#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 s LEU 2 N 0.00 4.54 -1.32 -0.89 1.43 -1.26 -4.96 118.68 116.21 3ek1 s LEU 2 Ca 0.00 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 3ek1 s LEU 2 Cb 0.00 -3.69 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3ek1 s LEU 2 CO 0.00 -0.07 1.89 0.00 0.23 0.00 0.00 176.35 178.40 3ek1 n ALA 3 N 1.14 4.99 -2.58 4.21 0.00 -1.26 -4.97 120.51 122.03 3ek1 n ALA 3 Ca -0.01 -4.13 -0.38 0.00 0.00 0.00 0.00 53.44 48.92 3ek1 n ALA 3 Cb 0.46 -3.22 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 3ek1 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ek1 s LEU 4 N 1.26 4.38 0.23 0.00 1.43 -1.26 -4.97 118.68 119.75 3ek1 s LEU 4 Ca 0.44 0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 3ek1 s LEU 4 Cb 0.08 -2.65 0.22 0.00 0.03 0.00 0.00 46.19 43.87 3ek1 s LEU 4 CO -0.01 0.17 1.77 0.11 0.23 0.00 0.00 176.35 178.61 3ek1 h LYS 5 N 5.66 1.06 -4.16 1.70 1.57 -1.97 -3.35 116.57 117.08 3ek1 h LYS 5 Ca -0.46 -0.23 -0.65 0.00 -1.87 0.00 0.00 60.65 57.44 3ek1 h LYS 5 Cb 1.20 -0.15 -0.40 0.00 0.08 0.00 0.00 32.23 32.95 3ek1 h LYS 5 CO 0.69 0.91 -0.69 0.34 -0.57 0.00 0.00 179.45 180.13 3ek1 s ASP 6 N -6.48 4.56 0.56 0.86 -1.08 -1.26 -4.97 116.67 108.87 3ek1 s ASP 6 Ca -0.11 -2.45 0.37 0.00 -0.52 0.00 0.00 52.55 49.83 3ek1 s ASP 6 Cb 0.15 -1.59 1.75 0.00 -1.46 0.00 0.00 42.92 41.77 3ek1 s ASP 6 CO 0.83 -0.33 2.10 1.55 0.52 0.00 0.00 175.17 179.85 3ek1 h PRO 7 N 7.22 0.00 0.00 4.34 0.13 -1.97 -1.43 132.00 140.29 3ek1 h PRO 7 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3ek1 h PRO 7 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3ek1 h PRO 7 CO 0.58 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.22 3ek1 n SER 8 N -2.98 0.00 0.22 1.44 3.41 -1.26 -2.22 113.62 112.24 3ek1 n SER 8 Ca -0.01 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.09 3ek1 n SER 8 Cb 0.19 -0.39 0.54 0.00 -0.26 0.00 0.00 64.21 64.29 3ek1 n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ek1 h LEU 9 N 0.00 0.00 -8.72 1.04 3.38 -1.65 -3.43 115.31 105.93 3ek1 h LEU 9 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3ek1 h LEU 9 Cb 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.65 3ek1 h LEU 9 CO 0.00 0.00 -0.50 -0.22 0.09 0.00 0.00 178.44 177.81 3ek1 s LEU 10 N -5.70 4.37 0.13 1.67 2.96 -0.94 -3.98 118.68 117.19 3ek1 s LEU 10 Ca 0.03 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3ek1 s LEU 10 Cb 0.09 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3ek1 s LEU 10 CO 0.54 -0.20 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.68 3ek1 s LYS 11 N 1.71 1.90 -0.08 1.98 -0.14 -1.26 -5.02 119.74 118.83 3ek1 s LYS 11 Ca 0.06 -1.18 0.11 0.00 -1.36 0.00 0.00 55.97 53.60 3ek1 s LYS 11 Cb -0.17 -2.15 0.18 0.00 -1.68 0.00 0.00 37.83 34.01 3ek1 s LYS 11 CO 0.10 0.47 1.10 -1.13 -0.76 0.00 0.00 175.35 175.13 3ek1 n SER 12 N 0.58 2.26 -4.20 2.83 3.41 -1.26 -4.85 113.62 112.39 3ek1 n SER 12 Ca -0.14 -2.65 -0.12 0.00 -0.26 0.00 0.00 58.87 55.70 3ek1 n SER 12 Cb 0.53 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3ek1 n SER 12 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ek1 s GLN 13 N -2.12 0.96 0.33 4.33 -0.21 -1.26 -4.01 119.66 117.68 3ek1 s GLN 13 Ca 0.20 -1.42 -0.06 0.00 0.02 0.00 0.00 55.36 54.09 3ek1 s GLN 13 Cb 0.17 -0.26 -0.05 0.00 1.00 0.00 0.00 33.01 33.87 3ek1 s GLN 13 CO 0.02 -0.06 0.61 0.00 -2.12 0.00 0.00 175.29 173.75 3ek1 s LEU 15 N -3.69 5.25 -0.09 0.00 2.96 -0.66 -0.84 118.68 121.60 3ek1 s LEU 15 Ca 0.46 -1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3ek1 s LEU 15 Cb -0.11 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.38 3ek1 s LEU 15 CO 0.31 -0.58 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.05 3ek1 s VAL 16 N 1.82 0.58 -1.53 1.68 1.01 -0.33 -1.48 120.40 122.15 3ek1 s VAL 16 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 3ek1 s VAL 16 Cb -0.21 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.54 3ek1 s VAL 16 CO 0.10 0.29 0.59 -3.20 0.00 0.00 0.00 175.10 172.87 3ek1 n ASN 17 N 5.08 -1.74 -0.23 3.32 5.15 -1.26 -1.58 115.26 124.01 3ek1 n ASN 17 Ca -0.09 -1.00 -0.03 0.00 -0.60 0.00 0.00 54.58 52.87 3ek1 n ASN 17 Cb 0.50 -2.99 -0.01 0.00 -0.53 0.00 0.00 39.78 36.75 3ek1 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek1 n GLY 18 N -1.76 0.50 3.37 8.20 0.00 -1.26 -4.55 105.19 109.70 3ek1 n GLY 18 Ca -0.14 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3ek1 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 19 N -1.55 1.40 -0.29 1.61 0.52 -0.61 -4.99 118.95 115.03 3ek1 s ARG 19 Ca 0.00 -1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 53.58 3ek1 s ARG 19 Cb 0.00 -1.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 3ek1 s ARG 19 CO 0.00 0.29 0.19 -1.58 0.02 0.00 0.00 175.30 174.23 3ek1 s TRP 20 N -2.18 3.22 0.18 -0.53 0.52 -1.26 -1.19 118.94 117.71 3ek1 s TRP 20 Ca 0.20 0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.46 3ek1 s TRP 20 Cb -0.05 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 3ek1 s TRP 20 CO 0.09 -0.19 -0.17 0.96 0.02 0.00 0.00 176.95 177.65 3ek1 s ILE 21 N 1.75 1.81 0.53 2.03 -4.36 -0.02 -4.89 121.20 118.05 3ek1 s ILE 21 Ca 0.07 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.48 3ek1 s ILE 21 Cb -0.16 -1.92 0.05 0.00 1.25 0.00 0.00 42.46 41.68 3ek1 s ILE 21 CO 0.11 -0.42 0.74 -1.81 0.24 0.00 0.00 174.94 173.80 3ek1 s ASP 22 N -2.92 5.23 0.36 4.36 1.01 -1.26 -1.59 116.67 121.86 3ek1 s ASP 22 Ca 0.18 -0.45 -0.28 0.00 0.71 0.00 0.00 52.55 52.71 3ek1 s ASP 22 Cb -0.04 -0.33 -0.10 0.00 1.01 0.00 0.00 42.92 43.45 3ek1 s ASP 22 CO 0.07 -1.16 1.37 0.00 0.21 0.00 0.00 175.17 175.66 3ek1 s ALA 23 N -2.64 3.50 0.27 5.23 0.00 -1.26 -4.92 121.76 121.94 3ek1 s ALA 23 Ca 0.59 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 3ek1 s ALA 23 Cb -0.08 -3.53 0.60 0.00 0.00 0.00 0.00 23.12 20.11 3ek1 s ALA 23 CO 0.37 -0.82 1.62 0.00 0.00 0.00 0.00 175.76 176.93 3ek1 h ALA 24 N 3.15 1.03 -0.25 0.00 0.00 -1.95 0.12 119.26 121.36 3ek1 h ALA 24 Ca -0.50 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 24 Cb 1.23 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3ek1 h ALA 24 CO 0.65 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3ek1 n ASP 25 N -5.34 1.60 0.00 0.00 5.68 -1.26 -4.93 116.55 112.30 3ek1 n ASP 25 Ca 0.18 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3ek1 n ASP 25 Cb 0.61 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3ek1 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 26 N 1.03 0.61 3.77 6.12 0.00 0.40 -4.99 105.19 112.13 3ek1 n GLY 26 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3ek1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 27 N -2.43 3.23 0.20 2.61 -4.23 -1.26 -4.88 115.64 108.87 3ek1 s THR 27 Ca 0.00 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3ek1 s THR 27 Cb 0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3ek1 s THR 27 CO 0.00 -0.27 0.14 0.42 -0.54 0.00 0.00 174.62 174.38 3ek1 s THR 28 N -2.07 0.00 -0.09 3.99 -4.23 -1.26 -1.71 115.64 110.27 3ek1 s THR 28 Ca 0.70 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 3ek1 s THR 28 Cb -0.22 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 3ek1 s THR 28 CO 0.34 -0.02 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.53 3ek1 s ILE 29 N -4.15 2.04 0.27 2.99 1.01 0.07 -4.70 121.20 118.74 3ek1 s ILE 29 Ca 0.38 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 3ek1 s ILE 29 Cb 0.07 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 3ek1 s ILE 29 CO 0.11 0.56 0.89 -0.54 0.00 0.00 0.00 174.94 175.96 3ek1 s LYS 30 N 0.24 4.59 -0.20 2.79 1.02 -1.26 -1.20 119.74 125.72 3ek1 s LYS 30 Ca -0.16 1.28 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 3ek1 s LYS 30 Cb -0.17 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3ek1 s LYS 30 CO 0.08 0.38 -0.11 0.08 -0.92 0.00 0.00 175.35 174.86 3ek1 s VAL 31 N -1.46 2.81 0.07 3.17 1.01 0.21 -4.94 120.40 121.28 3ek1 s VAL 31 Ca 0.46 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.82 3ek1 s VAL 31 Cb -0.20 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3ek1 s VAL 31 CO 0.25 0.47 -0.14 -0.89 0.00 0.00 0.00 175.10 174.79 3ek1 s THR 32 N 1.39 3.07 -0.28 3.92 2.01 -1.26 0.06 115.64 124.55 3ek1 s THR 32 Ca 0.05 -1.23 -0.23 0.00 0.31 0.00 0.00 61.69 60.59 3ek1 s THR 32 Cb -0.14 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 3ek1 s THR 32 CO -0.07 0.22 0.77 0.21 -0.69 0.00 0.00 174.62 175.06 3ek1 s ASN 33 N -1.82 6.68 0.60 3.53 3.84 0.34 -4.75 114.94 123.36 3ek1 s ASN 33 Ca 0.18 0.75 0.39 0.00 0.21 0.00 0.00 52.86 54.38 3ek1 s ASN 33 Cb -0.11 -2.40 1.93 0.00 -0.55 0.00 0.00 41.25 40.12 3ek1 s ASN 33 CO 0.09 -0.55 2.18 1.55 -2.79 0.00 0.00 177.10 177.58 3ek1 h PRO 34 N 7.99 0.00 -0.27 0.43 0.13 -1.78 0.29 132.00 138.79 3ek1 h PRO 34 Ca -0.24 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.73 3ek1 h PRO 34 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3ek1 h PRO 34 CO 0.86 0.00 -0.45 0.00 -0.23 0.00 0.00 178.00 178.18 3ek1 h ALA 35 N 2.01 0.71 0.00 -0.56 0.00 -1.91 -3.41 119.26 116.10 3ek1 h ALA 35 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ek1 h ALA 35 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ek1 h ALA 35 CO 0.00 0.67 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 3ek1 n ASP 36 N -4.01 0.17 0.00 0.00 5.68 -0.99 -4.91 116.55 112.48 3ek1 n ASP 36 Ca -0.02 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 3ek1 n ASP 36 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3ek1 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 37 N -0.01 0.51 3.80 6.12 0.00 0.99 -5.01 105.19 111.59 3ek1 n GLY 37 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ek1 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 38 N -2.30 6.67 -0.25 1.61 1.04 -1.25 -4.67 113.70 114.56 3ek1 s SER 38 Ca 0.00 1.83 -0.18 0.00 0.48 0.00 0.00 55.95 58.08 3ek1 s SER 38 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 3ek1 s SER 38 CO 0.00 -0.55 0.54 -0.69 0.98 0.00 0.00 173.24 173.52 3ek1 s VAL 39 N -2.02 5.06 0.03 5.02 1.01 -1.26 -0.50 120.40 127.73 3ek1 s VAL 39 Ca 0.64 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 3ek1 s VAL 39 Cb -0.14 -3.85 -0.35 0.00 0.00 0.00 0.00 36.38 32.04 3ek1 s VAL 39 CO 0.18 0.09 0.99 0.40 0.00 0.00 0.00 175.10 176.75 3ek1 h ILE 40 N 5.37 1.28 0.00 2.22 2.04 -0.71 -3.48 117.51 124.22 3ek1 h ILE 40 Ca -0.29 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 62.84 3ek1 h ILE 40 Cb 1.14 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 3ek1 h ILE 40 CO 0.73 0.82 0.00 0.61 0.00 0.00 0.00 178.15 180.31 3ek1 n GLY 41 N 1.71 -1.40 3.45 5.37 0.00 -1.17 -5.03 105.19 108.11 3ek1 n GLY 41 Ca -0.17 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 3ek1 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 42 N -2.90 1.98 0.12 2.61 -4.23 -1.26 -0.61 115.64 111.35 3ek1 s THR 42 Ca 0.00 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 58.32 3ek1 s THR 42 Cb 0.00 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 3ek1 s THR 42 CO 0.00 -0.36 -0.09 0.68 -0.54 0.00 0.00 174.62 174.31 3ek1 s VAL 43 N -2.80 0.99 0.69 2.29 -7.23 -0.34 -4.24 120.40 109.75 3ek1 s VAL 43 Ca 0.29 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 3ek1 s VAL 43 Cb 0.01 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.27 3ek1 s VAL 43 CO 0.13 -0.74 1.14 -2.84 -0.31 0.00 0.00 175.10 172.48 3ek1 s PRO 44 N -3.55 2.55 -0.76 4.82 0.02 -1.26 -0.75 135.00 136.08 3ek1 s PRO 44 Ca 0.13 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 3ek1 s PRO 44 Cb 0.02 -1.91 0.19 0.00 0.02 0.00 0.00 34.50 32.82 3ek1 s PRO 44 CO -0.01 -1.47 0.62 0.45 -0.33 0.00 0.00 177.00 176.27 3ek1 s SER 45 N -2.43 5.83 0.39 2.53 0.15 -0.70 -3.82 113.70 115.66 3ek1 s SER 45 Ca 0.69 -3.07 -0.26 0.00 0.70 0.00 0.00 55.95 54.01 3ek1 s SER 45 Cb -0.23 -1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 62.04 3ek1 s SER 45 CO 0.43 -0.36 1.20 -0.76 1.20 0.00 0.00 173.24 174.95 3ek1 s LEU 46 N -0.39 4.22 0.67 3.45 1.43 -0.05 -4.74 118.68 123.28 3ek1 s LEU 46 Ca 0.20 2.42 -0.10 0.00 -1.03 0.00 0.00 54.13 55.63 3ek1 s LEU 46 Cb -0.15 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.13 3ek1 s LEU 46 CO -0.07 -0.68 1.04 -0.94 0.23 0.00 0.00 176.35 175.93 3ek1 s SER 47 N -1.01 5.47 0.23 2.29 1.04 -1.26 -4.56 113.70 115.89 3ek1 s SER 47 Ca 0.56 1.00 -0.08 0.00 0.48 0.00 0.00 55.95 57.91 3ek1 s SER 47 Cb -0.33 -1.84 0.23 0.00 0.10 0.00 0.00 66.02 64.18 3ek1 s SER 47 CO 0.41 -1.27 1.88 0.58 0.98 0.00 0.00 173.24 175.83 3ek1 h VAL 48 N -0.52 1.17 -0.25 5.02 2.07 -1.96 -0.48 116.25 121.29 3ek1 h VAL 48 Ca -0.45 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3ek1 h VAL 48 Cb 1.26 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3ek1 h VAL 48 CO 0.63 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 178.32 3ek1 h ALA 49 N 1.34 0.11 -0.69 1.67 0.00 -1.99 0.28 119.26 119.98 3ek1 h ALA 49 Ca 0.33 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3ek1 h ALA 49 Cb -0.05 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ek1 h ALA 49 CO -0.10 -0.51 0.22 1.15 0.00 0.00 0.00 179.25 180.01 3ek1 h THR 50 N -0.06 1.25 -0.84 0.00 2.02 -1.82 -2.05 112.91 111.41 3ek1 h THR 50 Ca 0.13 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3ek1 h THR 50 Cb 0.26 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3ek1 h THR 50 CO -0.29 0.33 0.54 0.40 0.37 0.00 0.00 175.52 176.87 3ek1 h ILE 51 N 1.01 1.13 -0.84 3.11 1.08 0.21 -0.37 117.51 122.85 3ek1 h ILE 51 Ca 0.22 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3ek1 h ILE 51 Cb 0.28 -0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 3ek1 h ILE 51 CO -0.01 0.19 0.51 0.11 -0.69 0.00 0.00 178.15 178.27 3ek1 h LYS 52 N 1.05 1.14 -0.54 2.37 1.57 -0.02 -0.07 116.57 122.05 3ek1 h LYS 52 Ca 0.33 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3ek1 h LYS 52 Cb 0.01 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3ek1 h LYS 52 CO -0.12 0.79 0.05 0.93 -0.57 0.00 0.00 179.45 180.53 3ek1 h GLU 53 N 1.16 0.89 -0.62 3.15 5.08 -0.65 -0.63 114.58 122.96 3ek1 h GLU 53 Ca 0.30 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3ek1 h GLU 53 Cb -0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3ek1 h GLU 53 CO -0.06 0.86 0.08 0.00 -1.00 0.00 0.00 179.01 178.89 3ek1 h ALA 54 N 1.21 0.83 -0.63 3.43 0.00 -0.10 0.26 119.26 124.26 3ek1 h ALA 54 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3ek1 h ALA 54 Cb 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ek1 h ALA 54 CO 0.02 0.61 0.23 0.82 0.00 0.00 0.00 179.25 180.93 3ek1 h ILE 55 N 0.96 1.24 -0.43 0.00 2.04 -0.78 0.37 117.51 120.91 3ek1 h ILE 55 Ca 0.19 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3ek1 h ILE 55 Cb 0.46 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3ek1 h ILE 55 CO 0.02 0.30 0.19 0.44 0.00 0.00 0.00 178.15 179.10 3ek1 h ASP 56 N 0.89 0.58 -0.26 1.72 3.32 -0.92 -1.71 116.42 120.04 3ek1 h ASP 56 Ca 0.21 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ek1 h ASP 56 Cb 0.23 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3ek1 h ASP 56 CO -0.01 0.56 0.06 0.00 -1.72 0.00 0.00 179.24 178.13 3ek1 h ALA 57 N 1.04 1.48 -0.13 3.45 0.00 -0.56 -0.78 119.26 123.75 3ek1 h ALA 57 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 57 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ek1 h ALA 57 CO -0.02 0.38 0.00 1.03 0.00 0.00 0.00 179.25 180.65 3ek1 h SER 58 N 0.49 0.22 -0.43 0.00 0.87 -0.67 -1.85 113.55 112.19 3ek1 h SER 58 Ca 0.11 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 3ek1 h SER 58 Cb 0.22 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3ek1 h SER 58 CO -0.00 0.47 0.18 0.00 -0.53 0.00 0.00 176.83 176.95 3ek1 h ALA 59 N 0.76 1.41 -0.16 6.23 0.00 -1.10 -1.67 119.26 124.72 3ek1 h ALA 59 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 59 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ek1 h ALA 59 CO 0.01 0.45 -0.49 -0.22 0.00 0.00 0.00 179.25 178.99 3ek1 h LYS 60 N 0.69 0.43 0.00 0.00 3.64 -0.79 -3.06 116.57 117.48 3ek1 h LYS 60 Ca 0.17 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3ek1 h LYS 60 Cb 0.16 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ek1 h LYS 60 CO -0.01 0.83 -0.03 0.00 -2.27 0.00 0.00 179.45 177.96 3ek1 h ALA 61 N 1.13 0.99 -0.67 5.00 0.00 -0.81 -3.36 119.26 121.53 3ek1 h ALA 61 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 61 Cb 0.99 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3ek1 h ALA 61 CO 0.09 0.04 0.39 1.25 0.00 0.00 0.00 179.25 181.02 3ek1 h LEU 62 N 0.00 0.61 0.32 0.00 5.85 -1.21 -2.64 115.31 118.23 3ek1 h LEU 62 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ek1 