#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 -0.11 -0.28 1.61 1.04 -1.26 -5.18 113.70 109.53 1uey s SER 2 Ca 0.00 -0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.07 1uey s SER 2 Cb 0.00 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.41 1uey s SER 2 CO 0.00 -0.36 0.83 -0.55 0.98 0.00 0.00 173.24 174.14 1uey s SER 3 N -2.74 -0.67 0.30 7.02 0.15 -1.26 -5.18 113.70 111.33 1uey s SER 3 Ca 0.12 1.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.96 1uey s SER 3 Cb 0.02 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.62 1uey s SER 3 CO -0.04 -0.21 0.50 0.61 1.20 0.00 0.00 173.24 175.30 1uey n GLY 4 N 2.76 1.83 3.88 9.45 0.00 -1.26 -5.17 105.19 116.68 1uey n GLY 4 Ca -0.14 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.75 5.93 -0.28 1.61 1.04 -1.26 -5.07 113.70 112.92 1uey s SER 5 Ca 0.20 1.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 1uey s SER 5 Cb -0.02 -2.26 0.11 0.00 0.10 0.00 0.00 66.02 63.94 1uey s SER 5 CO 0.14 -1.05 0.18 -0.55 0.98 0.00 0.00 173.24 172.94 1uey s SER 6 N -4.25 2.89 0.00 7.02 0.15 -1.26 -5.10 113.70 113.14 1uey s SER 6 Ca 0.56 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1uey s SER 6 Cb -0.11 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1uey s SER 6 CO 0.53 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1uey n GLY 7 N 5.27 2.96 3.07 9.45 0.00 -1.26 -5.05 105.19 119.64 1uey n GLY 7 Ca -0.05 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1uey n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uey n PRO 8 N 0.00 2.21 -3.55 1.61 -0.04 -1.26 -4.75 135.00 129.22 1uey n PRO 8 Ca 0.00 -2.36 -0.29 0.00 -0.04 0.00 0.00 63.50 60.80 1uey n PRO 8 Cb 0.00 -3.22 -0.12 0.00 -0.04 0.00 0.00 33.50 30.12 1uey n PRO 8 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1uey s THR 9 N 4.93 0.57 -1.02 0.52 -4.23 -1.26 -5.06 115.64 110.08 1uey s THR 9 Ca 0.54 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.83 1uey s THR 9 Cb 0.11 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1uey s THR 9 CO 0.04 -0.96 1.72 -2.16 -0.54 0.00 0.00 174.62 172.72 1uey s PRO 10 N 0.83 3.11 -0.16 3.99 0.04 -1.26 -4.89 135.00 136.67 1uey s PRO 10 Ca 0.18 -0.88 -0.14 0.00 0.04 0.00 0.00 61.00 60.20 1uey s PRO 10 Cb -0.23 -5.25 0.04 0.00 0.04 0.00 0.00 34.50 29.10 1uey s PRO 10 CO 0.01 -2.85 0.42 0.00 0.04 0.00 0.00 177.00 174.62 1uey s ALA 11 N 7.50 -1.04 1.00 8.56 0.00 -1.26 -5.17 121.76 131.35 1uey s ALA 11 Ca 0.58 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1uey s ALA 11 Cb -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1uey s ALA 11 CO -0.02 -0.21 0.00 -0.35 0.00 0.00 0.00 175.76 175.18 1uey n PRO 12 N 3.07 -0.30 -3.71 0.00 -0.04 -1.26 -5.10 135.00 127.66 1uey n PRO 12 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1uey n PRO 12 Cb 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.92 1uey n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uey s VAL 13 N -0.86 -0.02 0.04 0.52 1.01 -1.26 -5.17 120.40 114.66 1uey s VAL 13 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1uey s VAL 13 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1uey s VAL 13 CO 0.00 0.02 0.01 -1.22 0.00 0.00 0.00 175.10 173.91 1uey n TYR 14 N 3.74 -0.38 0.00 5.22 4.01 -1.26 -4.37 117.16 124.11 1uey n TYR 14 Ca -0.20 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1uey n TYR 14 Cb 0.56 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 -1.32 0.00 -1.00 7.72 8.00 -1.26 -5.06 116.55 123.64 1uey n ASP 15 Ca -0.01 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.58 1uey n ASP 15 Cb 0.05 