 0.54 0.41 0.00 0.00 173.24 174.04 1wkr s VAL 5 N -2.45 0.07 0.68 3.43 0.11 -0.04 -4.55 120.40 117.64 1wkr s VAL 5 Ca 0.33 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.28 1wkr s VAL 5 Cb -0.03 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1wkr s VAL 5 CO 0.19 0.06 1.13 -2.84 -3.33 0.00 0.00 175.10 170.31 1wkr s PRO 6 N 0.46 2.64 0.03 1.54 0.02 -1.26 -1.14 135.00 137.30 1wkr s PRO 6 Ca -0.04 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.48 1wkr s PRO 6 Cb -0.06 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1wkr s PRO 6 CO -0.01 -1.39 -0.09 0.00 -0.33 0.00 0.00 177.00 175.18 1wkr s ALA 7 N -2.26 0.71 -0.16 -1.55 0.00 -0.28 -4.59 121.76 113.63 1wkr s ALA 7 Ca 0.69 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1wkr s ALA 7 Cb -0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1wkr s ALA 7 CO 0.42 0.08 -0.08 0.99 0.00 0.00 0.00 175.76 177.17 1wkr s THR 8 N -0.93 3.39 -0.31 0.00 2.01 0.07 -1.25 115.64 118.61 1wkr s THR 8 Ca -0.04 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1wkr s THR 8 Cb -0.07 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1wkr s THR 8 CO 0.01 0.49 1.13 0.21 -0.69 0.00 0.00 174.62 175.77 1wkr s ASN 9 N 0.58 6.88 -0.27 3.53 3.84 0.42 -1.34 114.94 128.57 1wkr s ASN 9 Ca -0.05 1.10 0.12 0.00 0.21 0.00 0.00 52.86 54.23 1wkr s ASN 9 Cb -0.15 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.59 1wkr s ASN 9 CO 0.03 -0.92 1.56 0.00 -2.79 0.00 0.00 177.10 174.98 1wkr n GLN 10 N 6.97 2.72 0.00 0.43 6.02 0.52 -2.51 117.38 131.52 1wkr n GLN 10 Ca 0.13 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.09 1wkr n GLN 10 Cb 0.47 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1wkr n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wkr n LEU 11 N -0.67 0.00 0.05 1.08 4.77 -1.26 -4.00 117.00 116.97 1wkr n LEU 11 Ca 0.32 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1wkr n LEU 11 Cb 1.11 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.14 1wkr n LEU 11 CO 0.26 0.00 -0.25 1.33 -1.33 0.00 0.00 177.39 177.40 1wkr n VAL 12 N 0.00 0.32 -3.92 4.08 0.24 -1.26 -4.98 118.33 112.81 1wkr n VAL 12 Ca 0.00 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 1wkr n VAL 12 Cb 0.00 -0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 1wkr n VAL 12 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1wkr s ASP 13 N -4.80 -0.18 0.06 -1.34 1.47 -1.26 -4.22 116.67 106.41 1wkr s ASP 13 Ca -0.02 -0.75 0.06 0.00 1.18 0.00 0.00 52.55 53.01 1wkr s ASP 13 Cb 0.12 0.65 -0.04 0.00 -0.34 0.00 0.00 42.92 43.31 1wkr s ASP 13 CO 0.83 -1.22 -0.09 -0.31 0.68 0.00 0.00 175.17 175.06 1wkr s TYR 14 N -3.96 2.79 0.21 2.11 1.51 -1.26 -0.35 117.35 118.39 1wkr s TYR 14 Ca 0.16 -0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.19 1wkr s TYR 14 Cb -0.03 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1wkr s TYR 14 CO 0.07 0.39 -0.17 0.14 -1.11 0.00 0.00 175.55 174.88 1wkr s VAL 15 N -1.11 1.92 0.06 0.71 -7.23 -0.45 -0.55 120.40 113.75 1wkr s VAL 15 Ca 0.19 -2.17 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1wkr s VAL 15 Cb -0.11 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1wkr s VAL 15 CO 0.11 -0.48 -0.15 0.68 -0.31 0.00 0.00 175.10 174.96 1wkr s VAL 16 N -2.62 1.15 0.11 1.32 -7.23 -0.29 -0.75 120.40 112.09 1wkr s VAL 16 Ca 0.22 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1wkr s VAL 16 Cb -0.03 -1.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1wkr s VAL 16 CO 0.08 -0.12 1.18 0.20 -0.31 0.00 0.00 175.10 176.13 1wkr s ASN 17 N -1.52 7.11 -0.08 4.85 0.02 -1.26 -1.14 114.94 122.92 1wkr s ASN 17 Ca -0.00 2.07 0.00 0.00 -1.02 0.00 0.00 52.86 53.91 1wkr s ASN 17 Cb -0.09 -2.59 0.02 0.00 0.02 0.00 0.00 41.25 38.61 1wkr s ASN 17 CO 0.02 -0.41 -0.06 -0.69 0.02 0.00 0.00 177.10 175.98 1wkr s VAL 18 N 0.62 0.79 0.16 1.60 1.01 -0.01 -4.61 120.40 119.95 1wkr s VAL 18 Ca 0.56 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1wkr s VAL 18 Cb -0.30 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 1wkr s VAL 18 CO 0.32 0.31 0.72 -0.83 0.00 0.00 0.00 175.10 175.61 1wkr s GLY 19 N 1.45 2.78 -0.06 4.51 0.00 -0.40 -0.81 107.32 114.79 1wkr s GLY 19 Ca -0.01 0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.95 1wkr s GLY 19 CO -0.04 0.68 -0.05 0.14 0.00 0.00 0.00 173.10 173.83 1wkr s VAL 20 N -1.25 0.62 0.00 1.40 1.01 -0.38 -0.39 120.40 121.40 1wkr s VAL 20 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1wkr s VAL 20 Cb -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1wkr s VAL 20 CO 0.23 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1wkr n GLY 21 N 4.26 0.52 2.75 4.51 0.00 -0.20 -1.30 105.19 115.73 1wkr n GLY 21 Ca -0.21 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.51 1wkr n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wkr s SER 22 N 0.00 1.58 0.57 1.61 0.15 -1.26 -2.89 113.70 113.46 1wkr s SER 22 Ca 0.00 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 55.99 1wkr s SER 22 Cb 0.00 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1wkr s SER 22 CO 0.00 -0.36 1.11 -2.16 1.20 0.00 0.00 173.24 173.03 1wkr s PRO 23 N 2.34 3.24 0.10 5.44 0.04 -1.26 -4.03 135.00 140.87 1wkr s PRO 23 Ca 0.08 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 1wkr s PRO 23 Cb -0.15 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1wkr s PRO 23 CO -0.22 -0.92 0.85 0.00 0.04 0.00 0.00 177.00 176.74 1wkr s ALA 24 N -1.99 3.34 -0.09 8.56 0.00 -1.14 -4.94 121.76 125.50 1wkr s ALA 24 Ca 0.70 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 1wkr s ALA 24 Cb -0.22 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1wkr s ALA 24 CO 0.31 0.09 0.19 0.99 0.00 0.00 0.00 175.76 177.34 1wkr s THR 25 N -0.32 5.42 -0.03 0.00 2.01 -0.42 -4.85 115.64 117.45 1wkr s THR 25 Ca 0.41 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.51 1wkr s THR 25 Cb -0.22 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1wkr s THR 25 CO 0.26 0.59 0.54 -0.89 -0.69 0.00 0.00 174.62 174.44 1wkr s THR 26 N -1.06 5.00 0.09 -0.82 2.01 -1.26 -1.25 115.64 118.35 1wkr s THR 26 Ca 0.17 1.12 0.09 0.00 0.31 0.00 0.00 61.69 63.38 1wkr s THR 26 Cb -0.13 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1wkr s THR 26 CO 0.06 0.41 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.87 1wkr s TYR 27 N -0.06 1.91 -0.44 4.92 1.51 0.01 -4.95 117.35 120.25 1wkr s TYR 27 Ca 0.29 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 1wkr s TYR 27 Cb -0.17 -1.07 0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1wkr s TYR 27 CO 0.15 0.19 0.33 0.45 -1.11 0.00 0.00 175.55 175.57 1wkr s SER 28 N -1.71 6.01 -0.09 2.29 0.15 -1.26 -0.83 113.70 118.26 1wkr s SER 28 Ca 0.08 -1.23 -0.02 0.00 0.70 0.00 0.00 55.95 55.48 1wkr s SER 28 Cb -0.10 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1wkr s SER 28 CO 0.04 -0.56 -0.00 -0.76 1.20 0.00 0.00 173.24 173.16 1wkr s LEU 29 N 1.60 3.55 0.01 3.45 1.43 -0.29 -0.82 118.68 127.61 1wkr s LEU 29 Ca 0.04 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1wkr s LEU 29 Cb -0.22 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1wkr s LEU 29 CO 0.07 0.36 1.21 -0.22 0.23 0.00 0.00 176.35 178.00 1wkr s LEU 30 N -0.80 4.33 -0.38 1.79 0.20 0.11 -1.14 118.68 122.79 1wkr s LEU 30 Ca 0.12 1.93 -0.29 0.00 0.69 0.00 0.00 54.13 56.58 1wkr s LEU 30 Cb -0.11 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1wkr s LEU 30 CO 0.02 -0.53 1.35 -0.69 -0.29 0.00 0.00 176.35 176.21 1wkr s VAL 31 N 1.65 4.02 -0.25 1.68 1.01 0.29 -0.45 120.40 128.33 1wkr s VAL 31 Ca 0.58 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 1wkr s VAL 31 Cb -0.27 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1wkr s VAL 31 CO 0.26 -0.67 0.03 -0.62 0.00 0.00 0.00 175.10 174.10 1wkr s ASP 32 N 3.37 3.69 0.00 3.32 2.15 -0.77 -3.61 116.67 124.81 1wkr s ASP 32 Ca 0.58 -1.28 0.31 0.00 0.43 0.00 0.00 52.55 52.59 1wkr s ASP 32 Cb -0.14 -0.93 1.64 0.00 -0.30 0.00 0.00 42.92 43.19 1wkr s ASP 32 CO 0.29 -0.32 2.10 0.35 -0.17 0.00 0.00 175.17 177.41 1wkr n THR 33 N 4.82 0.00 0.51 1.71 -2.24 -1.26 -1.52 114.28 116.30 1wkr n THR 33 Ca -0.07 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1wkr n THR 33 Cb 0.44 -0.40 0.25 0.00 -2.10 0.00 0.00 70.33 68.52 1wkr n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkr n GLY 34 N 1.15 1.42 3.63 3.38 0.00 -1.26 -3.73 105.19 109.78 1wkr n GLY 34 Ca 0.19 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1wkr n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkr s SER 35 N -1.49 -0.12 0.00 1.61 1.04 -1.24 -4.96 113.70 108.53 1wkr s SER 35 Ca 0.37 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1wkr s SER 35 Cb 0.22 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1wkr s SER 35 CO 0.30 -1.17 0.58 -1.20 0.98 0.00 0.00 173.24 172.73 1wkr n SER 36 N -0.39 0.43 -4.57 7.02 7.64 -1.26 -0.36 113.62 122.13 1wkr n SER 36 Ca -0.02 -1.21 -0.36 0.00 1.01 0.00 0.00 58.87 58.29 1wkr n SER 36 Cb 0.61 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 1wkr n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wkr s ASN 37 N -0.21 5.60 -0.19 6.43 -0.87 -1.26 -4.69 114.94 119.75 1wkr s ASN 37 Ca 0.00 -0.03 -0.21 0.00 -1.57 0.00 0.00 52.86 51.05 1wkr s ASN 37 Cb 0.00 -2.00 -0.02 0.00 -0.02 0.00 0.00 41.25 39.21 1wkr s ASN 37 CO 0.00 0.05 0.66 -0.89 -2.57 0.00 0.00 177.10 174.35 1wkr s THR 38 N 1.13 5.00 0.12 1.60 2.01 -1.26 -3.64 115.64 120.60 1wkr s THR 38 Ca 0.05 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.20 1wkr s THR 38 Cb -0.14 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1wkr s THR 38 CO 0.04 0.10 0.29 -1.66 -0.69 0.00 0.00 174.62 172.70 1wkr s TRP 39 N 1.93 0.08 0.24 4.92 1.48 -0.38 -0.85 118.94 126.36 1wkr s TRP 39 Ca 0.30 -0.46 -0.01 0.00 -1.06 0.00 0.00 56.10 54.87 1wkr s TRP 39 Cb -0.16 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 1wkr s TRP 39 CO 0.11 -0.65 0.23 -0.48 -4.06 0.00 0.00 176.95 172.10 1wkr s LEU 40 N -2.87 1.18 0.00 -4.66 0.05 -0.45 -1.54 118.68 110.39 1wkr s LEU 40 Ca 0.07 -1.42 0.00 0.00 0.05 0.00 0.00 54.13 52.82 1wkr s LEU 40 Cb 0.03 0.65 0.00 0.00 -2.05 0.00 0.00 46.19 44.83 1wkr s LEU 40 CO -0.09 -0.96 0.00 0.61 -0.55 0.00 0.00 176.35 175.37 1wkr n GLY 41 N -0.38 0.99 0.14 -3.48 0.00 -0.60 -0.76 105.19 101.10 1wkr n GLY 41 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1wkr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkr h ALA 42 N 0.00 1.00 -3.00 4.61 0.00 -1.48 -3.44 119.26 116.95 1wkr h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wkr h ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wkr h ALA 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1wkr n ASP 43 N -2.35 0.00 -4.73 0.00 2.03 -1.26 -4.91 116.55 105.33 1wkr n ASP 43 Ca 0.03 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 1wkr n ASP 43 Cb 0.29 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.70 1wkr n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wkr n LYS 44 N 0.00 2.19 -2.08 -0.67 5.02 -1.26 -4.95 118.16 116.40 1wkr n LYS 44 Ca 0.00 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 1wkr n LYS 44 Cb 0.00 -2.49 0.02 0.00 -0.02 0.00 0.00 35.03 32.54 1wkr n LYS 44 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wkr s SER 45 N -0.40 5.37 -0.09 4.39 0.01 -1.26 -4.09 113.70 117.63 1wkr s SER 45 Ca 0.58 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.83 1wkr s SER 45 Cb -0.50 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.09 1wkr s SER 45 CO 0.60 -1.46 1.66 -0.47 0.41 0.00 0.00 173.24 173.98 1wkr s TYR 46 N -1.72 1.97 -0.40 2.43 5.04 -1.26 -4.97 117.35 118.44 1wkr s TYR 46 Ca 0.75 0.26 -0.21 0.00 -2.44 0.00 0.00 57.07 55.43 1wkr s TYR 46 Cb -0.27 -3.93 0.01 0.00 0.35 0.00 0.00 41.96 38.13 1wkr s TYR 46 CO 0.31 -3.70 0.65 0.08 -1.34 0.00 0.00 175.55 171.56 1wkr s VAL 47 N 4.38 4.84 -0.22 3.14 1.01 -1.26 -5.03 120.40 127.26 1wkr s VAL 47 Ca 0.74 0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.85 1wkr s VAL 47 Cb -0.32 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1wkr s VAL 47 CO 0.30 -0.49 0.64 -0.54 0.00 0.00 0.00 175.10 175.01 1wkr s LYS 48 N 2.82 4.18 0.17 2.72 1.02 -1.26 -4.84 119.74 124.54 1wkr s LYS 48 Ca 0.24 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1wkr s LYS 48 Cb -0.14 -3.