h LEU 62 Cb 0.78 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ek1 h LEU 62 CO 0.00 0.40 -0.34 0.28 -0.34 0.00 0.00 178.44 178.44 3ek1 h SER 63 N 0.74 -0.94 0.33 1.25 0.02 -1.75 -0.77 113.55 112.43 3ek1 h SER 63 Ca 0.29 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.27 3ek1 h SER 63 Cb 0.12 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3ek1 h SER 63 CO -0.15 -0.48 -0.28 1.23 -1.14 0.00 0.00 176.83 176.01 3ek1 h GLY 64 N -0.70 0.00 0.58 -3.77 0.00 -1.81 -0.85 103.07 96.52 3ek1 h GLY 64 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 3ek1 h GLY 64 CO -0.08 0.00 -0.46 -0.25 0.00 0.00 0.00 176.54 175.75 3ek1 h TRP 65 N 0.00 0.41 -0.02 5.60 2.91 -1.27 -3.05 115.95 120.53 3ek1 h TRP 65 Ca -0.00 -0.24 -0.06 0.00 1.13 0.00 0.00 58.89 59.71 3ek1 h TRP 65 Cb 0.52 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 3ek1 h TRP 65 CO 0.00 1.09 -0.28 0.00 -1.03 0.00 0.00 178.44 178.22 3ek1 h ALA 66 N 0.22 1.49 -0.00 2.65 0.00 -1.06 -2.33 119.26 120.24 3ek1 h ALA 66 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ek1 h ALA 66 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ek1 h ALA 66 CO 0.09 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.67 3ek1 n ALA 67 N -2.48 2.48 -1.15 0.00 0.00 -0.33 -4.80 120.51 114.22 3ek1 n ALA 67 Ca -0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 3ek1 n ALA 67 Cb 0.34 -1.43 0.11 0.00 0.00 0.00 0.00 19.45 18.46 3ek1 n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ek1 s LYS 68 N -2.94 2.01 0.79 0.00 1.02 -0.88 -5.02 119.74 114.73 3ek1 s LYS 68 Ca 0.16 1.26 -0.10 0.00 0.02 0.00 0.00 55.97 57.30 3ek1 s LYS 68 Cb 0.19 -1.86 0.07 0.00 -0.52 0.00 0.00 37.83 35.70 3ek1 s LYS 68 CO 0.54 -1.84 1.10 0.95 -0.92 0.00 0.00 175.35 175.18 3ek1 s THR 69 N -2.83 3.17 0.22 2.17 -4.23 -1.26 -4.90 115.64 107.98 3ek1 s THR 69 Ca 0.63 0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 61.44 3ek1 s THR 69 Cb -0.18 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 71.03 3ek1 s THR 69 CO 0.56 -0.50 1.85 0.00 -0.54 0.00 0.00 174.62 175.99 3ek1 h ALA 70 N -1.21 1.10 -0.81 3.99 0.00 -1.94 -2.18 119.26 118.21 3ek1 h ALA 70 Ca -0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3ek1 h ALA 70 Cb 1.24 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3ek1 h ALA 70 CO 0.50 0.60 0.45 -0.22 0.00 0.00 0.00 179.25 180.59 3ek1 h LYS 71 N 1.19 1.12 -0.17 0.00 3.64 -1.92 0.16 116.57 120.59 3ek1 h LYS 71 Ca 0.30 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3ek1 h LYS 71 Cb 0.03 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3ek1 h LYS 71 CO -0.05 0.82 0.04 0.93 -2.27 0.00 0.00 179.45 178.92 3ek1 h GLU 72 N 1.12 0.28 -0.72 1.90 5.08 -1.78 -1.33 114.58 119.13 3ek1 h GLU 72 Ca 0.29 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3ek1 h GLU 72 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3ek1 h GLU 72 CO -0.05 0.42 0.31 0.00 -1.00 0.00 0.00 179.01 178.70 3ek1 h ARG 73 N 0.08 1.04 -0.63 2.33 3.08 -1.03 -2.22 114.38 117.02 3ek1 h ARG 73 Ca 0.05 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3ek1 h ARG 73 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ek1 h ARG 73 CO 0.00 0.82 0.08 0.00 -1.07 0.00 0.00 179.97 179.80 3ek1 h ALA 74 N 1.32 0.85 -0.65 0.04 0.00 -0.44 -0.67 119.26 119.70 3ek1 h ALA 74 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 74 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ek1 h ALA 74 CO -0.03 0.63 0.38 0.78 0.00 0.00 0.00 179.25 181.01 3ek1 h GLY 75 N 0.98 0.95 0.96 0.00 0.00 -0.92 -0.42 103.07 104.62 3ek1 h GLY 75 Ca 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3ek1 h GLY 75 CO 0.02 0.39 0.09 -2.22 0.00 0.00 0.00 176.54 174.83 3ek1 h ILE 76 N 0.88 1.24 -0.49 2.60 2.04 -1.20 -1.53 117.51 121.05 3ek1 h ILE 76 Ca 0.23 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.15 3ek1 h ILE 76 Cb -0.00 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3ek1 h ILE 76 CO -0.04 0.30 -0.05 -0.07 0.00 0.00 0.00 178.15 178.29 3ek1 h LEU 77 N 0.61 0.85 -1.03 1.44 3.38 -0.95 -2.19 115.31 117.42 3ek1 h LEU 77 Ca 0.14 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3ek1 h LEU 77 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ek1 h LEU 77 CO 0.00 0.94 0.15 -0.09 0.09 0.00 0.00 178.44 179.54 3ek1 h ARG 78 N 0.79 0.85 -0.88 1.13 2.43 -0.90 -0.10 114.38 117.69 3ek1 h ARG 78 Ca 0.14 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3ek1 h ARG 78 Cb 0.55 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3ek1 h ARG 78 CO 0.03 0.75 0.57 0.87 -1.51 0.00 0.00 179.97 180.68 3ek1 h LYS 79 N 0.83 1.18 -0.26 0.20 1.57 -0.97 0.10 116.57 119.22 3ek1 h LYS 79 Ca 0.18 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3ek1 h LYS 79 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ek1 h LYS 79 CO -0.00 0.80 0.11 2.35 -0.57 0.00 0.00 179.45 182.14 3ek1 h TRP 80 N 1.21 0.38 -0.00 -1.35 7.01 -0.77 -0.85 115.95 121.57 3ek1 h TRP 80 Ca 0.32 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.33 3ek1 h TRP 80 Cb -0.10 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.79 3ek1 h TRP 80 CO -0.01 0.37 -0.30 0.35 -2.79 0.00 0.00 178.44 176.07 3ek1 h PHE 81 N 0.27 -0.82 -0.93 2.65 3.57 -0.80 -0.34 116.94 120.54 3ek1 h PHE 81 Ca 0.09 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3ek1 h PHE 81 Cb 0.15 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 3ek1 h PHE 81 CO -0.02 -0.39 0.58 -0.44 -2.23 0.00 0.00 178.31 175.81 3ek1 h ASP 82 N -0.45 0.87 -0.56 0.41 3.32 -0.88 -1.43 116.42 117.70 3ek1 h ASP 82 Ca 0.06 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3ek1 h ASP 82 Cb 0.53 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3ek1 h ASP 82 CO -0.25 0.51 0.14 -0.07 -1.72 0.00 0.00 179.24 177.84 3ek1 h LEU 83 N 0.97 0.85 -0.60 1.55 3.38 -0.66 -1.00 115.31 119.81 3ek1 h LEU 83 Ca 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3ek1 h LEU 83 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ek1 h LEU 83 CO -0.23 0.86 0.31 0.40 0.09 0.00 0.00 178.44 179.88 3ek1 h ILE 84 N 0.80 1.20 -0.39 1.22 2.04 -0.45 -1.64 117.51 120.29 3ek1 h ILE 84 Ca 0.18 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ek1 h ILE 84 Cb 0.34 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3ek1 h ILE 84 CO 0.00 0.22 0.20 0.40 0.00 0.00 0.00 178.15 178.97 3ek1 h ILE 85 N 0.81 1.17 0.00 -0.67 1.08 -1.07 -0.81 117.51 118.01 3ek1 h ILE 85 Ca 0.21 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3ek1 h ILE 85 Cb 0.07 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3ek1 h ILE 85 CO -0.03 0.18 -0.09 0.00 -0.69 0.00 0.00 178.15 177.52 3ek1 h ALA 86 N 1.05 1.07 -0.26 1.87 0.00 -0.81 -2.55 119.26 119.62 3ek1 h ALA 86 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 86 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ek1 h ALA 86 CO -0.02 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.43 3ek1 n ASN 87 N -3.29 3.76 -0.33 0.00 3.02 -0.65 -4.77 115.26 113.00 3ek1 n ASN 87 Ca -0.00 -3.07 0.10 0.00 -0.03 0.00 0.00 54.58 51.57 3ek1 n ASN 87 Cb 0.30 -0.55 0.30 0.00 -0.61 0.00 0.00 39.78 39.22 3ek1 n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ek1 h ALA 88 N 1.70 1.65 -0.20 5.41 0.00 -0.72 -2.21 119.26 124.88 3ek1 h ALA 88 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 88 Cb 1.46 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ek1 h ALA 88 CO 0.23 0.09 -0.12 -0.44 0.00 0.00 0.00 179.25 179.02 3ek1 h ASP 89 N 0.86 0.46 -0.11 0.00 3.32 -1.86 -0.55 116.42 118.54 3ek1 h ASP 89 Ca 0.49 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ek1 h ASP 89 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3ek1 h ASP 89 CO -0.26 0.78 0.02 0.44 -1.72 0.00 0.00 179.24 178.51 3ek1 h ASP 90 N 0.13 0.01 -0.86 6.45 3.32 -1.88 -2.02 116.42 121.57 3ek1 h ASP 90 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ek1 h ASP 90 Cb 0.62 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 3ek1 h ASP 90 CO 0.03 0.02 0.55 0.40 -1.72 0.00 0.00 179.24 178.53 3ek1 h ILE 91 N 0.07 1.23 -0.67 0.35 2.04 -1.31 -1.39 117.51 117.82 3ek1 h ILE 91 Ca 0.05 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3ek1 h ILE 91 Cb 0.04 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3ek1 h ILE 91 CO -0.06 0.22 0.44 0.00 0.00 0.00 0.00 178.15 178.75 3ek1 h ALA 92 N 1.30 1.52 -0.09 1.87 0.00 -0.89 -0.35 119.26 122.63 3ek1 h ALA 92 Ca 0.31 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 92 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.42 3ek1 h ALA 92 CO -0.07 0.44 -0.88 1.25 0.00 0.00 0.00 179.25 180.00 3ek1 h LEU 93 N 0.90 0.91 -0.32 0.00 5.85 -0.61 -0.89 115.31 121.16 3ek1 h LEU 93 Ca 0.24 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3ek1 h LEU 93 Cb -0.10 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 3ek1 h LEU 93 CO -0.05 1.45 0.15 0.40 -0.34 0.00 0.00 178.44 180.04 3ek1 h ILE 94 N 0.47 0.97 -0.12 4.05 2.04 -0.70 -0.68 117.51 123.54 3ek1 h ILE 94 Ca -0.08 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3ek1 h ILE 94 Cb 1.52 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3ek1 h ILE 94 CO 0.18 0.06 0.04 -0.03 0.00 0.00 0.00 178.15 178.39 3ek1 h MET 95 N 0.32 0.19 -0.75 2.37 4.05 -0.96 -1.26 114.93 118.89 3ek1 h MET 95 Ca 0.14 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.56 3ek1 h MET 95 Cb 0.06 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 3ek1 h MET 95 CO -0.10 0.34 0.49 1.15 0.23 0.00 0.00 176.91 179.02 3ek1 h THR 96 N 0.01 1.07 0.03 -0.77 2.02 -1.09 0.15 112.91 114.34 3ek1 h THR 96 Ca 0.04 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3ek1 h THR 96 Cb 0.23 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3ek1 h THR 96 CO -0.00 0.15 -0.02 0.28 0.37 0.00 0.00 175.52 176.31 3ek1 h SER 97 N 0.84 -0.04 0.73 4.18 0.02 -0.44 -0.55 113.55 118.30 3ek1 h SER 97 Ca 0.31 -0.18 -0.24 0.00 -0.84 0.00 0.00 61.79 60.83 3ek1 h SER 97 Cb 0.16 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3ek1 h SER 97 CO -0.10 0.16 -1.39 1.05 -1.14 0.00 0.00 176.83 175.42 3ek1 h GLU 98 N -0.24 0.00 0.00 3.45 4.11 -1.09 -3.37 114.58 117.44 3ek1 h GLU 98 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 3ek1 h GLU 98 Cb 0.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3ek1 h GLU 98 CO 0.01 0.62 -2.30 0.94 0.07 0.00 0.00 179.01 178.35 3ek1 n GLN 99 N -3.13 0.90 0.00 1.06 0.00 0.52 -4.48 117.38 112.25 3ek1 n GLN 99 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 3ek1 n GLN 99 Cb 0.97 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.73 3ek1 n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ek1 n GLY 100 N 1.89 2.11 3.72 1.69 0.00 -0.22 -4.70 105.19 109.70 3ek1 n GLY 100 Ca -0.32 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3ek1 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek1 s LYS 101 N 0.00 2.29 0.64 1.61 -2.85 -1.26 -4.15 119.74 116.02 3ek1 s LYS 101 Ca 0.00 1.88 -0.16 0.00 -1.00 0.00 0.00 55.97 56.69 3ek1 s LYS 101 Cb 0.00 -1.84 -0.01 0.00 -2.06 0.00 0.00 37.83 33.93 3ek1 s LYS 101 CO 0.00 -1.75 1.14 -2.14 0.10 0.00 0.00 175.35 172.69 3ek1 s PRO 102 N -3.69 2.80 0.33 1.78 0.02 -1.26 -4.40 135.00 130.58 3ek1 s PRO 102 Ca 0.78 1.53 0.08 0.00 0.02 0.00 0.00 61.00 63.41 3ek1 s PRO 102 Cb -0.32 -1.94 0.82 0.00 0.02 0.00 0.00 34.50 33.07 3ek1 s PRO 102 CO 0.43 -1.27 1.78 -0.07 -0.33 0.00 0.00 177.00 177.54 3ek1 h LEU 103 N 0.26 0.71 -0.90 -5.54 3.38 -1.73 0.55 115.31 112.04 3ek1 h LEU 103 Ca -0.48 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3ek1 h LEU 103 Cb 1.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3ek1 h LEU 103 CO 0.54 0.24 -0.24 0.00 0.09 0.00 0.00 178.44 179.07 3ek1 h ALA 104 N 1.64 1.07 -0.33 1.53 0.00 -1.90 0.29 119.26 121.57 3ek1 h ALA 104 Ca 0.57 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 104 Cb 1.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ek1 h ALA 104 CO -0.36 0.57 -0.33 0.93 0.00 0.00 0.00 179.25 180.06 3ek1 h GLU 105 N 0.47 0.80 -0.24 0.00 5.08 -1.53 -1.49 114.58 117.68 3ek1 h GLU 105 Ca 0.07 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3ek1 h GLU 105 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3ek1 h GLU 105 CO 0.05 1.06 0.12 0.00 -1.00 0.00 0.00 179.01 179.24 3ek1 h ALA 106 N 0.73 0.31 -0.30 3.43 0.00 -0.38 0.14 119.26 123.18 3ek1 h ALA 106 Ca 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 106 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ek1 h ALA 106 CO 0.08 -0.14 -0.26 -0.09 0.00 0.00 0.00 179.25 178.84 3ek1 h ARG 107 N 0.26 0.60 -0.91 0.00 2.43 -0.46 0.14 114.38 116.45 3ek1 h ARG 107 Ca 0.08 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3ek1 h ARG 107 Cb 0.10 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3ek1 h ARG 107 CO -0.01 0.81 0.60 0.78 -1.51 0.00 0.00 179.97 180.64 3ek1 h GLY 108 N 1.01 1.28 1.08 2.80 0.00 -0.84 -2.13 103.07 106.27 3ek1 h GLY 108 Ca 0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 3ek1 h GLY 108 CO 0.06 0.46 -0.00 -2.09 0.00 0.00 0.00 176.54 174.97 3ek1 h GLU 109 N 1.22 1.07 -0.66 4.80 4.81 0.12 -1.68 114.58 124.26 3ek1 h GLU 109 Ca 0.33 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3ek1 h GLU 109 Cb -0.13 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3ek1 h GLU 109 CO -0.07 1.04 0.43 0.28 -0.73 0.00 0.00 179.01 179.96 3ek1 h VAL 110 N 0.97 1.17 -0.45 0.32 2.07 -0.52 0.31 116.25 120.11 3ek1 h VAL 110 Ca 0.17 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 3ek1 h VAL 110 Cb 0.56 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3ek1 h VAL 110 CO 0.03 0.17 -0.19 -0.07 0.02 0.00 0.00 177.57 177.53 3ek1 h LEU 111 N 0.90 0.91 0.08 2.57 4.07 -1.01 0.00 115.31 122.82 3ek1 h LEU 111 Ca 0.24 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 3ek1 h LEU 111 Cb -0.10 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.40 3ek1 h LEU 111 CO -0.05 1.08 -0.04 0.22 -1.08 0.00 0.00 178.44 178.56 3ek1 h TYR 112 N 0.78 -0.10 -0.26 1.13 3.20 -0.92 -0.72 116.97 120.07 3ek1 h TYR 112 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 3ek1 h TYR 112 Cb 0.74 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 3ek1 h TYR 112 CO 0.04 0.01 -0.25 0.00 -1.64 0.00 0.00 178.16 176.33 3ek1 h ALA 113 N 0.72 -0.12 -0.88 1.82 0.00 -0.26 -1.80 119.26 118.72 3ek1 h ALA 113 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.11 3ek1 h ALA 113 Cb 0.16 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3ek1 h ALA 113 CO 0.02 -0.67 0.57 0.00 0.00 0.00 0.00 179.25 179.17 3ek1 h ALA 114 N 0.81 1.80 -0.29 0.00 0.00 -0.85 -2.95 119.26 117.78 3ek1 h ALA 114 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ek1 h ALA 114 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ek1 h ALA 114 CO -0.41 -0.03 0.10 0.66 0.00 0.00 0.00 179.25 179.57 3ek1 h SER 115 N 0.72 0.37 -0.42 0.00 4.64 -0.22 -1.21 113.55 117.43 3ek1 h SER 115 Ca 0.44 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.67 3ek1 h SER 115 Cb 0.66 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3ek1 h SER 115 CO -0.20 0.35 0.06 -0.26 -0.87 0.00 0.00 176.83 175.92 3ek1 h PHE 116 N 0.41 0.80 -0.23 4.77 0.04 -1.50 0.16 116.94 121.38 3ek1 h PHE 116 Ca 0.10 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3ek1 h PHE 116 Cb 0.11 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3ek1 h PHE 116 CO 0.00 0.71 -0.02 0.82 -0.60 0.00 0.00 178.31 179.22 3ek1 h ILE 117 N 0.73 1.27 -0.04 -0.55 2.04 -1.35 0.11 117.51 119.73 3ek1 h ILE 117 Ca 0.15 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.07 3ek1 h ILE 117 Cb 0.35 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3ek1 h ILE 117 CO 0.01 0.30 -0.07 -0.08 0.00 0.00 0.00 178.15 178.30 3ek1 h GLU 118 N 0.18 -0.11 -0.80 2.37 4.81 -1.23 -0.61 114.58 119.20 3ek1 h GLU 118 Ca 0.06 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3ek1 h GLU 118 Cb 0.45 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3ek1 h GLU 118 CO 0.02 -0.07 0.43 2.35 -0.73 0.00 0.00 179.01 181.00 3ek1 h TRP 119 N -0.11 1.11 0.00 0.92 2.91 -0.51 -2.52 115.95 117.76 3ek1 h TRP 119 Ca 0.04 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3ek1 h TRP 119 Cb 0.17 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.46 3ek1 h TRP 119 CO -0.16 0.79 -0.13 0.74 -1.03 0.00 0.00 178.44 178.65 3ek1 h PHE 120 N 1.12 0.00 -0.62 2.65 0.04 -0.69 -1.10 116.94 118.34 3ek1 h PHE 120 Ca 0.28 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.08 3ek1 h PHE 120 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3ek1 h PHE 120 CO 0.01 0.00 0.38 0.00 -0.60 0.00 0.00 178.31 178.10 3ek1 h ALA 121 N 2.01 0.80 -0.20 2.45 0.00 -0.80 -0.74 119.26 122.79 3ek1 h ALA 121 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3ek1 h ALA 