#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey s SER 2 N 0.00 5.69 -0.23 1.61 1.04 -1.26 -4.78 113.70 115.78 1uey s SER 2 Ca 0.00 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.44 1uey s SER 2 Cb 0.00 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.13 1uey s SER 2 CO 0.00 -0.35 0.17 -1.20 0.98 0.00 0.00 173.24 172.84 1uey n SER 3 N 4.99 -2.98 0.00 7.02 7.64 -1.26 -5.04 113.62 123.99 1uey n SER 3 Ca -0.12 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1uey n SER 3 Cb 0.47 -5.29 0.00 0.00 -1.01 0.00 0.00 64.21 58.37 1uey n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uey n GLY 4 N 1.38 4.13 3.97 0.23 0.00 -1.26 -5.13 105.19 108.51 1uey n GLY 4 Ca -0.28 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 1uey n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uey s SER 5 N 0.00 6.23 0.09 1.61 1.04 -1.26 -5.02 113.70 116.39 1uey s SER 5 Ca 0.00 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.53 1uey s SER 5 Cb 0.00 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 1uey s SER 5 CO 0.00 -0.19 -0.12 -0.55 0.98 0.00 0.00 173.24 173.37 1uey s SER 6 N -4.03 1.55 0.00 7.02 0.15 -1.26 -5.12 113.70 112.01 1uey s SER 6 Ca 0.37 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1uey s SER 6 Cb -0.09 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1uey s SER 6 CO 0.30 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1uey n GLY 7 N 0.81 -0.51 3.55 9.45 0.00 -1.26 -5.06 105.19 112.17 1uey n GLY 7 Ca -0.18 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1uey n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 8 N -1.80 2.99 -0.37 1.61 0.04 -1.26 -4.87 135.00 131.33 1uey s PRO 8 Ca 0.00 -0.19 0.02 0.00 0.04 0.00 0.00 61.00 60.87 1uey s PRO 8 Cb 0.00 -4.66 0.15 0.00 0.04 0.00 0.00 34.50 30.03 1uey s PRO 8 CO 0.00 -2.57 0.30 0.95 0.04 0.00 0.00 177.00 175.72 1uey s THR 9 N 7.40 -0.08 -0.85 1.26 -4.23 -1.26 -5.08 115.64 112.80 1uey s THR 9 Ca 0.53 -1.44 -0.25 0.00 -1.18 0.00 0.00 61.69 59.36 1uey s THR 9 Cb -0.07 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1uey s THR 9 CO 0.08 -0.81 1.64 -2.16 -0.54 0.00 0.00 174.62 172.83 1uey s PRO 10 N 1.15 3.01 -0.21 3.99 0.04 -1.26 -4.90 135.00 136.82 1uey s PRO 10 Ca 0.19 -0.35 -0.19 0.00 0.04 0.00 0.00 61.00 60.69 1uey s PRO 10 Cb -0.17 -4.83 0.06 0.00 0.04 0.00 0.00 34.50 29.59 1uey s PRO 10 CO -0.02 -2.64 0.56 0.00 0.04 0.00 0.00 177.00 174.94 1uey s ALA 11 N 7.44 -1.40 0.91 8.56 0.00 -1.26 -5.17 121.76 130.84 1uey s ALA 11 Ca 0.55 1.63 -0.12 0.00 0.00 0.00 0.00 51.96 54.02 1uey s ALA 11 Cb -0.06 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 22.24 1uey s ALA 11 CO 0.04 -0.27 1.14 -1.25 0.00 0.00 0.00 175.76 175.42 1uey s PRO 12 N 0.46 1.13 -0.40 0.00 0.04 -1.26 -5.05 135.00 129.91 1uey s PRO 12 Ca -0.01 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.33 1uey s PRO 12 Cb -0.04 -1.84 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1uey s PRO 12 CO -0.01 -2.21 0.27 0.54 0.04 0.00 0.00 177.00 175.63 1uey s VAL 13 N -3.28 0.57 0.97 -0.36 0.11 -1.26 -5.13 120.40 112.03 1uey s VAL 13 Ca 0.64 -2.28 -0.16 0.00 -2.93 0.00 0.00 61.98 57.25 1uey s VAL 13 Cb -0.15 -1.41 0.23 0.00 -1.53 0.00 0.00 36.38 33.53 1uey s VAL 13 CO 0.53 -1.05 1.05 -1.22 -3.33 0.00 0.00 175.10 171.08 1uey n TYR 14 N 3.49 -3.88 0.00 1.54 4.01 -1.26 -4.76 117.16 116.30 1uey n TYR 14 Ca 0.17 -0.94 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 1uey n TYR 14 Cb 0.40 -0.95 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1uey n ASP 15 N -4.23 0.00 -0.99 7.72 8.00 -1.26 -5.06 116.55 120.73 1uey n ASP 15 Ca 0.14 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.73 1uey n ASP 15 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1uey n ASP 15 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uey n VAL 16 N 0.00 -0.41 -2.42 2.53 0.24 -1.26 -4.60 118.33 112.41 1uey n VAL 16 Ca 0.00 0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 62.33 1uey n VAL 16 Cb 0.00 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 1uey n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1uey s PRO 17 N -4.41 4.27 1.01 7.34 0.04 -1.25 -4.52 135.00 137.48 1uey s PRO 17 Ca 0.00 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1uey s PRO 17 Cb 0.00 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 1uey s PRO 17 CO 0.00 -0.63 -0.48 0.09 