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1wkr s LYS 48 CO 0.18 -0.31 0.00 0.25 -0.92 0.00 0.00 175.35 174.54 1wkr n THR 49 N 4.89 0.00 0.38 2.17 -2.24 -1.26 -5.00 114.28 113.21 1wkr n THR 49 Ca -0.01 -0.81 0.11 0.00 -2.27 0.00 0.00 64.05 61.07 1wkr n THR 49 Cb 0.49 0.17 0.48 0.00 -2.10 0.00 0.00 70.33 69.37 1wkr n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wkr n SER 50 N -1.12 0.61 -0.12 3.42 3.41 -1.26 -1.54 113.62 117.02 1wkr n SER 50 Ca -0.07 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1wkr n SER 50 Cb 0.22 -0.79 0.38 0.00 -0.26 0.00 0.00 64.21 63.76 1wkr n SER 50 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wkr n THR 51 N -2.19 0.00 -2.46 6.66 -2.24 -1.26 -4.83 114.28 107.96 1wkr n THR 51 Ca 0.02 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1wkr n THR 51 Cb 0.20 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1wkr n THR 51 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wkr s SER 52 N -2.71 7.20 -0.00 3.42 0.15 -0.59 -4.07 113.70 117.10 1wkr s SER 52 Ca 0.19 2.16 -0.00 0.00 0.70 0.00 0.00 55.95 59.00 1wkr s SER 52 Cb 0.19 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wkr s SER 52 CO 0.58 -0.27 0.01 -0.44 1.20 0.00 0.00 173.24 174.32 1wkr s SER 53 N -0.10 -0.01 0.47 5.45 0.01 -0.16 -4.90 113.70 114.47 1wkr s SER 53 Ca 0.50 0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.57 1wkr s SER 53 Cb -0.31 0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.86 1wkr s SER 53 CO 0.36 -0.00 1.07 0.00 0.41 0.00 0.00 173.24 175.07 1wkr s ALA 54 N 0.02 2.90 0.52 1.44 0.00 -1.26 -1.00 121.76 124.38 1wkr s ALA 54 Ca -0.00 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1wkr s ALA 54 Cb -0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1wkr s ALA 54 CO -0.00 -0.39 0.22 0.25 0.00 0.00 0.00 175.76 175.83 1wkr n THR 55 N -0.77 0.00 1.46 0.00 -2.24 -1.12 -4.69 114.28 106.92 1wkr n THR 55 Ca 0.08 -2.24 0.09 0.00 -2.27 0.00 0.00 64.05 59.72 1wkr n THR 55 Cb 0.51 0.20 0.39 0.00 -2.10 0.00 0.00 70.33 69.33 1wkr n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wkr n SER 56 N -1.59 1.12 -4.46 3.42 3.41 -1.26 -4.94 113.62 109.32 1wkr n SER 56 Ca -0.11 -1.67 -0.30 0.00 -0.26 0.00 0.00 58.87 56.54 1wkr n SER 56 Cb 0.62 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.37 1wkr n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wkr s ASP 57 N -1.49 3.78 0.55 4.04 1.01 -1.26 -4.54 116.67 118.76 1wkr s ASP 57 Ca 0.29 -0.48 -0.03 0.00 0.71 0.00 0.00 52.55 53.03 1wkr s ASP 57 Cb 0.15 -0.56 0.02 0.00 1.01 0.00 0.00 42.92 43.53 1wkr s ASP 57 CO 0.23 0.23 0.82 -0.54 0.21 0.00 0.00 175.17 176.11 1wkr s LYS 58 N -1.66 2.81 0.01 8.23 -0.14 0.19 -1.63 119.74 127.55 1wkr s LYS 58 Ca 0.15 -0.33 -0.01 0.00 -1.36 0.00 0.00 55.97 54.42 1wkr s LYS 58 Cb -0.10 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1wkr s LYS 58 CO 0.07 -0.63 0.01 0.54 -0.76 0.00 0.00 175.35 174.58 1wkr s VAL 59 N -2.84 0.07 -0.18 3.17 0.11 -0.20 -1.06 120.40 119.47 1wkr s VAL 59 Ca 0.53 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 1wkr s VAL 59 Cb -0.10 -0.21 0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1wkr s VAL 59 CO 0.41 -0.31 0.45 -0.55 -3.33 0.00 0.00 175.10 171.78 1wkr s SER 60 N -0.92 -0.52 -0.02 3.54 0.15 -0.32 -0.45 113.70 115.17 1wkr s SER 60 Ca -0.10 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.51 1wkr s SER 60 Cb -0.06 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 1wkr s SER 60 CO -0.00 -0.18 -0.04 -0.69 1.20 0.00 0.00 173.24 173.53 1wkr s VAL 61 N 0.75 0.40 -0.16 4.45 1.01 -0.47 -4.54 120.40 121.84 1wkr s VAL 61 Ca -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1wkr s VAL 61 Cb -0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1wkr s VAL 61 CO -0.05 0.15 -0.04 -0.89 0.00 0.00 0.00 175.10 174.26 1wkr s THR 62 N 0.30 3.88 0.43 3.92 2.01 -1.26 -1.53 115.64 123.39 1wkr s THR 62 Ca -0.03 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1wkr s THR 62 Cb -0.07 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1wkr s THR 62 CO -0.00 0.49 0.18 -0.31 -0.69 0.00 0.00 174.62 174.29 1wkr s TYR 63 N 0.39 2.47 0.15 4.92 2.02 0.26 -4.99 117.35 122.57 1wkr s TYR 63 Ca -0.04 -0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 55.86 1wkr s TYR 63 Cb -0.14 -1.93 0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1wkr s TYR 63 CO 0.03 0.14 1.79 0.78 -1.57 0.00 0.00 175.55 176.72 1wkr h GLY 64 N 1.37 0.53 -1.17 0.71 0.00 -1.99 -3.23 103.07 99.28 1wkr h GLY 64 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1wkr h GLY 64 CO 0.70 0.13 0.00 -1.14 0.00 0.00 0.00 176.54 176.22 1wkr n SER 65 N -4.90 3.05 -0.12 0.19 3.41 -1.26 -5.06 113.62 108.94 1wkr n SER 65 Ca 0.01 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1wkr n SER 65 Cb 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1wkr n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wkr n GLY 66 N 0.06 0.77 3.58 5.00 0.00 -1.22 -4.44 105.19 108.93 1wkr n GLY 66 Ca 0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 1wkr n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkr s SER 67 N 1.63 -0.25 0.09 1.61 1.04 -0.45 -0.57 113.70 116.79 1wkr s SER 67 Ca 0.00 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1wkr s SER 67 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1wkr s SER 67 CO 0.00 -0.55 0.31 0.72 0.98 0.00 0.00 173.24 174.70 1wkr s PHE 68 N -2.93 -0.08 0.08 5.02 -0.71 -0.58 -1.38 117.98 117.41 1wkr s PHE 68 Ca 0.08 -0.21 -0.11 0.00 -1.04 0.00 0.00 56.93 55.65 1wkr s PHE 68 Cb -0.01 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.93 1wkr s PHE 68 CO -0.06 -0.60 0.24 -1.54 -1.34 0.00 0.00 175.22 171.92 1wkr s SER 69 N -2.58 0.02 0.00 1.98 1.04 -0.58 -1.37 113.70 112.21 1wkr s SER 69 Ca 0.01 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wkr s SER 69 Cb 0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1wkr s SER 69 CO -0.09 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1wkr n GLY 70 N 0.12 -0.97 3.19 7.32 0.00 0.41 -0.80 105.19 114.46 1wkr n GLY 70 Ca -0.16 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1wkr n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkr s THR 71 N -4.00 1.43 0.01 2.61 2.01 -0.68 -1.04 115.64 115.99 1wkr s THR 71 Ca 0.00 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 1wkr s THR 71 Cb 0.00 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 1wkr s THR 71 CO 0.00 0.29 0.57 -0.70 -0.69 0.00 0.00 174.62 174.09 1wkr s GLU 72 N -0.73 4.26 0.30 4.92 2.56 -0.64 -0.86 118.70 128.51 1wkr s GLU 72 Ca 0.06 0.70 0.05 0.00 0.00 0.00 0.00 54.97 55.78 1wkr s GLU 72 Cb -0.07 -3.31 -0.06 0.00 2.00 0.00 0.00 34.13 32.69 1wkr s GLU 72 CO 0.00 0.46 0.01 0.71 -0.56 0.00 0.00 175.26 175.88 1wkr s TYR 73 N -0.49 1.93 0.10 5.30 1.51 0.07 -2.79 117.35 122.99 1wkr s TYR 73 Ca 0.30 -0.85 0.06 0.00 -1.01 0.00 0.00 57.07 55.56 1wkr s TYR 73 Cb -0.18 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1wkr s TYR 73 CO 0.17 0.12 -0.02 0.95 -1.11 0.00 0.00 175.55 175.66 1wkr s THR 74 N -3.19 3.86 0.19 -0.71 -4.23 -0.17 -0.78 115.64 110.61 1wkr s THR 74 Ca 0.33 -1.09 -0.24 0.00 -1.18 0.00 0.00 61.69 59.51 1wkr s THR 74 Cb 0.07 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1wkr s THR 74 CO 0.13 0.10 0.86 -0.62 -0.54 0.00 0.00 174.62 174.55 1wkr s ASP 75 N -2.35 -0.23 -0.13 3.99 -1.08 -0.46 -0.98 116.67 115.43 1wkr s ASP 75 Ca 0.25 -0.44 -0.24 0.00 -0.52 0.00 0.00 52.55 51.61 1wkr s ASP 75 Cb -0.11 0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 41.89 1wkr s ASP 75 CO 0.17 -1.05 0.74 -0.89 0.52 0.00 0.00 175.17 174.66 1wkr s THR 76 N -3.52 4.98 -0.08 1.71 2.01 -1.26 -0.98 115.64 118.49 1wkr s THR 76 Ca 0.11 1.46 0.03 0.00 0.31 0.00 0.00 61.69 63.60 1wkr s THR 76 Cb -0.03 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1wkr s THR 76 CO 0.03 0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.24 1wkr s VAL 77 N 1.56 2.85 -0.11 3.82 1.01 -0.32 -1.03 120.40 128.17 1wkr s VAL 77 Ca 0.36 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1wkr s VAL 77 Cb -0.17 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1wkr s VAL 77 CO 0.14 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.70 1wkr s THR 78 N -0.17 2.23 -0.29 3.92 2.01 0.47 -0.25 115.64 123.57 1wkr s THR 78 Ca -0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1wkr s THR 78 Cb -0.13 -1.88 0.08 0.00 0.01 0.00 0.00 72.50 70.58 1wkr s THR 78 CO 0.03 0.55 0.02 -0.76 -0.69 0.00 0.00 174.62 173.77 1wkr s LEU 79 N 0.44 3.18 0.00 4.42 1.43 0.06 -1.27 118.68 126.93 1wkr s LEU 79 Ca -0.15 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 1wkr s LEU 79 Cb -0.17 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1wkr s LEU 79 CO 0.06 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1wkr n GLY 80 N 4.58 4.02 0.86 -3.19 0.00 -1.26 -0.97 105.19 109.23 1wkr n GLY 80 Ca -0.04 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1wkr n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wkr n SER 81 N 7.49 2.55 -4.85 1.61 3.41 -1.26 -4.91 113.62 117.66 1wkr n SER 81 Ca 0.00 -1.90 -0.36 0.00 -0.26 0.00 0.00 58.87 56.35 1wkr n SER 81 Cb 0.00 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1wkr n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wkr s LEU 82 N -1.32 4.26 -0.03 1.04 1.43 -0.14 -5.10 118.68 118.82 1wkr s LEU 82 Ca 0.34 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1wkr s LEU 82 Cb 0.19 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1wkr s LEU 82 CO 0.26 0.38 -0.16 -0.89 0.23 0.00 0.00 176.35 176.17 1wkr s THR 83 N -1.06 1.32 -0.33 5.49 2.01 -1.26 -0.76 115.64 121.05 1wkr s THR 83 Ca 0.17 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1wkr s THR 83 Cb -0.12 -1.12 0.09 0.00 0.01 0.00 0.00 72.50 71.36 1wkr s THR 83 CO 0.06 0.38 0.03 -0.63 -0.69 0.00 0.00 174.62 173.77 1wkr s ILE 84 N -0.07 2.24 0.32 1.82 1.01 0.65 -4.99 121.20 122.18 1wkr s ILE 84 Ca -0.01 -2.23 -0.28 0.00 0.00 0.00 0.00 60.65 58.14 1wkr s ILE 84 Cb -0.10 -2.61 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1wkr s ILE 84 CO 0.01 -0.51 1.14 -2.16 0.00 0.00 0.00 174.94 173.42 1wkr s PRO 85 N 0.94 4.46 -1.25 2.79 0.04 -1.26 -1.18 135.00 139.55 1wkr s PRO 85 Ca 0.08 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1wkr s PRO 85 Cb -0.19 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wkr s PRO 85 CO -0.08 0.04 0.20 1.63 0.04 0.00 0.00 177.00 178.83 1wkr n LYS 86 N 0.84 -2.29 -1.93 4.56 5.02 -1.04 -4.93 118.16 118.39 1wkr n LYS 86 Ca 0.00 0.72 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 1wkr n LYS 86 Cb 0.45 -5.08 -0.03 0.00 -0.02 0.00 0.00 35.03 30.35 1wkr n LYS 86 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1wkr s GLN 87 N -5.04 4.21 -0.05 1.97 2.00 -0.15 -4.67 119.66 117.93 1wkr s GLN 87 Ca 0.10 2.36 -0.30 0.00 -2.00 0.00 0.00 55.36 55.52 1wkr s GLN 87 Cb -0.04 -3.17 -0.02 0.00 0.80 0.00 0.00 33.01 30.58 1wkr s GLN 87 CO 0.12 -0.61 1.04 0.45 -0.50 0.00 0.00 175.29 175.79 1wkr s SER 88 N 1.18 7.25 0.10 6.67 0.15 -1.26 -1.35 113.70 126.44 1wkr s SER 88 Ca 0.70 1.65 0.05 0.00 0.70 0.00 0.00 55.95 59.05 1wkr s SER 88 Cb -0.44 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.28 1wkr s SER 88 CO 0.31 -0.41 -0.14 0.27 1.20 0.00 0.00 173.24 