121 Cb 0.99 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ek1 h ALA 121 CO 0.00 0.13 -0.58 0.93 0.00 0.00 0.00 179.25 179.73 3ek1 h GLU 122 N 0.75 0.63 0.00 0.00 5.08 -1.09 -2.93 114.58 117.02 3ek1 h GLU 122 Ca 0.25 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3ek1 h GLU 122 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ek1 h GLU 122 CO -0.10 1.03 -0.18 0.93 -1.00 0.00 0.00 179.01 179.69 3ek1 h GLU 123 N 0.47 0.00 -0.34 2.33 4.39 -0.88 -2.97 114.58 117.59 3ek1 h GLU 123 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3ek1 h GLU 123 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3ek1 h GLU 123 CO 0.11 0.18 0.23 0.00 -1.16 0.00 0.00 179.01 178.37 3ek1 h ALA 124 N 1.82 1.94 -0.01 3.43 0.00 -0.94 0.85 119.26 126.35 3ek1 h ALA 124 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 124 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ek1 h ALA 124 CO 0.02 0.01 -0.01 1.63 0.00 0.00 0.00 179.25 180.91 3ek1 n LYS 125 N -4.49 1.32 -0.56 0.00 5.02 -1.12 -3.89 118.16 114.44 3ek1 n LYS 125 Ca 0.03 -0.51 0.06 0.00 -2.02 0.00 0.00 58.31 55.88 3ek1 n LYS 125 Cb 0.18 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.84 3ek1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ek1 n ARG 126 N -0.40 1.09 -2.61 1.97 1.74 0.28 -4.92 116.66 113.83 3ek1 n ARG 126 Ca 0.21 -2.65 -0.42 0.00 -0.77 0.00 0.00 57.85 54.22 3ek1 n ARG 126 Cb 0.25 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3ek1 n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ek1 s VAL 127 N -2.31 4.05 -0.04 1.55 1.01 -1.17 -4.97 120.40 118.50 3ek1 s VAL 127 Ca 0.32 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3ek1 s VAL 127 Cb 0.31 -5.04 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 3ek1 s VAL 127 CO -0.05 -1.90 0.41 -0.31 0.00 0.00 0.00 175.10 173.26 3ek1 s TYR 128 N 4.60 3.65 0.41 5.22 2.02 -1.26 -4.91 117.35 127.08 3ek1 s TYR 128 Ca 0.45 0.93 0.02 0.00 -0.37 0.00 0.00 57.07 58.11 3ek1 s TYR 128 Cb -0.00 -2.36 0.08 0.00 -0.40 0.00 0.00 41.96 39.28 3ek1 s TYR 128 CO -0.08 0.49 0.57 0.41 -1.57 0.00 0.00 175.55 175.37 3ek1 n GLY 129 N 2.33 1.20 3.35 0.71 0.00 -1.26 -4.85 105.19 106.67 3ek1 n GLY 129 Ca -0.12 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 3ek1 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ek1 s ASP 130 N -3.40 2.78 0.07 1.61 1.01 -0.28 -4.96 116.67 113.49 3ek1 s ASP 130 Ca 0.40 -0.91 0.08 0.00 0.71 0.00 0.00 52.55 52.83 3ek1 s ASP 130 Cb -0.03 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 3ek1 s ASP 130 CO 0.26 -0.05 -0.17 0.42 0.21 0.00 0.00 175.17 175.84 3ek1 s THR 131 N -2.25 2.89 -0.03 -1.27 -4.23 -1.26 -0.93 115.64 108.56 3ek1 s THR 131 Ca 0.18 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3ek1 s THR 131 Cb -0.05 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.54 3ek1 s THR 131 CO 0.07 0.24 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.73 3ek1 s ILE 132 N -1.03 0.45 0.19 2.99 1.01 -0.92 -5.00 121.20 118.88 3ek1 s ILE 132 Ca 0.16 -0.10 -0.33 0.00 0.00 0.00 0.00 60.65 60.39 3ek1 s ILE 132 Cb -0.11 -0.47 -0.13 0.00 0.01 0.00 0.00 42.46 41.76 3ek1 s ILE 132 CO 0.08 0.19 1.56 -2.65 0.00 0.00 0.00 174.94 174.11 3ek1 n PRO 133 N 3.87 2.22 -2.90 2.79 -0.02 -1.26 -3.94 135.00 135.76 3ek1 n PRO 133 Ca -0.24 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 3ek1 n PRO 133 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3ek1 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 s ALA 134 N 0.67 3.38 -0.50 3.55 0.00 -1.26 -4.96 121.76 122.63 3ek1 s ALA 134 Ca 0.75 0.43 0.24 0.00 0.00 0.00 0.00 51.96 53.38 3ek1 s ALA 134 Cb -0.65 -3.06 0.97 0.00 0.00 0.00 0.00 23.12 20.38 3ek1 s ALA 134 CO 0.41 0.18 1.72 -2.30 0.00 0.00 0.00 175.76 175.77 3ek1 n PRO 135 N 2.02 0.21 -4.96 0.00 -0.02 -1.26 -4.69 135.00 126.30 3ek1 n PRO 135 Ca -0.03 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 3ek1 n PRO 135 Cb 0.49 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 3ek1 n PRO 135 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ek1 s GLN 136 N -3.30 1.95 0.58 -0.52 -0.21 -1.26 -5.12 119.66 111.78 3ek1 s GLN 136 Ca 0.05 -1.03 -0.20 0.00 0.02 0.00 0.00 55.36 54.20 3ek1 s GLN 136 Cb 0.10 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 3ek1 s GLN 136 CO 0.42 0.53 1.30 -0.80 -2.12 0.00 0.00 175.29 174.63 3ek1 s ASN 137 N -1.10 5.09 0.00 5.90 0.01 -1.26 -3.28 114.94 120.30 3ek1 s ASN 137 Ca 0.12 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.90 3ek1 s ASN 137 Cb -0.10 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3ek1 s ASN 137 CO 0.02 -1.68 0.00 0.61 -1.51 0.00 0.00 177.10 174.54 3ek1 n GLY 138 N 0.73 0.79 3.29 0.66 0.00 -1.26 -5.03 105.19 104.37 3ek1 n GLY 138 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3ek1 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek1 s GLN 139 N -0.26 1.15 -0.04 1.61 -0.21 -1.21 -0.68 119.66 120.03 3ek1 s GLN 139 Ca 0.00 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.19 3ek1 s GLN 139 Cb 0.00 -1.37 0.01 0.00 1.00 0.00 0.00 33.01 32.65 3ek1 s GLN 139 CO 0.00 0.31 -0.09 1.03 -2.12 0.00 0.00 175.29 174.42 3ek1 s ARG 140 N -2.09 1.09 -0.14 2.91 1.81 -0.36 -4.63 118.95 117.55 3ek1 s ARG 140 Ca 0.08 -0.29 -0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3ek1 s ARG 140 Cb -0.09 -1.00 -0.01 0.00 -0.45 0.00 0.00 34.95 33.40 3ek1 s ARG 140 CO 0.05 0.06 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.09 3ek1 s LEU 141 N 0.42 2.71 0.09 2.53 1.43 -1.25 -1.24 118.68 123.37 3ek1 s LEU 141 Ca -0.07 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3ek1 s LEU 141 Cb -0.11 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3ek1 s LEU 141 CO 0.01 0.15 -0.17 -0.89 0.23 0.00 0.00 176.35 175.68 3ek1 s THR 142 N 0.44 1.44 -0.09 5.49 2.01 0.48 -2.17 115.64 123.23 3ek1 s THR 142 Ca -0.10 -1.47 0.02 0.00 0.31 0.00 0.00 61.69 60.45 3ek1 s THR 142 Cb -0.16 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3ek1 s THR 142 CO 0.05 -0.16 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.00 3ek1 s VAL 143 N -1.31 1.27 0.28 3.82 1.01 -0.11 -0.27 120.40 125.09 3ek1 s VAL 143 Ca 0.03 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.60 3ek1 s VAL 143 Cb -0.09 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3ek1 s VAL 143 CO 0.03 0.39 -0.16 0.27 0.00 0.00 0.00 175.10 175.64 3ek1 s ILE 144 N 0.95 2.21 -0.08 2.22 -4.36 -0.66 -1.13 121.20 120.35 3ek1 s ILE 144 Ca -0.08 -2.31 0.03 0.00 -0.26 0.00 0.00 60.65 58.03 3ek1 s ILE 144 Cb -0.15 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3ek1 s ILE 144 CO -0.00 -0.40 -0.18 -0.13 0.24 0.00 0.00 174.94 174.48 3ek1 s ARG 145 N -3.57 2.28 0.10 0.37 0.52 -1.26 -0.44 118.95 116.95 3ek1 s ARG 145 Ca 0.29 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 3ek1 s ARG 145 Cb -0.02 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 3ek1 s ARG 145 CO 0.13 0.10 -0.08 -0.65 0.02 0.00 0.00 175.30 174.83 3ek1 s GLN 146 N 0.49 0.86 0.44 3.54 -0.21 -0.55 -4.93 119.66 119.30 3ek1 s GLN 146 Ca -0.16 -1.29 -0.25 0.00 0.02 0.00 0.00 55.36 53.69 3ek1 s GLN 146 Cb -0.17 -0.36 -0.08 0.00 1.00 0.00 0.00 33.01 33.41 3ek1 s GLN 146 CO 0.06 0.03 1.28 -1.25 -2.12 0.00 0.00 175.29 173.29 3ek1 s PRO 147 N -3.46 3.77 0.26 2.91 0.04 -1.26 0.02 135.00 137.28 3ek1 s PRO 147 Ca 0.10 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 3ek1 s PRO 147 Cb 0.02 -2.59 0.29 0.00 0.04 0.00 0.00 34.50 32.27 3ek1 s PRO 147 CO -0.02 -0.64 1.92 0.28 0.04 0.00 0.00 177.00 178.58 3ek1 h VAL 148 N 2.15 1.25 0.00 -0.36 2.07 -1.55 -3.42 116.25 116.38 3ek1 h VAL 148 Ca -0.50 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3ek1 h VAL 148 Cb 1.26 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ek1 h VAL 148 CO 0.61 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.06 3ek1 n GLY 149 N -1.31 0.30 3.72 2.17 0.00 -1.26 -4.88 105.19 103.93 3ek1 n GLY 149 Ca 0.11 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3ek1 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 150 N -0.64 3.94 0.11 1.61 1.01 -1.26 -2.54 120.40 122.64 3ek1 s VAL 150 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3ek1 s VAL 150 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3ek1 s VAL 150 CO 0.00 0.17 -0.08 0.42 0.00 0.00 0.00 175.10 175.61 3ek1 s THR 151 N 0.55 0.86 0.00 3.92 -4.23 -0.83 -0.46 115.64 115.46 3ek1 s THR 151 Ca 0.55 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 3ek1 s THR 151 Cb -0.30 -1.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 3ek1 s THR 151 CO 0.32 -0.76 -0.10 0.00 -0.54 0.00 0.00 174.62 173.54 3ek1 s ALA 152 N -3.23 0.82 -0.01 3.99 0.00 -0.42 -1.32 121.76 121.59 3ek1 s ALA 152 Ca 0.11 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.63 3ek1 s ALA 152 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3ek1 s ALA 152 CO -0.02 0.18 -0.15 0.00 0.00 0.00 0.00 175.76 175.77 3ek1 s ALA 153 N -0.39 1.23 -0.11 0.00 0.00 0.12 -0.93 121.76 121.69 3ek1 s ALA 153 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3ek1 s ALA 153 Cb -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ek1 s ALA 153 CO -0.00 0.30 -0.11 0.42 0.00 0.00 0.00 175.76 176.37 3ek1 s ILE 154 N -0.37 1.20 0.07 0.00 1.01 -0.37 -1.01 121.20 121.74 3ek1 s ILE 154 Ca 0.06 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.34 3ek1 s ILE 154 Cb -0.06 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3ek1 s ILE 154 CO -0.00 0.39 -0.18 0.42 0.00 0.00 0.00 174.94 175.56 3ek1 s THR 155 N 1.31 1.47 0.83 2.92 -4.23 -0.93 -2.05 115.64 114.96 3ek1 s THR 155 Ca -0.02 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 3ek1 s THR 155 Cb -0.14 -1.33 0.17 0.00 1.34 0.00 0.00 72.50 72.54 3ek1 s THR 155 CO -0.05 -0.03 1.13 -2.16 -0.54 0.00 0.00 174.62 172.98 3ek1 s PRO 156 N -1.59 1.16 0.14 3.99 0.04 -1.21 -1.70 135.00 135.83 3ek1 s PRO 156 Ca 0.04 -0.97 0.24 0.00 0.04 0.00 0.00 61.00 60.35 3ek1 s PRO 156 Cb -0.09 -2.15 0.29 0.00 0.04 0.00 0.00 34.50 32.58 3ek1 s PRO 156 CO 0.03 -1.89 1.29 0.11 0.04 0.00 0.00 177.00 176.57 3ek1 h TRP 157 N -0.99 0.00 0.00 0.56 5.08 -1.93 -3.38 115.95 115.29 3ek1 h TRP 157 Ca -0.38 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.49 3ek1 h TRP 157 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3ek1 h TRP 157 CO -0.66 0.00 -0.49 -2.95 -1.28 0.00 0.00 178.44 173.06 3ek1 h ASN 158 N 0.00 0.00 -2.12 0.11 -1.07 -1.96 -3.32 115.58 107.22 3ek1 h ASN 158 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 3ek1 h ASN 158 Cb 0.79 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.65 3ek1 h ASN 158 CO 0.00 0.49 -0.95 0.49 0.07 0.00 0.00 177.43 177.53 3ek1 n PHE 159 N -3.32 0.72 0.19 4.14 3.72 -1.26 -4.98 117.46 116.67 3ek1 n PHE 159 Ca 0.01 -3.71 0.13 0.00 -0.05 0.00 0.00 57.45 53.82 3ek1 n PHE 159 Cb 0.67 -0.36 0.68 0.00 -0.94 0.00 0.00 39.48 39.54 3ek1 n PHE 159 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ek1 h PRO 160 N 4.24 0.00 0.00 -1.08 0.11 -1.74 -1.84 132.00 131.69 3ek1 h PRO 160 Ca 0.12 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.89 3ek1 h PRO 160 Cb 0.82 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.88 3ek1 h PRO 160 CO 0.56 0.00 -2.13 0.00 -0.21 0.00 0.00 178.00 176.22 3ek1 n ALA 161 N -1.82 1.48 -0.08 -0.75 0.00 -1.26 -4.13 120.51 113.95 3ek1 n ALA 161 Ca -0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 3ek1 n ALA 161 Cb 0.05 0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.71 3ek1 n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek1 h ALA 162 N -0.83 0.69 0.00 0.00 0.00 -1.78 -1.71 119.26 115.63 3ek1 h ALA 162 Ca -0.52 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 3ek1 h ALA 162 Cb 1.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ek1 h ALA 162 CO -0.32 0.67 -0.17 0.52 0.00 0.00 0.00 179.25 179.96 3ek1 h MET 163 N 0.65 0.00 0.15 0.00 2.86 -1.64 -1.89 114.93 115.07 3ek1 h MET 163 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3ek1 h MET 163 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3ek1 h MET 163 CO 0.09 0.17 -0.07 0.82 1.06 0.00 0.00 176.91 178.97 3ek1 h ILE 164 N 0.00 0.99 -0.13 -1.22 2.04 -1.56 -3.30 117.51 114.33 3ek1 h ILE 164 Ca -0.00 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 3ek1 h ILE 164 Cb 0.30 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ek1 h ILE 164 CO 0.02 0.18 -0.34 0.71 0.00 0.00 0.00 178.15 178.72 3ek1 h THR 165 N -0.60 1.28 -0.12 -0.27 1.35 -1.32 0.64 112.91 113.87 3ek1 h THR 165 Ca -0.02 -1.36 0.03 0.00 -0.55 0.00 0.00 66.41 64.52 3ek1 h THR 165 Cb 0.45 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3ek1 h THR 165 CO 0.03 0.41 0.16 0.03 -0.25 0.00 0.00 175.52 175.91 3ek1 h ARG 166 N 0.23 0.00 0.00 4.72 3.08 -1.45 -1.04 114.38 119.92 3ek1 h ARG 166 Ca 0.03 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.67 3ek1 h ARG 166 Cb 0.72 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 3ek1 h ARG 166 CO 0.05 0.00 -2.43 1.63 -1.07 0.00 0.00 179.97 178.16 3ek1 n LYS 167 N -3.64 0.57 0.02 0.04 5.02 -0.84 -4.52 118.16 114.81 3ek1 n LYS 167 Ca 0.00 0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 56.41 3ek1 n LYS 167 Cb 0.27 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.90 3ek1 n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ek1 h ALA 168 N -0.58 0.72 0.82 7.82 0.00 -0.87 -2.76 119.26 124.41 3ek1 h ALA 168 Ca -0.62 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 3ek1 h ALA 168 Cb 1.68 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.39 3ek1 h ALA 168 CO -0.28 0.69 -0.41 0.00 0.00 0.00 0.00 179.25 179.24 3ek1 h ALA 169 N 1.00 -1.14 -0.47 0.00 0.00 -1.40 0.07 119.26 117.32 3ek1 h ALA 169 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3ek1 h ALA 169 Cb 1.09 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3ek1 h ALA 169 CO 0.10 -1.14 -0.06 -1.00 0.00 0.00 0.00 179.25 177.15 3ek1 h PRO 170 N -1.13 0.83 0.44 0.00 0.13 -1.77 -0.29 132.00 130.21 3ek1 h PRO 170 Ca -0.11 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3ek1 h PRO 170 Cb 0.87 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3ek1 h PRO 170 CO 0.17 0.87 -0.34 0.00 -0.23 0.00 0.00 178.00 178.47 3ek1 h ALA 171 N 1.17 -0.79 -0.65 -0.56 0.00 -1.45 0.52 119.26 117.49 3ek1 h ALA 171 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 171 Cb 0.55 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3ek1 h ALA 171 CO 0.03 -0.97 0.10 -0.07 0.00 0.00 0.00 179.25 178.34 3ek1 h LEU 172 N -0.77 1.03 -0.62 0.00 4.07 -0.88 -1.25 115.31 116.88 3ek1 h LEU 172 Ca -0.04 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.73 3ek1 h LEU 172 Cb 0.66 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.08 3ek1 h LEU 172 CO -0.00 1.02 0.34 0.00 -1.08 0.00 0.00 178.44 178.72 3ek1 h ALA 173 N 1.09 0.82 0.00 1.53 0.00 -0.83 -1.07 119.26 120.81 3ek1 h ALA 173 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 173 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 173 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3ek1 n ALA 174 N -2.35 1.53 -0.19 0.00 0.00 0.15 -4.71 120.51 114.95 3ek1 n ALA 174 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ek1 n ALA 174 Cb 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3ek1 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 175 N -0.29 0.89 3.94 0.00 0.00 -0.40 -4.01 105.19 105.32 3ek1 n GLY 175 Ca 0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3ek1 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s THR 177 N -2.83 4.16 -0.09 0.00 -4.23 -1.05 -4.04 115.64 107.56 3ek1 s THR 177 Ca 0.54 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 3ek1 s THR 177 Cb -0.10 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.39 3ek1 s THR 177 CO 0.41 -0.26 0.22 -0.32 -0.54 0.00 0.00 174.62 174.14 3ek1 s MET 178 N -3.95 0.25 -0.16 3.99 0.00 0.60 -1.96 119.30 118.07 3ek1 s MET 178 Ca 0.37 0.34 -0.02 0.00 0.00 0.00 0.00 55.69 56.38 3ek1 s MET 178 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 34.83 34.82 3ek1 s MET 178 CO 0.27 -0.05 -0.08 0.42 0.00 0.00 0.00 175.02 175.58 3ek1 s ILE 179 N 0.31 3.42 -0.12 10.11 1.01 -0.43 -1.55 121.20 133.94 3ek1 s ILE 179 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3ek1 s ILE 179 Cb -0.03 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3ek1 s ILE 179 CO -0.01 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.59 3ek1 s VAL 180 N 0.61 2.97 -0.33 2.92 1.01 0.54 -0.70 120.40 127.42 3ek1 s VAL 180 Ca -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3ek1 s VAL 180 Cb -0.15 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.05 3ek1 s VAL 180 CO 0.03 0.53 0.06 -0.60 0.00 0.00 0.00 175.10 175.12 3ek1 s ARG 181 N 0.28 2.42 0.64 2.72 3.52 -0.18 -0.46 118.95 127.88 3ek1 s ARG 181 Ca -0.10 -1.33 -0.12 0.00 -0.13 0.00 0.00 55.73 54.05 3ek1 s ARG 181 Cb -0.16 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3ek1 s ARG 181 CO 0.06 -0.70 1.04 -1.25 -0.81 0.00 0.00 175.30 173.63 3ek1 s PRO 182 N 1.28 3.32 0.54 5.12 0.04 -1.25 -2.18 135.00 141.86 3ek1 s PRO 182 Ca -0.02 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 3ek1 s PRO 182 Cb -0.20 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3ek1 s PRO 182 CO -0.00 -0.80 1.34 0.00 0.04 0.00 0.00 177.00 177.58 3ek1 s ALA 183 N -2.97 2.84 0.37 8.56 0.00 -0.69 -4.86 121.76 125.01 3ek1 s ALA 183 Ca 0.58 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.92 3ek1 s ALA 183 Cb -0.13 -3.55 0.78 0.00 0.00 0.00 0.00 23.12 20.22 3ek1 s ALA 183 CO 0.50 -1.31 1.95 -0.44 0.00 0.00 0.00 175.76 176.45 3ek1 h ASP 184 N 1.53 0.63 1.04 0.00 3.32 -1.90 -2.36 116.42 118.68 3ek1 h ASP 184 Ca -0.51 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3ek1 h ASP 184 Cb 1.29 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3ek1 h ASP 184 CO 0.58 0.39 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.27 3ek1 h LEU 185 N 0.71 0.00 -5.99 1.55 3.38 -1.93 -3.38 115.31 109.65 3ek1 h LEU 185 Ca 0.33 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.82 3ek1 h LEU 185 Cb 0.36 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.71 3ek1 h LEU 185 CO -0.12 0.15 -1.19 0.35 0.09 0.00 0.00 178.44 177.73 3ek1 n THR 186 N -3.28 -0.19 0.24 0.22 -2.24 -0.90 -4.72 114.28 103.41 3ek1 n THR 186 Ca 0.01 -4.54 0.12 0.00 -2.27 0.00 0.00 64.05 57.36 3ek1 n THR 186 Cb 0.41 -0.32 0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3ek1 n THR 186 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ek1 n PRO 187 N 0.33 0.51 -0.13 -0.78 -0.04 -1.17 -4.22 135.00 129.50 3ek1 n PRO 187 Ca 0.25 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.71 3ek1 n PRO 187 Cb 0.65 -1.76 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3ek1 n PRO 187 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ek1 h LEU 188 N 0.00 0.87 -0.72 1.53 3.38 -1.91 -2.22 115.31 116.23 3ek1 h LEU 188 Ca 0.00 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3ek1 h LEU 188 Cb 0.92 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3ek1 h LEU 188 CO 0.00 1.00 0.45 0.74 0.09 0.00 0.00 178.44 180.72 3ek1 h THR 189 N 0.77 1.08 -0.77 0.22 2.02 -1.87 -1.24 112.91 113.13 3ek1 h THR 189 Ca 0.12 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3ek1 h THR 189 Cb 0.65 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3ek1 h THR 189 CO 0.05 0.16 0.38 0.00 0.37 0.00 0.00 175.52 176.47 3ek1 h ALA 190 N 1.32 0.99 -0.52 6.16 0.00 -1.59 -1.93 119.26 123.68 3ek1 h ALA 190 Ca 0.29 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 190 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3ek1 h ALA 190 CO -0.12 0.55 -0.03 -0.07 0.00 0.00 0.00 179.25 179.58 3ek1 h LEU 191 N 1.08 0.89 -0.43 0.00 3.38 -0.81 -1.40 115.31 118.03 3ek1 h LEU 191 Ca 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ek1 h LEU 191 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ek1 h LEU 191 CO -0.03 0.96 0.17 0.00 0.09 0.00 0.00 178.44 179.63 3ek1 h ALA 192 N 1.13 0.56 -0.32 1.53 0.00 -0.90 -0.95 119.26 120.30 3ek1 h ALA 192 Ca 0.15 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 192 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ek1 h ALA 192 CO 0.03 0.17 0.21 -0.07 0.00 0.00 0.00 179.25 179.59 3ek1 h LEU 193 N 0.55 0.24 -0.60 0.00 3.38 -1.06 -2.39 115.31 115.42 3ek1 h LEU 193 Ca 0.14 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3ek1 h LEU 193 Cb 0.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3ek1 h LEU 193 CO -0.01 0.16 -0.26 1.23 0.09 0.00 0.00 178.44 179.65 3ek1 h GLY 194 N 0.27 0.91 0.58 0.83 0.00 -0.09 -0.84 103.07 104.73 3ek1 h GLY 194 Ca 0.13 -0.81 0.07 0.00 0.00 0.00 0.00 47.33 46.72 3ek1 h GLY 194 CO -0.03 0.74 0.24 -2.08 0.00 0.00 0.00 176.54 175.41 3ek1 h VAL 195 N 0.72 0.87 -0.01 4.60 2.07 -0.79 -1.19 116.25 122.52 3ek1 h VAL 195 Ca 0.09 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 3ek1 h VAL 195 Cb 0.80 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ek1 h VAL 195 CO 0.07 0.08 -0.78 -0.07 0.02 0.00 0.00 177.57 176.89 3ek1 h LEU 196 N 0.46 0.12 -0.11 2.57 3.38 -1.23 -1.86 115.31 118.64 3ek1 h LEU 196 Ca 0.26 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3ek1 h LEU 196 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ek1 h LEU 196 CO -0.22 0.85 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 3ek1 h ALA 197 N 1.15 0.05 -0.34 1.53 0.00 -0.80 0.14 119.26 120.98 3ek1 h ALA 197 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 197 Cb 1.37 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3ek1 h ALA 197 CO 0.11 -0.51 0.22 1.49 0.00 0.00 0.00 179.25 180.56 3ek1 h GLU 198 N -0.04 0.46 -0.13 0.00 4.81 -1.12 -2.32 114.58 116.25 3ek1 h GLU 198 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3ek1 h GLU 198 Cb 0.12 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3ek1 h GLU 198 CO -0.13 0.32 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.24 3ek1 h LYS 199 N 0.46 0.18 0.00 1.92 3.64 -1.08 -1.14 116.57 120.54 3ek1 h LYS 199 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ek1 h LYS 199 Cb -0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3ek1 h LYS 199 CO -0.03 0.21 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 3ek1 h ALA 200 N 1.82 1.00 0.00 5.00 0.00 -0.19 -3.46 119.26 123.42 3ek1 h ALA 200 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 200 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ek1 n GLY 201 N -0.17 0.89 3.64 0.00 0.00 -0.43 -4.73 105.19 104.39 3ek1 n GLY 201 Ca 0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 4.12 0.81 -0.61 1.01 -0.95 -4.94 121.20 118.64 3ek1 s ILE 202 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.83 3ek1 s ILE 202 Cb 0.00 -4.08 0.08 0.00 0.01 0.00 0.00 42.46 38.47 3ek1 s ILE 202 CO 0.00 -0.39 1.09 -2.84 0.00 0.00 0.00 174.94 172.80 3ek1 s PRO 203 N 4.08 1.97 -0.29 2.79 0.02 -1.26 -4.56 135.00 137.75 3ek1 s PRO 203 Ca 0.57 1.01 -0.43 0.00 0.02 0.00 0.00 61.00 62.18 3ek1 s PRO 203 Cb -0.18 -1.88 -0.18 0.00 0.02 0.00 0.00 34.50 32.28 3ek1 s PRO 203 CO 0.22 -1.80 1.54 0.00 -0.33 0.00 0.00 177.00 176.63 3ek1 n ALA 204 N -3.61 -1.29 0.00 -1.55 0.00 -1.26 -1.40 120.51 111.40 3ek1 n ALA 204 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ek1 n ALA 204 Cb 0.54 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3ek1 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 205 N 3.54 2.23 0.18 0.00 0.00 -1.26 -4.72 105.19 105.15 3ek1 n GLY 205 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 3ek1 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek1 h VAL 206 N 0.00 1.34 -3.73 1.61 2.07 -1.56 -3.38 116.25 112.61 3ek1 h VAL 206 Ca 0.00 -1.66 -0.61 0.00 0.82 0.00 0.00 66.70 65.25 3ek1 h VAL 206 Cb 0.00 1.98 -0.32 0.00 -1.52 0.00 0.00 31.29 31.43 3ek1 h VAL 206 CO 0.00 0.51 -0.85 -0.22 0.02 0.00 0.00 177.57 177.02 3ek1 s LEU 207 N -8.76 1.95 0.00 2.57 2.96 -1.26 -0.29 118.68 115.85 3ek1 s LEU 207 Ca -0.13 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3ek1 s LEU 207 Cb 0.06 -1.14 -0.00 0.00 0.50 0.00 0.00 46.19 45.62 3ek1 s LEU 207 CO 0.82 0.16 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.89 3ek1 s GLN 208 N 0.15 0.11 -0.20 1.98 -0.21 -0.60 -4.78 119.66 116.11 3ek1 s GLN 208 Ca -0.09 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.23 3ek1 s GLN 208 Cb -0.14 -0.09 0.04 0.00 1.00 0.00 0.00 33.01 33.82 3ek1 s GLN 208 CO 0.04 0.02 -0.14 0.42 -2.12 0.00 0.00 175.29 173.52 3ek1 s ILE 209 N -0.12 1.86 -0.04 1.08 1.01 -0.55 -0.34 121.20 124.11 3ek1 s ILE 209 Ca -0.01 -1.07 0.06 0.00 0.00 0.00 0.00 60.65 59.64 3ek1 s ILE 209 Cb -0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3ek1 s ILE 209 CO -0.00 0.28 -0.23 0.68 0.00 0.00 0.00 174.94 175.67 3ek1 s VAL 210 N 1.32 1.84 0.05 2.92 -7.23 0.39 -1.66 120.40 118.02 3ek1 s VAL 210 Ca -0.00 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3ek1 s VAL 210 Cb -0.16 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3ek1 s VAL 210 CO -0.09 0.52 -0.23 0.42 -0.31 0.00 0.00 175.10 175.40 3ek1 s THR 211 N -0.24 1.86 -5.00 5.32 -4.23 -1.26 -3.86 115.64 108.23 3ek1 s THR 211 Ca 0.00 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3ek1 s THR 211 Cb -0.12 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.12 3ek1 s THR 211 CO 0.02 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 3ek1 n GLY 212 N 1.81 -0.74 3.73 3.99 0.00 -1.25 -0.87 105.19 111.86 3ek1 n GLY 212 Ca -0.17 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 213 N -2.00 4.33 0.11 1.61 1.02 -1.26 -4.88 119.74 118.67 3ek1 s LYS 213 Ca 0.00 2.13 -0.22 0.00 0.02 0.00 0.00 55.97 57.90 3ek1 s LYS 213 Cb 0.00 -3.19 -0.08 0.00 -0.52 0.00 0.00 37.83 34.03 3ek1 s LYS 213 CO 0.00 -0.38 1.72 0.00 -0.92 0.00 0.00 175.35 175.77 3ek1 h ALA 214 N 5.94 0.05 0.12 5.17 0.00 -1.99 -2.08 119.26 126.47 3ek1 h ALA 214 Ca -0.44 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3ek1 h ALA 214 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ek1 h ALA 214 CO 0.82 -0.50 -0.06 -0.09 0.00 0.00 0.00 179.25 179.42 3ek1 h ARG 215 N -0.03 -0.16 -0.34 0.00 2.43 -1.98 0.20 114.38 114.52 3ek1 h ARG 215 Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3ek1 h ARG 215 Cb 0.10 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3ek1 h ARG 215 CO -0.11 0.05 0.13 0.93 -1.51 0.00 0.00 179.97 179.46 3ek1 h GLU 216 N -0.35 0.50 -0.47 0.20 3.07 -1.96 0.07 114.58 115.64 3ek1 h GLU 216 Ca -0.02 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3ek1 h GLU 216 Cb 0.29 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3ek1 h GLU 216 CO 0.03 0.50 -0.06 0.82 -1.40 0.00 0.00 179.01 178.90 3ek1 h ILE 217 N 0.39 1.27 -0.75 3.13 2.04 -1.29 -2.56 117.51 119.74 3ek1 h ILE 217 Ca 0.11 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3ek1 h ILE 217 Cb 0.19 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3ek1 h ILE 217 CO -0.01 0.40 0.37 1.23 0.00 0.00 0.00 178.15 180.14 3ek1 h GLY 218 N 0.71 1.14 1.34 5.37 0.00 -0.47 -1.34 103.07 109.81 3ek1 h GLY 218 Ca 0.12 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 3ek1 h GLY 218 CO 0.04 0.52 -0.49 0.00 0.00 0.00 0.00 176.54 176.60 3ek1 h ALA 219 N 1.35 0.65 -0.23 3.60 0.00 -0.82 -2.30 119.26 121.51 3ek1 h ALA 219 Ca 0.26 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ek1 h ALA 219 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ek1 h ALA 219 CO -0.04 0.68 -0.08 1.49 0.00 0.00 0.00 179.25 181.30 3ek1 h GLU 220 N 0.56 0.46 -0.46 0.00 4.57 -1.12 -1.66 114.58 116.93 3ek1 h GLU 220 Ca 0.03 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 3ek1 h GLU 220 Cb 1.05 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3ek1 h GLU 220 CO 0.10 0.71 0.30 -0.07 -1.18 0.00 0.00 179.01 178.88 3ek1 h LEU 221 N 0.19 0.51 0.00 1.64 3.38 -1.22 0.46 115.31 120.28 3ek1 h LEU 221 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ek1 h LEU 221 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ek1 h LEU 221 CO 0.03 0.37 -0.95 0.35 0.09 0.00 0.00 178.44 178.33 3ek1 n THR 222 N -4.47 0.56 0.00 0.22 -2.24 -0.87 -4.14 114.28 103.34 3ek1 n THR 222 Ca 0.04 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.39 3ek1 n THR 222 Cb 0.07 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 3ek1 n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ek1 n SER 223 N -2.55 0.27 -4.68 3.42 3.41 -0.63 -4.39 113.62 108.46 3ek1 n SER 223 Ca 0.01 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 3ek1 n SER 223 Cb 0.53 1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 65.76 3ek1 n SER 223 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ek1 s ASN 224 N -5.00 6.87 0.58 4.04 3.84 0.13 -4.91 114.94 120.49 3ek1 s ASN 224 Ca -0.06 2.03 0.28 0.00 0.21 0.00 0.00 52.86 55.32 3ek1 s ASN 224 Cb 0.11 -2.55 1.76 0.00 -0.55 0.00 0.00 41.25 40.02 3ek1 s ASN 224 CO 0.86 -0.73 2.24 0.44 -2.79 0.00 0.00 177.10 177.12 3ek1 h ASP 225 N 8.03 0.00 0.13 -4.21 3.32 -1.92 -2.69 116.42 119.08 3ek1 h ASP 225 Ca -0.36 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 3ek1 h ASP 225 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3ek1 h ASP 225 CO 0.92 0.00 -0.33 0.74 -1.72 0.00 0.00 179.24 178.85 3ek1 h THR 226 N 0.00 1.28 -3.13 0.35 2.02 -1.96 -3.42 112.91 108.05 3ek1 h THR 226 Ca 0.00 -1.35 -0.56 0.00 0.77 0.00 0.00 66.41 65.28 3ek1 h THR 226 Cb 0.02 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3ek1 h THR 226 CO -0.00 0.41 0.69 -0.69 0.37 0.00 0.00 175.52 176.30 3ek1 s VAL 227 N -4.32 4.57 -1.31 3.16 1.01 -1.02 -4.34 120.40 118.15 3ek1 s VAL 227 Ca -0.05 1.87 0.13 0.00 0.00 0.00 0.00 61.98 63.93 3ek1 s VAL 227 Cb 0.14 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3ek1 s VAL 227 CO 0.77 -0.06 0.79 0.54 0.00 0.00 0.00 175.10 177.14 3ek1 n ARG 228 N 5.54 1.71 -3.64 2.72 1.74 0.40 -4.93 116.66 120.19 3ek1 n ARG 228 Ca 0.11 -0.82 -0.07 0.00 -0.77 0.00 0.00 57.85 56.30 3ek1 n ARG 228 Cb 0.47 -1.20 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -1.57 0.66 -0.06 5.56 2.47 -1.24 -1.90 119.74 123.66 3ek1 s LYS 229 Ca 0.12 1.09 0.06 0.00 -1.56 0.00 0.00 55.97 55.68 3ek1 s LYS 229 Cb 0.11 0.16 -0.01 0.00 -1.46 0.00 0.00 37.83 36.63 3ek1 s LYS 229 CO 0.31 -0.13 -0.24 -1.17 0.16 0.00 0.00 175.35 174.27 3ek1 s LEU 230 N 1.41 2.11 -0.10 5.43 2.96 -0.47 -1.30 118.68 128.72 3ek1 s LEU 230 Ca -0.08 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3ek1 s LEU 230 Cb -0.05 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.26 3ek1 s LEU 230 CO -0.16 0.24 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.37 3ek1 s SER 231 N -0.14 2.62 0.01 3.68 0.15 -0.10 -1.26 113.70 118.65 3ek1 s SER 231 Ca -0.04 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.16 3ek1 s SER 231 Cb -0.14 -1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 3ek1 s SER 231 CO 0.04 0.09 -0.08 0.12 1.20 0.00 0.00 173.24 174.61 3ek1 s PHE 232 N 0.62 0.72 -0.05 3.44 5.36 -0.28 -1.23 117.98 126.56 3ek1 s PHE 232 Ca -0.14 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 3ek1 s PHE 232 Cb -0.16 -0.45 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 3ek1 s PHE 232 CO 0.04 -0.02 -0.08 0.99 -1.46 0.00 0.00 175.22 174.69 3ek1 s THR 233 N -0.40 0.81 -4.79 0.12 2.01 -0.87 -0.95 115.64 111.57 3ek1 s THR 233 Ca 0.01 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3ek1 s THR 233 Cb -0.04 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.69 3ek1 s THR 233 CO -0.00 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 3ek1 n GLY 234 N 3.93 -0.50 3.81 4.40 0.00 -0.79 -3.32 105.19 112.71 3ek1 n GLY 234 Ca -0.24 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3ek1 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 235 N -4.00 5.99 0.22 1.61 1.04 -1.26 -3.81 113.70 113.48 3ek1 s SER 235 Ca 0.00 1.76 -0.08 0.00 0.48 0.00 0.00 55.95 58.11 3ek1 s SER 235 Cb 0.00 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.77 3ek1 s SER 235 CO 0.00 -1.02 1.83 0.74 0.98 0.00 0.00 173.24 175.77 3ek1 h THR 236 N 0.56 1.25 -0.35 2.02 2.02 -1.91 -0.56 112.91 115.94 3ek1 h THR 236 Ca -0.47 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.14 3ek1 h THR 236 Cb 1.21 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 3ek1 h THR 236 CO 0.58 0.28 0.04 -0.33 0.37 0.00 0.00 175.52 176.47 3ek1 h GLU 237 N 1.16 0.14 -0.23 6.66 3.07 -1.98 0.77 114.58 124.18 3ek1 h GLU 237 Ca 0.29 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.97 3ek1 h GLU 237 Cb 0.05 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3ek1 h GLU 237 CO -0.04 0.10 -0.57 0.28 -1.40 0.00 0.00 179.01 177.37 3ek1 h VAL 238 N 0.15 1.30 -0.47 3.13 2.07 -1.88 -2.82 116.25 117.72 3ek1 h VAL 238 Ca 0.17 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 65.97 3ek1 h VAL 238 Cb 0.21 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3ek1 h VAL 238 CO -0.25 0.57 0.16 1.23 0.02 0.00 0.00 177.57 179.30 3ek1 h GLY 239 N 0.86 0.61 0.61 2.17 0.00 -0.40 -0.08 103.07 106.85 3ek1 h GLY 239 Ca 0.01 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.33 3ek1 h GLY 239 CO 0.12 0.01 0.48 3.21 0.00 0.00 0.00 176.54 180.36 3ek1 h ARG 240 N 0.32 0.82 -0.43 4.80 3.08 -0.77 -1.40 114.38 120.81 3ek1 h ARG 240 Ca 0.22 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 3ek1 h ARG 240 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ek1 h ARG 240 CO -0.24 0.54 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.94 3ek1 h LEU 241 N 0.84 0.92 -0.51 3.04 3.38 -1.01 -2.59 115.31 119.38 3ek1 h