0.04 0.00 0.00 177.00 176.02 1uey n ASN 18 N 6.15 -3.51 -4.80 6.66 5.03 -0.93 -4.44 115.26 119.44 1uey n ASN 18 Ca 0.13 0.11 -0.34 0.00 0.87 0.00 0.00 54.58 55.35 1uey n ASN 18 Cb 0.45 -0.86 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 1uey n ASN 18 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1uey s PRO 19 N -2.75 3.83 0.88 3.52 0.04 -1.26 -4.46 135.00 134.80 1uey s PRO 19 Ca 0.47 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1uey s PRO 19 Cb -0.11 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1uey s PRO 19 CO 0.71 -0.41 1.13 -1.25 0.04 0.00 0.00 177.00 177.22 1uey s PRO 20 N -3.16 1.37 0.30 0.56 0.04 -1.26 -4.07 135.00 128.78 1uey s PRO 20 Ca 0.66 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 1uey s PRO 20 Cb -0.17 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1uey s PRO 20 CO 0.21 -2.05 0.52 -0.59 0.04 0.00 0.00 177.00 175.12 1uey s PHE 21 N -3.25 0.60 -1.46 0.56 -0.12 -0.49 -4.45 117.98 109.38 1uey s PHE 21 Ca 0.63 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1uey s PHE 21 Cb -0.15 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1uey s PHE 21 CO 0.53 -1.13 0.00 -3.47 -0.05 0.00 0.00 175.22 171.10 1uey n ASP 22 N -0.93 -4.65 -4.56 1.98 2.03 -1.26 -2.76 116.55 106.40 1uey n ASP 22 Ca -0.02 0.31 -0.44 0.00 0.52 0.00 0.00 54.79 55.16 1uey n ASP 22 Cb 0.61 -3.43 -0.01 0.00 -0.72 0.00 0.00 41.12 37.58 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uey n LEU 23 N -1.64 1.49 -4.03 -2.67 4.32 -1.26 -4.82 117.00 108.39 1uey n LEU 23 Ca -0.14 1.13 -0.10 0.00 -0.02 0.00 0.00 56.01 56.88 1uey n LEU 23 Cb 0.48 -1.25 -0.07 0.00 -1.62 0.00 0.00 43.42 40.95 1uey n LEU 23 CO 0.21 -1.68 -0.03 -1.61 -1.22 0.00 0.00 177.39 173.06 1uey s GLU 24 N -1.58 1.26 -0.25 3.23 2.02 -0.42 -4.86 118.70 118.11 1uey s GLU 24 Ca 0.60 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.24 1uey s GLU 24 Cb -0.69 0.37 0.09 0.00 0.10 0.00 0.00 34.13 34.00 1uey s GLU 24 CO 0.59 -0.47 0.11 -0.51 0.02 0.00 0.00 175.26 175.00 1uey s LEU 25 N -3.03 0.75 -0.06 1.80 1.43 -1.26 -2.28 118.68 116.03 1uey s LEU 25 Ca 0.24 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1uey s LEU 25 Cb 0.03 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.87 1uey s LEU 25 CO 0.05 -0.40 0.14 0.42 0.23 0.00 0.00 176.35 176.79 1uey s THR 26 N 2.03 -0.01 0.00 5.49 -4.23 -1.13 -5.02 115.64 112.76 1uey s THR 26 Ca 0.06 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1uey s THR 26 Cb -0.16 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1uey s THR 26 CO -0.25 0.02 0.00 -0.90 -0.54 0.00 0.00 174.62 172.95 1uey n ASP 27 N 3.36 0.00 0.00 3.99 5.75 -1.26 -3.58 116.55 124.80 1uey n ASP 27 Ca -0.16 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 1uey n ASP 27 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1uey n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uey n GLN 28 N 0.00 0.00 -3.31 0.11 10.64 -1.26 -5.03 117.38 118.52 1uey n GLN 28 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 1uey n GLN 28 Cb 0.00 -0.33 -0.07 0.00 -0.86 0.00 0.00 30.24 28.98 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1uey s LEU 29 N -4.74 4.15 -0.83 2.61 0.20 -1.26 -5.00 118.68 113.81 1uey s LEU 29 Ca 0.00 0.60 -0.25 0.00 0.69 0.00 0.00 54.13 55.17 1uey s LEU 29 Cb 0.00 -2.62 -0.00 0.00 -0.43 0.00 0.00 46.19 43.14 1uey s LEU 29 CO 0.00 -0.13 1.67 -1.81 -0.29 0.00 0.00 176.35 175.79 1uey s ASP 30 N 1.11 5.71 0.00 3.68 1.01 -1.26 -3.28 116.67 123.64 1uey s ASP 30 Ca 0.22 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1uey s ASP 30 Cb -0.15 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1uey s ASP 30 CO 0.09 -2.17 0.00 1.17 0.21 0.00 0.00 175.17 174.47 1uey n LYS 31 N 9.05 0.00 -3.74 8.23 4.81 -1.26 -5.06 118.16 130.18 1uey n LYS 31 Ca 0.26 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.41 1uey n LYS 31 Cb 0.50 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.41 1uey n LYS 31 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1uey s SER 32 N 0.00 3.81 0.45 3.14 0.01 -1.21 -4.45 113.70 115.45 1uey s SER 32 Ca 0.00 -2.46 -0.22 0.00 1.31 0.00 0.00 55.95 54.59 1uey s SER 32 Cb 0.00 -1.