174.48 1wkr s ILE 89 N 1.65 1.22 0.21 6.45 -4.36 0.04 -4.67 121.20 121.74 1wkr s ILE 89 Ca 0.51 -1.56 -0.09 0.00 -0.26 0.00 0.00 60.65 59.26 1wkr s ILE 89 Cb -0.21 -1.35 -0.07 0.00 1.25 0.00 0.00 42.46 42.08 1wkr s ILE 89 CO 0.23 -0.35 0.51 -0.83 0.24 0.00 0.00 174.94 174.73 1wkr s GLY 90 N -2.18 2.27 -0.20 6.27 0.00 -0.03 -0.75 107.32 112.70 1wkr s GLY 90 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.43 1wkr s GLY 90 CO 0.02 -0.21 -0.04 0.14 0.00 0.00 0.00 173.10 173.01 1wkr s VAL 91 N -1.78 1.21 0.12 1.40 1.01 -0.04 -1.34 120.40 120.99 1wkr s VAL 91 Ca 0.46 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1wkr s VAL 91 Cb -0.11 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 1wkr s VAL 91 CO 0.22 -0.01 1.02 0.00 0.00 0.00 0.00 175.10 176.33 1wkr s ALA 92 N 1.56 3.29 -0.15 5.51 0.00 0.06 -1.68 121.76 130.34 1wkr s ALA 92 Ca -0.02 0.66 0.20 0.00 0.00 0.00 0.00 51.96 52.80 1wkr s ALA 92 Cb -0.17 -3.31 -0.29 0.00 0.00 0.00 0.00 23.12 19.34 1wkr s ALA 92 CO -0.07 -0.11 0.49 -1.13 0.00 0.00 0.00 175.76 174.94 1wkr n SER 93 N 2.75 0.52 -4.06 0.00 3.41 0.02 -4.77 113.62 111.49 1wkr n SER 93 Ca 0.03 -0.14 -0.20 0.00 -0.26 0.00 0.00 58.87 58.30 1wkr n SER 93 Cb 0.48 1.78 -0.15 0.00 -0.26 0.00 0.00 64.21 66.06 1wkr n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wkr s ARG 94 N -3.30 0.91 -0.08 4.33 1.81 -0.71 -5.01 118.95 116.89 1wkr s ARG 94 Ca -0.05 -0.42 -0.28 0.00 -1.72 0.00 0.00 55.73 53.25 1wkr s ARG 94 Cb 0.13 -0.88 0.07 0.00 -0.45 0.00 0.00 34.95 33.81 1wkr s ARG 94 CO 0.82 0.24 0.65 0.16 -0.68 0.00 0.00 175.30 176.49 1wkr s ASP 95 N -0.32 -0.63 -0.02 0.23 -4.77 -1.26 -1.52 116.67 108.38 1wkr s ASP 95 Ca 0.04 0.77 -0.02 0.00 -3.30 0.00 0.00 52.55 50.05 1wkr s ASP 95 Cb -0.05 0.66 0.01 0.00 -1.09 0.00 0.00 42.92 42.45 1wkr s ASP 95 CO -0.00 -0.53 0.05 -0.44 0.70 0.00 0.00 175.17 174.95 1wkr s SER 96 N -0.94 -0.05 0.00 2.11 0.01 -0.48 -4.91 113.70 109.44 1wkr s SER 96 Ca -0.09 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wkr s SER 96 Cb -0.01 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1wkr s SER 96 CO 0.08 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1wkr n GLY 97 N 3.08 0.79 0.94 3.44 0.00 -1.26 -1.34 105.19 110.84 1wkr n GLY 97 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1wkr n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wkr n PHE 98 N -2.06 0.89 -1.64 1.61 3.72 -1.26 -4.90 117.46 113.81 1wkr n PHE 98 Ca 0.00 -1.29 -0.45 0.00 -0.05 0.00 0.00 57.45 55.65 1wkr n PHE 98 Cb 0.00 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.13 1wkr n PHE 98 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wkr n ASP 99 N -0.95 2.24 0.00 4.37 8.00 -1.26 -2.23 116.55 126.71 1wkr n ASP 99 Ca 0.27 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.93 1wkr n ASP 99 Cb 0.94 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1wkr n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wkr n GLY 100 N 1.76 1.01 3.13 0.44 0.00 -1.26 -5.04 105.19 105.23 1wkr n GLY 100 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1wkr n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wkr s VAL 101 N -2.74 0.17 -0.48 1.61 -7.23 -0.95 -5.05 120.40 105.73 1wkr s VAL 101 Ca 0.00 -1.81 0.24 0.00 -1.81 0.00 0.00 61.98 58.60 1wkr s VAL 101 Cb 0.00 -1.73 0.20 0.00 0.56 0.00 0.00 36.38 35.41 1wkr s VAL 101 CO 0.00 -0.75 1.45 0.44 -0.31 0.00 0.00 175.10 175.93 1wkr h ASP 102 N 3.00 0.00 0.00 4.85 3.32 -1.26 -3.37 116.42 122.96 1wkr h ASP 102 Ca -0.34 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1wkr h ASP 102 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1wkr h ASP 102 CO 0.62 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1wkr n GLY 103 N 1.20 -0.36 3.21 2.75 0.00 -1.25 -1.34 105.19 109.39 1wkr n GLY 103 Ca 0.03 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1wkr n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wkr s ILE 104 N -3.43 1.57 -0.48 -0.61 1.01 -0.59 -0.71 121.20 117.96 1wkr s ILE 104 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 1wkr s ILE 104 Cb 0.00 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.20 1wkr s ILE 104 CO 0.00 0.39 0.58 -0.22 0.00 0.00 0.00 174.94 175.70 1wkr s LEU 105 N -0.60 4.91 -0.60 2.97 2.96 0.40 -1.25 118.68 127.47 1wkr s LEU 105 Ca 0.07 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.96 1wkr s LEU 105 Cb -0.08 -2.46 0.07 0.00 0.50 0.00 0.00 46.19 44.22 1wkr s LEU 105 CO -0.00 -0.81 0.85 -0.83 -1.32 0.00 0.00 176.35 174.24 1wkr s GLY 106 N 2.43 1.52 -0.08 7.98 0.00 -1.24 -1.85 107.32 116.08 1wkr s GLY 106 Ca 0.15 -1.78 0.11 0.00 0.00 0.00 0.00 44.72 43.21 1wkr s GLY 106 CO 0.13 1.87 1.16 3.33 0.00 0.00 0.00 173.10 179.59 1wkr n VAL 107 N 5.86 1.55 -0.84 1.40 0.24 -0.57 -4.36 118.33 121.61 1wkr n VAL 107 Ca -0.04 -1.64 -0.29 0.00 -2.04 0.00 0.00 64.34 60.33 1wkr n VAL 107 Cb 0.45 0.09 0.24 0.00 -1.47 0.00 0.00 33.84 33.15 1wkr n VAL 107 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wkr s GLY 108 N -1.88 1.53 0.46 7.63 0.00 0.51 -4.71 107.32 110.86 1wkr s GLY 108 Ca 0.22 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 44.10 1wkr s GLY 108 CO 0.05 0.20 1.16 -4.14 0.00 0.00 0.00 173.10 170.36 1wkr s PRO 109 N -5.03 3.75 0.59 2.90 0.02 -1.26 -4.72 135.00 131.25 1wkr s PRO 109 Ca 0.69 1.75 0.29 0.00 0.02 0.00 0.00 61.00 63.75 1wkr s PRO 109 Cb -0.16 -2.39 1.78 0.00 0.02 0.00 0.00 34.50 33.76 1wkr s PRO 109 CO 0.59 -0.56 2.23 -0.24 -0.33 0.00 0.00 177.00 178.69 1wkr h VAL 110 N 1.84 0.54 -0.06 3.83 3.04 -1.91 -2.38 116.25 121.17 1wkr h VAL 110 Ca -0.49 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.21 1wkr h VAL 110 Cb 1.25 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1wkr h VAL 110 CO 0.60 0.00 0.10 -2.24 -1.01 0.00 0.00 177.57 175.02 1wkr h ASP 111 N 0.00 0.00 0.68 3.17 2.03 -1.91 -0.38 116.42 120.01 1wkr h ASP 111 Ca 0.01 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 1wkr h ASP 111 Cb 0.06 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1wkr h ASP 111 CO -0.00 0.00 -0.13 -0.07 -1.03 0.00 0.00 179.24 178.01 1wkr h LEU 112 N 0.00 0.00 -0.88 0.15 3.38 -1.65 -2.79 115.31 113.52 1wkr h LEU 112 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wkr h LEU 112 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wkr h LEU 112 CO -0.00 0.13 0.00 0.71 0.09 0.00 0.00 178.44 179.37 1wkr h THR 113 N 0.00 0.00 -2.78 0.22 1.35 -1.27 -3.44 112.91 106.99 1wkr h THR 113 Ca -0.00 -0.61 -0.54 0.00 -0.55 0.00 0.00 66.41 64.71 1wkr h THR 113 Cb 0.50 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1wkr h THR 113 CO 0.02 0.00 0.94 -0.69 -0.25 0.00 0.00 175.52 175.54 1wkr s VAL 114 N -3.46 3.56 0.00 6.82 1.01 -1.05 -1.81 120.40 125.46 1wkr s VAL 114 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1wkr s VAL 114 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wkr s VAL 114 CO 0.56 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1wkr n GLY 115 N 3.85 1.04 0.16 4.51 0.00 -0.56 -4.95 105.19 109.23 1wkr n GLY 115 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1wkr n GLY 115 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wkr h THR 116 N 0.00 0.40 -3.21 2.61 1.35 -1.59 -3.46 112.91 109.01 1wkr h THR 116 Ca 0.00 -1.60 -0.57 0.00 -0.55 0.00 0.00 66.41 63.69 1wkr h THR 116 Cb 0.00 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 1wkr h THR 116 CO 0.00 0.23 -0.27 -0.76 -0.25 0.00 0.00 175.52 174.47 1wkr s LEU 117 N -6.17 4.26 -0.02 3.87 1.43 -1.26 -1.17 118.68 119.61 1wkr s LEU 117 Ca 0.04 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1wkr s LEU 117 Cb 0.07 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1wkr s LEU 117 CO 0.73 0.04 0.01 -0.55 0.23 0.00 0.00 176.35 176.81 1wkr s SER 118 N -2.36 0.23 0.00 2.29 0.15 -0.23 -3.26 113.70 110.52 1wkr s SER 118 Ca 0.41 0.01 0.26 0.00 0.70 0.00 0.00 55.95 57.33 1wkr s SER 118 Cb -0.12 -0.14 1.06 0.00 -1.71 0.00 0.00 66.02 65.11 1wkr s SER 118 CO 0.23 -0.11 1.74 -0.81 1.20 0.00 0.00 173.24 175.50 1wkr n PRO 119 N 4.10 1.58 -2.82 5.44 -0.04 -1.26 -0.64 135.00 141.37 1wkr n PRO 119 Ca -0.27 -0.85 -0.44 0.00 -0.04 0.00 0.00 63.50 61.90 1wkr n PRO 119 Cb 0.51 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1wkr n PRO 119 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wkr n HIS 120 N 0.05 4.46 0.86 0.54 8.25 -1.25 -4.76 115.22 123.36 1wkr n HIS 120 Ca 0.18 -3.23 0.13 0.00 -0.26 0.00 0.00 57.72 54.54 1wkr n HIS 120 Cb 0.31 -2.10 0.54 0.00 1.12 0.00 0.00 29.99 29.86 1wkr n HIS 120 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wkr n THR 121 N 4.17 0.25 0.26 1.59 -2.24 -1.20 -2.08 114.28 115.03 1wkr n THR 121 Ca 0.37 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.25 1wkr n THR 121 Cb 0.41 -0.60 0.17 0.00 -2.10 0.00 0.00 70.33 68.21 1wkr n THR 121 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wkr n SER 122 N -1.63 3.10 -4.78 3.42 3.41 -1.26 -1.50 113.62 114.39 1wkr n SER 122 Ca 0.06 -1.90 -0.38 0.00 -0.26 0.00 0.00 58.87 56.39 1wkr n SER 122 Cb 0.33 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1wkr n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wkr s THR 123 N -1.31 5.13 0.48 6.66 2.01 -0.88 -4.82 115.64 122.91 1wkr s THR 123 Ca 0.31 0.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.11 1wkr s THR 123 Cb 0.19 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1wkr s THR 123 CO 0.26 0.46 0.76 -0.94 -0.69 0.00 0.00 174.62 174.46 1wkr s SER 124 N -0.20 6.02 -0.42 3.53 1.04 -1.26 -4.32 113.70 118.09 1wkr s SER 124 Ca 0.23 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1wkr s SER 124 Cb -0.15 -1.95 0.12 0.00 0.10 0.00 0.00 66.02 64.14 1wkr s SER 124 CO 0.11 -0.68 0.18 -0.63 0.98 0.00 0.00 173.24 173.19 1wkr s ILE 125 N -2.71 1.87 0.13 -1.02 1.01 -1.26 -5.01 121.20 114.21 1wkr s ILE 125 Ca 0.48 -2.53 -0.34 0.00 0.00 0.00 0.00 60.65 58.26 1wkr s ILE 125 Cb -0.10 -2.33 -0.17 0.00 0.01 0.00 0.00 42.46 39.86 1wkr s ILE 125 CO 0.42 -0.76 0.99 -2.65 0.00 0.00 0.00 174.94 172.95 1wkr n PRO 126 N 3.81 0.57 -2.13 2.79 -0.02 -1.26 -4.91 135.00 133.84 1wkr n PRO 126 Ca 0.05 0.20 -0.27 0.00 -2.02 0.00 0.00 63.50 61.46 1wkr n PRO 126 Cb 0.37 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.34 1wkr n PRO 126 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wkr s THR 127 N -0.32 2.19 0.27 3.45 -4.23 -1.26 -4.70 115.64 111.04 1wkr s THR 127 Ca 0.76 -0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 61.06 1wkr s THR 127 Cb -0.99 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.12 1wkr s THR 127 CO 0.54 0.00 1.82 -0.37 -0.54 0.00 0.00 174.62 176.07 1wkr h VAL 128 N -0.77 0.89 -0.27 2.29 -1.51 -1.92 -0.05 116.25 114.92 1wkr h VAL 128 Ca -0.44 -0.30 -0.05 0.00 -1.23 0.00 0.00 66.70 64.67 1wkr h VAL 128 Cb 1.31 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1wkr h VAL 128 CO 0.59 0.16 -0.04 0.74 -1.23 0.00 0.00 177.57 177.80 1wkr h THR 129 N 0.88 1.27 -0.63 7.19 2.02 -1.92 -0.97 112.91 120.74 1wkr h THR 129 Ca 0.46 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1wkr h THR 129 Cb 0.47 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1wkr h THR 129 CO -0.27 0.32 0.35 0.44 0.37 0.00 0.00 175.52 176.73 1wkr h ASP 130 N 0.27 0.53 -0.33 4.18 3.32 -1.77 -2.05 116.42 120.57 1wkr h ASP 130 Ca 0.07 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1wkr h ASP 130 Cb 0.49 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1wkr h ASP 130 CO 0.02 0.35 -0.26 0.78 -1.72 0.00 0.00 179.24 178.41 1wkr h ASN 131 N 0.66 0.80 -0.98 6.45 2.35 -0.85 0.29 115.58 124.29 1wkr h ASN 131 Ca 0.28 -0.45 0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1wkr h ASN 131 Cb 0.15 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 1wkr h ASN 131 CO -0.17 1.08 0.61 -0.07 -1.65 0.00 0.00 177.43 177.24 1wkr h LEU 132 N 0.53 0.90 0.00 1.61 3.38 -1.02 -0.87 115.31 119.83 1wkr h LEU 132 Ca 0.06 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1wkr h LEU 132 Cb 0.83 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1wkr h LEU 132 CO 0.07 0.47 -0.34 0.15 0.09 0.00 0.00 178.44 178.88 1wkr h PHE 133 N 0.97 0.34 0.00 1.13 3.57 -1.11 -1.46 116.94 120.38 1wkr h PHE 133 Ca 0.49 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1wkr h PHE 133 Cb 0.48 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wkr h PHE 133 CO -0.01 1.00 -0.29 0.66 -2.23 0.00 0.00 178.31 177.44 1wkr h SER 134 N -0.41 0.00 0.18 0.41 4.64 -0.73 -1.26 113.55 116.38 1wkr h SER 134 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1wkr h SER 134 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1wkr h SER 134 CO 0.07 0.29 -0.02 0.00 -0.87 0.00 0.00 176.83 176.29 1wkr n GLN 135 N -3.54 0.92 -0.37 4.77 10.64 -0.35 -4.91 117.38 124.53 1wkr n GLN 135 Ca -0.00 -0.