LEU 241 Ca 0.38 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ek1 h LEU 241 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3ek1 h LEU 241 CO -0.21 1.12 -0.08 -0.07 0.09 0.00 0.00 178.44 179.28 3ek1 h LEU 242 N 0.73 0.96 -0.70 1.67 3.38 -0.65 -0.13 115.31 120.57 3ek1 h LEU 242 Ca 0.10 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ek1 h LEU 242 Cb 0.77 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ek1 h LEU 242 CO 0.06 1.08 0.45 -0.03 0.09 0.00 0.00 178.44 180.10 3ek1 h MET 243 N 0.83 0.92 -0.84 1.13 4.05 -1.24 -0.43 114.93 119.35 3ek1 h MET 243 Ca 0.14 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3ek1 h MET 243 Cb 0.64 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 3ek1 h MET 243 CO 0.04 0.62 0.47 0.00 0.23 0.00 0.00 176.91 178.28 3ek1 h ALA 244 N 1.25 1.07 0.00 0.39 0.00 -1.00 -2.57 119.26 118.40 3ek1 h ALA 244 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 244 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3ek1 h ALA 244 CO -0.05 0.57 -0.27 1.96 0.00 0.00 0.00 179.25 181.46 3ek1 h GLN 245 N 1.16 0.00 0.00 0.00 4.20 -0.21 -2.06 115.11 118.20 3ek1 h GLN 245 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3ek1 h GLN 245 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ek1 h GLN 245 CO -0.05 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.38 3ek1 h ALA 247 N 2.00 1.27 0.00 0.00 0.00 -0.98 -1.23 119.26 120.31 3ek1 h ALA 247 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ek1 h ALA 247 Cb 0.81 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ek1 h ALA 247 CO 0.00 0.62 -0.03 -1.35 0.00 0.00 0.00 179.25 178.48 3ek1 h PRO 248 N 1.18 0.00 -0.10 0.00 0.11 -1.77 -1.72 132.00 129.70 3ek1 h PRO 248 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3ek1 h PRO 248 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3ek1 h PRO 248 CO -0.05 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.02 3ek1 n THR 249 N -3.78 1.44 -3.68 -1.15 -2.24 -1.05 -5.01 114.28 98.80 3ek1 n THR 249 Ca -0.03 -1.49 -0.22 0.00 -2.27 0.00 0.00 64.05 60.04 3ek1 n THR 249 Cb 0.12 0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3ek1 n THR 249 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ek1 n ILE 250 N -0.59 -4.25 -2.40 2.28 2.08 -0.50 -4.88 119.36 111.10 3ek1 n ILE 250 Ca 0.10 -0.39 -0.36 0.00 0.56 0.00 0.00 62.75 62.66 3ek1 n ILE 250 Cb 0.48 -3.85 -0.02 0.00 -0.75 0.00 0.00 39.64 35.50 3ek1 n ILE 250 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3ek1 s LYS 251 N -6.00 3.86 0.35 0.38 1.02 -1.02 -4.98 119.74 113.36 3ek1 s LYS 251 Ca 0.15 1.60 -0.28 0.00 0.02 0.00 0.00 55.97 57.46 3ek1 s LYS 251 Cb -0.07 -2.36 -0.11 0.00 -0.52 0.00 0.00 37.83 34.77 3ek1 s LYS 251 CO 0.80 -0.42 1.38 1.03 -0.92 0.00 0.00 175.35 177.22 3ek1 s ARG 252 N -2.77 4.25 -0.00 1.68 1.81 -0.80 -4.92 118.95 118.20 3ek1 s ARG 252 Ca 0.63 2.37 0.01 0.00 -1.72 0.00 0.00 55.73 57.02 3ek1 s ARG 252 Cb -0.24 -3.03 -0.00 0.00 -0.45 0.00 0.00 34.95 31.23 3ek1 s ARG 252 CO 0.29 -0.34 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.03 3ek1 s ILE 253 N -1.12 0.31 -0.00 1.52 2.07 -1.26 -1.37 121.20 121.35 3ek1 s ILE 253 Ca 0.51 -0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.62 3ek1 s ILE 253 Cb -0.43 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 3ek1 s ILE 253 CO 0.57 0.07 -0.18 -0.44 -1.91 0.00 0.00 174.94 173.05 3ek1 s SER 254 N -0.13 2.13 -0.05 4.50 0.01 -0.39 -4.77 113.70 115.00 3ek1 s SER 254 Ca 0.01 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 3ek1 s SER 254 Cb -0.02 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.01 3ek1 s SER 254 CO -0.00 0.20 0.11 -0.76 0.41 0.00 0.00 173.24 173.20 3ek1 s LEU 255 N -0.56 1.20 -0.19 2.44 1.43 -0.49 -1.12 118.68 121.39 3ek1 s LEU 255 Ca 0.07 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3ek1 s LEU 255 Cb -0.07 0.31 0.05 0.00 0.03 0.00 0.00 46.19 46.51 3ek1 s LEU 255 CO -0.00 -0.09 -0.04 -0.70 0.23 0.00 0.00 176.35 175.75 3ek1 s GLU 256 N 0.60 1.36 0.00 1.70 2.12 -0.13 -1.06 118.70 123.30 3ek1 s GLU 256 Ca -0.05 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3ek1 s GLU 256 Cb -0.06 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3ek1 s GLU 256 CO -0.03 -0.51 0.00 1.28 -0.54 0.00 0.00 175.26 175.46 3ek1 n LEU 257 N 4.85 0.00 -4.74 2.70 4.77 0.17 -1.89 117.00 122.85 3ek1 n LEU 257 Ca -0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 3ek1 n LEU 257 Cb 0.47 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 3ek1 n LEU 257 CO 0.16 0.00 0.70 -0.83 -1.33 0.00 0.00 177.39 176.10 3ek1 s GLY 258 N 0.00 1.75 0.15 -0.72 0.00 -1.25 -4.83 107.32 102.42 3ek1 s GLY 258 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.13 3ek1 s GLY 258 CO 0.00 0.76 0.06 0.61 0.00 0.00 0.00 173.10 174.53 3ek1 n GLY 259 N -0.74 3.77 2.74 0.20 0.00 -1.26 -4.29 105.19 105.61 3ek1 n GLY 259 Ca 0.10 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 3ek1 n GLY 259 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ek1 n ASN 260 N -1.92 -2.60 -4.68 1.61 2.85 -1.26 -4.64 115.26 104.63 3ek1 n ASN 260 Ca -0.02 -3.19 -0.42 0.00 -0.11 0.00 0.00 54.58 50.84 3ek1 n ASN 260 Cb 0.23 1.73 -0.03 0.00 1.24 0.00 0.00 39.78 42.95 3ek1 n ASN 260 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ek1 s ALA 261 N 0.54 3.65 0.29 5.20 0.00 -1.26 -4.81 121.76 125.38 3ek1 s ALA 261 Ca 0.29 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3ek1 s ALA 261 Cb 0.24 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 3ek1 s ALA 261 CO -0.19 -1.22 0.64 -1.25 0.00 0.00 0.00 175.76 173.73 3ek1 s PRO 262 N 3.19 3.83 -0.21 0.00 0.04 -1.26 -0.49 135.00 140.10 3ek1 s PRO 262 Ca 0.75 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 3ek1 s PRO 262 Cb -0.38 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.68 3ek1 s PRO 262 CO 0.32 0.20 0.03 0.12 0.04 0.00 0.00 177.00 177.71 3ek1 s PHE 263 N -2.00 1.26 -0.21 0.56 5.36 -0.04 -0.97 117.98 121.95 3ek1 s PHE 263 Ca 0.49 -1.06 -0.04 0.00 -0.96 0.00 0.00 56.93 55.37 3ek1 s PHE 263 Cb -0.11 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.40 3ek1 s PHE 263 CO 0.23 -0.66 -0.04 0.42 -1.46 0.00 0.00 175.22 173.71 3ek1 s ILE 264 N 1.78 3.48 -0.27 3.12 1.01 0.57 0.24 121.20 131.12 3ek1 s ILE 264 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3ek1 s ILE 264 Cb -0.17 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.75 3ek1 s ILE 264 CO -0.10 0.43 0.01 -0.69 0.00 0.00 0.00 174.94 174.60 3ek1 s VAL 265 N 1.25 3.43 0.47 2.92 1.01 0.34 -0.23 120.40 129.60 3ek1 s VAL 265 Ca 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3ek1 s VAL 265 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ek1 s VAL 265 CO -0.01 0.13 0.75 -0.36 0.00 0.00 0.00 175.10 175.61 3ek1 s PHE 266 N 1.41 3.48 0.51 5.22 0.08 -0.88 -1.53 117.98 126.27 3ek1 s PHE 266 Ca 0.01 0.66 0.24 0.00 0.12 0.00 0.00 56.93 57.96 3ek1 s PHE 266 Cb -0.17 -2.30 1.35 0.00 -0.57 0.00 0.00 43.02 41.32 3ek1 s PHE 266 CO -0.01 -0.30 1.98 -0.44 -0.10 0.00 0.00 175.22 176.34 3ek1 h ASP 267 N 0.26 0.07 -0.79 1.36 3.32 -1.89 0.57 116.42 119.32 3ek1 h ASP 267 Ca -0.47 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.27 3ek1 h ASP 267 Cb 1.22 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3ek1 h ASP 267 CO 0.61 0.03 0.40 -0.90 -1.72 0.00 0.00 179.24 177.66 3ek1 n ASP 268 N -4.39 4.31 -4.77 6.45 5.75 -1.26 -4.94 116.55 117.71 3ek1 n ASP 268 Ca 0.11 -3.28 -0.34 0.00 -0.01 0.00 0.00 54.79 51.27 3ek1 n ASP 268 Cb 0.62 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.96 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek1 s ALA 269 N -2.93 2.59 -0.46 2.12 0.00 0.19 -2.73 121.76 120.55 3ek1 s ALA 269 Ca 0.52 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 3ek1 s ALA 269 Cb 0.43 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 3ek1 s ALA 269 CO 0.12 -1.00 1.76 0.34 0.00 0.00 0.00 175.76 176.98 3ek1 s ASP 270 N -2.12 5.72 0.00 0.00 -1.08 -1.26 -4.90 116.67 113.03 3ek1 s ASP 270 Ca 0.70 0.84 -0.22 0.00 -0.52 0.00 0.00 52.55 53.35 3ek1 s ASP 270 Cb -0.23 -2.53 -0.18 0.00 -1.46 0.00 0.00 42.92 38.52 3ek1 s ASP 270 CO 0.33 -1.93 1.23 0.25 0.52 0.00 0.00 175.17 175.57 3ek1 h LEU 271 N 14.53 0.31 -0.89 -1.34 5.85 -1.94 0.34 115.31 132.17 3ek1 h LEU 271 Ca -0.30 -0.59 0.14 0.00 0.84 0.00 0.00 57.88 57.97 3ek1 h LEU 271 Cb 1.16 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 3ek1 h LEU 271 CO 1.11 0.85 0.50 0.44 -0.34 0.00 0.00 178.44 181.00 3ek1 h ASP 272 N -0.20 0.65 -0.53 1.25 3.32 -1.99 0.67 116.42 119.59 3ek1 h ASP 272 Ca -0.00 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3ek1 h ASP 272 Cb 0.81 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 3ek1 h ASP 272 CO 0.04 0.30 -0.11 0.00 -1.72 0.00 0.00 179.24 177.76 3ek1 h ALA 273 N 1.55 0.73 -0.81 3.45 0.00 -1.84 -1.60 119.26 120.74 3ek1 h ALA 273 Ca 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 273 Cb 0.60 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ek1 h ALA 273 CO -0.33 0.64 0.52 0.00 0.00 0.00 0.00 179.25 180.08 3ek1 h ALA 274 N 0.92 1.02 -0.54 0.00 0.00 -0.00 0.15 119.26 120.81 3ek1 h ALA 274 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 274 Cb 0.67 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ek1 h ALA 274 CO 0.05 0.46 0.36 0.28 0.00 0.00 0.00 179.25 180.39 3ek1 h VAL 275 N 1.10 1.14 -0.44 0.00 2.07 -0.61 -1.31 116.25 118.20 3ek1 h VAL 275 Ca 0.29 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3ek1 h VAL 275 Cb -0.09 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ek1 h VAL 275 CO -0.06 0.13 0.02 0.44 0.02 0.00 0.00 177.57 178.13 3ek1 h ASP 276 N 0.73 0.66 -0.42 0.57 3.32 -0.79 -1.50 116.42 119.00 3ek1 h ASP 276 Ca 0.20 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3ek1 h ASP 276 Cb -0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3ek1 h ASP 276 CO -0.04 0.71 -0.04 1.23 -1.72 0.00 0.00 179.24 179.39 3ek1 h GLY 277 N 0.93 0.82 1.15 2.75 0.00 -0.69 -2.37 103.07 105.66 3ek1 h GLY 277 Ca 0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3ek1 h GLY 277 CO 0.01 0.58 0.31 0.00 0.00 0.00 0.00 176.54 177.44 3ek1 h ALA 278 N 0.88 1.16 -0.35 3.60 0.00 -1.00 -0.89 119.26 122.66 3ek1 h ALA 278 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 278 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ek1 h ALA 278 CO 0.03 0.62 0.12 0.52 0.00 0.00 0.00 179.25 180.53 3ek1 h MET 279 N 1.06 0.53 -0.18 0.00 2.07 -1.07 -0.02 114.93 117.31 3ek1 h MET 279 Ca 0.25 -0.11 -0.20 0.00 -2.07 0.00 0.00 59.70 57.58 3ek1 h MET 279 Cb 0.17 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 3ek1 h MET 279 CO -0.02 0.54 -0.68 0.28 1.07 0.00 0.00 176.91 178.10 3ek1 h VAL 280 N 0.41 1.30 0.00 -2.22 2.07 -1.30 -1.54 116.25 114.96 3ek1 h VAL 280 Ca 0.11 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3ek1 h VAL 280 Cb 0.22 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3ek1 h VAL 280 CO -0.01 0.60 -0.33 0.77 0.02 0.00 0.00 177.57 178.63 3ek1 h SER 281 N 0.52 0.00 0.05 0.57 4.64 -1.10 -3.14 113.55 115.09 3ek1 h SER 281 Ca -0.02 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.97 3ek1 h SER 281 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 3ek1 h SER 281 CO 0.14 0.00 -1.81 1.17 -0.87 0.00 0.00 176.83 175.46 3ek1 n LYS 282 N -2.91 0.66 0.00 4.77 3.00 -0.03 -1.77 118.16 121.88 3ek1 n LYS 282 Ca 0.03 0.38 0.10 0.00 -0.00 0.00 0.00 58.31 58.81 3ek1 n LYS 282 Cb 0.53 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.79 3ek1 n LYS 282 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ek1 n TYR 283 N -3.91 0.00 -1.77 5.64 4.01 -0.58 -3.20 117.16 117.35 3ek1 n TYR 283 Ca -0.35 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 56.98 3ek1 n TYR 283 Cb 0.89 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.92 3ek1 n TYR 283 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3ek1 n ARG 284 N -1.01 2.49 -2.88 -0.72 0.63 -1.18 -1.88 116.66 112.10 3ek1 n ARG 284 Ca 0.05 0.88 -0.19 0.00 -0.92 0.00 0.00 57.85 57.67 3ek1 n ARG 284 Cb 0.36 -2.66 0.01 0.00 0.45 0.00 0.00 32.46 30.62 3ek1 n ARG 284 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3ek1 n ASN 285 N 0.16 -4.70 -2.29 6.15 5.15 -1.26 -1.36 115.26 117.10 3ek1 n ASN 285 Ca 0.03 -0.14 -0.20 0.00 -0.60 0.00 0.00 54.58 53.67 3ek1 n ASN 285 Cb 0.40 -3.89 -0.02 0.00 -0.53 0.00 0.00 39.78 35.74 3ek1 n ASN 285 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ek1 n ALA 286 N -2.96 -0.59 -1.00 5.20 0.00 -0.79 -1.66 120.51 118.70 3ek1 n ALA 286 Ca -0.11 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ek1 n ALA 286 Cb 0.60 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.93 3ek1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 287 N -0.91 0.49 2.07 0.00 0.00 -0.47 -1.16 105.19 105.22 3ek1 n GLY 287 Ca -0.23 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 3ek1 n GLY 287 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ek1 n GLN 288 N -2.90 2.27 -3.98 1.61 6.02 -0.67 -3.02 117.38 116.71 3ek1 n GLN 288 Ca -0.00 -3.10 -0.27 0.00 -0.01 0.00 0.00 57.00 53.61 3ek1 n GLN 288 Cb 0.01 -2.14 -0.04 0.00 1.02 0.00 0.00 30.24 29.09 3ek1 n GLN 288 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ek1 s THR 289 N -3.53 5.07 -0.21 5.09 -4.23 -1.26 -4.80 115.64 111.77 3ek1 s THR 289 Ca 0.56 -0.73 0.27 0.00 -1.18 0.00 0.00 61.69 60.61 3ek1 s THR 289 Cb 0.47 -3.57 0.36 0.00 1.34 0.00 0.00 72.50 71.10 3ek1 s THR 289 CO 0.07 -0.03 1.76 0.00 -0.54 0.00 0.00 174.62 175.89 3ek1 n VAL 291 N -3.10 0.77 -2.32 0.00 0.24 -1.26 -4.26 118.33 108.39 3ek1 n VAL 291 Ca 0.03 -0.56 -0.41 0.00 -2.04 0.00 0.00 64.34 61.36 3ek1 n VAL 291 Cb 0.44 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 3ek1 n VAL 291 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 n ALA 293 N 1.39 -0.02 -0.06 0.00 0.00 -0.73 -4.12 120.51 116.97 3ek1 n ALA 293 Ca 0.01 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 3ek1 n ALA 293 Cb 0.44 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 3ek1 n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ek1 n ASN 294 N 5.19 1.04 -3.75 0.00 5.15 0.36 -4.72 115.26 118.52 3ek1 n ASN 294 Ca 0.24 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.99 3ek1 n ASN 294 Cb 0.18 1.11 -0.17 0.00 -0.53 0.00 0.00 39.78 40.36 3ek1 n ASN 294 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ek1 s ARG 295 N -2.58 0.51 -0.42 1.20 0.52 -0.84 -4.56 118.95 112.78 3ek1 s ARG 295 Ca -0.08 0.05 -0.13 0.00 -0.52 0.00 0.00 55.73 55.06 3ek1 s ARG 295 Cb 0.06 -1.13 0.05 0.00 0.52 0.00 0.00 34.95 34.45 3ek1 s ARG 295 CO 0.67 -0.37 0.30 0.42 0.02 0.00 0.00 175.30 176.34 3ek1 s ILE 296 N 1.99 4.90 -0.24 1.52 1.01 -0.60 -0.86 121.20 128.92 3ek1 s ILE 296 Ca 0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 3ek1 s ILE 296 Cb -0.13 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3ek1 s ILE 296 CO -0.06 -0.41 0.22 -0.31 0.00 0.00 0.00 174.94 174.38 3ek1 s TYR 297 N 1.59 3.30 -0.06 3.97 2.02 0.14 0.06 117.35 128.37 3ek1 s TYR 297 Ca 0.04 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.05 3ek1 s TYR 297 Cb -0.21 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 38.99 3ek1 s TYR 297 CO 0.07 -0.02 -0.15 0.08 -1.57 0.00 0.00 175.55 173.96 3ek1 s VAL 298 N 1.32 1.29 0.37 0.71 1.01 -0.11 -0.50 120.40 124.49 3ek1 s VAL 298 Ca 0.10 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 3ek1 s VAL 298 Cb -0.14 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3ek1 s VAL 298 CO 0.07 0.38 1.15 -1.58 0.00 0.00 0.00 175.10 175.12 3ek1 s GLN 299 N 0.39 4.20 0.25 2.72 0.74 -0.58 -2.13 119.66 125.25 3ek1 s GLN 299 Ca -0.11 1.80 -0.09 0.00 0.05 0.00 0.00 55.36 57.01 3ek1 s GLN 299 Cb -0.14 -2.77 0.39 0.00 1.10 0.00 0.00 33.01 31.59 3ek1 s GLN 299 CO 0.03 -0.18 1.59 -0.09 -0.55 0.00 0.00 175.29 176.09 3ek1 h ARG 300 N 2.88 0.01 -0.57 1.67 2.43 -1.29 -0.65 114.38 118.86 3ek1 h ARG 300 Ca -0.48 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 58.85 3ek1 h ARG 300 Cb 1.23 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3ek1 h ARG 300 CO 0.63 0.00 0.43 0.78 -1.51 0.00 0.00 179.97 180.31 3ek1 h GLY 301 N 0.01 0.00 0.00 2.80 0.00 -1.90 -2.78 103.07 101.19 3ek1 h GLY 301 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3ek1 h GLY 301 CO -0.86 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.01 3ek1 n VAL 302 N -4.26 0.59 0.05 4.60 0.24 -0.34 -4.79 118.33 114.42 3ek1 n VAL 302 Ca 0.11 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.34 61.52 3ek1 n VAL 302 Cb 0.66 0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 33.70 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 0.00 -0.22 -0.22 6.34 3.20 -1.03 0.24 116.97 125.28 3ek1 h TYR 303 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3ek1 h TYR 303 Cb 0.32 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3ek1 h TYR 303 CO 0.00 -0.13 -0.04 -0.44 -1.64 0.00 0.00 178.16 175.90 3ek1 h ASP 304 N -0.15 0.41 -0.96 -2.11 3.32 -1.87 -1.05 116.42 114.02 3ek1 h ASP 304 Ca 0.03 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.77 3ek1 h ASP 304 Cb 0.19 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 3ek1 h ASP 304 CO -0.09 0.67 0.62 0.50 -1.72 0.00 0.00 179.24 179.23 3ek1 h LYS 305 N 0.15 1.16 -0.06 3.56 3.64 -1.89 -0.17 116.57 122.97 3ek1 h LYS 305 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ek1 h LYS 305 Cb 0.49 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3ek1 h LYS 305 CO 0.02 0.77 -0.04 0.35 -2.27 0.00 0.00 179.45 178.28 3ek1 h PHE 306 N 1.19 0.15 -0.74 1.91 3.57 -0.64 -1.49 116.94 120.89 3ek1 h PHE 306 Ca 0.39 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.92 3ek1 h PHE 306 Cb 0.02 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3ek1 h PHE 306 CO -0.01 0.54 0.42 0.00 -2.23 0.00 0.00 178.31 177.03 3ek1 h ALA 307 N 0.58 1.02 -0.45 2.41 0.00 -1.03 0.10 119.26 121.89 3ek1 h ALA 307 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 307 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ek1 h ALA 307 CO 0.01 0.08 -0.17 1.49 0.00 0.00 0.00 179.25 180.66 3ek1 h GLU 308 N 0.74 0.87 -0.45 0.00 4.81 -0.93 -1.44 114.58 118.18 3ek1 h GLU 308 Ca 0.34 -0.33 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3ek1 h GLU 308 Cb 0.