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.07 1uey s SER 32 CO 0.00 -0.30 1.04 0.54 0.41 0.00 0.00 173.24 174.93 1uey s VAL 33 N 0.56 3.79 -0.17 3.43 0.11 -1.03 -4.76 120.40 122.32 1uey s VAL 33 Ca 0.16 1.22 -0.07 0.00 -2.93 0.00 0.00 61.98 60.36 1uey s VAL 33 Cb -0.23 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1uey s VAL 33 CO -0.04 -0.14 0.06 -1.58 -3.33 0.00 0.00 175.10 170.07 1uey s GLN 34 N -2.92 3.88 -0.31 1.54 -0.44 -1.24 0.20 119.66 120.37 1uey s GLN 34 Ca 0.63 -0.34 -0.11 0.00 -2.50 0.00 0.00 55.36 53.04 1uey s GLN 34 Cb -0.18 -3.18 -0.02 0.00 -1.64 0.00 0.00 33.01 27.98 1uey s GLN 34 CO 0.23 0.33 0.19 -1.17 0.50 0.00 0.00 175.29 175.36 1uey s LEU 35 N 0.21 4.19 -0.22 3.68 2.96 0.18 -2.85 118.68 126.83 1uey s LEU 35 Ca 0.04 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 1uey s LEU 35 Cb -0.12 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1uey s LEU 35 CO 0.00 -0.16 0.19 -0.94 -1.32 0.00 0.00 176.35 174.12 1uey s SER 36 N 1.69 6.19 0.19 3.68 1.04 -0.97 -2.61 113.70 122.92 1uey s SER 36 Ca 0.06 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.74 1uey s SER 36 Cb -0.17 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 1uey s SER 36 CO 0.09 0.08 -0.06 -1.66 0.98 0.00 0.00 173.24 172.67 1uey s TRP 37 N 0.89 1.43 -0.22 5.02 -2.14 -1.00 -1.30 118.94 121.62 1uey s TRP 37 Ca 0.09 -0.82 -0.01 0.00 2.66 0.00 0.00 56.10 58.02 1uey s TRP 37 Cb -0.13 -0.77 0.06 0.00 -3.10 0.00 0.00 33.47 29.53 1uey s TRP 37 CO 0.03 0.04 -0.02 0.99 -2.66 0.00 0.00 176.95 175.34 1uey s THR 38 N -3.35 1.09 -0.43 0.66 2.01 -1.11 -4.83 115.64 109.68 1uey s THR 38 Ca 0.22 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1uey s THR 38 Cb 0.04 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1uey s THR 38 CO 0.05 -0.14 1.42 -2.16 -0.69 0.00 0.00 174.62 173.10 1uey s PRO 39 N 1.60 3.53 0.00 4.92 0.04 -1.26 -1.39 135.00 142.44 1uey s PRO 39 Ca -0.04 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1uey s PRO 39 Cb -0.18 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1uey s PRO 39 CO -0.07 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.76 1uey n GLY 40 N 5.11 -3.12 3.63 0.56 0.00 -1.26 -4.90 105.19 105.21 1uey n GLY 40 Ca 0.16 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1uey n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uey n ASP 41 N 0.00 0.18 -0.00 1.61 8.00 -1.26 -4.85 116.55 120.22 1uey n ASP 41 Ca 0.00 0.48 0.07 0.00 0.71 0.00 0.00 54.79 56.04 1uey n ASP 41 Cb 0.00 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.56 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uey n ASP 42 N -3.31 1.60 -3.06 -2.24 8.00 -1.26 -2.19 116.55 114.09 1uey n ASP 42 Ca 0.12 -0.21 -0.07 0.00 0.71 0.00 0.00 54.79 55.34 1uey n ASP 42 Cb 0.52 1.45 0.03 0.00 -0.02 0.00 0.00 41.12 43.10 1uey n ASP 42 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uey n ASN 43 N -1.79 -6.99 0.00 -2.24 5.03 -1.26 -3.20 115.26 104.81 1uey n ASN 43 Ca -0.01 -0.35 0.00 0.00 0.87 0.00 0.00 54.58 55.09 1uey n ASN 43 Cb 0.31 -5.03 0.00 0.00 -1.02 0.00 0.00 39.78 34.04 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -2.39 0.00 -4.64 6.41 3.02 -1.26 -4.15 115.26 112.25 1uey n ASN 44 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 1uey n ASN 44 Cb 0.55 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1uey n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1uey s SER 45 N 0.00 6.66 0.47 6.41 0.01 -1.19 -4.99 113.70 121.06 1uey s SER 45 Ca 0.00 1.56 -0.21 0.00 1.31 0.00 0.00 55.95 58.61 1uey s SER 45 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1uey s SER 45 CO 0.00 -1.03 1.04 -2.16 0.41 0.00 0.00 173.24 171.50 1uey s PRO 46 N 4.13 3.89 0.41 12.44 0.04 -1.26 -4.56 135.00 150.08 1uey s PRO 46 Ca 0.62 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 1uey s PRO 46 Cb -0.22 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 1uey s PRO 46 CO 0.23 -0.36 1.33 0.42 0.04 0.00 0.00 177.00 178.66 1uey s ILE 47 N -1.90 2.50 0.00 0.56 -1.09 -1.26 -4.39 121.20 115.61 1uey s ILE 47 Ca 0.65 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 1uey s ILE 47 Cb -0.18 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1uey s ILE 47 CO 0.22 0.07 0.00 0.35 -1.23 0.00 0.00 174.94 174.35 1uey n THR 48 N 0.12 0.00 -4.07 2.92 -2.24 -0.82 -4.56 114.28 105.63 1uey n THR 48 Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1uey n THR 48 Cb 0.43 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 1uey n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1uey s LYS 49 N -1.73 0.55 -0.26 -0.78 2.20 -0.94 0.15 119.74 118.92 1uey s LYS 49 Ca 0.00 -1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 54.52 1uey s LYS 49 Cb 0.00 0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 1uey s LYS 49 CO 0.00 -0.08 0.08 -0.06 -0.36 0.00 0.00 175.35 174.93 1uey s PHE 50 N -3.23 1.12 0.36 4.03 0.08 0.20 -1.80 117.98 118.73 1uey s PHE 50 Ca 0.01 -1.21 -0.08 0.00 0.12 0.00 0.00 56.93 55.77 1uey s PHE 50 Cb 0.03 -1.27 -0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1uey s PHE 50 CO -0.07 -0.77 0.68 0.42 -0.10 0.00 0.00 175.22 175.38 1uey s ILE 51 N 1.82 4.88 0.13 0.64 1.01 -0.36 0.50 121.20 129.82 1uey s ILE 51 Ca 0.06 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.15 1uey s ILE 51 Cb -0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1uey s ILE 51 CO -0.22 -0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 173.56 1uey s ILE 52 N -2.25 1.10 0.15 2.92 1.09 0.17 0.22 121.20 124.60 1uey s ILE 52 Ca 0.48 -1.96 -0.18 0.00 -1.10 0.00 0.00 60.65 57.89 1uey s ILE 52 Cb -0.10 -1.74 0.04 0.00 -1.06 0.00 0.00 42.46 39.60 1uey s ILE 52 CO 0.30 -0.71 0.47 -1.61 -0.10 0.00 0.00 174.94 173.30 1uey s GLU 53 N -3.54 1.19 0.05 2.79 2.02 0.86 -2.25 118.70 119.81 1uey s GLU 53 Ca 0.14 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 1uey s GLU 53 Cb 0.01 0.51 -0.01 0.00 0.10 0.00 0.00 34.13 34.74 1uey s GLU 53 CO 0.00 -0.49 0.09 1.52 0.02 0.00 0.00 175.26 176.40 1uey s TYR 54 N -3.81 0.23 -0.07 1.61 1.13 -1.19 0.97 117.35 116.24 1uey s TYR 54 Ca 0.04 -0.58 0.05 0.00 -1.41 0.00 0.00 57.07 55.17 1uey s TYR 54 Cb 0.01 -0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1uey s TYR 54 CO -0.10 -0.39 -0.24 -1.83 -2.51 0.00 0.00 175.55 170.48 1uey s GLU 55 N -2.91 2.65 -0.96 -3.49 4.04 -1.23 -1.56 118.70 115.25 1uey s GLU 55 Ca -0.02 -0.88 -0.21 0.00 0.04 0.00 0.00 54.97 53.89 1uey s GLU 55 Cb 0.01 -2.17 0.08 0.00 0.02 0.00 0.00 34.13 32.07 1uey s GLU 55 CO -0.06 0.32 1.29 -0.51 -1.84 0.00 0.00 175.26 174.46 1uey s ASP 56 N -0.01 6.53 0.00 0.83 1.11 -1.23 -2.85 116.67 121.05 1uey s ASP 56 Ca -0.08 -1.63 0.24 0.00 0.18 0.00 0.00 52.55 51.26 1uey s ASP 56 Cb -0.15 -2.49 1.07 0.00 1.07 0.00 0.00 42.92 42.41 1uey s ASP 56 CO 0.05 -1.34 1.78 0.00 1.18 0.00 0.00 175.17 176.84 1uey n ALA 57 N 7.91 2.13 0.09 5.23 0.00 -0.89 -0.59 120.51 134.39 1uey n ALA 57 Ca 0.27 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.64 1uey n ALA 57 Cb 0.50 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1uey n ALA 57 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1uey h MET 58 N 0.00 0.00 0.00 0.00 1.85 -1.83 -3.42 114.93 111.53 1uey h MET 58 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1uey h MET 58 Cb 0.38 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1uey h MET 58 CO 0.00 0.38 0.00 0.72 -0.40 0.00 0.00 176.91 177.61 1uey n HIS 59 N -3.05 0.00 -3.82 1.39 8.25 -1.06 -5.00 115.22 111.93 1uey n HIS 59 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 1uey n HIS 59 Cb 0.77 0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.79 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uey s LYS 60 N -0.46 2.04 -0.02 -0.41 -0.14 0.24 -5.07 119.74 115.93 1uey s LYS 60 Ca 0.00 -2.08 -0.30 0.00 -1.36 0.00 0.00 55.97 52.23 1uey s LYS 60 Cb 0.00 -3.53 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 1uey s LYS 60 CO 0.00 -1.08 1.20 -1.25 -0.76 0.00 0.00 175.35 173.46 1uey s PRO 61 N 0.67 4.38 0.00 -1.68 0.04 -0.61 -2.80 135.00 135.00 1uey s PRO 61 Ca 0.12 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1uey s PRO 61 Cb -0.22 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1uey s PRO 61 CO -0.04 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1uey n GLY 62 N 3.32 3.03 3.56 0.56 0.00 -1.26 -5.00 105.19 109.39 1uey n GLY 62 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1uey n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uey s LEU 63 N 0.00 3.22 0.08 0.99 2.96 -1.12 -4.99 118.68 119.82 1uey s LEU 63 Ca 0.00 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 1uey s LEU 63 Cb 0.00 -2.68 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 1uey s LEU 63 CO 0.00 -1.77 0.55 0.26 -1.32 0.00 0.00 176.35 174.08 1uey s TRP 64 N 5.58 3.76 0.21 5.38 0.52 -1.26 -3.52 118.94 129.61 1uey s TRP 64 Ca 0.37 1.21 0.08 0.00 0.02 0.00 0.00 56.10 57.78 1uey s TRP 64 Cb -0.08 -2.46 