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 1wkr n GLN 135 Cb 0.44 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 1wkr n GLN 135 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wkr n GLY 136 N 1.13 0.74 0.12 2.61 0.00 -0.48 -4.98 105.19 104.33 1wkr n GLY 136 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1wkr n GLY 136 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wkr h THR 137 N 0.00 1.51 -3.28 2.61 2.02 -1.47 -3.45 112.91 110.86 1wkr h THR 137 Ca 0.00 -2.21 -0.65 0.00 0.77 0.00 0.00 66.41 64.32 1wkr h THR 137 Cb 0.00 2.88 -0.11 0.00 -1.74 0.00 0.00 68.15 69.19 1wkr h THR 137 CO 0.00 0.62 -0.63 0.27 0.37 0.00 0.00 175.52 176.15 1wkr s ILE 138 N -2.88 4.26 -0.56 3.11 -4.36 -1.04 -0.19 121.20 119.55 1wkr s ILE 138 Ca -0.14 -0.84 0.24 0.00 -0.26 0.00 0.00 60.65 59.65 1wkr s ILE 138 Cb 0.02 -3.02 0.22 0.00 1.25 0.00 0.00 42.46 40.93 1wkr s ILE 138 CO 0.80 0.16 1.54 1.55 0.24 0.00 0.00 174.94 179.23 1wkr h PRO 139 N 3.50 0.00 -3.57 0.37 0.13 -1.87 -3.43 132.00 127.13 1wkr h PRO 139 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1wkr h PRO 139 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1wkr h PRO 139 CO 0.62 0.00 -0.26 -0.08 -0.23 0.00 0.00 178.00 178.05 1wkr s THR 140 N -3.18 0.11 -0.92 1.56 -1.32 -1.26 -5.09 115.64 105.53 1wkr s THR 140 Ca 0.07 -0.89 -0.18 0.00 -1.21 0.00 0.00 61.69 59.49 1wkr s THR 140 Cb 0.10 -1.18 0.15 0.00 -1.51 0.00 0.00 72.50 70.05 1wkr s THR 140 CO 0.67 -0.49 1.08 0.21 -2.21 0.00 0.00 174.62 173.88 1wkr s ASN 141 N -2.64 6.67 -0.04 8.08 3.84 -1.26 -4.24 114.94 125.35 1wkr s ASN 141 Ca 0.02 -2.18 -0.23 0.00 0.21 0.00 0.00 52.86 50.68 1wkr s ASN 141 Cb 0.03 -2.37 0.05 0.00 -0.55 0.00 0.00 41.25 38.40 1wkr s ASN 141 CO -0.09 -0.98 0.51 -0.22 -2.79 0.00 0.00 177.10 173.53 1wkr s LEU 142 N 2.25 0.03 -0.03 3.21 0.20 -1.26 -0.83 118.68 122.25 1wkr s LEU 142 Ca 0.31 0.47 0.03 0.00 0.69 0.00 0.00 54.13 55.62 1wkr s LEU 142 Cb -0.06 1.95 0.00 0.00 -0.43 0.00 0.00 46.19 47.66 1wkr s LEU 142 CO -0.09 -0.52 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.13 1wkr s LEU 143 N -1.17 1.78 -0.05 -0.68 2.96 -0.51 -0.76 118.68 120.25 1wkr s LEU 143 Ca -0.11 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1wkr s LEU 143 Cb -0.02 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1wkr s LEU 143 CO 0.07 0.07 -0.21 0.00 -1.32 0.00 0.00 176.35 174.96 1wkr s ALA 144 N 0.22 1.84 -0.10 5.97 0.00 0.04 -0.23 121.76 129.50 1wkr s ALA 144 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1wkr s ALA 144 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1wkr s ALA 144 CO 0.01 0.34 -0.20 0.08 0.00 0.00 0.00 175.76 175.99 1wkr s VAL 145 N -0.02 1.76 -0.28 0.00 1.01 0.24 -0.71 120.40 122.40 1wkr s VAL 145 Ca -0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1wkr s VAL 145 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1wkr s VAL 145 CO 0.03 0.49 0.06 -0.55 0.00 0.00 0.00 175.10 175.13 1wkr s SER 146 N 0.61 4.98 0.26 3.32 0.15 0.10 -2.23 113.70 120.89 1wkr s SER 146 Ca -0.14 -0.65 0.09 0.00 0.70 0.00 0.00 55.95 55.95 1wkr s SER 146 Cb -0.17 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1wkr s SER 146 CO 0.04 -0.16 0.02 -0.36 1.20 0.00 0.00 173.24 173.99 1wkr s PHE 147 N 1.49 2.76 0.03 3.44 0.08 -1.26 -0.81 117.98 123.72 1wkr s PHE 147 Ca 0.03 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 56.83 1wkr s PHE 147 Cb -0.17 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1wkr s PHE 147 CO 0.01 0.60 0.06 -1.21 -0.10 0.00 0.00 175.22 174.59 1wkr s GLU 148 N -3.67 0.54 0.90 0.44 2.02 -1.26 -4.56 118.70 113.12 1wkr s GLU 148 Ca 0.31 -0.77 -0.10 0.00 0.02 0.00 0.00 54.97 54.43 1wkr s GLU 148 Cb -0.07 0.21 0.14 0.00 0.10 0.00 0.00 34.13 34.51 1wkr s GLU 148 CO 0.21 -0.13 1.14 -2.14 0.02 0.00 0.00 175.26 174.36 1wkr s PRO 149 N -2.52 1.13 0.07 0.39 0.02 -1.23 -4.86 135.00 127.99 1wkr s PRO 149 Ca -0.06 1.49 0.02 0.00 0.02 0.00 0.00 61.00 62.48 1wkr s PRO 149 Cb -0.02 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 1wkr s PRO 149 CO -0.04 -2.53 -0.08 -0.08 -0.33 0.00 0.00 177.00 173.93 1wkr s THR 150 N -2.68 0.65 -0.06 0.99 -1.32 -1.26 -5.01 115.64 106.96 1wkr s THR 150 Ca 0.66 -1.40 0.08 0.00 -1.21 0.00 0.00 61.69 59.83 1wkr s THR 150 Cb -0.22 -1.02 0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1wkr s THR 150 CO 0.58 -0.53 1.05 0.35 -2.21 0.00 0.00 174.62 173.85 1wkr n THR 151 N 0.93 0.83 -4.40 5.08 -2.24 -1.26 -4.82 114.28 108.39 1wkr n THR 151 Ca -0.19 -0.99 -0.20 0.00 -2.27 0.00 0.00 64.05 60.40 1wkr n THR 151 Cb 0.57 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 1wkr n THR 151 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wkr s SER 152 N -1.77 2.46 0.32 3.42 0.01 -1.26 -4.93 113.70 111.94 1wkr s SER 152 Ca 0.14 -1.21 0.15 0.00 1.31 0.00 0.00 55.95 56.33 1wkr s SER 152 Cb 0.12 -0.11 0.48 0.00 0.21 0.00 0.00 66.02 66.72 1wkr s SER 152 CO 0.01 -0.42 1.65 -0.33 0.41 0.00 0.00 173.24 174.57 1wkr h GLU 153 N 2.32 0.00 -2.06 12.44 4.39 -1.98 -3.41 114.58 126.28 1wkr h GLU 153 Ca -0.40 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.06 1wkr h GLU 153 Cb 1.23 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.56 1wkr h GLU 153 CO 0.67 0.50 -0.57 0.45 -1.16 0.00 0.00 179.01 178.90 1wkr s SER 154 N -6.61 0.97 -0.14 1.42 0.15 -1.26 -4.49 113.70 103.74 1wkr s SER 154 Ca -0.00 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1wkr s SER 154 Cb 0.11 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.22 1wkr s SER 154 CO 0.73 -0.35 -0.16 -0.44 1.20 0.00 0.00 173.24 174.22 1wkr s SER 155 N 2.44 2.72 -1.23 5.45 0.01 -1.05 -4.97 113.70 117.08 1wkr s SER 155 Ca 0.10 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.68 1wkr s SER 155 Cb -0.14 -1.21 0.09 0.00 0.21 0.00 0.00 66.02 64.97 1wkr s SER 155 CO -0.24 -0.02 1.60 -0.89 0.41 0.00 0.00 173.24 174.10 1wkr s THR 156 N 1.30 4.33 -0.03 1.44 2.01 -1.26 -0.44 115.64 123.00 1wkr s THR 156 Ca 0.02 -1.92 0.04 0.00 0.31 0.00 0.00 61.69 60.14 1wkr s THR 156 Cb -0.13 -5.10 0.06 0.00 0.01 0.00 0.00 72.50 67.34 1wkr s THR 156 CO -0.08 -1.90 0.97 -0.46 -0.69 0.00 0.00 174.62 172.45 1wkr n ASN 157 N 7.75 1.73 -4.70 3.53 0.23 -1.09 -4.90 115.26 117.81 1wkr n ASN 157 Ca 0.43 -2.11 -0.30 0.00 -0.53 0.00 0.00 54.58 52.07 1wkr n ASN 157 Cb 0.46 -0.10 -0.09 0.00 -2.08 0.00 0.00 39.78 37.97 1wkr n ASN 157 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1wkr s GLY 158 N -1.28 2.76 -0.21 4.83 0.00 -0.38 -4.40 107.32 108.64 1wkr s GLY 158 Ca 0.07 -1.31 -0.18 0.00 0.00 0.00 0.00 44.72 43.29 1wkr s GLY 158 CO 0.01 -2.14 0.55 1.85 0.00 0.00 0.00 173.10 173.37 1wkr s GLU 159 N -3.82 0.63 -0.13 2.90 2.12 0.01 -1.13 118.70 119.28 1wkr s GLU 159 Ca 0.21 0.78 -0.04 0.00 0.36 0.00 0.00 54.97 56.27 1wkr s GLU 159 Cb 0.05 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 1wkr s GLU 159 CO 0.11 -0.08 0.01 -0.51 -0.54 0.00 0.00 175.26 174.25 1wkr s LEU 160 N 0.39 3.57 -0.14 2.70 1.02 -0.29 -0.73 118.68 125.20 1wkr s LEU 160 Ca -0.01 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1wkr s LEU 160 Cb -0.04 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.33 1wkr s LEU 160 CO -0.01 0.26 -0.15 -0.89 0.02 0.00 0.00 176.35 175.58 1wkr s THR 161 N -0.17 1.61 -0.27 5.49 2.01 0.11 -0.86 115.64 123.57 1wkr s THR 161 Ca 0.05 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1wkr s THR 161 Cb -0.12 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1wkr s THR 161 CO 0.02 0.46 0.27 -0.36 -0.69 0.00 0.00 174.62 174.32 1wkr s PHE 162 N 1.28 3.25 0.00 4.92 0.08 0.05 -0.78 117.98 126.78 1wkr s PHE 162 Ca 0.01 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1wkr s PHE 162 Cb -0.14 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1wkr s PHE 162 CO -0.07 -0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 1wkr n GLY 163 N 4.77 0.59 3.72 4.36 0.00 0.06 -2.21 105.19 116.47 1wkr n GLY 163 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1wkr n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkr s ALA 164 N -2.34 -1.59 0.26 4.61 0.00 -1.26 -4.17 121.76 117.26 1wkr s ALA 164 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.19 1wkr s ALA 164 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1wkr s ALA 164 CO 0.00 -0.98 0.39 0.95 0.00 0.00 0.00 175.76 176.12 1wkr s THR 165 N -3.42 5.18 -0.32 0.00 -4.23 -1.26 -4.34 115.64 107.25 1wkr s THR 165 Ca 0.10 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1wkr s THR 165 Cb -0.02 -3.84 0.09 0.00 1.34 0.00 0.00 72.50 70.07 1wkr s THR 165 CO 0.01 -0.35 0.02 -0.62 -0.54 0.00 0.00 174.62 173.14 1wkr s ASP 166 N -4.00 4.59 0.00 3.99 -1.08 -1.26 -5.00 116.67 113.92 1wkr s ASP 166 Ca 0.35 -1.94 0.11 0.00 -0.52 0.00 0.00 52.55 50.56 1wkr s ASP 166 Cb -0.09 -1.51 0.48 0.00 -1.46 0.00 0.00 42.92 40.33 1wkr s ASP 166 CO 0.30 -0.35 1.35 -1.54 0.52 0.00 0.00 175.17 175.45 1wkr n SER 167 N 4.36 0.00 0.00 -0.34 3.41 -1.26 -1.35 113.62 118.44 1wkr n SER 167 Ca -0.00 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 1wkr n SER 167 Cb 0.42 -0.49 0.51 0.00 -0.26 0.00 0.00 64.21 64.39 1wkr n SER 167 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wkr n SER 168 N -1.49 0.00 -0.74 4.04 3.41 -1.26 -3.28 113.62 114.29 1wkr n SER 168 Ca 0.03 0.37 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1wkr n SER 168 Cb 0.13 -0.45 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1wkr n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wkr n LYS 169 N -1.45 1.80 -3.85 4.33 4.76 -0.46 -4.99 118.16 118.30 1wkr n LYS 169 Ca 0.07 -1.76 -0.09 0.00 -2.87 0.00 0.00 58.31 53.66 1wkr n LYS 169 Cb 0.25 -1.33 -0.08 0.00 -1.84 0.00 0.00 35.03 32.03 1wkr n LYS 169 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1wkr s TYR 170 N -1.21 0.13 0.28 2.13 -0.85 -1.21 -4.69 117.35 111.93 1wkr s TYR 170 Ca 0.24 -0.50 0.09 0.00 -0.52 0.00 0.00 57.07 56.38 1wkr s TYR 170 Cb 0.15 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1wkr s TYR 170 CO 0.21 -0.51 0.01 0.95 -1.52 0.00 0.00 175.55 174.69 1wkr s THR 171 N -3.51 3.38 0.00 -3.49 -4.23 -0.03 -4.88 115.64 102.88 1wkr s THR 171 Ca 0.02 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1wkr s THR 171 Cb 0.03 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1wkr s THR 171 CO -0.09 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1wkr n GLY 172 N -0.92 1.81 3.57 3.99 0.00 -1.26 -3.99 105.19 108.39 1wkr n GLY 172 Ca -0.06 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1wkr n GLY 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkr s SER 173 N -4.00 3.89 -0.05 1.61 1.04 -1.26 -5.03 113.70 109.90 1wkr s SER 173 Ca 0.00 -1.08 -0.22 0.00 0.48 0.00 0.00 55.95 55.12 1wkr s SER 173 Cb 0.00 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 