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.40 -2.42 2.53 0.24 -1.26 -4.59 118.33 112.43 1uey n VAL 16 Ca 0.00 0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 62.32 1uey n VAL 16 Cb 0.00 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 31.65 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 -4.36 4.25 1.00 7.34 0.04 -1.25 -4.54 135.00 137.47 1uey s PRO 17 Ca 0.00 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1uey s PRO 17 Cb 0.00 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.73 1uey s PRO 17 CO 0.00 -0.67 -0.54 0.09 0.04 0.00 0.00 177.00 175.92 1uey n ASN 18 N 6.39 -3.95 -4.80 6.66 5.03 -0.74 -4.43 115.26 119.42 1uey n ASN 18 Ca 0.14 0.14 -0.34 0.00 0.87 0.00 0.00 54.58 55.39 1uey n ASN 18 Cb 0.45 -0.85 -0.03 0.00 -1.02 0.00 0.00 39.78 38.33 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 -2.61 3.76 0.93 3.52 0.04 -1.26 -4.45 135.00 134.93 1uey s PRO 19 Ca 0.46 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1uey s PRO 19 Cb -0.12 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.48 1uey s PRO 19 CO 0.73 -0.46 1.15 -1.25 0.04 0.00 0.00 177.00 177.21 1uey s PRO 20 N -3.31 1.00 0.30 0.56 0.04 -1.26 -4.10 135.00 128.24 1uey s PRO 20 Ca 0.67 0.24 -0.09 0.00 0.04 0.00 0.00 61.00 61.85 1uey s PRO 20 Cb -0.16 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1uey s PRO 20 CO 0.21 -2.28 0.52 -0.59 0.04 0.00 0.00 177.00 174.90 1uey s PHE 21 N -3.30 0.60 -1.58 0.56 -0.12 -0.79 -4.38 117.98 108.96 1uey s PHE 21 Ca 0.65 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 1uey s PHE 21 Cb -0.14 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1uey s PHE 21 CO 0.53 -1.12 0.00 -3.47 -0.05 0.00 0.00 175.22 171.11 1uey n ASP 22 N -0.90 -4.96 -4.63 1.98 -0.08 -1.26 -3.10 116.55 103.60 1uey n ASP 22 Ca -0.02 0.19 -0.47 0.00 -1.51 0.00 0.00 54.79 52.99 1uey n ASP 22 Cb 0.62 -3.99 -0.03 0.00 2.34 0.00 0.00 41.12 40.05 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1uey n LEU 23 N -2.15 2.49 -4.01 -2.67 4.32 -1.26 -4.83 117.00 108.89 1uey n LEU 23 Ca -0.18 1.14 -0.10 0.00 -0.02 0.00 0.00 56.01 56.85 1uey n LEU 23 Cb 0.60 -1.34 -0.07 0.00 -1.62 0.00 0.00 43.42 40.99 1uey n LEU 23 CO 0.24 -0.78 0.01 -1.61 -1.22 0.00 0.00 177.39 174.03 1uey s GLU 24 N -0.24 1.29 -0.07 3.23 2.02 -1.06 -4.59 118.70 119.28 1uey s GLU 24 Ca 0.72 -1.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 1uey s GLU 24 Cb -0.74 0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.92 1uey s GLU 24 CO 0.49 -0.49 0.04 -0.51 0.02 0.00 0.00 175.26 174.82 1uey s LEU 25 N -3.02 0.36 -0.15 1.80 1.43 -1.26 -2.80 118.68 115.04 1uey s LEU 25 Ca 0.23 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1uey s LEU 25 Cb 0.03 -0.27 0.07 0.00 0.03 0.00 0.00 46.19 46.04 1uey s LEU 25 CO 0.05 -0.25 0.34 0.42 0.23 0.00 0.00 176.35 177.14 1uey s THR 26 N 2.09 -0.29 0.30 5.49 -4.23 -1.19 -5.04 115.64 112.77 1uey s THR 26 Ca 0.04 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1uey s THR 26 Cb -0.13 -0.54 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1uey s THR 26 CO -0.05 0.07 0.37 -0.90 -0.54 0.00 0.00 174.62 173.58 1uey n ASP 27 N 4.83 -1.02 -1.80 3.99 5.75 -1.26 -4.06 116.55 122.98 1uey n ASP 27 Ca -0.16 -2.69 -0.01 0.00 -0.01 0.00 0.00 54.79 51.93 1uey n ASP 27 Cb 0.52 1.99 0.03 0.00 -1.03 0.00 0.00 41.12 42.62 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 -0.51 0.29 0.00 0.11 10.64 -1.26 -5.03 117.38 121.61 1uey n GLN 28 Ca 0.02 -0.28 0.00 0.00 -1.83 0.00 0.00 57.00 54.91 1uey n GLN 28 Cb 0.51 0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 1uey