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 1uey s TRP 64 CO 0.17 0.56 -0.15 -1.01 0.02 0.00 0.00 176.95 176.54 1uey s HIS 65 N -1.18 1.79 -0.37 -1.98 3.76 -0.60 -4.94 115.29 111.77 1uey s HIS 65 Ca 0.30 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 1uey s HIS 65 Cb -0.18 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.68 1uey s HIS 65 CO 0.19 0.40 1.50 -1.58 -0.85 0.00 0.00 174.74 174.39 1uey s HIS 66 N -2.82 2.28 0.00 1.40 2.46 -1.26 -3.14 115.29 114.20 1uey s HIS 66 Ca 0.23 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.42 1uey s HIS 66 Cb -0.02 -4.21 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 1uey s HIS 66 CO 0.08 -2.24 0.00 0.94 -2.47 0.00 0.00 174.74 171.04 1uey n GLN 67 N 8.05 0.00 -3.56 2.88 -0.06 -0.96 -5.00 117.38 118.73 1uey n GLN 67 Ca 0.18 0.21 -0.06 0.00 -2.00 0.00 0.00 57.00 55.33 1uey n GLN 67 Cb 0.47 -0.65 -0.02 0.00 -4.06 0.00 0.00 30.24 25.98 1uey n GLN 67 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1uey s THR 68 N -0.65 0.00 0.19 1.69 -1.32 -1.22 -5.01 115.64 109.32 1uey s THR 68 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1uey s THR 68 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1uey s THR 68 CO 0.00 0.00 -0.13 -1.83 -2.21 0.00 0.00 174.62 170.45 1uey s GLU 69 N -2.62 1.27 0.20 7.08 4.04 -1.26 0.43 118.70 127.84 1uey s GLU 69 Ca 0.07 -1.56 0.04 0.00 0.04 0.00 0.00 54.97 53.56 1uey s GLU 69 Cb -0.01 -0.98 -0.02 0.00 0.02 0.00 0.00 34.13 33.14 1uey s GLU 69 CO -0.06 0.15 0.15 1.33 -1.84 0.00 0.00 175.26 174.98 1uey n VAL 70 N -0.34 0.00 -1.93 1.83 0.24 0.18 -4.92 118.33 113.38 1uey n VAL 70 Ca -0.08 -1.40 -0.30 0.00 -2.04 0.00 0.00 64.34 60.52 1uey n VAL 70 Cb 0.61 0.66 0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1uey n VAL 70 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1uey s SER 71 N -2.37 5.54 0.00 -1.34 0.01 -1.26 0.59 113.70 114.87 1uey s SER 71 Ca 0.21 1.12 0.18 0.00 1.31 0.00 0.00 55.95 58.76 1uey s SER 71 Cb 0.01 -1.96 0.93 0.00 0.21 0.00 0.00 66.02 65.21 1uey s SER 71 CO 0.15 -1.27 1.61 0.61 0.41 0.00 0.00 173.24 174.76 1uey n GLY 72 N -2.94 -0.67 0.06 3.44 0.00 0.40 -3.03 105.19 102.45 1uey n GLY 72 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1uey n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uey n THR 73 N -0.49 0.47 -3.46 2.61 -2.24 -1.26 -4.72 114.28 105.19 1uey n THR 73 Ca 0.13 -0.58 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1uey n THR 73 Cb 0.13 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uey s GLN 74 N -3.29 2.65 0.00 -0.78 -2.07 -1.17 -5.04 119.66 109.97 1uey s GLN 74 Ca -0.06 -1.41 0.01 0.00 -1.82 0.00 0.00 55.36 52.08 1uey s GLN 74 Cb 0.11 -2.50 0.01 0.00 -1.09 0.00 0.00 33.01 29.54 1uey s GLN 74 CO 0.86 -0.16 0.83 0.25 -1.32 0.00 0.00 175.29 175.74 1uey n THR 75 N -1.60 0.00 -3.71 3.63 -2.24 -1.26 -4.85 114.28 104.25 1uey n THR 75 Ca 0.04 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 1uey n THR 75 Cb 0.61 0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 1uey n THR 75 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uey s THR 76 N 0.00 -0.16 0.07 4.28 -4.23 -1.26 -2.38 115.64 111.96 1uey s THR 76 Ca 0.01 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1uey s THR 76 Cb 0.01 -0.27 -0.03 0.00 1.34 0.00 0.00 72.50 73.55 1uey s THR 76 CO -0.00 0.11 -0.11 0.00 -0.54 0.00 0.00 174.62 174.08 1uey s ALA 77 N 1.74 0.94 -0.05 3.99 0.00 -1.07 -4.94 121.76 122.38 1uey s ALA 77 Ca -0.03 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.71 1uey s ALA 77 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1uey s ALA 77 CO -0.06 0.04 0.74 -0.65 0.00 0.00 0.00 175.76 175.84 1uey s GLN 78 N -1.99 4.46 -0.15 0.00 -0.21 -1.26 0.48 119.66 120.99 1uey s GLN 78 Ca -0.03 0.97 -0.04 0.00 0.02 0.00 0.00 55.36 56.28 1uey s GLN 78 Cb -0.08 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 1uey s GLN 78 CO 0.01 0.07 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.71 1uey s LEU 79 N 0.75 3.32 -0.45 2.90 1.43 0.52 -4.93 118.68 122.22 1uey s LEU 79 Ca 0.40 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 1uey s LEU 79 Cb -0.18 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1uey s LEU 79 CO 0.20 0.19 0.66 0.20 0.23 0.00 0.00 176.35 177.83 1uey s ASN 80 N 0.24 6.31 0.05 2.29 0.01 -1.26 -2.48 114.94 120.10 1uey s ASN 80 Ca -0.02 