1wkr s SER 173 CO 0.00 -0.17 0.66 -0.63 0.98 0.00 0.00 173.24 174.08 1wkr s ILE 174 N -2.55 5.01 -0.19 -1.02 1.01 -1.26 -4.63 121.20 117.55 1wkr s ILE 174 Ca 0.33 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 62.24 1wkr s ILE 174 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1wkr s ILE 174 CO 0.17 0.30 0.19 -0.89 0.00 0.00 0.00 174.94 174.71 1wkr s THR 175 N 0.51 5.37 0.13 2.92 2.01 -0.03 -4.90 115.64 121.64 1wkr s THR 175 Ca 0.35 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.70 1wkr s THR 175 Cb -0.18 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1wkr s THR 175 CO 0.18 0.41 0.08 -0.31 -0.69 0.00 0.00 174.62 174.29 1wkr s TYR 176 N 0.47 3.11 -0.02 4.92 2.02 -1.26 -1.05 117.35 125.54 1wkr s TYR 176 Ca 0.11 0.00 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1wkr s TYR 176 Cb -0.12 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1wkr s TYR 176 CO 0.00 0.51 0.07 -0.08 -1.57 0.00 0.00 175.55 174.49 1wkr s THR 177 N -1.56 0.02 0.64 -0.71 -1.32 -0.36 -4.69 115.64 107.66 1wkr s THR 177 Ca 0.29 -0.19 -0.17 0.00 -1.21 0.00 0.00 61.69 60.42 1wkr s THR 177 Cb -0.11 -0.16 -0.01 0.00 -1.51 0.00 0.00 72.50 70.71 1wkr s THR 177 CO 0.22 -0.10 1.17 -2.84 -2.21 0.00 0.00 174.62 170.85 1wkr s PRO 178 N -0.30 2.77 0.27 7.08 0.02 -1.26 -1.18 135.00 142.40 1wkr s PRO 178 Ca -0.04 1.66 -0.31 0.00 0.02 0.00 0.00 61.00 62.34 1wkr s PRO 178 Cb -0.02 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.45 1wkr s PRO 178 CO 0.00 -1.32 1.48 -0.89 -0.33 0.00 0.00 177.00 175.94 1wkr n ILE 179 N -2.05 1.04 -1.87 2.83 2.08 -0.67 -4.71 119.36 116.00 1wkr n ILE 179 Ca 0.12 -0.26 -0.37 0.00 0.56 0.00 0.00 62.75 62.81 1wkr n ILE 179 Cb 0.51 -1.68 0.05 0.00 -0.75 0.00 0.00 39.64 37.77 1wkr n ILE 179 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1wkr s THR 180 N -0.09 2.30 -0.96 1.39 -1.32 -0.21 -4.91 115.64 111.83 1wkr s THR 180 Ca 0.66 0.20 0.28 0.00 -1.21 0.00 0.00 61.69 61.61 1wkr s THR 180 Cb -0.58 -3.09 0.20 0.00 -1.51 0.00 0.00 72.50 67.52 1wkr s THR 180 CO 0.50 -0.03 1.82 -1.54 -2.21 0.00 0.00 174.62 173.16 1wkr n SER 181 N -1.53 0.18 -4.69 8.08 3.41 -1.26 -4.34 113.62 113.47 1wkr n SER 181 Ca 0.13 0.38 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 1wkr n SER 181 Cb 0.48 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1wkr n SER 181 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wkr s THR 182 N -3.01 4.91 0.18 6.66 2.01 -1.26 -4.89 115.64 120.24 1wkr s THR 182 Ca 0.13 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.73 1wkr s THR 182 Cb 0.18 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1wkr s THR 182 CO 0.57 0.11 0.53 -0.55 -0.69 0.00 0.00 174.62 174.59 1wkr s SER 183 N 1.02 6.71 0.00 3.53 0.15 -1.26 -0.98 113.70 122.87 1wkr s SER 183 Ca 0.42 0.97 0.28 0.00 0.70 0.00 0.00 55.95 58.33 1wkr s SER 183 Cb -0.18 -2.25 1.07 0.00 -1.71 0.00 0.00 66.02 62.95 1wkr s SER 183 CO 0.18 0.03 1.75 -0.81 1.20 0.00 0.00 173.24 175.60 1wkr n PRO 184 N 0.40 1.63 0.00 5.44 -0.04 -1.18 -4.32 135.00 136.93 1wkr n PRO 184 Ca -0.03 -0.93 0.19 0.00 -0.04 0.00 0.00 63.50 62.69 1wkr n PRO 184 Cb 0.52 -1.48 0.67 0.00 -0.04 0.00 0.00 33.50 33.17 1wkr n PRO 184 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wkr h ALA 185 N 4.33 2.44 0.00 0.55 0.00 -1.22 -1.58 119.26 123.77 1wkr h ALA 185 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wkr h ALA 185 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wkr h ALA 185 CO 0.00 -0.58 0.00 0.66 0.00 0.00 0.00 179.25 179.33 1wkr h SER 186 N 0.03 0.00 1.71 0.00 4.64 -1.25 -1.51 113.55 117.17 1wkr h SER 186 Ca 0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1wkr h SER 186 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1wkr h SER 186 CO -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.83 1wkr h ALA 187 N 2.01 0.93 -3.49 5.18 0.00 -1.58 -3.45 119.26 118.87 1wkr h ALA 187 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wkr h ALA 187 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wkr h ALA 187 CO 0.00 0.15 0.00 0.66 0.00 0.00 0.00 179.25 180.06 1wkr n TYR 188 N -3.14 -1.26 -2.30 0.00 4.02 -0.57 -4.51 117.16 109.39 1wkr n TYR 188 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 1wkr n TYR 188 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1wkr n TYR 188 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1wkr n TRP 189 N -0.42 4.21 -3.70 -0.72 7.02 -1.26 -4.83 117.44 117.73 1wkr n TRP 189 Ca 0.00 -2.93 -0.37 0.00 -1.02 0.00 0.00 57.50 53.18 1wkr n TRP 189 Cb 0.00 -2.54 -0.06 0.00 -2.42 0.00 0.00 31.31 26.29 1wkr n TRP 189 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1wkr s GLY 190 N 3.58 2.25 0.19 6.99 0.00 -1.21 -1.38 107.32 117.73 1wkr s GLY 190 Ca 0.50 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1wkr s GLY 190 CO 0.01 -0.05 0.03 -0.26 0.00 0.00 0.00 173.10 172.83 1wkr s ILE 191 N -0.65 0.60 -0.08 0.90 -4.36 -0.08 -1.04 121.20 116.47 1wkr s ILE 191 Ca 0.17 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 1wkr s ILE 191 Cb -0.13 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 1wkr s ILE 191 CO 0.06 -0.36 0.25 0.20 0.24 0.00 0.00 174.94 175.33 1wkr s ASN 192 N -3.19 6.54 0.23 4.36 0.02 -1.26 -1.46 114.94 120.18 1wkr s ASN 192 Ca 0.27 0.64 -0.15 0.00 -1.02 0.00 0.00 52.86 52.60 1wkr s ASN 192 Cb 0.07 -2.15 0.01 0.00 0.02 0.00 0.00 41.25 39.20 1wkr s ASN 192 CO 0.06 0.34 0.52 0.00 0.02 0.00 0.00 177.10 178.04 1wkr s GLN 193 N -0.85 1.51 0.28 -0.60 -2.07 -0.30 -4.62 119.66 113.01 1wkr s GLN 193 Ca 0.18 -1.08 0.08 0.00 -1.82 0.00 0.00 55.36 52.72 1wkr s GLN 193 Cb -0.14 0.50 -0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1wkr s GLN 193 CO 0.07 -0.64 -0.09 -1.54 -1.32 0.00 0.00 175.29 171.77 1wkr s SER 194 N -2.95 2.92 -0.03 12.60 1.04 -1.03 -1.40 113.70 124.85 1wkr s SER 194 Ca 0.16 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1wkr s SER 194 Cb -0.01 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1wkr s SER 194 CO 0.04 -0.27 -0.05 -0.63 0.98 0.00 0.00 173.24 173.32 1wkr s ILE 195 N -2.91 0.51 0.16 -1.02 1.01 -0.28 -1.17 121.20 117.50 1wkr s ILE 195 Ca 0.29 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1wkr s ILE 195 Cb 0.02 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1wkr s ILE 195 CO 0.12 0.20 -0.15 0.00 0.00 0.00 0.00 174.94 175.11 1wkr s ARG 196 N 0.64 1.19 -0.20 2.79 1.70 -0.34 -1.46 118.95 123.27 1wkr s ARG 196 Ca -0.08 -1.42 -0.03 0.00 -0.47 0.00 0.00 55.73 53.73 1wkr s ARG 196 Cb -0.12 -1.06 -0.01 0.00 -0.57 0.00 0.00 34.95 33.19 1wkr s ARG 196 CO 0.00 0.19 -0.05 -0.47 -1.08 0.00 0.00 175.30 173.89 1wkr s TYR 197 N -2.50 2.95 0.00 5.89 5.04 0.63 -0.35 117.35 129.01 1wkr s TYR 197 Ca 0.16 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 1wkr s TYR 197 Cb -0.03 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1wkr s TYR 197 CO 0.05 -0.41 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 1wkr n GLY 198 N 4.41 0.90 0.14 8.97 0.00 -0.29 -2.75 105.19 116.58 1wkr n GLY 198 Ca -0.18 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.28 1wkr n GLY 198 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wkr h SER 199 N 7.53 0.00 0.00 1.61 0.02 -1.95 -3.42 113.55 117.34 1wkr h SER 199 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wkr h SER 199 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wkr h SER 199 CO 0.00 0.01 -0.11 -1.54 -1.14 0.00 0.00 176.83 174.05 1wkr n SER 200 N -2.80 0.00 -3.98 3.07 3.41 -1.24 -5.04 113.62 107.03 1wkr n SER 200 Ca 0.01 -1.22 -0.31 0.00 -0.26 0.00 0.00 58.87 57.09 1wkr n SER 200 Cb 0.55 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 1wkr n SER 200 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wkr s THR 201 N 0.00 1.76 0.25 6.66 2.01 -1.11 -5.03 115.64 120.18 1wkr s THR 201 Ca 0.00 -1.41 -0.30 0.00 0.31 0.00 0.00 61.69 60.29 1wkr s THR 201 Cb 0.00 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 1wkr s THR 201 CO 0.00 -0.12 1.25 -0.55 -0.69 0.00 0.00 174.62 174.52 1wkr s SER 202 N 1.28 6.96 -0.12 3.53 0.15 -1.26 -0.26 113.70 123.97 1wkr s SER 202 Ca -0.06 2.44 -0.10 0.00 0.70 0.00 0.00 55.95 58.94 1wkr s SER 202 Cb -0.19 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.44 1wkr s SER 202 CO -0.06 -0.43 -0.22 -0.38 1.20 0.00 0.00 173.24 173.35 1wkr n ILE 203 N 1.76 1.15 -3.75 6.45 2.08 -0.54 -4.82 119.36 121.69 1wkr n ILE 203 Ca 0.03 -0.01 -0.25 0.00 0.56 0.00 0.00 62.75 63.07 1wkr n ILE 203 Cb 0.43 -1.88 -0.17 0.00 -0.75 0.00 0.00 39.64 37.27 1wkr n ILE 203 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1wkr s LEU 204 N -7.21 0.75 0.70 1.39 2.96 -0.63 -4.29 118.68 112.35 1wkr s LEU 204 Ca -0.21 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.21 1wkr s LEU 204 Cb 0.06 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.30 1wkr s LEU 204 CO 0.28 -0.24 1.12 -0.44 -1.32 0.00 0.00 176.35 175.75 1wkr s SER 205 N 1.95 4.80 -0.17 3.68 0.01 -1.26 -1.12 113.70 121.59 1wkr s SER 205 Ca 0.03 2.00 -0.41 0.00 1.31 0.00 0.00 55.95 58.88 1wkr s SER 205 Cb -0.14 -2.55 -0.18 0.00 0.21 0.00 0.00 66.02 63.36 1wkr s SER 205 CO -0.06 -1.84 1.44 -1.20 0.41 0.00 0.00 173.24 171.98 1wkr n SER 206 N -2.76 1.30 -3.30 2.44 7.64 -1.26 -4.74 113.62 112.94 1wkr n SER 206 Ca 0.10 1.14 -0.05 0.00 1.01 0.00 0.00 58.87 61.07 1wkr n SER 206 Cb 0.52 -1.03 0.01 0.00 -1.01 0.00 0.00 64.21 62.70 1wkr n SER 206 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wkr s THR 207 N 1.75 0.00 0.12 0.44 -1.32 -0.49 -4.96 115.64 111.17 1wkr s THR 207 Ca 0.95 -0.72 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1wkr s THR 207 Cb -1.20 -2.76 -0.05 0.00 -1.51 0.00 0.00 72.50 66.99 1wkr s THR 207 CO 0.63 0.00 0.31 0.00 -2.21 0.00 0.00 174.62 173.34 1wkr s ALA 208 N -2.39 3.89 0.00 11.08 0.00 -1.26 -1.15 121.76 131.94 1wkr s ALA 208 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1wkr s ALA 208 Cb -0.03 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1wkr s ALA 208 CO 0.07 0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.94 1wkr n GLY 209 N 0.05 0.98 3.27 0.00 0.00 -0.53 -0.31 105.19 108.66 1wkr n GLY 209 Ca -0.04 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1wkr n GLY 209 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wkr s ILE 210 N -2.35 1.21 -0.25 -0.61 -4.36 -0.53 -0.91 121.20 113.40 1wkr s ILE 210 Ca 0.00 -2.07 -0.05 0.00 -0.26 0.00 0.00 60.65 58.26 1wkr s ILE 210 Cb 0.00 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.77 1wkr s ILE 210 CO 0.00 -0.67 0.02 -0.69 0.24 0.00 0.00 174.94 173.84 1wkr s VAL 211 N -3.30 3.73 -0.19 8.37 1.01 -0.48 -0.70 120.40 128.83 1wkr s VAL 211 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1wkr s VAL 211 Cb 0.03 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1wkr s VAL 211 CO 0.02 0.28 0.09 -0.62 0.00 0.00 0.00 175.10 174.87 1wkr s ASP 212 N 1.50 2.62 0.56 3.32 2.15 -0.18 -4.61 116.67 122.03 1wkr s ASP 212 Ca 0.04 -0.75 0.26 0.00 0.43 0.00 0.00 52.55 52.54 1wkr s ASP 212 Cb -0.16 -0.32 1.62 0.00 -0.30 0.00 0.00 42.92 43.77 1wkr s ASP 212 CO -0.00 -0.36 2.19 0.71 -0.17 0.00 0.00 175.17 177.54 1wkr h THR 213 N 6.43 0.64 -0.58 1.71 1.35 -1.83 -2.74 112.91 117.89 1wkr h THR 213 Ca -0.16 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1wkr h THR 213 Cb 1.12 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1wkr h THR 213 CO 0.32 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 1wkr n GLY 214 N -1.20 2.26 3.47 5.82 0.00 -1.24 -4.24 105.19 110.06 1wkr n GLY 214 Ca -0.03 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1wkr n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkr s THR 215 N -1.66 3.77 0.00 2.61 2.01 -1.04 -5.01 115.64 116.32 1wkr s THR 215 Ca 0.44 -0.40 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1wkr s THR 215 Cb 0.27 -2.66 -0.15 0.00 0.01 0.00 0.00 72.50 69.98 1wkr s THR 215 CO 0.23 0.48 1.10 0.74 -0.69 0.00 0.00 174.62 176.48 1wkr h THR 216 N 5.24 0.36 -4.47 -0.82 2.02 -1.86 0.29 112.91 113.67 1wkr h THR 216 Ca -0.32 -0.51 -0.49 0.00 0.77 0.00 0.00 66.41 65.86 1wkr h THR 216 Cb 1.19 0.53 0.08 0.00 -1.74 0.00 0.00 68.15 68.21 1wkr h THR 216 CO 0.62 0.06 0.40 -0.76 0.37 0.00 0.00 175.52 176.21 1wkr s LEU 217 N -9.45 2.85 -0.66 2.58 1.43 -1.26 -1.80 118.68 112.36 1wkr s LEU 217 Ca -0.13 1.