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3ek1 h GLU 308 CO -0.21 0.98 -0.26 0.87 -0.73 0.00 0.00 179.01 179.66 3ek1 h LYS 309 N 0.77 0.97 -0.52 1.92 1.57 -0.66 -2.72 116.57 117.90 3ek1 h LYS 309 Ca 0.11 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.38 3ek1 h LYS 309 Cb 0.70 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3ek1 h LYS 309 CO 0.05 1.10 0.01 1.25 -0.57 0.00 0.00 179.45 181.30 3ek1 h LEU 310 N 0.82 0.89 -0.55 2.94 5.85 -0.83 -2.78 115.31 121.66 3ek1 h LEU 310 Ca 0.10 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3ek1 h LEU 310 Cb 0.84 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3ek1 h LEU 310 CO 0.07 0.97 0.30 0.00 -0.34 0.00 0.00 178.44 179.44 3ek1 h ALA 311 N 0.95 0.70 -1.00 1.25 0.00 -1.20 0.28 119.26 120.24 3ek1 h ALA 311 Ca 0.15 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3ek1 h ALA 311 Cb 0.51 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3ek1 h ALA 311 CO 0.02 -0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.88 3ek1 h ALA 312 N 1.27 1.56 0.14 0.00 0.00 -1.25 -0.41 119.26 120.59 3ek1 h ALA 312 Ca 0.23 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 312 Cb 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ek1 h ALA 312 CO -0.14 0.17 -1.27 0.87 0.00 0.00 0.00 179.25 178.89 3ek1 h LYS 313 N 0.95 0.46 -0.48 0.00 1.79 -1.00 -3.25 116.57 115.04 3ek1 h LYS 313 Ca 0.50 -0.69 -0.08 0.00 -2.18 0.00 0.00 60.65 58.21 3ek1 h LYS 313 Cb 0.56 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 3ek1 h LYS 313 CO -0.27 1.31 -0.00 0.28 -1.08 0.00 0.00 179.45 179.68 3ek1 h VAL 314 N 0.17 1.26 -0.72 0.50 2.07 -0.61 -2.65 116.25 116.28 3ek1 h VAL 314 Ca -0.17 -1.08 0.14 0.00 0.82 0.00 0.00 66.70 66.41 3ek1 h VAL 314 Cb 1.96 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 3ek1 h VAL 314 CO 0.23 0.38 0.48 0.50 0.02 0.00 0.00 177.57 179.17 3ek1 h LYS 315 N 0.71 0.39 0.00 1.57 3.64 -1.18 -1.67 116.57 120.03 3ek1 h LYS 315 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ek1 h LYS 315 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ek1 h LYS 315 CO 0.03 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 177.85 3ek1 n GLU 316 N -4.47 0.53 -2.29 1.90 1.02 -1.00 -4.88 120.64 111.45 3ek1 n GLU 316 Ca 0.13 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3ek1 n GLU 316 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 3ek1 n GLU 316 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ek1 s LEU 317 N -2.46 4.27 -0.24 -4.62 1.43 -0.63 -4.98 118.68 111.44 3ek1 s LEU 317 Ca 0.32 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 3ek1 s LEU 317 Cb 0.20 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.89 3ek1 s LEU 317 CO 0.44 -0.75 1.03 -0.75 0.23 0.00 0.00 176.35 176.55 3ek1 s LYS 318 N 3.02 4.22 -0.15 1.70 2.20 -1.26 -4.93 119.74 124.53 3ek1 s LYS 318 Ca 0.61 1.29 -0.11 0.00 -0.36 0.00 0.00 55.97 57.40 3ek1 s LYS 318 Cb -0.27 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 3ek1 s LYS 318 CO 0.22 -0.67 0.20 0.08 -0.36 0.00 0.00 175.35 174.83 3ek1 s VAL 319 N 3.25 5.38 -2.60 4.02 1.01 -1.26 -0.92 120.40 129.27 3ek1 s VAL 319 Ca 0.44 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3ek1 s VAL 319 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3ek1 s VAL 319 CO 0.08 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3ek1 n GLY 320 N 2.98 -1.59 3.67 4.51 0.00 -0.18 -4.98 105.19 109.60 3ek1 n GLY 320 Ca -0.16 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.29 3ek1 n GLY 320 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ek1 n ASN 321 N 1.56 2.88 0.31 1.61 2.85 -1.26 -4.21 115.26 119.00 3ek1 n ASN 321 Ca 0.00 1.05 0.15 0.00 -0.11 0.00 0.00 54.58 55.68 3ek1 n ASN 321 Cb 0.00 -1.33 0.82 0.00 1.24 0.00 0.00 39.78 40.51 3ek1 n ASN 321 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3ek1 h GLY 322 N 6.91 0.00 0.40 8.20 0.00 -1.85 -1.24 103.07 115.49 3ek1 h GLY 322 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3ek1 h GLY 322 CO 0.90 0.00 -0.18 -1.30 0.00 0.00 0.00 176.54 175.96 3ek1 n THR 323 N -2.81 0.00 -3.09 4.70 -2.24 -1.26 -2.01 114.28 107.57 3ek1 n THR 323 Ca -0.02 -0.12 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 3ek1 n THR 323 Cb 0.32 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 3ek1 n THR 323 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ek1 s GLU 324 N -2.43 4.42 0.34 -0.78 0.41 -0.47 -5.00 118.70 115.20 3ek1 s GLU 324 Ca 0.28 0.99 -0.29 0.00 -0.41 0.00 0.00 54.97 55.54 3ek1 s GLU 324 Cb 0.20 -3.25 -0.11 0.00 -1.78 0.00 0.00 34.13 29.19 3ek1 s GLU 324 CO 0.48 0.60 1.42 -2.14 -0.49 0.00 0.00 175.26 175.13 3ek1 s PRO 325 N -1.15 4.22 0.00 0.39 0.02 -1.26 -2.23 135.00 134.99 3ek1 s PRO 325 Ca 0.33 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3ek1 s PRO 325 Cb -0.22 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3ek1 s PRO 325 CO 0.23 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3ek1 n GLY 326 N 0.82 2.90 3.70 0.52 0.00 -1.26 -5.01 105.19 106.86 3ek1 n GLY 326 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ek1 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 327 N -1.79 3.25 -0.11 1.61 1.01 -0.95 -4.58 120.40 118.85 3ek1 s VAL 327 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.80 3ek1 s VAL 327 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3ek1 s VAL 327 CO 0.00 0.03 0.11 1.33 0.00 0.00 0.00 175.10 176.57 3ek1 n VAL 328 N 4.35 0.00 -4.16 2.92 0.24 -0.10 -4.82 118.33 116.77 3ek1 n VAL 328 Ca 0.13 -0.33 -0.29 0.00 -2.04 0.00 0.00 64.34 61.81 3ek1 n VAL 328 Cb 0.42 0.85 -0.17 0.00 -1.47 0.00 0.00 33.84 33.47 3ek1 n VAL 328 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ek1 s ILE 329 N -1.53 1.49 0.49 1.34 -1.09 -0.53 -4.83 121.20 116.54 3ek1 s ILE 329 Ca 0.01 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 3ek1 s ILE 329 Cb 0.02 -1.39 0.11 0.00 -1.58 0.00 0.00 42.46 39.61 3ek1 s ILE 329 CO 0.12 0.44 0.67 0.61 -1.23 0.00 0.00 174.94 175.56 3ek1 n GLY 330 N 4.60 -0.23 3.77 6.18 0.00 -1.26 -1.01 105.19 117.24 3ek1 n GLY 330 Ca -0.17 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3ek1 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek1 s PRO 331 N -4.30 2.50 0.64 1.61 0.04 -1.26 -4.73 135.00 129.50 3ek1 s PRO 331 Ca 0.41 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 3ek1 s PRO 331 Cb -0.02 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 3ek1 s PRO 331 CO 0.28 -1.46 1.06 -1.64 0.04 0.00 0.00 177.00 175.27 3ek1 s MET 332 N -4.67 3.15 0.24 4.56 -1.94 -0.08 -4.72 119.30 115.83 3ek1 s MET 332 Ca 0.62 1.06 0.04 0.00 -1.71 0.00 0.00 55.69 55.70 3ek1 s MET 332 Cb -0.18 -2.01 0.25 0.00 2.01 0.00 0.00 34.83 34.90 3ek1 s MET 332 CO 0.51 -0.94 1.57 0.97 -0.01 0.00 0.00 175.02 177.12 3ek1 h ILE 333 N -0.14 1.37 -2.91 2.53 6.09 -1.86 -3.46 117.51 119.12 3ek1 h ILE 333 Ca -0.45 -1.90 -0.03 0.00 -1.37 0.00 0.00 64.86 61.11 3ek1 h ILE 333 Cb 1.21 1.93 -0.13 0.00 0.47 0.00 0.00 36.82 40.30 3ek1 h ILE 333 CO 0.57 0.57 0.18 -1.83 -3.07 0.00 0.00 178.15 174.57 3ek1 s GLU 334 N -3.84 1.23 0.29 2.19 -1.05 -1.26 -4.87 118.70 111.39 3ek1 s GLU 334 Ca -0.05 -0.40 0.01 0.00 -0.15 0.00 0.00 54.97 54.39 3ek1 s GLU 334 Cb 0.12 0.57 0.46 0.00 -0.44 0.00 0.00 34.13 34.83 3ek1 s GLU 334 CO 0.80 -0.52 1.81 1.49 0.95 0.00 0.00 175.26 179.80 3ek1 h GLU 335 N 2.17 0.67 0.00 -4.83 4.22 -1.96 -1.76 114.58 113.09 3ek1 h GLU 335 Ca -0.33 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 58.95 3ek1 h GLU 335 Cb 1.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ek1 h GLU 335 CO 0.39 0.69 0.00 1.57 -2.18 0.00 0.00 179.01 179.47 3ek1 h LYS 336 N 0.64 0.00 -0.48 1.92 2.10 -1.99 -1.59 116.57 117.16 3ek1 h LYS 336 Ca 0.13 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.68 3ek1 h LYS 336 Cb 0.39 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.70 3ek1 h LYS 336 CO 0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 179.45 177.37 3ek1 h ALA 337 N 2.05 0.66 -0.20 0.07 0.00 -1.73 -2.54 119.26 117.57 3ek1 h ALA 337 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3ek1 h ALA 337 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ek1 h ALA 337 CO 0.00 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.62 3ek1 h ILE 338 N 0.77 1.26 -0.72 0.00 2.04 -1.36 -2.20 117.51 117.29 3ek1 h ILE 338 Ca 0.13 -0.88 0.13 0.00 1.00 0.00 0.00 64.86 65.24 3ek1 h ILE 338 Cb 0.64 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 3ek1 h ILE 338 CO 0.04 0.27 0.27 0.74 0.00 0.00 0.00 178.15 179.47 3ek1 h THR 339 N 0.11 0.66 -0.13 -0.27 2.02 -1.32 0.00 112.91 113.98 3ek1 h THR 339 Ca 0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ek1 h THR 339 Cb 0.40 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3ek1 h THR 339 CO 0.01 0.08 0.05 0.50 0.37 0.00 0.00 175.52 176.52 3ek1 h LYS 340 N 0.42 0.21 -0.94 6.66 3.64 -1.20 0.19 116.57 125.54 3ek1 h LYS 340 Ca 0.39 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 3ek1 h LYS 340 Cb 0.59 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3ek1 h LYS 340 CO -0.40 0.32 0.60 0.28 -2.27 0.00 0.00 179.45 177.99 3ek1 h VAL 341 N 0.04 1.10 -0.69 2.00 2.07 -0.87 0.16 116.25 120.06 3ek1 h VAL 341 Ca 0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ek1 h VAL 341 Cb 0.20 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 3ek1 h VAL 341 CO -0.00 0.20 0.43 0.11 0.02 0.00 0.00 177.57 178.33 3ek1 h LYS 342 N 1.12 0.93 -0.63 1.57 1.57 -0.56 -0.81 116.57 119.75 3ek1 h LYS 342 Ca 0.40 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3ek1 h LYS 342 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3ek1 h LYS 342 CO -0.16 0.64 0.07 0.00 -0.57 0.00 0.00 179.45 179.44 3ek1 h ALA 343 N 1.23 0.84 -0.50 3.86 0.00 0.13 0.90 119.26 125.72 3ek1 h ALA 343 Ca 0.25 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 343 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ek1 h ALA 343 CO -0.05 0.63 0.30 0.45 0.00 0.00 0.00 179.25 180.58 3ek1 h HIS 344 N 0.98 0.57 -0.31 0.00 3.86 -0.67 0.87 115.15 120.45 3ek1 h HIS 344 Ca 0.19 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3ek1 h HIS 344 Cb 0.48 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3ek1 h HIS 344 CO 0.04 0.33 0.19 0.82 0.86 0.00 0.00 177.93 180.16 3ek1 h ILE 345 N 0.61 1.11 -0.33 2.45 2.04 -0.40 -1.72 117.51 121.27 3ek1 h ILE 345 Ca 0.20 -0.26 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 3ek1 h ILE 345 Cb 0.01 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ek1 h ILE 345 CO -0.08 0.11 -0.45 -0.33 0.00 0.00 0.00 178.15 177.39 3ek1 h GLU 346 N 0.40 0.85 -0.47 2.37 5.08 -0.53 -1.64 114.58 120.63 3ek1 h GLU 346 Ca 0.11 -0.48 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3ek1 h GLU 346 Cb 0.02 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3ek1 h GLU 346 CO -0.02 1.12 0.29 0.22 -1.00 0.00 0.00 179.01 179.63 3ek1 h ASP 347 N 0.68 0.49 -0.32 1.42 3.58 -0.76 -1.89 116.42 119.62 3ek1 h ASP 347 Ca 0.04 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3ek1 h ASP 347 Cb 1.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 3ek1 h ASP 347 CO 0.10 0.35 0.03 0.00 -2.88 0.00 0.00 179.24 176.84 3ek1 h ALA 348 N 1.20 0.43 -0.39 -0.78 0.00 -0.78 -1.83 119.26 117.11 3ek1 h ALA 348 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 348 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ek1 h ALA 348 CO -0.07 0.16 0.12 0.28 0.00 0.00 0.00 179.25 179.74 3ek1 h VAL 349 N 0.37 1.22 -0.07 0.00 2.07 -1.27 -0.70 116.25 117.86 3ek1 h VAL 349 Ca 0.09 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3ek1 h VAL 349 Cb 0.40 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3ek1 h VAL 349 CO 0.01 0.25 0.08 0.77 0.02 0.00 0.00 177.57 178.70 3ek1 h SER 350 N 0.49 0.00 -0.37 0.57 4.64 -1.25 0.52 113.55 118.15 3ek1 h SER 350 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ek1 h SER 350 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3ek1 h SER 350 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ek1 n LYS 351 N -3.82 1.99 0.00 4.77 5.02 -0.37 -4.95 118.16 120.80 3ek1 n LYS 351 Ca -0.01 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3ek1 n LYS 351 Cb 0.17 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3ek1 n LYS 351 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek1 n GLY 352 N 1.21 0.67 3.75 0.72 0.00 0.18 -5.03 105.19 106.69 3ek1 n GLY 352 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3ek1 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s ALA 353 N -2.00 2.06 -0.16 4.61 0.00 -0.64 -4.91 121.76 120.73 3ek1 s ALA 353 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3ek1 s ALA 353 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3ek1 s ALA 353 CO 0.00 -1.95 -0.19 0.15 0.00 0.00 0.00 175.76 173.77 3ek1 s LYS 354 N -4.89 3.07 -0.73 0.00 1.02 -0.30 -4.20 119.74 113.71 3ek1 s LYS 354 Ca 0.62 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 55.53 3ek1 s LYS 354 Cb -0.18 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 3ek1 s LYS 354 CO 0.56 -0.06 1.30 -1.17 -0.92 0.00 0.00 175.35 175.06 3ek1 s LEU 355 N 0.96 3.17 0.19 3.17 2.96 -1.26 -1.14 118.68 126.73 3ek1 s LEU 355 Ca -0.03 -0.42 0.23 0.00 -0.22 0.00 0.00 54.13 53.70 3ek1 s LEU 355 Cb -0.15 -2.56 0.22 0.00 0.50 0.00 0.00 46.19 44.20 3ek1 s LEU 355 CO -0.04 -1.86 1.26 0.16 -1.32 0.00 0.00 176.35 174.55 3ek1 h ILE 356 N 6.06 0.00 -1.91 6.68 3.07 -1.34 -3.47 117.51 126.60 3ek1 h ILE 356 Ca -0.28 -0.75 -0.02 0.00 1.55 0.00 0.00 64.86 65.35 3ek1 h ILE 356 Cb 1.05 1.37 -0.21 0.00 -0.27 0.00 0.00 36.82 38.76 3ek1 h ILE 356 CO 1.28 0.00 0.23 0.28 -1.05 0.00 0.00 178.15 178.89 3ek1 s THR 357 N -3.25 0.00 0.00 0.16 -1.32 -1.20 -4.97 115.64 105.05 3ek1 s THR 357 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3ek1 s THR 357 Cb 0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 3ek1 s THR 357 CO 0.74 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 3ek1 n GLY 358 N 1.80 2.29 2.82 6.08 0.00 -1.26 -1.42 105.19 115.51 3ek1 n GLY 358 Ca -0.15 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 3ek1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 359 N 0.00 -0.02 3.22 -0.02 0.00 -0.68 -4.82 105.19 102.86 3ek1 n GLY 359 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 3ek1 n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 360 N -5.79 0.95 0.27 1.61 -0.14 -1.25 -4.92 119.74 110.46 3ek1 s LYS 360 Ca 0.36 -1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 3ek1 s LYS 360 Cb -0.16 -1.06 -0.10 0.00 -1.68 0.00 0.00 37.83 34.84 3ek1 s LYS 360 CO 0.45 0.24 1.37 -1.21 -0.76 0.00 0.00 175.35 175.43 3ek1 s GLU 361 N -1.83 4.32 0.00 1.68 2.02 -1.26 -0.46 118.70 123.17 3ek1 s GLU 361 Ca 0.02 2.22 0.08 0.00 0.02 0.00 0.00 54.97 57.31 3ek1 s GLU 361 Cb -0.10 -3.11 0.13 0.00 0.10 0.00 0.00 34.13 31.15 3ek1 s GLU 361 CO 0.03 -0.31 0.94 1.28 0.02 0.00 0.00 175.26 177.22 3ek1 n LEU 362 N 1.88 2.10 0.00 1.80 4.77 -0.49 -4.90 117.00 122.16 3ek1 n LEU 362 Ca 0.04 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 3ek1 n LEU 362 Cb 0.41 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3ek1 n LEU 362 CO 0.59 