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1uey s ASN 80 Cb -0.14 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1uey s ASN 80 CO 0.03 -0.82 0.12 -0.76 -1.51 0.00 0.00 177.10 174.15 1uey s LEU 81 N 2.87 4.01 0.24 0.60 1.43 -1.26 -5.09 118.68 121.47 1uey s LEU 81 Ca 0.22 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1uey s LEU 81 Cb -0.15 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1uey s LEU 81 CO 0.18 0.20 -0.18 -0.44 0.23 0.00 0.00 176.35 176.34 1uey s SER 82 N -2.22 3.12 0.24 2.29 0.01 -1.26 -5.02 113.70 110.86 1uey s SER 82 Ca 0.29 -1.00 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 1uey s SER 82 Cb -0.12 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.79 1uey s SER 82 CO 0.21 -0.04 1.09 -2.16 0.41 0.00 0.00 173.24 172.76 1uey s PRO 83 N -3.43 4.63 -0.62 12.44 0.04 -1.26 -3.62 135.00 143.18 1uey s PRO 83 Ca 0.25 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1uey s PRO 83 Cb -0.04 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1uey s PRO 83 CO 0.11 0.17 0.52 0.66 0.04 0.00 0.00 177.00 178.51 1uey n TYR 84 N 1.67 -1.20 -3.59 0.56 4.01 -1.26 -5.04 117.16 112.31 1uey n TYR 84 Ca 0.00 0.47 -0.10 0.00 -0.16 0.00 0.00 57.90 58.11 1uey n TYR 84 Cb 0.45 -3.30 -0.10 0.00 -0.31 0.00 0.00 39.34 36.07 1uey n TYR 84 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uey s VAL 85 N -3.17 -0.56 -0.09 -0.72 1.01 -1.24 -5.11 120.40 110.53 1uey s VAL 85 Ca 0.11 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1uey s VAL 85 Cb -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1uey s VAL 85 CO 0.36 0.03 -0.06 0.21 0.00 0.00 0.00 175.10 175.64 1uey s ASN 86 N 2.53 4.67 -0.02 3.32 2.47 -1.26 -4.69 114.94 121.96 1uey s ASN 86 Ca 0.02 -0.05 -0.30 0.00 0.42 0.00 0.00 52.86 52.95 1uey s ASN 86 Cb -0.13 -1.35 0.12 0.00 -1.45 0.00 0.00 41.25 38.44 1uey s ASN 86 CO -0.12 0.31 1.31 -0.72 -3.72 0.00 0.00 177.10 174.15 1uey s TYR 87 N -0.49 -0.02 0.53 0.43 -0.85 -1.26 -2.09 117.35 113.60 1uey s TYR 87 Ca 0.07 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.60 1uey s TYR 87 Cb -0.12 0.54 0.04 0.00 0.38 0.00 0.00 41.96 42.81 1uey s TYR 87 CO 0.02 -0.24 0.37 -1.13 -1.52 0.00 0.00 175.55 173.05 1uey n SER 88 N -0.62 2.73 -3.77 -0.18 3.41 -1.13 -3.83 113.62 110.23 1uey n SER 88 Ca -0.06 -2.84 -0.21 0.00 -0.26 0.00 0.00 58.87 55.50 1uey n SER 88 Cb 0.62 -0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.38 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uey s PHE 89 N -2.63 0.52 -0.05 7.33 0.08 -1.26 -3.49 117.98 118.48 1uey s PHE 89 Ca 0.28 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.30 1uey s PHE 89 Cb -0.02 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 1uey s PHE 89 CO 0.18 -0.27 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.89 1uey s ARG 90 N 1.79 2.49 -0.10 0.44 1.70 0.27 -3.41 118.95 122.13 1uey s ARG 90 Ca 0.02 -0.75 -0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1uey s ARG 90 Cb -0.13 -2.32 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 1uey s ARG 90 CO -0.04 0.57 -0.08 0.08 -1.08 0.00 0.00 175.30 174.76 1uey s VAL 91 N -0.61 3.61 0.19 4.99 1.01 -1.26 -0.10 120.40 128.22 1uey s VAL 91 Ca 0.09 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1uey s VAL 91 Cb -0.11 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1uey s VAL 91 CO 0.01 0.56 -0.23 -0.04 0.00 0.00 0.00 175.10 175.39 1uey s MET 92 N -0.31 1.55 -0.05 2.72 -1.94 0.61 -1.64 119.30 120.25 1uey s MET 92 Ca 0.04 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 52.59 1uey s MET 92 Cb -0.13 -1.88 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 1uey s MET 92 CO 0.02 0.41 -0.24 0.00 -0.01 0.00 0.00 175.02 175.20 1uey s ALA 93 N -1.63 2.10 -0.05 3.03 0.00 -1.26 -1.22 121.76 122.72 1uey s ALA 93 Ca 0.21 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1uey s ALA 93 Cb -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1uey s ALA 93 CO 0.10 0.43 -0.08 0.08 0.00 0.00 0.00 175.76 176.28 1uey s VAL 94 N -0.25 0.84 0.00 0.00 1.01 -0.75 -0.71 120.40 120.55 1uey s VAL 94 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1uey s VAL 94 Cb -0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1uey s VAL 94 CO 0.02 0.29 0.00 -0.46 0.00 0.00 0.00 175.10 174.95 1uey n ASN 95 N 3.89 0.74 -0.31 3.32 0.23 -0.78 -1.94 115.26 120.41 1uey n ASN 95 Ca -0.24 -1.00 0.16 0.00 -0.53 0.00 