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.82 1wkr s LEU 217 Cb 0.02 -3.81 0.10 0.00 0.03 0.00 0.00 46.19 42.53 1wkr s LEU 217 CO 0.46 -1.42 0.85 -0.89 0.23 0.00 0.00 176.35 175.57 1wkr s THR 218 N -3.38 4.66 -0.08 5.49 2.01 -0.43 -3.21 115.64 120.70 1wkr s THR 218 Ca 0.59 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1wkr s THR 218 Cb -0.11 -4.59 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 1wkr s THR 218 CO 0.51 -1.29 0.27 -0.76 -0.69 0.00 0.00 174.62 172.66 1wkr s LEU 219 N 3.10 4.41 0.07 4.42 1.43 -0.19 -1.06 118.68 130.87 1wkr s LEU 219 Ca 0.18 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.00 1wkr s LEU 219 Cb -0.19 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1wkr s LEU 219 CO 0.05 0.33 -0.12 0.27 0.23 0.00 0.00 176.35 177.12 1wkr s ILE 220 N -0.85 0.98 0.60 -0.59 -4.36 -0.36 -0.48 121.20 116.13 1wkr s ILE 220 Ca 0.19 -1.36 -0.18 0.00 -0.26 0.00 0.00 60.65 59.04 1wkr s ILE 220 Cb -0.14 -1.08 -0.08 0.00 1.25 0.00 0.00 42.46 42.42 1wkr s ILE 220 CO 0.08 -0.34 0.57 0.00 0.24 0.00 0.00 174.94 175.48 1wkr n ALA 221 N 1.11 -1.07 -0.28 2.27 0.00 -0.28 -0.79 120.51 121.47 1wkr n ALA 221 Ca -0.20 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.22 1wkr n ALA 221 Cb 0.55 -1.86 0.24 0.00 0.00 0.00 0.00 19.45 18.38 1wkr n ALA 221 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wkr h SER 222 N 0.17 0.90 0.04 0.00 0.02 -1.20 0.11 113.55 113.59 1wkr h SER 222 Ca -0.46 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 1wkr h SER 222 Cb 1.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1wkr h SER 222 CO 0.47 0.60 -0.23 -2.24 -1.14 0.00 0.00 176.83 174.28 1wkr h ASP 223 N 1.03 0.33 -0.06 3.07 2.03 -1.89 -1.41 116.42 119.52 1wkr h ASP 223 Ca 0.35 -0.10 -0.18 0.00 -0.73 0.00 0.00 57.03 56.37 1wkr h ASP 223 Cb 0.10 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1wkr h ASP 223 CO -0.12 0.57 -0.62 0.00 -1.03 0.00 0.00 179.24 178.05 1wkr h ALA 224 N 1.46 0.55 -0.86 4.15 0.00 -1.23 -2.72 119.26 120.61 1wkr h ALA 224 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1wkr h ALA 224 Cb 0.58 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1wkr h ALA 224 CO 0.04 0.70 0.46 0.35 0.00 0.00 0.00 179.25 180.79 1wkr h PHE 225 N 0.50 1.18 -0.85 0.00 3.57 -0.63 -0.14 116.94 120.57 1wkr h PHE 225 Ca -0.01 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1wkr h PHE 225 Cb 1.20 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1wkr h PHE 225 CO 0.06 0.83 0.47 0.00 -2.23 0.00 0.00 178.31 177.44 1wkr h ALA 226 N 1.30 1.09 -0.74 2.41 0.00 -1.20 -0.06 119.26 122.06 1wkr h ALA 226 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wkr h ALA 226 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1wkr h ALA 226 CO -0.05 0.59 0.29 0.87 0.00 0.00 0.00 179.25 180.96 1wkr h LYS 227 N 1.18 1.11 -0.41 0.00 1.57 -1.05 -1.73 116.57 117.25 1wkr h LYS 227 Ca 0.30 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1wkr h LYS 227 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1wkr h LYS 227 CO -0.05 0.91 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.79 1wkr h TYR 228 N 1.06 0.81 -0.78 -1.35 3.20 -0.56 -0.55 116.97 118.80 1wkr h TYR 228 Ca 0.25 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1wkr h TYR 228 Cb 0.22 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1wkr h TYR 228 CO 0.02 0.83 0.43 0.87 -1.64 0.00 0.00 178.16 178.67 1wkr h LYS 229 N 0.56 1.09 -0.31 1.82 1.57 -0.89 -1.28 116.57 119.13 1wkr h LYS 229 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1wkr h LYS 229 Cb 0.52 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wkr h LYS 229 CO 0.03 0.81 0.10 -0.22 -0.57 0.00 0.00 179.45 179.59 1wkr h LYS 230 N 1.09 0.48 -0.15 3.15 3.64 -1.13 -1.28 116.57 122.36 1wkr h LYS 230 Ca 0.28 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1wkr h LYS 230 Cb 0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1wkr h LYS 230 CO -0.04 0.53 -0.43 0.00 -2.27 0.00 0.00 179.45 177.23 1wkr h ALA 231 N 0.93 0.99 0.00 5.00 0.00 -0.79 -3.14 119.26 122.25 1wkr h ALA 231 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wkr h ALA 231 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wkr h ALA 231 CO -0.00 0.62 -1.18 0.25 0.00 0.00 0.00 179.25 178.94 1wkr n THR 232 N -4.01 0.40 -0.93 0.00 -2.24 -0.51 -4.96 114.28 102.02 1wkr n THR 232 Ca -0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1wkr n THR 232 Cb 0.51 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1wkr n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkr n GLY 233 N 1.24 0.73 3.75 3.38 0.00 -0.50 -4.91 105.19 108.86 1wkr n GLY 233 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wkr n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkr s ALA 234 N -2.83 2.36 0.20 4.61 0.00 -1.09 -4.94 121.76 120.07 1wkr s ALA 234 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1wkr s ALA 234 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1wkr s ALA 234 CO 0.00 -1.46 -0.15 0.14 0.00 0.00 0.00 175.76 174.29 1wkr s VAL 235 N -1.92 1.73 0.47 0.00 -7.23 -0.93 -4.81 120.40 107.71 1wkr s VAL 235 Ca 0.74 -2.16 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1wkr s VAL 235 Cb -0.27 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.60 1wkr s VAL 235 CO 0.39 -0.56 1.30 0.00 -0.31 0.00 0.00 175.10 175.93 1wkr s ALA 236 N -2.83 3.03 -0.08 1.32 0.00 -1.26 -0.87 121.76 121.08 1wkr s ALA 236 Ca 0.21 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.43 1wkr s ALA 236 Cb -0.02 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 1wkr s ALA 236 CO 0.07 -1.00 -0.23 0.34 0.00 0.00 0.00 175.76 174.93 1wkr s ASP 237 N -0.95 2.93 0.02 0.00 2.15 -1.06 -4.76 116.67 115.00 1wkr s ASP 237 Ca 0.64 -0.51 -0.20 0.00 0.43 0.00 0.00 52.55 52.90 1wkr s ASP 237 Cb -0.37 -1.15 -0.11 0.00 -0.30 0.00 0.00 42.92 40.99 1wkr s ASP 237 CO 0.45 0.18 1.17 -1.13 -0.17 0.00 0.00 175.17 175.67 1wkr h ASN 238 N 6.51 -0.62 0.33 -0.34 -1.24 -1.96 -1.55 115.58 116.71 1wkr h ASN 238 Ca -0.24 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.76 1wkr h ASN 238 Cb 1.21 0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.42 1wkr h ASN 238 CO 0.47 -0.40 -0.13 0.78 -1.29 0.00 0.00 177.43 176.86 1wkr h ASN 239 N -0.81 0.00 0.00 1.15 4.21 -1.94 -3.32 115.58 114.88 1wkr h ASN 239 Ca -0.07 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.28 1wkr h ASN 239 Cb 0.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 1wkr h ASN 239 CO 0.12 0.13 -1.63 0.35 -1.29 0.00 0.00 177.43 175.11 1wkr n THR 240 N -3.75 0.60 -1.04 2.81 -2.24 -1.20 -4.46 114.28 105.00 1wkr n THR 240 Ca -0.02 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 1wkr n THR 240 Cb 0.24 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 1wkr n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkr n GLY 241 N 2.39 0.43 3.70 3.38 0.00 -0.59 -4.93 105.19 109.58 1wkr n GLY 241 Ca -0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1wkr n GLY 241 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wkr s LEU 242 N -0.32 3.39 0.58 0.99 1.43 -1.26 -4.94 118.68 118.56 1wkr s LEU 242 Ca 0.00 -0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 1wkr s LEU 242 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1wkr s LEU 242 CO 0.00 -0.02 1.17 -0.76 0.23 0.00 0.00 176.35 176.97 1wkr s LEU 243 N -3.73 3.66 0.03 1.79 1.43 -1.26 -2.56 118.68 118.05 1wkr s LEU 243 Ca 0.32 2.28 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 1wkr s LEU 243 Cb -0.07 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.54 1wkr s LEU 243 CO 0.22 -1.48 -0.20 -0.60 0.23 0.00 0.00 176.35 174.52 1wkr s ARG 244 N -3.39 1.37 0.11 1.70 3.52 -0.05 -0.90 118.95 121.31 1wkr s ARG 244 Ca 0.75 -0.89 0.09 0.00 -0.13 0.00 0.00 55.73 55.55 1wkr s ARG 244 Cb -0.27 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 31.63 1wkr s ARG 244 CO 0.32 0.37 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.47 1wkr s LEU 245 N -1.06 2.61 0.96 -0.88 1.43 -0.62 -2.19 118.68 118.93 1wkr s LEU 245 Ca 0.07 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1wkr s LEU 245 Cb -0.08 -1.48 0.17 0.00 0.03 0.00 0.00 46.19 44.82 1wkr s LEU 245 CO 0.01 0.19 1.13 0.42 0.23 0.00 0.00 176.35 178.33 1wkr s THR 246 N -1.10 1.97 0.17 5.49 -4.23 -1.26 -4.13 115.64 112.54 1wkr s THR 246 Ca 0.17 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.53 1wkr s THR 246 Cb -0.10 -2.68 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1wkr s THR 246 CO 0.09 0.00 1.75 0.74 -0.54 0.00 0.00 174.62 176.66 1wkr h THR 247 N -1.69 0.86 -0.63 3.99 2.02 -1.98 -0.35 112.91 115.13 1wkr h THR 247 Ca -0.51 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1wkr h THR 247 Cb 1.33 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1wkr h THR 247 CO 0.58 0.06 0.19 0.00 0.37 0.00 0.00 175.52 176.72 1wkr h ALA 248 N 1.28 0.82 -0.16 6.16 0.00 -1.99 -1.23 119.26 124.14 1wkr h ALA 248 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1wkr h ALA 248 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wkr h ALA 248 CO -0.21 0.50 -0.31 1.96 0.00 0.00 0.00 179.25 181.19 1wkr h GLN 249 N 0.91 0.32 -0.50 0.00 4.20 -1.79 -1.87 115.11 116.38 1wkr h GLN 249 Ca 0.20 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1wkr h GLN 249 Cb 0.30 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1wkr h GLN 249 CO -0.00 0.60 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.80 1wkr h TYR 250 N 0.28 1.00 -0.42 2.96 3.20 -0.81 -1.18 116.97 122.00 1wkr h TYR 250 Ca 0.04 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.76 1wkr h TYR 250 Cb 0.69 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1wkr h TYR 250 CO 0.02 0.94 0.28 0.00 -1.64 0.00 0.00 178.16 177.76 1wkr h ALA 251 N 0.92 1.89 -0.02 1.82 0.00 -0.80 -1.49 119.26 121.59 1wkr h ALA 251 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wkr h ALA 251 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wkr h ALA 251 CO 0.03 0.04 -0.01 0.09 0.00 0.00 0.00 179.25 179.41 1wkr n ASN 252 N -4.48 1.74 -4.70 0.00 3.02 -0.74 -4.95 115.26 105.16 1wkr n ASN 252 Ca 0.05 -1.57 -0.42 0.00 -0.03 0.00 0.00 54.58 52.61 1wkr n ASN 252 Cb 0.20 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1wkr n ASN 252 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wkr s LEU 253 N -2.01 4.36 0.45 3.41 2.96 -0.47 -5.01 118.68 122.37 1wkr s LEU 253 Ca 0.36 2.