n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1uey n LEU 29 N -0.34 0.00 0.00 2.61 7.94 -1.26 -5.10 117.00 120.85 1uey n LEU 29 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1uey n LEU 29 Cb 0.58 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1uey n LEU 29 CO -0.04 -0.22 0.00 0.47 -1.11 0.00 0.00 177.39 176.49 1uey n ASP 30 N -1.92 0.00 -2.88 1.96 9.92 -1.26 -4.99 116.55 117.38 1uey n ASP 30 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1uey n ASP 30 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1uey n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1uey n LYS 31 N 0.00 2.06 -3.04 -1.24 4.76 -1.26 -4.95 118.16 114.49 1uey n LYS 31 Ca 0.00 -3.96 0.01 0.00 -2.87 0.00 0.00 58.31 51.50 1uey n LYS 31 Cb 0.00 -1.85 -0.00 0.00 -1.84 0.00 0.00 35.03 31.34 1uey n LYS 31 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1uey s SER 32 N -3.06 -1.08 -0.05 4.39 1.04 -1.26 -4.92 113.70 108.76 1uey s SER 32 Ca 0.41 -0.54 -0.25 0.00 0.48 0.00 0.00 55.95 56.05 1uey s SER 32 Cb 0.36 1.38 -0.03 0.00 0.10 0.00 0.00 66.02 67.83 1uey s SER 32 CO -0.09 -0.12 0.78 0.54 0.98 0.00 0.00 173.24 175.33 1uey s VAL 33 N 1.91 5.00 0.15 5.02 0.11 -1.15 -4.64 120.40 126.80 1uey s VAL 33 Ca 0.15 1.61 -0.19 0.00 -2.93 0.00 0.00 61.98 60.63 1uey s VAL 33 Cb -0.01 -4.12 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 1uey s VAL 33 CO -0.10 0.23 0.63 -1.58 -3.33 0.00 0.00 175.10 170.94 1uey s GLN 34 N 0.87 4.19 -0.27 1.54 0.74 -1.26 0.13 119.66 125.60 1uey s GLN 34 Ca 0.41 0.75 -0.01 0.00 0.05 0.00 0.00 55.36 56.57 1uey s GLN 34 Cb -0.19 -3.05 0.04 0.00 1.10 0.00 0.00 33.01 30.92 1uey s GLN 34 CO 0.21 0.52 -0.05 -1.17 -0.55 0.00 0.00 175.29 174.24 1uey s LEU 35 N -1.60 3.53 -0.30 3.68 2.96 0.58 -3.15 118.68 124.38 1uey s LEU 35 Ca 0.36 -1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 52.98 1uey s LEU 35 Cb -0.18 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1uey s LEU 35 CO 0.20 -0.20 0.23 -0.44 -1.32 0.00 0.00 176.35 174.83 1uey s SER 36 N 1.24 6.07 0.32 3.68 0.01 -1.12 -2.55 113.70 121.34 1uey s SER 36 Ca -0.04 -0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.21 1uey s SER 36 Cb -0.19 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 63.84 1uey s SER 36 CO -0.03 -0.13 -0.11 -1.66 0.41 0.00 0.00 173.24 171.71 1uey s TRP 37 N 1.80 2.30 -0.23 2.43 -2.14 -0.82 -2.56 118.94 119.72 1uey s TRP 37 Ca 0.08 -0.50 0.00 0.00 2.66 0.00 0.00 56.10 58.34 1uey s TRP 37 Cb -0.16 -1.25 0.06 0.00 -3.10 0.00 0.00 33.47 29.01 1uey s TRP 37 CO 0.11 0.56 -0.04 0.99 -2.66 0.00 0.00 176.95 175.90 1uey s THR 38 N -2.66 1.45 -0.51 0.66 2.01 -1.18 -4.82 115.64 110.59 1uey s THR 38 Ca 0.31 -1.19 -0.28 0.00 0.31 0.00 0.00 61.69 60.85 1uey s THR 38 Cb 0.01 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.79 1uey s THR 38 CO 0.15 -0.13 1.47 -2.16 -0.69 0.00 0.00 174.62 173.26 1uey s PRO 39 N 1.43 3.34 0.00 4.92 0.04 -1.26 -1.89 135.00 141.58 1uey s PRO 39 Ca -0.05 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1uey s PRO 39 Cb -0.19 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1uey s PRO 39 CO -0.07 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1uey n GLY 40 N 5.24 -3.54 3.69 0.56 0.00 -1.26 -4.90 105.19 104.99 1uey n GLY 40 Ca 0.15 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1uey n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uey s ASP 41 N -1.99 3.40 -0.01 1.61 1.01 -1.26 -4.85 116.67 114.58 1uey s ASP 41 Ca 0.00 2.28 0.12 0.00 0.71 0.00 0.00 52.55 55.65 1uey s ASP 41 Cb 0.00 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.19 1uey s ASP 41 CO 0.00 -2.79 0.35 