0.00 54.58 52.96 1uey n ASN 95 Cb 0.51 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.54 1uey n ASN 95 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1uey h SER 96 N 0.00 -0.04 0.00 0.53 0.02 -1.90 -3.04 113.55 109.12 1uey h SER 96 Ca -0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1uey h SER 96 Cb 0.00 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1uey h SER 96 CO 0.00 -0.22 0.00 -0.38 -1.14 0.00 0.00 176.83 175.09 1uey n ILE 97 N -5.27 0.00 -1.57 3.27 2.08 -1.26 -5.05 119.36 111.55 1uey n ILE 97 Ca 0.24 0.50 0.00 0.00 0.56 0.00 0.00 62.75 64.05 1uey n ILE 97 Cb 0.77 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 1uey n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uey n GLY 98 N -0.00 3.28 3.69 7.39 0.00 -1.15 -5.03 105.19 113.37 1uey n GLY 98 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1uey n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uey s LYS 99 N 1.47 4.11 0.95 1.61 2.20 -1.26 -1.87 119.74 126.94 1uey s LYS 99 Ca 0.00 -0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.19 1uey s LYS 99 Cb 0.00 -3.46 0.22 0.00 -1.51 0.00 0.00 37.83 33.08 1uey s LYS 99 CO 0.00 0.18 1.20 -1.13 -0.36 0.00 0.00 175.35 175.25 1uey n SER 100 N 3.89 -0.23 -4.78 1.43 3.41 0.12 -5.00 113.62 112.46 1uey n SER 100 Ca -0.16 -1.40 -0.31 0.00 -0.26 0.00 0.00 58.87 56.75 1uey n SER 100 Cb 0.52 -0.94 0.09 0.00 -0.26 0.00 0.00 64.21 63.61 1uey n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uey s LEU 101 N 0.00 2.86 0.40 1.04 1.43 -1.26 -4.63 118.68 118.52 1uey s LEU 101 Ca 0.69 1.63 -0.24 0.00 -1.03 0.00 0.00 54.13 55.18 1uey s LEU 101 Cb -0.03 -4.32 -0.09 0.00 0.03 0.00 0.00 46.19 41.79 1uey s LEU 101 CO 0.49 -1.96 1.05 -2.16 0.23 0.00 0.00 176.35 174.01 1uey s PRO 102 N -4.99 4.14 0.77 1.29 0.04 -1.26 -4.60 135.00 130.39 1uey s PRO 102 Ca 0.61 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1uey s PRO 102 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1uey s PRO 102 CO 0.56 -0.16 0.73 -1.13 0.04 0.00 0.00 177.00 177.04 1uey n SER 103 N -0.11 -0.52 0.00 6.66 3.41 -0.65 -4.90 113.62 117.51 1uey n SER 103 Ca 0.05 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1uey n SER 103 Cb 0.50 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1uey n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uey n GLU 104 N -1.57 0.00 0.00 4.33 1.02 -1.26 -4.72 120.64 118.44 1uey n GLU 104 Ca 0.11 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1uey n GLU 104 Cb 0.50 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uey n ALA 105 N -0.96 0.00 -0.68 0.62 0.00 -1.26 -5.01 120.51 113.22 1uey n ALA 105 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1uey n ALA 105 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1uey n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uey n SER 106 N 0.00 -3.09 -4.27 0.00 3.41 -1.22 -5.00 113.62 103.46 1uey n SER 106 Ca 0.00 -1.05 -0.29 0.00 -0.26 0.00 0.00 58.87 57.27 1uey n SER 106 Cb 0.00 -1.02 0.24 0.00 -0.26 0.00 0.00 64.21 63.17 1uey n SER 106 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1uey s GLU 107 N -5.34 -1.08 -0.66 4.33 4.04 -1.26 -4.67 118.70 114.05 1uey s GLU 107 Ca 0.70 0.50 -0.17 0.00 0.04 0.00 0.00 54.97 56.04 1uey s GLU 107 Cb -0.09 -1.56 0.14 0.00 0.02 0.00 0.00 34.13 32.63 1uey s GLU 107 CO 0.56 -3.74 0.71 -0.65 -1.84 0.00 0.00 175.26 170.30 1uey s GLN 108 N -4.80 3.20 -0.31 -4.83 -0.21 -1.26 -4.57 119.66 106.88 1uey s GLN 108 Ca 0.68 -1.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 1uey s GLN 108 Cb -0.20 -4.37 0.01 0.00 1.00 0.00 0.00 33.01 29.46 1uey s GLN 108 CO 0.61 -1.46 1.10 -0.47 -2.12 0.00 0.00 175.29 172.94 1uey s TYR 109 N 1.90 3.11 -0.18 0.91 6.14 -1.25 -4.85 117.35 123.12 1uey s TYR 109 Ca 0.13 1.18 0.00 0.00 0.64 0.00 0.00 57.07 59.02 1uey s TYR 109 Cb -0.21 -3.69 0.04 0.00 0.42 0.00 0.00 41.96 38.53 1uey s TYR 109 CO 0.01 -0.86 -0.08 -1.17 0.64 0.00 0.00 175.55 174.08 1uey s LEU 110 N 3.69 2.00 0.98 6.97 2.96 -1.26 -4.48 118.68 129.55 1uey s LEU 110 Ca 0.47 -0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 53.45 1uey s LEU 110 Cb -0.13 -1.10 0.18 0.00 0.50 0.00 0.00 46.19 45.64 1uey s LEU 110 CO 0.16 -0.16 1.15 0.42 -1.32 0.00 0.00 176.35 176.59 1uey s THR 111 N 1.49 1.93 0.14 3.68 -4.23 -1.26 -4.85 115.64 112.53 1uey s THR 111 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 