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.79 1wkr s LEU 253 Cb 0.21 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1wkr s LEU 253 CO 0.33 -0.86 0.65 -1.10 -1.32 0.00 0.00 176.35 174.05 1wkr s GLN 254 N 2.26 2.94 0.63 1.98 -1.52 -1.26 -4.65 119.66 120.04 1wkr s GLN 254 Ca 0.72 -0.70 -0.17 0.00 -1.95 0.00 0.00 55.36 53.26 1wkr s GLN 254 Cb -0.40 -2.61 -0.02 0.00 -0.22 0.00 0.00 33.01 29.76 1wkr s GLN 254 CO 0.32 -0.30 1.17 -1.12 -0.25 0.00 0.00 175.29 175.10 1wkr s SER 255 N -4.26 5.07 -0.12 5.90 0.01 -1.26 -4.37 113.70 114.67 1wkr s SER 255 Ca 0.50 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 59.85 1wkr s SER 255 Cb -0.10 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 1wkr s SER 255 CO 0.36 -1.67 0.37 -0.76 0.41 0.00 0.00 173.24 171.96 1wkr s LEU 256 N -4.43 4.30 -0.25 2.44 1.43 -0.24 -1.13 118.68 120.80 1wkr s LEU 256 Ca 0.73 0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1wkr s LEU 256 Cb -0.26 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1wkr s LEU 256 CO 0.36 0.11 0.01 -0.36 0.23 0.00 0.00 176.35 176.71 1wkr s PHE 257 N 0.23 3.05 -0.21 0.29 0.08 0.52 -0.50 117.98 121.43 1wkr s PHE 257 Ca 0.21 -0.91 -0.09 0.00 0.12 0.00 0.00 56.93 56.26 1wkr s PHE 257 Cb -0.14 -2.17 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1wkr s PHE 257 CO 0.08 -0.54 0.12 -0.06 -0.10 0.00 0.00 175.22 174.72 1wkr s PHE 258 N 1.50 3.32 -0.33 0.36 0.40 0.27 -1.20 117.98 122.29 1wkr s PHE 258 Ca 0.04 0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 56.44 1wkr s PHE 258 Cb -0.15 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 1wkr s PHE 258 CO -0.00 0.14 0.21 0.99 0.70 0.00 0.00 175.22 177.26 1wkr s THR 259 N 0.66 5.09 -0.03 0.64 2.01 -0.32 -0.60 115.64 123.10 1wkr s THR 259 Ca 0.06 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1wkr s THR 259 Cb -0.12 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1wkr s THR 259 CO 0.01 0.03 0.03 -0.63 -0.69 0.00 0.00 174.62 173.37 1wkr s ILE 260 N 1.69 -0.02 -1.79 1.82 1.01 -0.19 -2.47 121.20 121.26 1wkr s ILE 260 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1wkr s ILE 260 Cb -0.17 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1wkr s ILE 260 CO 0.09 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1wkr n GLY 261 N 4.54 0.60 2.24 6.18 0.00 -1.26 -1.53 105.19 115.96 1wkr n GLY 261 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1wkr n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkr n GLY 262 N -0.86 0.82 3.46 -0.02 0.00 -1.26 -4.87 105.19 102.46 1wkr n GLY 262 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1wkr n GLY 262 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wkr s GLN 263 N -0.17 1.65 -0.14 1.61 -1.52 -0.58 -5.12 119.66 115.38 1wkr s GLN 263 Ca 0.00 -1.38 -0.17 0.00 -1.95 0.00 0.00 55.36 51.85 1wkr s GLN 263 Cb 0.00 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.78 1wkr s GLN 263 CO 0.00 0.43 0.45 0.99 -0.25 0.00 0.00 175.29 176.91 1wkr s THR 264 N -1.47 5.20 -0.17 -0.19 2.01 -1.26 -1.02 115.64 118.74 1wkr s THR 264 Ca 0.20 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.07 1wkr s THR 264 Cb -0.09 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1wkr s THR 264 CO 0.10 0.31 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.88 1wkr s PHE 265 N 0.75 2.87 -0.39 4.92 0.08 0.23 -4.96 117.98 121.47 1wkr s PHE 265 Ca 0.24 -0.85 -0.11 0.00 0.12 0.00 0.00 56.93 56.33 1wkr s PHE 265 Cb -0.15 -1.95 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1wkr s PHE 265 CO 0.09 -0.39 0.23 -2.00 -0.10 0.00 0.00 175.22 173.05 1wkr s GLU 266 N 0.86 2.80 -0.56 0.44 2.12 -1.26 -0.57 118.70 122.52 1wkr s GLU 266 Ca -0.03 -1.15 -0.22 0.00 0.36 0.00 0.00 54.97 53.93 1wkr s GLU 266 Cb -0.15 -3.78 0.06 0.00 0.26 0.00 0.00 34.13 30.52 1wkr s GLU 266 CO 0.00 -0.76 0.83 -1.17 -0.54 0.00 0.00 175.26 173.62 1wkr s LEU 267 N 1.55 4.52 0.97 2.70 2.96 0.34 -4.96 118.68 126.75 1wkr s LEU 267 Ca 0.02 -0.72 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 1wkr s LEU 267 Cb -0.20 -2.59 0.17 0.00 0.50 0.00 0.00 46.19 44.07 1wkr s LEU 267 CO 0.06 -1.15 1.12 0.42 -1.32 0.00 0.00 176.35 175.48 1wkr s THR 268 N 3.46 1.98 0.21 3.68 -4.23 -1.26 -1.08 115.64 118.40 1wkr s THR 268 Ca 0.23 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1wkr s THR 268 Cb -0.16 -2.63 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1wkr s THR 268 CO 0.14 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.93 1wkr h ALA 269 N -1.74 0.68 -0.34 3.99 0.00 -1.83 -1.49 119.26 118.54 1wkr h ALA 269 Ca -0.52 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1wkr h ALA 269 Cb 1.33 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1wkr h ALA 269 CO 0.58 -0.30 -0.12 -0.97 0.00 0.00 0.00 179.25 178.44 1wkr h ASN 270 N 0.26 0.57 0.60 0.00 -0.73 -1.92 -1.44 115.58 112.93 1wkr h ASN 270 Ca 0.30 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1wkr h ASN 270 Cb 0.44 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1wkr h ASN 270 CO -0.38 0.73 0.00 0.00 -0.37 0.00 0.00 177.43 177.41 1wkr h ALA 271 N 1.33 1.00 -0.01 1.57 0.00 -1.56 -2.71 119.26 118.88 1wkr h ALA 271 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wkr h ALA 271 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wkr h ALA 271 CO 0.03 0.00 -0.03 1.04 0.00 0.00 0.00 179.25 180.29 1wkr n GLN 272 N -3.01 1.16 -4.33 0.00 6.02 -0.54 -4.89 117.38 111.78 1wkr n GLN 272 Ca -0.01 -0.41 -0.28 0.00 -0.01 0.00 0.00 57.00 56.30 1wkr n GLN 272 Cb 0.21 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.87 1wkr n GLN 272 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1wkr s ILE 273 N -2.12 2.82 0.41 5.09 -4.36 -1.02 -0.74 121.20 121.27 1wkr s ILE 273 Ca 0.39 -1.68 -0.25 0.00 -0.26 0.00 0.00 60.65 58.85 1wkr s ILE 273 Cb 0.21 -2.34 -0.08 0.00 1.25 0.00 0.00 42.46 41.50 1wkr s ILE 273 CO 0.39 -0.02 1.23 0.86 0.24 0.00 0.00 174.94 177.64 1wkr s TRP 274 N -1.44 2.93 -0.15 1.37 -0.11 0.18 -4.77 118.94 116.95 1wkr s TRP 274 Ca 0.21 1.49 -0.31 0.00 1.22 0.00 0.00 56.10 58.71 1wkr s TRP 274 Cb -0.09 -3.52 -0.08 0.00 -1.50 0.00 0.00 33.47 28.28 1wkr s TRP 274 CO 0.11 -1.68 2.09 -0.35 -4.62 0.00 0.00 176.95 172.50 1wkr n PRO 275 N 0.04 2.09 0.24 5.86 -0.04 -1.26 -4.75 135.00 137.17 1wkr n PRO 275 Ca 0.04 0.68 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1wkr n PRO 275 Cb 0.45 -2.95 0.59 0.00 -0.04 0.00 0.00 33.50 31.55 1wkr n PRO 275 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wkr h ARG 276 N 12.46 0.00 0.00 0.54 3.08 -1.85 -0.22 114.38 128.39 1wkr h ARG 276 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1wkr h ARG 276 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1wkr h ARG 276 CO 0.96 0.20 0.00 0.27 -1.07 0.00 0.00 179.97 180.33 1wkr n ASN 277 N -3.65 0.18 -0.74 7.04 6.94 -1.26 -1.99 115.26 121.78 1wkr n ASN 277 Ca -0.01 0.54 0.09 0.00 -0.02 0.00 0.00 54.58 55.17 1wkr n ASN 277 Cb 0.32 -0.58 0.24 0.00 -2.36 0.00 0.00 39.78 37.40 1wkr n ASN 277 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1wkr n LEU 278 N -1.69 3.59 0.16 -4.53 4.77 -0.11 -4.73 117.00 114.47 1wkr n LEU 278 Ca 0.04 -3.00 0.14 0.00 -0.03 0.00 0.00 56.01 53.16 1wkr n LEU 278 Cb 0.22 -0.52 0.71 0.00 -2.33 0.00 0.00 43.42 41.50 1wkr n LEU 278 CO 0.18 0.68 1.13 0.78 -1.33 0.00 0.00 177.39 178.83 1wkr h ASN 279 N 1.49 0.00 0.80 -1.43 2.35 -1.27 -1.25 115.58 116.28 1wkr h ASN 279 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1wkr h ASN 279 Cb 1.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 1wkr h ASN 279 CO 0.18 0.00 -0.10 0.71 -1.65 0.00 0.00 177.43 176.57 1wkr h THR 280 N 0.00 0.28 0.00 2.81 1.35 -1.85 0.29 112.91 115.79 1wkr h THR 280 Ca 0.10 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1wkr h THR 280 Cb 0.45 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wkr h THR 280 CO -0.00 0.09 -0.12 0.00 -0.25 0.00 0.00 175.52 175.24 1wkr h ALA 281 N 1.90 1.49 -0.35 6.62 0.00 -1.55 -1.92 119.26 125.46 1wkr h ALA 281 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wkr h ALA 281 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wkr h ALA 281 CO 0.01 0.15 0.00 0.44 0.00 0.00 0.00 179.25 179.85 1wkr n ILE 282 N -3.94 1.21 -0.56 0.00 -6.64 -0.95 -4.97 119.36 103.51 1wkr n ILE 282 Ca -0.02 -1.14 0.00 0.00 -1.77 0.00 0.00 62.75 59.82 1wkr n ILE 282 Cb 0.21 0.38 0.00 0.00 -1.44 0.00 0.00 39.64 38.79 1wkr n ILE 282 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1wkr n GLY 283 N 0.39 0.73 3.98 3.28 0.00 -0.72 -4.15 105.19 108.70 1wkr n GLY 283 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1wkr n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wkr s GLY 284 N -1.95 1.77 0.24 -0.02 0.00 0.05 -4.44 107.32 102.97 1wkr s GLY 284 Ca 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.26 1wkr s GLY 284 CO 0.00 -1.04 0.16 -1.35 0.00 0.00 0.00 173.10 170.87 1wkr s SER 285 N -4.65 5.37 0.75 1.64 1.04 -1.26 -3.88 113.70 112.70 1wkr s SER 285 Ca 0.64 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.65 1wkr s SER 285 Cb -0.07 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.78 1wkr s SER 285 CO 0.43 -0.01 1.15 0.00 0.98 0.00 0.00 173.24 175.79 1wkr s ALA 286 N -2.09 2.14 -1.42 5.32 0.00 -1.26 -3.59 121.76 120.86 1wkr s ALA 286 Ca 0.32 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1wkr s ALA 286 Cb -0.08 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1wkr s ALA 286 CO 0.24 -1.82 1.05 0.43 0.00 0.00 0.00 175.76 175.65 1wkr n SER 287 N -3.03 -6.22 -4.11 0.00 7.64 -1.26 -4.98 113.62 101.66 1wkr n SER 287 Ca 0.11 -0.50 -0.18 0.00 1.01 0.00 0.00 58.87 59.31 1wkr n SER 287 Cb 0.52 -4.92 -0.13 0.00 -1.01 0.00 0.00 64.21 58.67 1wkr n SER 287 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wkr s SER 288 N -3.18 1.40 -0.27 6.43 0.01 -1.24 -5.04 113.70 111.80 1wkr s SER 288 Ca 0.54 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.26 1wkr s SER 288 Cb -0.24 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 1wkr s SER 288 CO 0.66 -0.03 0.06 -0.69 0.41 0.00 0.00 173.24 173.65 1wkr s VAL 289 N -0.97 3.99 0.01 3.43 1.01 -1.26 -4.85 120.40 121.75 1wkr s VAL 289 Ca -0.01 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1wkr s VAL 289 Cb -0.08 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1wkr s VAL 289 CO 0.01 0.21 -0.22 -0.31 0.00 0.00 0.00 175.10 174.79 1wkr s TYR 290 N 1.53 2.45 0.05 5.22 2.02 -1.26 -1.59 117.35 125.77 1wkr s TYR 290 Ca 0.04 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1wkr s TYR 290 Cb -0.16 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1wkr s TYR 290 CO 0.02 0.13 0.26 -0.51 -1.57 0.00 0.00 175.55 173.89 1wkr s LEU 291 N -1.06 4.34 0.00 -1.29 1.43 -0.08 -0.65 118.68 121.38 1wkr s LEU 291 Ca 0.12 0.46 0.22 0.00 -1.03 0.00 0.00 54.13 53.90 1wkr s LEU 291 Cb -0.10 -2.87 0.36 0.00 0.03 0.00 0.00 46.19 43.60 1wkr s LEU 291 CO 0.02 0.19 1.33 2.30 0.23 0.00 0.00 176.35 180.42 1wkr n ILE 292 N 0.66 0.43 -2.81 -0.59 -6.64 0.08 -4.18 119.36 106.30 1wkr n ILE 292 Ca -0.08 -0.72 -0.42 0.00 -1.77 0.00 0.00 62.75 59.77 1wkr n ILE 292 Cb 0.52 1.04 -0.03 0.00 -1.44 0.00 0.00 39.64 39.73 1wkr n ILE 292 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1wkr s VAL 293 N -1.47 4.81 0.41 7.28 1.01 -1.26 -1.31 120.40 129.87 1wkr s VAL 293 Ca 0.34 1.75 0.03 0.00 0.00 0.00 0.00 61.98 64.11 1wkr s VAL 293 Cb 0.21 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1wkr s VAL 293 CO 0.29 -0.05 0.08 -0.83 0.00 0.00 0.00 175.10 174.59 1wkr s GLY 294 N 1.21 2.57 -0.22 4.51 0.00 -0.22 -4.73 107.32 110.44 1wkr s GLY 294 Ca 0.40 -1.30 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 1wkr s GLY 294 CO 0.10 -1.92 0.57 -0.35 0.00 0.00 0.00 173.10 171.50 1wkr s ASP 295 N -3.64 6.58 0.51 1.64 -1.08 -1.26 -1.22 116.67 118.20 1wkr s ASP 295 Ca 0.23 0.70 0.20 0.00 -0.52 0.00 0.00 52.55 53.17 1wkr s ASP 295 Cb 0.04 -2.32 1.33 0.00 -1.46 0.00 0.00 42.92 40.52 1wkr s ASP 295 CO 0.12 -0.26 2.12 0.25 0.52 0.00 0.00 175.17 177.92 1wkr h LEU 296 N 8.35 0.00 0.00 -1.34 5.85 -1.26 -3.45 115.31 123.46 1wkr h LEU 296 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1wkr h LEU 296 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1wkr h LEU 296 CO 0.75 0.07 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 1wkr n GLY 297 N -1.24 0.80 3.25 3.75 0.00 -1.26 -5.01 105.19 105.48 1wkr n GLY 297 Ca -0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 1wkr n GLY 297 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wkr s SER 298 N -2.18 -0.18 0.53 1.61 1.04 -1.26 -4.98 113.70 108.28 1wkr s SER 298 Ca 0.00 