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3ek1 n GLY 363 N 0.37 2.71 7.00 -0.72 0.00 -1.25 -4.91 105.19 108.39 3ek1 n GLY 363 Ca 0.06 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3ek1 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 364 N 0.97 3.26 1.49 -0.02 0.00 -1.26 -1.80 105.19 107.83 3ek1 n GLY 364 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3ek1 n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ek1 n LEU 365 N 0.00 4.40 -4.78 0.99 4.77 -1.26 -4.92 117.00 116.20 3ek1 n LEU 365 Ca 0.00 -2.23 -0.39 0.00 -0.03 0.00 0.00 56.01 53.36 3ek1 n LEU 365 Cb 0.00 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3ek1 n LEU 365 CO 0.00 0.90 0.36 -0.36 -1.33 0.00 0.00 177.39 176.96 3ek1 s PHE 366 N -1.44 3.79 -0.01 -1.77 0.08 -0.75 -0.90 117.98 116.99 3ek1 s PHE 366 Ca 0.51 1.37 0.01 0.00 0.12 0.00 0.00 56.93 58.94 3ek1 s PHE 366 Cb 0.30 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 3ek1 s PHE 366 CO 0.29 0.46 -0.03 0.12 -0.10 0.00 0.00 175.22 175.96 3ek1 s PHE 367 N -0.72 0.34 -0.01 0.36 5.36 -1.26 -1.40 117.98 120.65 3ek1 s PHE 367 Ca 0.33 -0.06 -0.30 0.00 -0.96 0.00 0.00 56.93 55.94 3ek1 s PHE 367 Cb -0.20 -0.25 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 3ek1 s PHE 367 CO 0.21 -0.03 1.08 -2.00 -1.46 0.00 0.00 175.22 173.02 3ek1 s GLU 368 N 0.11 4.47 0.43 10.12 2.12 0.39 -4.93 118.70 131.41 3ek1 s GLU 368 Ca -0.01 1.56 -0.25 0.00 0.36 0.00 0.00 54.97 56.63 3ek1 s GLU 368 Cb -0.04 -3.45 -0.10 0.00 0.26 0.00 0.00 34.13 30.81 3ek1 s GLU 368 CO -0.00 -0.21 1.24 -2.30 -0.54 0.00 0.00 175.26 173.45 3ek1 n PRO 369 N 4.26 1.83 -4.03 4.30 -0.02 -1.26 -1.69 135.00 138.39 3ek1 n PRO 369 Ca 0.08 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3ek1 n PRO 369 Cb 0.49 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3ek1 n PRO 369 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ek1 s GLY 370 N -0.59 0.73 -0.02 -1.23 0.00 -0.46 -3.26 107.32 102.50 3ek1 s GLY 370 Ca 0.62 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3ek1 s GLY 370 CO 0.57 -0.92 -0.04 -0.42 0.00 0.00 0.00 173.10 172.29 3ek1 s ILE 371 N -4.03 0.40 -0.07 0.90 1.01 -0.51 -1.27 121.20 117.64 3ek1 s ILE 371 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3ek1 s ILE 371 Cb 0.03 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 3ek1 s ILE 371 CO 0.06 0.16 -0.04 -0.76 0.00 0.00 0.00 174.94 174.35 3ek1 s LEU 372 N 0.44 3.31 0.28 2.97 1.43 -0.28 -0.81 118.68 126.02 3ek1 s LEU 372 Ca -0.05 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3ek1 s LEU 372 Cb -0.08 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3ek1 s LEU 372 CO -0.00 0.36 0.17 0.42 0.23 0.00 0.00 176.35 177.52 3ek1 s THR 373 N -0.85 3.94 -0.49 5.49 -4.23 -0.29 -1.28 115.64 117.93 3ek1 s THR 373 Ca 0.13 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3ek1 s THR 373 Cb -0.11 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3ek1 s THR 373 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3ek1 n GLY 374 N -1.15 0.39 3.76 3.99 0.00 -1.20 -1.15 105.19 109.83 3ek1 n GLY 374 Ca -0.06 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3ek1 n GLY 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 375 N -2.24 4.20 0.21 1.61 1.01 -0.95 -4.13 120.40 120.12 3ek1 s VAL 375 Ca 0.00 1.93 0.03 0.00 0.00 0.00 0.00 61.98 63.93 3ek1 s VAL 375 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3ek1 s VAL 375 CO 0.00 0.51 0.01 0.42 0.00 0.00 0.00 175.10 176.04 3ek1 s THR 376 N -1.16 0.86 -0.42 3.92 -4.23 -1.26 -4.03 115.64 109.32 3ek1 s THR 376 Ca 0.39 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 59.08 3ek1 s THR 376 Cb -0.25 -2.30 0.20 0.00 1.34 0.00 0.00 72.50 71.49 3ek1 s THR 376 CO 0.30 -0.34 1.60 -1.54 -0.54 0.00 0.00 174.62 174.09 3ek1 n SER 377 N -0.36 0.50 -0.21 3.99 3.41 -1.26 -1.79 113.62 117.90 3ek1 n SER 377 Ca -0.05 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.39 3ek1 n SER 377 Cb 0.64 -0.77 0.57 0.00 -0.26 0.00 0.00 64.21 64.39 3ek1 n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ek1 n ASP 378 N -2.13 0.78 -4.85 4.04 5.75 -1.26 -4.79 116.55 114.09 3ek1 n ASP 378 Ca 0.00 -0.90 -0.32 0.00 -0.01 0.00 0.00 54.79 53.56 3ek1 n ASP 378 Cb 0.10 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ek1 s MET 379 N -2.33 4.01 0.31 0.11 -1.94 -0.74 -4.97 119.30 113.76 3ek1 s MET 379 Ca 0.32 0.79 0.03 0.00 -1.71 0.00 0.00 55.69 55.12 3ek1 s MET 379 Cb 0.20 -2.31 0.63 0.00 2.01 0.00 0.00 34.83 35.35 3ek1 s MET 379 CO 0.44 0.01 1.89 1.25 -0.01 0.00 0.00 175.02 178.60 3ek1 h LEU 380 N 1.78 0.83 -2.23 -0.03 5.85 -1.90 -1.18 115.31 118.44 3ek1 h LEU 380 Ca -0.48 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3ek1 h LEU 380 Cb 1.18 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ek1 h LEU 380 CO 0.63 0.48 -0.02 1.62 -0.34 0.00 0.00 178.44 180.82 3ek1 h VAL 381 N 0.91 0.09 0.00 1.05 3.04 -1.88 0.71 116.25 120.17 3ek1 h VAL 381 Ca 0.43 -0.28 -0.04 0.00 -1.01 0.00 0.00 66.70 65.79 3ek1 h VAL 381 Cb 0.41 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3ek1 h VAL 381 CO -0.19 0.02 -0.21 0.00 -1.01 0.00 0.00 177.57 176.18 3ek1 h ALA 382 N 1.98 1.38 0.00 3.17 0.00 -1.49 -3.32 119.26 120.98 3ek1 h ALA 382 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ek1 h ALA 382 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ek1 h ALA 382 CO 0.00 0.26 -1.04 1.63 0.00 0.00 0.00 179.25 180.10 3ek1 n LYS 383 N -3.89 1.05 -4.49 0.00 4.76 0.08 -5.01 118.16 110.65 3ek1 n LYS 383 Ca -0.02 -0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.12 3ek1 n LYS 383 Cb 0.30 -1.04 -0.13 0.00 -1.84 0.00 0.00 35.03 32.31 3ek1 n LYS 383 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3ek1 s GLU 384 N -2.16 1.36 -0.04 1.97 2.12 -0.26 -5.01 118.70 116.68 3ek1 s GLU 384 Ca -0.01 -1.14 -0.30 0.00 0.36 0.00 0.00 54.97 53.87 3ek1 s GLU 384 Cb 0.03 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 3ek1 s GLU 384 CO 0.19 0.40 1.22 -1.21 -0.54 0.00 0.00 175.26 175.31 3ek1 s GLU 385 N -1.66 4.36 0.20 4.30 2.02 -1.26 -4.54 118.70 122.12 3ek1 s GLU 385 Ca 0.09 1.71 -0.03 0.00 0.02 0.00 0.00 54.97 56.76 3ek1 s GLU 385 Cb -0.10 -3.53 0.14 0.00 0.10 0.00 0.00 34.13 30.74 3ek1 s GLU 385 CO 0.04 -0.43 1.54 1.15 0.02 0.00 0.00 175.26 177.58 3ek1 h THR 386 N 4.94 1.31 -5.74 3.63 2.02 -1.90 -3.48 112.91 113.69 3ek1 h THR 386 Ca -0.35 -1.67 -0.42 0.00 0.77 0.00 0.00 66.41 64.73 3ek1 h THR 386 Cb 1.17 1.64 -0.08 0.00 -1.74 0.00 0.00 68.15 69.14 3ek1 h THR 386 CO 0.87 0.53 -0.64 0.49 0.37 0.00 0.00 175.52 177.14 3ek1 n PHE 387 N -4.00 -1.90 -3.93 3.16 3.72 -1.26 -4.46 117.46 108.79 3ek1 n PHE 387 Ca -0.02 0.61 -0.09 0.00 -0.05 0.00 0.00 57.45 57.89 3ek1 n PHE 387 Cb 0.56 -3.25 -0.02 0.00 -0.94 0.00 0.00 39.48 35.82 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ek1 s GLY 388 N -2.91 0.47 -1.32 1.37 0.00 -1.17 -4.33 107.32 99.43 3ek1 s GLY 388 Ca 0.50 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 44.31 3ek1 s GLY 388 CO 0.61 -0.46 2.44 -1.55 0.00 0.00 0.00 173.10 174.15 3ek1 n PRO 389 N -0.47 2.84 -4.45 2.90 -0.04 -0.31 -4.45 135.00 131.03 3ek1 n PRO 389 Ca -0.03 -2.12 -0.25 0.00 -0.04 0.00 0.00 63.50 61.06 3ek1 n PRO 389 Cb 0.61 -2.89 -0.17 0.00 -0.04 0.00 0.00 33.50 31.01 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N 0.87 1.56 -0.41 1.53 2.96 -1.26 -1.36 118.68 122.57 3ek1 s LEU 390 Ca 0.56 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.07 3ek1 s LEU 390 Cb 0.15 -0.82 0.07 0.00 0.50 0.00 0.00 46.19 46.08 3ek1 s LEU 390 CO -0.04 0.00 0.26 0.00 -1.32 0.00 0.00 176.35 175.26 3ek1 s ALA 391 N 0.86 3.32 -0.22 5.97 0.00 -0.39 -4.98 121.76 126.31 3ek1 s ALA 391 Ca -0.11 -2.04 -0.16 0.00 0.00 0.00 0.00 51.96 49.65 3ek1 s ALA 391 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3ek1 s ALA 391 CO 0.01 -1.60 0.41 -1.25 0.00 0.00 0.00 175.76 173.33 3ek1 s PRO 392 N 1.49 4.13 -0.36 0.00 0.04 -1.26 -1.12 135.00 137.91 3ek1 s PRO 392 Ca 0.03 0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 3ek1 s PRO 392 Cb -0.22 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.76 3ek1 s PRO 392 CO 0.04 -0.13 0.21 -0.51 0.04 0.00 0.00 177.00 176.64 3ek1 s LEU 393 N 1.60 4.59 -0.25 -3.56 1.43 -0.41 -1.55 118.68 120.53 3ek1 s LEU 393 Ca 0.18 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 3ek1 s LEU 393 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3ek1 s LEU 393 CO 0.08 -0.33 0.26 -0.36 0.23 0.00 0.00 176.35 176.23 3ek1 s PHE 394 N 1.59 3.29 0.49 0.29 0.08 0.11 -2.23 117.98 121.60 3ek1 s PHE 394 Ca 0.03 0.32 -0.21 0.00 0.12 0.00 0.00 56.93 57.19 3ek1 s PHE 394 Cb -0.18 -2.41 -0.07 0.00 -0.57 0.00 0.00 43.02 39.78 3ek1 s PHE 394 CO 0.07 -0.07 1.10 0.00 -0.10 0.00 0.00 175.22 176.22 3ek1 s ALA 395 N 1.51 2.87 0.07 5.36 0.00 -1.26 -0.93 121.76 129.37 3ek1 s ALA 395 Ca 0.11 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 3ek1 s ALA 395 Cb -0.15 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3ek1 s ALA 395 CO 0.08 -0.54 0.11 -0.59 0.00 0.00 0.00 175.76 174.82 3ek1 s PHE 396 N -1.75 0.26 -0.27 0.00 -0.12 -0.90 -4.83 117.98 110.36 3ek1 s PHE 396 Ca 0.67 -0.70 -0.09 0.00 -0.05 0.00 0.00 56.93 56.76 3ek1 s PHE 396 Cb -0.23 -0.17 -0.13 0.00 -0.63 0.00 0.00 43.02 41.86 3ek1 s PHE 396 CO 0.27 -0.47 -0.32 -0.25 -0.05 0.00 0.00 175.22 174.41 3ek1 n ASP 397 N 0.12 1.96 -4.35 1.98 8.00 -1.26 -0.81 116.55 122.18 3ek1 n ASP 397 Ca -0.15 0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.28 3ek1 n ASP 397 Cb 0.61 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.91 3ek1 n ASP 397 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ek1 s THR 398 N -2.51 2.01 0.17 -3.53 -4.23 -1.26 -4.81 115.64 101.49 3ek1 s THR 398 Ca -0.37 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 58.22 3ek1 s THR 398 Cb 0.13 -1.85 0.07 0.00 1.34 0.00 0.00 72.50 72.18 3ek1 s THR 398 CO 0.52 -0.09 1.77 -0.08 -0.54 0.00 0.00 174.62 176.20 3ek1 h GLU 399 N 3.66 0.40 -0.48 3.99 4.81 -1.99 -1.16 114.58 123.81 3ek1 h GLU 399 Ca -0.47 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3ek1 h GLU 399 Cb 1.19 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 3ek1 h GLU 399 CO 0.44 0.26 0.09 1.49 -0.73 0.00 0.00 179.01 180.56 3ek1 h GLU 400 N 0.41 0.22 -0.29 1.92 4.81 -2.00 -1.31 114.58 118.34 3ek1 h GLU 400 Ca 0.21 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3ek1 h GLU 400 Cb 0.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3ek1 h GLU 400 CO -0.18 0.15 0.12 1.49 -0.73 0.00 0.00 179.01 179.86 3ek1 h GLU 401 N 0.23 0.44 -0.41 1.92 4.81 -1.85 -1.78 114.58 117.93 3ek1 h GLU 401 Ca 0.24 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3ek1 h GLU 401 Cb 0.31 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3ek1 h GLU 401 CO -0.31 0.45 -0.00 -0.24 -0.73 0.00 0.00 179.01 178.17 3ek1 h VAL 402 N 0.33 1.22 -0.30 0.32 3.04 -0.82 -0.87 116.25 119.17 3ek1 h VAL 402 Ca 0.10 -0.91 -0.06 0.00 -1.01 0.00 0.00 66.70 64.81 3ek1 h VAL 402 Cb 0.17 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 3ek1 h VAL 402 CO -0.01 0.32 -0.05 0.40 -1.01 0.00 0.00 177.57 177.21 3ek1 h ILE 403 N 0.62 1.28 -0.29 3.17 2.04 -1.04 0.88 117.51 124.17 3ek1 h ILE 403 Ca 0.13 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.96 3ek1 h ILE 403 Cb 0.40 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3ek1 h ILE 403 CO 0.02 0.34 0.01 0.00 0.00 0.00 0.00 178.15 178.52 3ek1 h ALA 404 N 0.80 0.27 -0.49 1.87 0.00 -1.15 -1.33 119.26 119.24 3ek1 h ALA 404 Ca 0.08 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 404 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ek1 h ALA 404 CO 0.03 -0.40 -0.16 1.96 0.00 0.00 0.00 179.25 180.68 3ek1 h GLN 405 N 0.10 0.97 -0.77 0.00 4.20 -0.89 -2.41 115.11 116.31 3ek1 h GLN 405 Ca 0.14 -0.39 0.10 0.00 0.06 0.00 0.00 58.65 58.56 3ek1 h GLN 405 Cb 0.18 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 3ek1 h GLN 405 CO -0.22 1.06 0.41 0.00 -0.67 0.00 0.00 178.83 179.41 3ek1 h ALA 406 N 0.88 1.09 -0.00 3.87 0.00 -0.56 -2.33 119.26 122.20 3ek1 h ALA 406 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 406 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ek1 h ALA 406 CO 0.06 0.02 -0.12 0.09 0.00 0.00 0.00 179.25 179.30 3ek1 n ASN 407 N -4.81 0.34 -3.77 0.00 3.02 -0.52 -4.60 115.26 104.91 3ek1 n ASN 407 Ca 0.13 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.93 3ek1 n ASN 407 Cb 0.28 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3ek1 n ASN 407 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ek1 n ASP 408 N -1.14 4.33 -3.50 6.41 2.03 -0.88 -4.80 116.55 119.01 3ek1 n ASP 408 Ca 0.12 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.35 3ek1 n ASP 408 Cb 0.29 -1.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.05 3ek1 n ASP 408 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ek1 s THR 409 N 2.19 0.00 -0.91 5.18 -1.32 -1.26 -4.99 115.64 114.52 3ek1 s THR 409 Ca 0.44 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.15 3ek1 s THR 409 Cb 0.13 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.32 3ek1 s THR 409 CO -0.06 0.00 1.72 2.30 -2.21 0.00 0.00 174.62 176.38 3ek1 n ILE 410 N 0.50 0.52 -3.32 5.08 -5.35 -1.26 -4.89 119.36 110.63 3ek1 n ILE 410 Ca -0.17 0.08 -0.21 0.00 -0.27 0.00 0.00 62.75 62.18 3ek1 n ILE 410 Cb 0.59 -0.76 0.01 0.00 -1.74 0.00 0.00 39.64 37.75 3ek1 n ILE 410 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ek1 s PHE 411 N -3.05 2.11 -0.31 4.28 0.08 -1.26 -1.17 117.98 118.66 3ek1 s PHE 411 Ca 0.10 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.54 3ek1 s PHE 411 Cb 0.14 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 3ek1 s PHE 411 CO 0.43 -0.59 1.02 0.41 -0.10 0.00 0.00 175.22 176.39 3ek1 n GLY 412 N -1.89 -0.95 0.00 4.36 0.00 -1.24 -4.78 105.19 100.69 3ek1 n GLY 412 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ek1 n GLY 412 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ek1 n LEU 413 N -0.50 0.50 -4.53 0.99 7.94 -1.26 -1.31 117.00 118.82 3ek1 n LEU 413 Ca -0.30 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.30 3ek1 n LEU 413 Cb 0.63 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.47 3ek1 n LEU 413 CO -0.12 0.00 -0.45 0.00 -1.11 0.00 0.00 177.39 175.71 3ek1 s ALA 414 N -4.09 2.82 0.06 1.96 0.00 -1.26 -0.81 121.76 120.44 3ek1 s ALA 414 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3ek1 s ALA 414 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3ek1 s ALA 414 CO 0.00 0.61 0.05 0.00 0.00 0.00 0.00 175.76 176.42 3ek1 s ALA 415 N -1.10 0.22 0.02 0.00 0.00 -0.42 -4.08 121.76 116.40 3ek1 s ALA 415 Ca 0.18 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3ek1 s ALA 415 Cb -0.11 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3ek1 s ALA 415 CO 0.10 -0.40 -0.04 0.71 0.00 0.00 0.00 175.76 176.13 3ek1 s TYR 416 N -3.71 0.32 -0.02 0.00 2.02 -0.15 -0.27 117.35 115.53 3ek1 s TYR 416 Ca 0.05 -0.42 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 3ek1 s TYR 416 Cb 0.06 -0.21 0.03 0.00 -0.40 0.00 0.00 41.96 41.44 3ek1 s TYR 416 CO -0.10 -0.13 0.38 -0.59 -1.57 0.00 0.00 175.55 173.54 3ek1 s PHE 417 N -1.14 -0.27 -0.14 2.71 -0.12 -0.14 -0.32 117.98 118.56 3ek1 s PHE 417 Ca -0.11 0.44 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 3ek1 s PHE 417 Cb -0.08 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 3ek1 s PHE 417 CO -0.01 -0.43 -0.19 0.71 -0.05 0.00 0.00 175.22 175.26 3ek1 s TYR 418 N -1.26 2.70 -0.14 3.49 2.02 0.68 -0.30 117.35 124.54 3ek1 s TYR 418 Ca -0.13 -1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 55.19 3ek1 s TYR 418 Cb -0.04 -1.82 0.09 0.00 -0.40 0.00 0.00 41.96 39.79 3ek1 s TYR 418 CO 0.05 -0.48 0.82 -0.08 -1.57 0.00 0.00 175.55 174.30 3ek1 s THR 419 N 0.66 0.00 -1.89 -0.71 -1.32 -1.26 -2.07 115.64 109.04 3ek1 s THR 419 Ca -0.09 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.63 3ek1 s THR 419 Cb -0.16 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.93 3ek1 s THR 419 CO 0.02 0.00 1.28 -0.62 -2.21 0.00 0.00 174.62 173.09 3ek1 n GLU 420 N 1.29 1.02 -2.97 7.08 -0.58 -1.11 -4.87 120.64 120.51 3ek1 n GLU 420 Ca -0.15 -0.76 -0.41 0.00 -0.42 0.00 0.00 57.16 55.42 3ek1 n GLU 420 Cb 0.57 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 3ek1 n GLU 420 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ek1 s ASN 421 N -2.50 6.94 0.09 1.62 3.84 -1.26 -4.97 114.94 118.70 3ek1 s ASN 421 Ca 0.21 1.15 -0.31 0.00 0.21 0.00 0.00 52.86 54.11 3ek1 s ASN 421 Cb 0.18 -2.43 -0.15 0.00 -0.55 0.00 0.00 41.25 38.31 3ek1 s ASN 421 CO 0.56 -0.27 1.63 0.15 -2.79 0.00 0.00 177.10 176.38 3ek1 h PHE 422 N 7.12 -0.83 -0.69 0.43 3.57 -2.00 -1.83 116.94 122.70 3ek1 h PHE 422 Ca -0.35 