61.69 60.16 1uey s THR 111 Cb -0.16 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 70.84 1uey s THR 111 CO -0.08 0.00 1.41 0.29 -0.54 0.00 0.00 174.62 175.70 1uey n LYS 112 N -4.00 1.59 -2.93 3.99 4.76 -1.26 -4.70 118.16 115.60 1uey n LYS 112 Ca 0.08 0.57 -0.13 0.00 -2.87 0.00 0.00 58.31 55.97 1uey n LYS 112 Cb 0.59 -2.25 0.02 0.00 -1.84 0.00 0.00 35.03 31.56 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uey n ALA 113 N 2.66 1.69 -3.77 7.82 0.00 -1.26 -4.44 120.51 123.21 1uey n ALA 113 Ca 0.17 -2.75 -0.32 0.00 0.00 0.00 0.00 53.44 50.54 1uey n ALA 113 Cb 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1uey n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey n SER 114 N 0.14 -4.20 -3.61 0.00 2.88 -1.26 -4.96 113.62 102.61 1uey n SER 114 Ca 0.15 -1.04 -0.07 0.00 -1.33 0.00 0.00 58.87 56.58 1uey n SER 114 Cb 0.72 -3.18 -0.05 0.00 -0.75 0.00 0.00 64.21 60.95 1uey n SER 114 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uey s GLU 115 N -6.22 0.37 -0.06 -1.46 2.02 -1.26 -5.08 118.70 107.01 1uey s GLU 115 Ca 0.38 0.15 -0.10 0.00 0.02 0.00 0.00 54.97 55.42 1uey s GLU 115 Cb -0.14 0.17 -0.06 0.00 0.10 0.00 0.00 34.13 34.20 1uey s GLU 115 CO 0.88 -0.10 0.41 -1.00 0.02 0.00 0.00 175.26 175.47 1uey h PRO 116 N 2.63 -0.32 -5.97 0.39 0.13 -2.02 -3.46 132.00 123.37 1uey h PRO 116 Ca -0.17 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.42 1uey h PRO 116 Cb 1.17 0.07 0.22 0.00 0.13 0.00 0.00 31.00 32.60 1uey h PRO 116 CO 0.25 -0.19 -1.63 -3.47 -0.23 0.00 0.00 178.00 172.73 1uey n ASP 117 N -5.00 -5.25 -0.05 1.44 2.03 -1.26 -4.93 116.55 103.53 1uey n ASP 117 Ca -0.04 0.34 -0.02 0.00 0.52 0.00 0.00 54.79 55.58 1uey n ASP 117 Cb 0.14 -0.79 -0.01 0.00 -0.72 0.00 0.00 41.12 39.75 1uey n ASP 117 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1uey h LYS 118 N -0.67 0.00 -4.24 -0.67 1.63 -1.92 -3.48 116.57 107.22 1uey h LYS 118 Ca -0.43 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 58.97 1uey h LYS 118 Cb 1.34 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.65 1uey h LYS 118 CO 0.29 0.00 -0.77 1.21 -3.45 0.00 0.00 179.45 176.73 1uey s ASN 119 N -5.43 0.94 0.09 4.20 3.84 -1.26 -4.60 114.94 112.72 1uey s ASN 119 Ca -0.06 -0.14 -0.13 0.00 0.21 0.00 0.00 52.86 52.74 1uey s ASN 119 Cb 0.01 -0.34 -0.19 0.00 -0.55 0.00 0.00 41.25 40.18 1uey s ASN 119 CO 0.09 0.00 1.24 1.55 -2.79 0.00 0.00 177.10 177.20 1uey h PRO 120 N 6.72 0.72 -6.31 0.43 0.13 -1.98 -3.43 132.00 128.28 1uey h PRO 120 Ca -0.35 -0.70 -0.55 0.00 -0.87 0.00 0.00 66.00 63.53 1uey h PRO 120 Cb 1.17 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1uey h PRO 120 CO 0.48 1.29 0.79 0.99 -0.23 0.00 0.00 178.00 181.32 1uey s THR 121 N -3.47 4.05 0.21 1.56 2.01 -1.26 -5.02 115.64 113.72 1uey s THR 121 Ca -0.10 1.38 0.11 0.00 0.31 0.00 0.00 61.69 63.39 1uey s THR 121 Cb 0.08 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1uey s THR 121 CO 0.91 -0.02 -0.21 -0.55 -0.69 0.00 0.00 174.62 174.06 1uey s SER 122 N 1.76 3.22 0.00 3.53 0.15 -1.26 -5.06 113.70 116.04 1uey s SER 122 Ca 0.59 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1uey s SER 122 Cb -0.27 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1uey s SER 122 CO 0.23 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1uey n GLY 123 N 0.02 1.59 2.99 9.45 0.00 -1.26 -4.89 105.19 113.08 1uey n GLY 123 Ca -0.11 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1uey n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uey n PRO 124 N 0.00 2.16 -3.60 1.61 -0.04 -1.26 -4.91 135.00 128.96 1uey n PRO 124 Ca 0.00 -2.27 -0.36 0.00 -0.04 0.00 0.00 63.50 60.83 1uey n PRO 124 Cb 0.00 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.25 1uey n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uey s SER 125 N 4.26 6.45 -0.20 3.54 0.01 -1.26 -5.07 113.70 121.43 1uey s SER 125 Ca 0.53 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 58.24 1uey s SER 125 Cb 0.13 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1uey s SER 125 CO 0.03 0.18 0.07 -0.55 0.41 0.00 0.00 173.24 173.38 1uey s SER 126 N 0.04 5.57 0.00 2.44 0.15 -1.26 -5.21 113.70 115.44 1uey s SER 126 Ca 0.16 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.10 1uey s SER 126 Cb -0.13 -1.97 0.58 0.00 -1.71 0.00 0.00 66.02 62.80 1uey s SER 126 CO 0.04 0.13 1.48 0.61 1.20 0.00 0.00 173.24 176.70