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1wkr s SER 298 Cb 0.00 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 1wkr s SER 298 CO 0.00 -0.51 0.95 -1.81 0.98 0.00 0.00 173.24 172.85 1wkr s ASP 299 N -1.60 6.44 0.78 7.02 1.01 -1.26 -0.63 116.67 128.43 1wkr s ASP 299 Ca -0.10 1.40 -0.13 0.00 0.71 0.00 0.00 52.55 54.42 1wkr s ASP 299 Cb -0.03 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.52 1wkr s ASP 299 CO 0.02 -0.66 1.16 -0.94 0.21 0.00 0.00 175.17 174.96 1wkr s SER 300 N -3.56 3.97 0.00 0.27 1.04 -1.26 -3.90 113.70 110.26 1wkr s SER 300 Ca 0.55 2.20 0.00 0.00 0.48 0.00 0.00 55.95 59.18 1wkr s SER 300 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1wkr s SER 300 CO 0.40 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.83 1wkr n GLY 301 N 0.02 0.83 1.17 7.32 0.00 -1.26 -4.98 105.19 108.29 1wkr n GLY 301 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1wkr n GLY 301 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wkr n GLU 302 N -2.10 2.47 -0.98 1.61 1.02 -1.25 -4.94 120.64 116.47 1wkr n GLU 302 Ca 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1wkr n GLU 302 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1wkr n GLU 302 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wkr n GLY 303 N 1.51 0.50 3.15 0.62 0.00 -1.26 -4.38 105.19 105.33 1wkr n GLY 303 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1wkr n GLY 303 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wkr s LEU 304 N 0.00 -1.42 0.00 0.99 0.20 -1.24 -1.65 118.68 115.56 1wkr s LEU 304 Ca 0.00 -0.18 0.00 0.00 0.69 0.00 0.00 54.13 54.64 1wkr s LEU 304 Cb 0.00 1.85 0.00 0.00 -0.43 0.00 0.00 46.19 47.61 1wkr s LEU 304 CO 0.00 -0.22 0.63 0.47 -0.29 0.00 0.00 176.35 176.94 1wkr n ASP 305 N 4.94 1.17 -3.43 3.68 8.00 0.58 -4.94 116.55 126.55 1wkr n ASP 305 Ca 0.08 -1.36 -0.13 0.00 0.71 0.00 0.00 54.79 54.09 1wkr n ASP 305 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1wkr n ASP 305 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1wkr s PHE 306 N -0.36 -0.55 -0.16 1.24 -0.12 -1.26 -1.12 117.98 115.65 1wkr s PHE 306 Ca 0.00 0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 1wkr s PHE 306 Cb 0.00 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1wkr s PHE 306 CO 0.00 -0.83 -0.02 0.42 -0.05 0.00 0.00 175.22 174.74 1wkr s ILE 307 N -3.53 0.81 -0.66 -4.49 1.01 0.36 -1.46 121.20 113.25 1wkr s ILE 307 Ca -0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1wkr s ILE 307 Cb -0.01 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1wkr s ILE 307 CO -0.11 0.06 1.14 0.20 0.00 0.00 0.00 174.94 176.22 1wkr s ASN 308 N 1.76 6.25 0.18 3.58 0.01 0.13 -1.02 114.94 125.82 1wkr s ASN 308 Ca 0.01 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1wkr s ASN 308 Cb -0.15 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1wkr s ASN 308 CO -0.07 -1.58 0.00 0.61 -1.51 0.00 0.00 177.10 174.55 1wkr n GLY 309 N 5.26 1.29 0.36 0.66 0.00 -1.20 -1.01 105.19 110.56 1wkr n GLY 309 Ca 0.02 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.18 1wkr n GLY 309 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wkr h LEU 310 N 0.00 0.70 -1.10 0.99 6.46 -0.36 -0.72 115.31 121.28 1wkr h LEU 310 Ca 0.00 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.77 1wkr h LEU 310 Cb 0.00 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1wkr h LEU 310 CO 0.00 0.23 -0.39 0.71 -0.62 0.00 0.00 178.44 178.36 1wkr h THR 311 N 0.67 1.07 -0.03 1.05 1.35 -1.59 0.42 112.91 115.86 1wkr h THR 311 Ca 0.58 -1.46 -0.13 0.00 -0.55 0.00 0.00 66.41 64.84 1wkr h THR 311 Cb 1.03 1.84 0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1wkr h THR 311 CO -0.36 0.39 -0.50 0.15 -0.25 0.00 0.00 175.52 174.94 1wkr h PHE 312 N 0.00 0.56 0.00 4.73 3.04 -1.46 -3.33 116.94 120.48 1wkr h PHE 312 Ca -0.00 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1wkr h PHE 312 Cb 0.81 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1wkr h PHE 312 CO 0.00 1.08 0.00 -0.07 -2.02 0.00 0.00 178.31 177.30 1wkr h LEU 313 N -0.12 0.00 -2.22 0.59 3.38 -0.60 -1.02 115.31 115.31 1wkr h LEU 313 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wkr h LEU 313 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1wkr h LEU 313 CO 0.10 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.30 1wkr h GLU 314 N 0.00 0.00 -0.00 1.13 5.08 -1.04 -2.98 114.58 116.76 1wkr h GLU 314 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wkr h GLU 314 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wkr h GLU 314 CO 0.00 0.00 -0.40 0.54 -1.00 0.00 0.00 179.01 178.15 1wkr n ARG 315 N -2.75 3.01 -3.87 2.33 5.12 -0.39 -3.53 116.66 116.59 1wkr n ARG 315 Ca -0.02 -0.22 -0.14 0.00 -1.93 0.00 0.00 57.85 55.54 1wkr n ARG 315 Cb 0.08 -1.04 -0.15 0.00 -1.16 0.00 0.00 32.46 30.20 1wkr n ARG 315 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1wkr s PHE 316 N -1.80 0.07 0.27 -1.55 0.08 -1.13 -4.07 117.98 109.85 1wkr s PHE 316 Ca 0.06 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.84 1wkr s PHE 316 Cb 0.08 -0.12 -0.09 0.00 -0.57 0.00 0.00 43.02 42.32 1wkr s PHE 316 CO 0.38 -0.04 1.05 -0.47 -0.10 0.00 0.00 175.22 176.04 1wkr s TYR 317 N 0.37 3.70 0.02 0.36 5.04 0.28 -4.63 117.35 122.49 1wkr s TYR 317 Ca -0.03 1.77 0.04 0.00 -2.44 0.00 0.00 57.07 56.41 1wkr s TYR 317 Cb -0.05 -3.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 1wkr s TYR 317 CO -0.01 -0.25 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.28 1wkr s SER 318 N -0.97 1.54 -0.12 4.32 1.04 -0.94 -1.64 113.70 116.92 1wkr s SER 318 Ca 0.43 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1wkr s SER 318 Cb -0.30 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1wkr s SER 318 CO 0.38 0.07 -0.13 -0.69 0.98 0.00 0.00 173.24 173.85 1wkr s VAL 319 N -0.66 1.42 -0.59 5.02 1.01 0.20 -0.59 120.40 126.22 1wkr s VAL 319 Ca 0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1wkr s VAL 319 Cb -0.07 -1.33 0.15 0.00 0.00 0.00 0.00 36.38 35.13 1wkr s VAL 319 CO 0.01 0.43 0.41 -0.31 0.00 0.00 0.00 175.10 175.64 1wkr s TYR 320 N 1.29 3.47 -0.53 5.22 1.51 0.68 -0.74 117.35 128.25 1wkr s TYR 320 Ca -0.01 -2.53 -0.15 0.00 -1.01 0.00 0.00 57.07 53.38 1wkr s TYR 320 Cb -0.14 -3.28 0.13 0.00 -0.11 0.00 0.00 41.96 38.56 1wkr s TYR 320 CO -0.06 -0.89 0.48 0.34 -1.11 0.00 0.00 175.55 174.31 1wkr s ASP 321 N 1.20 6.13 0.09 2.29 -1.08 -0.57 -1.43 116.67 123.30 1wkr s ASP 321 Ca 0.14 -1.80 -0.15 0.00 -0.52 0.00 0.00 52.55 50.22 1wkr s ASP 321 Cb -0.20 -2.19 -0.10 0.00 -1.46 0.00 0.00 42.92 38.97 1wkr s ASP 321 CO -0.04 -0.84 1.38 0.74 0.52 0.00 0.00 175.17 176.94 1wkr h THR 322 N 5.92 1.31 -0.66 1.71 2.02 -1.25 -0.91 112.91 121.04 1wkr h THR 322 Ca -0.29 -1.53 0.11 0.00 0.77 0.00 0.00 66.41 65.46 1wkr h THR 322 Cb 1.10 1.70 -0.08 0.00 -1.74 0.00 0.00 68.15 69.13 1wkr h THR 322 CO 1.02 0.48 0.26 0.74 0.37 0.00 0.00 175.52 178.39 1wkr h THR 323 N 0.39 0.75 -0.02 3.16 2.02 -1.66 -2.27 112.91 115.28 1wkr h THR 323 Ca 0.03 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1wkr h THR 323 Cb 0.93 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1wkr h THR 323 CO 0.08 0.08 -0.10 0.59 0.37 0.00 0.00 175.52 176.54 1wkr n ASN 324 N -4.98 2.59 -3.78 4.18 3.02 -1.24 -4.99 115.26 110.07 1wkr n ASN 324 Ca 0.11 -1.82 -0.34 0.00 -0.03 0.00 0.00 54.58 52.49 1wkr n ASN 324 Cb 0.31 0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1wkr n ASN 324 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wkr n LYS 325 N 0.90 -1.14 -3.92 3.52 4.76 -0.41 -4.91 118.16 116.97 1wkr n LYS 325 Ca 0.14 0.38 -0.09 0.00 -2.87 0.00 0.00 58.31 55.86 1wkr n LYS 325 Cb 0.54 -3.83 -0.07 0.00 -1.84 0.00 0.00 35.03 29.84 1wkr n LYS 325 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1wkr s ARG 326 N -6.30 1.16 -0.05 1.97 1.70 -0.84 -1.67 118.95 114.91 1wkr s ARG 326 Ca 0.45 -1.11 0.03 0.00 -0.47 0.00 0.00 55.73 54.63 1wkr s ARG 326 Cb -0.18 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1wkr s ARG 326 CO 0.89 -0.43 -0.14 -1.17 -1.08 0.00 0.00 175.30 173.36 1wkr s LEU 327 N -2.95 1.79 0.07 -1.89 0.20 -0.32 -1.52 118.68 114.07 1wkr s LEU 327 Ca 0.15 -0.32 0.06 0.00 0.69 0.00 0.00 54.13 54.71 1wkr s LEU 327 Cb 0.03 -0.87 -0.04 0.00 -0.43 0.00 0.00 46.19 44.88 1wkr s LEU 327 CO -0.01 0.09 -0.08 -0.83 -0.29 0.00 0.00 176.35 175.23 1wkr s GLY 328 N 0.33 1.80 0.03 7.98 0.00 0.08 -1.22 107.32 116.31 1wkr s GLY 328 Ca -0.09 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.49 1wkr s GLY 328 CO 0.03 -1.11 -0.06 -2.27 0.00 0.00 0.00 173.10 169.69 1wkr s LEU 329 N -1.99 2.19 0.02 0.66 2.96 -0.21 -0.62 118.68 121.68 1wkr s LEU 329 Ca 0.21 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1wkr s LEU 329 Cb -0.11 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.45 1wkr s LEU 329 CO 0.13 -0.15 0.23 0.00 -1.32 0.00 0.00 176.35 175.23 1wkr s ALA 330 N -1.05 -0.51 1.09 5.97 0.00 -0.65 -0.85 121.76 125.75 1wkr s ALA 330 Ca -0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1wkr s ALA 330 Cb -0.08 0.19 0.24 0.00 0.00 0.00 0.00 23.12 23.47 1wkr s ALA 330 CO 0.00 -0.30 1.06 0.95 0.00 0.00 0.00 175.76 177.47 1wkr s THR 331 N -1.93 2.08 0.27 0.00 -4.23 -1.26 -0.56 115.64 110.02 1wkr s THR 331 Ca -0.10 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 1wkr s THR 331 Cb -0.04 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1wkr s THR 331 CO -0.00 -0.03 0.17 0.42 -0.54 0.00 0.00 174.62 174.63 1wkr s THR 332 N -2.56 0.17 -0.61 3.99 -4.23 -1.26 -0.85 115.64 110.29 1wkr s THR 332 Ca 0.68 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.35 1wkr s THR 332 Cb -0.24 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.25 1wkr s THR 332 CO 0.62 0.00 1.50 -1.54 -0.54 0.00 0.00 174.62 174.66 1wkr n SER 333 N -0.82 0.36 -0.72 3.99 3.41 -1.26 -1.93 113.62 116.65 1wkr n SER 333 Ca 0.03 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1wkr n SER 333 Cb 0.65 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.98 1wkr n SER 333 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1wkr n PHE 334 N -1.94 0.00 -0.32 7.33 3.72 -1.26 -4.56 117.46 120.43 1wkr n PHE 334 Ca 0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1wkr n PHE 334 Cb 0.11 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.86 1wkr n PHE 334 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1wkr h THR 335 N 3.55 0.87 -0.49 4.37 2.02 -1.54 -1.23 112.91 120.47 1wkr h THR 335 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1wkr h THR 335 Cb 0.78 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1wkr h THR 335 CO 0.00 0.15 0.00 0.35 0.37 0.00 0.00 175.52 176.39 1wkr n THR 336 N -4.73 2.30 -1.40 3.16 -2.24 -1.26 -4.68 114.28 105.43 1wkr n THR 336 Ca 0.16 -1.17 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 1wkr n THR 336 Cb 0.34 -0.30 0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1wkr n THR 336 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wkr s ALA 337 N -2.46 2.08 -0.17 6.98 0.00 -0.47 -4.95 121.76 122.78 1wkr s ALA 337 Ca 0.46 0.94 0.14 0.00 0.00 0.00 0.00 51.96 53.49 1wkr s ALA 337 Cb 0.35 -3.49 0.37 0.00 0.00 0.00 0.00 23.12 20.35 1wkr s ALA 337 CO 0.14 -1.95 1.19 0.25 0.00 0.00 0.00 175.76 175.39 1wkr n THR 338 N -2.73 1.88 0.23 0.00 -2.24 -1.26 -4.64 114.28 105.51 1wkr n THR 338 Ca 0.14 -2.71 0.13 0.00 -2.27 0.00 0.00 64.05 59.34 1wkr n THR 338 Cb 0.50 -0.12 0.26 0.00 -2.10 0.00 0.00 70.33 68.86 1wkr n THR 338 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wkr h SER 339 N 0.70 0.00 0.00 3.42 4.64 -1.94 -3.51 113.55 116.86 1wkr h SER 339 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wkr h SER 339 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1wkr h SER 339 CO 0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.56