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.27 3ek1 h PHE 422 Cb 1.16 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 40.13 3ek1 h PHE 422 CO 0.69 -0.47 0.27 0.77 -2.23 0.00 0.00 178.31 177.34 3ek1 h SER 423 N -0.74 0.27 0.55 0.41 0.02 -2.00 -1.39 113.55 110.66 3ek1 h SER 423 Ca -0.04 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3ek1 h SER 423 Cb 0.63 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3ek1 h SER 423 CO 0.02 0.13 -0.52 -0.09 -1.14 0.00 0.00 176.83 175.23 3ek1 h ARG 424 N 0.44 0.00 -0.34 3.45 2.43 -1.93 -1.71 114.38 116.73 3ek1 h ARG 424 Ca 0.36 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.58 3ek1 h ARG 424 Cb 0.49 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 3ek1 h ARG 424 CO -0.35 0.52 0.06 0.00 -1.51 0.00 0.00 179.97 178.68 3ek1 h ALA 425 N 1.48 0.35 0.49 2.80 0.00 -0.40 -0.84 119.26 123.14 3ek1 h ALA 425 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 425 Cb 0.93 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ek1 h ALA 425 CO 0.07 -0.35 -0.25 0.82 0.00 0.00 0.00 179.25 179.53 3ek1 h ILE 426 N 0.17 0.48 0.07 0.00 1.08 -1.10 -1.51 117.51 116.69 3ek1 h ILE 426 Ca 0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 3ek1 h ILE 426 Cb 0.19 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3ek1 h ILE 426 CO -0.22 0.00 -0.08 0.03 -0.69 0.00 0.00 178.15 177.19 3ek1 h ARG 427 N -0.68 -0.17 -0.19 2.37 3.08 -1.13 -1.91 114.38 115.74 3ek1 h ARG 427 Ca -0.06 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3ek1 h ARG 427 Cb 0.54 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ek1 h ARG 427 CO 0.09 -0.11 -0.34 0.28 -1.07 0.00 0.00 179.97 178.82 3ek1 h VAL 428 N -0.18 1.33 -0.98 2.04 2.07 -1.23 -0.08 116.25 119.23 3ek1 h VAL 428 Ca 0.01 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.01 3ek1 h VAL 428 Cb 0.18 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 3ek1 h VAL 428 CO -0.04 0.48 0.63 0.77 0.02 0.00 0.00 177.57 179.44 3ek1 h SER 429 N 0.24 1.05 0.06 0.57 4.64 -1.23 -1.79 113.55 117.09 3ek1 h SER 429 Ca 0.01 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.10 3ek1 h SER 429 Cb 0.93 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3ek1 h SER 429 CO 0.08 0.71 -0.88 -0.33 -0.87 0.00 0.00 176.83 175.53 3ek1 h GLU 430 N 1.21 0.63 0.00 4.77 5.08 -1.24 -3.26 114.58 121.77 3ek1 h GLU 430 Ca 0.40 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3ek1 h GLU 430 Cb 0.04 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ek1 h GLU 430 CO -0.13 1.20 -0.16 0.00 -1.00 0.00 0.00 179.01 178.92 3ek1 h ALA 431 N 0.61 1.01 -2.29 3.43 0.00 -0.76 -3.44 119.26 117.82 3ek1 h ALA 431 Ca -0.08 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 3ek1 h ALA 431 Cb 1.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3ek1 h ALA 431 CO 0.17 0.20 0.84 -0.51 0.00 0.00 0.00 179.25 179.95 3ek1 s LEU 432 N -6.60 4.27 -1.31 0.00 1.43 -0.69 -4.91 118.68 110.86 3ek1 s LEU 432 Ca 0.01 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 3ek1 s LEU 432 Cb 0.10 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.90 3ek1 s LEU 432 CO 0.62 -0.72 1.90 -0.62 0.23 0.00 0.00 176.35 177.76 3ek1 n GLU 433 N 5.84 3.40 -3.91 1.70 1.02 -1.26 -4.88 120.64 122.55 3ek1 n GLU 433 Ca 0.13 -3.35 -0.10 0.00 -0.02 0.00 0.00 57.16 53.82 3ek1 n GLU 433 Cb 0.45 -3.05 -0.10 0.00 -0.02 0.00 0.00 31.44 28.72 3ek1 n GLU 433 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ek1 s TYR 434 N 1.32 0.11 -0.12 -0.32 2.02 -1.26 -4.43 117.35 114.66 3ek1 s TYR 434 Ca 0.42 -0.25 0.24 0.00 -0.37 0.00 0.00 57.07 57.11 3ek1 s TYR 434 Cb 0.09 -0.09 0.64 0.00 -0.40 0.00 0.00 41.96 42.20 3ek1 s TYR 434 CO -0.01 -0.25 1.71 0.78 -1.57 0.00 0.00 175.55 176.21 3ek1 h GLY 435 N 4.45 0.00 -5.84 0.71 0.00 0.37 -3.45 103.07 99.31 3ek1 h GLY 435 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.80 3ek1 h GLY 435 CO 0.41 0.00 -0.60 1.06 0.00 0.00 0.00 176.54 177.41 3ek1 s MET 436 N -3.37 0.11 -0.09 4.80 -1.94 -0.59 -4.77 119.30 113.46 3ek1 s MET 436 Ca 0.03 0.25 -0.00 0.00 -1.71 0.00 0.00 55.69 54.26 3ek1 s MET 436 Cb 0.08 -0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.89 3ek1 s MET 436 CO 0.65 -0.08 -0.05 0.08 -0.01 0.00 0.00 175.02 175.61 3ek1 s VAL 437 N 0.56 0.77 -0.19 -6.03 1.01 -1.26 -1.30 120.40 113.97 3ek1 s VAL 437 Ca -0.04 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 3ek1 s VAL 437 Cb -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3ek1 s VAL 437 CO -0.02 0.32 0.53 -0.83 0.00 0.00 0.00 175.10 175.10 3ek1 s GLY 438 N 1.68 2.11 -0.27 4.51 0.00 0.62 -4.98 107.32 111.00 3ek1 s GLY 438 Ca 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 3ek1 s GLY 438 CO -0.06 1.08 -0.00 -1.58 0.00 0.00 0.00 173.10 172.54 3ek1 s HIS 439 N 1.55 3.11 -1.56 1.90 2.46 -1.26 -0.97 115.29 120.52 3ek1 s HIS 439 Ca 0.25 -1.36 0.00 0.00 0.47 0.00 0.00 55.06 54.42 3ek1 s HIS 439 Cb -0.15 -2.13 0.00 0.00 -0.13 0.00 0.00 32.58 30.16 3ek1 s HIS 439 CO 0.10 -0.68 0.00 0.09 -2.47 0.00 0.00 174.74 171.78 3ek1 n ASN 440 N 4.74 -4.77 -3.73 9.88 3.02 0.59 -4.97 115.26 120.01 3ek1 n ASN 440 Ca -0.15 0.35 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 3ek1 n ASN 440 Cb 0.47 -3.60 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 3ek1 n ASN 440 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ek1 s THR 441 N -2.56 0.01 -2.33 3.41 -1.32 -1.26 -4.97 115.64 106.62 3ek1 s THR 441 Ca 0.00 -0.04 0.21 0.00 -1.21 0.00 0.00 61.69 60.65 3ek1 s THR 441 Cb 0.00 -0.59 0.44 0.00 -1.51 0.00 0.00 72.50 70.84 3ek1 s THR 441 CO 0.00 -0.02 1.50 0.61 -2.21 0.00 0.00 174.62 174.49 3ek1 n GLY 442 N 2.67 0.66 2.80 6.08 0.00 -1.26 -4.61 105.19 111.53 3ek1 n GLY 442 Ca -0.14 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3ek1 n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 443 N -1.54 1.84 0.00 0.99 1.43 -1.26 -4.17 118.68 115.96 3ek1 s LEU 443 Ca 0.33 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3ek1 s LEU 443 Cb 0.19 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3ek1 s LEU 443 CO 0.27 -0.31 0.45 2.30 0.23 0.00 0.00 176.35 179.30 3ek1 n ILE 444 N 4.89 0.00 -2.48 -0.59 -5.35 -1.26 -5.02 119.36 109.55 3ek1 n ILE 444 Ca -0.08 -0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 3ek1 n ILE 444 Cb 0.45 1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 3ek1 n ILE 444 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ek1 s SER 445 N -1.42 7.08 0.20 7.28 0.01 -1.26 -4.99 113.70 120.59 3ek1 s SER 445 Ca 0.05 1.80 -0.08 0.00 1.31 0.00 0.00 55.95 59.03 3ek1 s SER 445 Cb 0.06 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.76 3ek1 s SER 445 CO 0.25 -0.55 0.43 -0.46 0.41 0.00 0.00 173.24 173.32 3ek1 n ASN 446 N 5.02 -1.19 0.01 2.44 0.23 -1.26 -5.06 115.26 115.45 3ek1 n ASN 446 Ca 0.10 -1.81 0.11 0.00 -0.53 0.00 0.00 54.58 52.46 3ek1 n ASN 446 Cb 0.47 1.97 -0.02 0.00 -2.08 0.00 0.00 39.78 40.12 3ek1 n ASN 446 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3ek1 n GLU 447 N -0.29 0.17 0.00 -3.83 0.00 -1.26 -4.56 120.64 110.86 3ek1 n GLU 447 Ca -0.04 -0.02 0.11 0.00 0.00 0.00 0.00 57.16 57.20 3ek1 n GLU 447 Cb 0.31 -1.53 0.01 0.00 0.00 0.00 0.00 31.44 30.23 3ek1 n GLU 447 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3ek1 n VAL 448 N -1.73 0.00 -4.66 3.84 0.24 -1.26 -0.62 118.33 114.13 3ek1 n VAL 448 Ca 0.03 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 3ek1 n VAL 448 Cb 0.39 0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 3ek1 n VAL 448 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 s ALA 449 N -2.92 2.76 0.04 2.33 0.00 -1.26 -4.06 121.76 118.65 3ek1 s ALA 449 Ca 0.11 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 3ek1 s ALA 449 Cb 0.17 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3ek1 s ALA 449 CO 0.78 0.58 1.18 -1.25 0.00 0.00 0.00 175.76 177.05 3ek1 s PRO 450 N -1.21 4.43 -0.14 0.00 0.04 -1.26 -4.00 135.00 132.87 3ek1 s PRO 450 Ca 0.14 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 3ek1 s PRO 450 Cb -0.11 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 3ek1 s PRO 450 CO 0.05 -0.26 -0.08 -0.06 0.04 0.00 0.00 177.00 176.69 3ek1 s PHE 451 N 1.19 2.93 -4.85 0.56 0.08 0.59 -4.88 117.98 113.60 3ek1 s PHE 451 Ca 0.58 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3ek1 s PHE 451 Cb -0.28 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3ek1 s PHE 451 CO 0.28 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.73 3ek1 n GLY 452 N 3.45 -2.62 3.60 4.36 0.00 -1.26 -0.13 105.19 112.58 3ek1 n GLY 452 Ca -0.18 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 3ek1 n GLY 452 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ek1 s GLY 453 N 0.00 1.94 0.41 -0.02 0.00 -1.26 -4.00 107.32 104.39 3ek1 s GLY 453 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 44.72 42.92 3ek1 s GLY 453 CO 0.00 -1.88 0.29 -1.34 0.00 0.00 0.00 173.10 170.18 3ek1 s VAL 454 N -2.47 2.57 0.00 1.40 -7.23 -0.46 -4.27 120.40 109.94 3ek1 s VAL 454 Ca 0.33 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3ek1 s VAL 454 Cb -0.02 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3ek1 s VAL 454 CO 0.19 -0.01 0.00 0.29 -0.31 0.00 0.00 175.10 175.25 3ek1 n LYS 455 N -1.41 0.00 -0.21 4.82 5.02 -1.26 -1.52 118.16 123.61 3ek1 n LYS 455 Ca 0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 3ek1 n LYS 455 Cb 0.63 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.80 3ek1 n LYS 455 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ek1 n GLN 456 N 14.00 1.93 0.00 1.97 6.02 -0.32 -3.93 117.38 137.06 3ek1 n GLN 456 Ca 0.00 -1.30 0.14 0.00 -0.01 0.00 0.00 57.00 55.83 3ek1 n GLN 456 Cb 0.00 -1.34 0.51 0.00 1.02 0.00 0.00 30.24 30.43 3ek1 n GLN 456 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ek1 n SER 457 N 0.51 0.50 0.00 1.08 7.64 -0.57 -4.52 113.62 118.26 3ek1 n SER 457 Ca 0.12 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3ek1 n SER 457 Cb 0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3ek1 n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ek1 n GLY 458 N 1.36 0.57 2.86 0.23 0.00 -1.25 -0.65 105.19 108.30 3ek1 n GLY 458 Ca 0.11 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 3ek1 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 459 N 0.00 1.76 0.00 0.99 1.43 -0.22 -4.54 118.68 118.10 3ek1 s LEU 459 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3ek1 s LEU 459 Cb 0.00 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.15 3ek1 s LEU 459 CO 0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3ek1 n GLY 460 N 3.35 -1.45 3.22 -3.19 0.00 -1.26 -1.40 105.19 104.46 3ek1 n GLY 460 Ca -0.16 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 3ek1 n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 461 N -1.74 0.94 0.23 1.61 1.81 -1.26 -4.43 118.95 116.11 3ek1 s ARG 461 Ca 0.00 -1.07 0.10 0.00 -1.72 0.00 0.00 55.73 53.04 3ek1 s ARG 461 Cb 0.00 -0.99 -0.04 0.00 -0.45 0.00 0.00 34.95 33.47 3ek1 s ARG 461 CO 0.00 0.22 -0.11 -1.21 -0.68 0.00 0.00 175.30 173.52 3ek1 s GLU 462 N -1.98 1.97 0.20 3.54 2.02 0.81 -4.41 118.70 120.85 3ek1 s GLU 462 Ca 0.02 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.56 3ek1 s GLU 462 Cb -0.09 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3ek1 s GLU 462 CO 0.03 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.11 3ek1 n GLY 463 N -0.34 -1.84 0.65 -1.39 0.00 -1.26 -0.30 105.19 100.70 3ek1 n GLY 463 Ca -0.08 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.70 3ek1 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 464 N -2.96 -3.88 0.29 1.61 3.41 0.21 -1.90 113.62 110.39 3ek1 n SER 464 Ca -0.00 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 3ek1 n SER 464 Cb 0.35 -2.06 0.46 0.00 -0.26 0.00 0.00 64.21 62.70 3ek1 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ek1 h LYS 465 N -0.62 0.00 0.00 4.33 2.10 -1.89 -2.64 116.57 117.85 3ek1 h LYS 465 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3ek1 h LYS 465 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3ek1 h LYS 465 CO 0.02 0.00 -1.07 0.66 -2.00 0.00 0.00 179.45 177.06 3ek1 n TYR 466 N -2.54 0.07 -0.09 0.07 4.01 -1.25 -4.59 117.16 112.84 3ek1 n TYR 466 Ca -0.01 0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3ek1 n TYR 466 Cb 0.56 -0.21 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 3ek1 n TYR 466 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ek1 h GLY 467 N 4.75 0.56 2.00 2.72 0.00 -0.99 -3.20 103.07 108.91 3ek1 h GLY 467 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3ek1 h GLY 467 CO 0.00 0.44 -0.12 1.19 0.00 0.00 0.00 176.54 178.06 3ek1 h ILE 468 N 0.24 0.64 0.00 2.60 2.10 -1.81 -2.68 117.51 118.60 3ek1 h ILE 468 Ca 0.06 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3ek1 h ILE 468 Cb 0.59 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3ek1 h ILE 468 CO 0.03 0.11 0.00 1.05 -1.08 0.00 0.00 178.15 178.27 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.86 -0.66 114.58 118.36 3ek1 h GLU 469 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ek1 h GLU 469 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ek1 h GLU 469 CO 0.02 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.03 3ek1 h GLU 470 N 0.00 0.00 -0.16 1.06 4.39 -1.65 -2.47 114.58 115.75 3ek1 h GLU 470 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ek1 h GLU 470 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3ek1 h GLU 470 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3ek1 n TYR 471 N -2.98 0.29 -4.38 4.33 4.01 -0.26 -5.00 117.16 113.17 3ek1 n TYR 471 Ca -0.01 -0.61 -0.28 0.00 -0.16 0.00 0.00 57.90 56.85 3ek1 n TYR 471 Cb 0.20 -0.09 -0.12 0.00 -0.31 0.00 0.00 39.34 39.02 3ek1 n TYR 471 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ek1 s LEU 472 N -1.45 2.52 -0.10 7.72 1.43 -0.93 -1.49 118.68 126.38 3ek1 s LEU 472 Ca 0.18 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3ek1 s LEU 472 Cb 0.12 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3ek1 s LEU 472 CO 0.07 0.14 -0.03 -1.61 0.23 0.00 0.00 176.35 175.15 3ek1 s GLU 473 N -2.50 3.06 0.03 1.70 0.41 0.10 -4.73 118.70 116.77 3ek1 s GLU 473 Ca 0.20 -0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 53.99 3ek1 s GLU 473 Cb -0.09 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.46 3ek1 s GLU 473 CO 0.10 0.59 0.93 0.99 -0.49 0.00 0.00 175.26 177.38 3ek1 s THR 474 N -0.59 4.77 -0.09 3.63 2.01 -1.26 -1.48 115.64 122.62 3ek1 s THR 474 Ca 0.09 1.97 0.03 0.00 0.31 0.00 0.00 61.69 64.09 3ek1 s THR 474 Cb -0.12 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.12 3ek1 s THR 474 CO 0.02 0.23 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.27 3ek1 s LYS 475 N 0.60 2.21 -0.23 4.92 2.20 0.41 -5.01 119.74 124.85 3ek1 s LYS 475 Ca 0.48 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 55.41 3ek1 s LYS 475 Cb -0.21 -1.78 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 3ek1 s LYS 475 CO 0.27 0.05 0.15 -0.47 -0.36 0.00 0.00 175.35 174.99 3ek1 s TYR 476 N 0.65 3.31 -0.20 4.03 5.04 -1.26 -1.66 117.35 127.26 3ek1 s TYR 476 Ca -0.14 0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 3ek1 s TYR 476 Cb -0.16 -2.25 0.00 0.00 0.35 0.00 0.00 41.96 39.90 3ek1 s TYR 476 CO 0.04 0.07 -0.11 0.42 -1.34 0.00 0.00 175.55 174.63 3ek1 s ILE 477 N 1.00 2.83 -0.31 3.14 1.01 0.63 -5.01 121.20 124.49 3ek1 s ILE 477 Ca 0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3ek1 s ILE 477 Cb -0.13 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.12 3ek1 s ILE 477 CO 0.04 0.48 0.08 0.00 0.00 0.00 0.00 174.94 175.53 3ek1 s SER 479 N 1.42 3.46 0.03 0.00 0.01 -0.38 -4.98 113.70 113.25 3ek1 s SER 479 Ca -0.00 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 3ek1 s SER 479 Cb -0.18 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 3ek1 s SER 479 CO 0.02 0.20 0.19 0.00 0.41 0.00 0.00 173.24 174.06 3ek1 s ALA 480 N 0.10 3.97 0.05 1.44 0.00 -1.26 -1.23 121.76 124.84 3ek1 s ALA 480 Ca -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3ek1 s ALA 480 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 3ek1 s ALA 480 CO 0.06 0.79 0.00 1.52 0.00 0.00 0.00 175.76 178.13 3ek1 s TYR 481 N -1.41 0.45 -0.40 0.00 -0.85 0.14 -4.98 117.35 110.30 3ek1 s TYR 481 Ca 0.31 -0.96 -0.26 0.00 -0.52 0.00 0.00 57.07 55.65 3ek1 s TYR 481 Cb -0.13 -0.33 0.02 0.00 0.38 0.00 0.00 41.96 41.90 3ek1 s TYR 481 CO 0.23 -0.39 0.93 -1.59 -1.52 0.00 0.00 175.55 173.20 3ek1 s LYS 482 N -3.75 3.74 0.00 -3.49 0.00 -1.26 -4.77 119.74 110.21 3ek1 s LYS 482 Ca 0.05 0.44 0.18 0.00 0.00 0.00 0.00 55.97 56.65 3ek1 s LYS 482 Cb 0.06 -3.84 1.09 0.00 0.00 0.00 0.00 37.83 35.14 3ek1 s LYS 482 CO -0.10 -1.04 1.49 0.54 0.00 0.00 0.00 175.35 176.24