0.47 0.21 0.00 0.00 175.17 173.40 1uey n ASP 42 N -3.64 1.62 -3.06 0.27 8.00 -1.26 -1.79 116.55 116.70 1uey n ASP 42 Ca 0.13 -0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.29 1uey n ASP 42 Cb 0.51 1.33 0.02 0.00 -0.02 0.00 0.00 41.12 42.95 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 -1.66 -7.40 0.00 -2.24 5.03 -1.26 -3.22 115.26 104.51 1uey n ASN 43 Ca -0.00 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.24 1uey n ASN 43 Cb 0.25 -5.18 0.00 0.00 -1.02 0.00 0.00 39.78 33.84 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 -2.07 0.00 -4.64 6.41 3.02 -1.26 -4.22 115.26 112.50 1uey n ASN 44 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1uey n ASN 44 Cb 0.53 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 1uey n ASN 44 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1uey s SER 45 N 0.00 6.65 0.60 6.41 0.15 -1.20 -4.99 113.70 121.32 1uey s SER 45 Ca 0.00 1.62 -0.15 0.00 0.70 0.00 0.00 55.95 58.12 1uey s SER 45 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1uey s SER 45 CO 0.00 -1.03 1.05 -2.16 1.20 0.00 0.00 173.24 172.30 1uey s PRO 46 N 4.12 3.35 0.40 5.44 0.04 -1.26 -4.54 135.00 142.55 1uey s PRO 46 Ca 0.63 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1uey s PRO 46 Cb -0.23 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1uey s PRO 46 CO 0.24 -0.78 1.25 0.42 0.04 0.00 0.00 177.00 178.17 1uey s ILE 47 N -2.54 2.83 0.00 0.56 -1.09 -1.26 -4.36 121.20 115.34 1uey s ILE 47 Ca 0.62 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1uey s ILE 47 Cb -0.15 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1uey s ILE 47 CO 0.38 0.10 0.00 0.35 -1.23 0.00 0.00 174.94 174.54 1uey n THR 48 N 0.16 0.00 -3.92 2.92 -2.24 -0.34 -4.59 114.28 106.26 1uey n THR 48 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1uey n THR 48 Cb 0.45 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.91 0.74 -0.25 -0.78 2.20 -0.66 0.19 119.74 119.27 1uey s LYS 49 Ca 0.00 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1uey s LYS 49 Cb 0.00 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.69 1uey s LYS 49 CO 0.00 -0.21 0.07 -0.06 -0.36 0.00 0.00 175.35 174.79 1uey s PHE 50 N -3.56 1.22 0.32 4.03 0.08 -0.17 -1.19 117.98 118.72 1uey s PHE 50 Ca 0.03 -1.20 -0.10 0.00 0.12 0.00 0.00 56.93 55.78 1uey s PHE 50 Cb 0.04 -1.27 -0.07 0.00 -0.57 0.00 0.00 43.02 41.15 1uey s PHE 50 CO -0.09 -0.74 0.66 0.42 -0.10 0.00 0.00 175.22 175.37 1uey s ILE 51 N 1.79 4.86 0.19 0.64 1.01 -0.31 -0.55 121.20 128.83 1uey s ILE 51 Ca 0.04 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1uey s ILE 51 Cb -0.17 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1uey s ILE 51 CO -0.18 -0.31 -0.12 -0.63 0.00 0.00 0.00 174.94 173.70 1uey s ILE 52 N -2.11 1.51 0.16 2.92 1.01 0.85 0.19 121.20 125.74 1uey s ILE 52 Ca 0.49 -2.15 -0.17 0.00 0.00 0.00 0.00 60.65 58.82 1uey s ILE 52 Cb -0.11 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.37 1uey s ILE 52 CO 0.26 -0.61 0.47 -1.61 0.00 0.00 0.00 174.94 173.45 1uey s GLU 53 N -3.70 1.24 0.11 2.79 2.02 -1.23 -2.07 118.70 117.86 1uey s GLU 53 Ca 0.21 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.30 1uey s GLU 53 Cb 0.01 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1uey s GLU 53 CO 0.05 -0.51 0.24 1.52 0.02 0.00 0.00 175.26 176.59 1uey s TYR 54 N -3.85 0.13 0.02 1.61 1.13 -1.15 -1.07 117.35 114.18 1uey s TYR 54 Ca 0.07 -0.53 0.03 0.00 -1.41 0.00 0.00 57.07 55.23 1uey s TYR 54 Cb 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 41.96 40.85 1uey s TYR 54 CO -0.07 -0.60 -0.10 -1.83 -2.51 0.00 0.00 175.55 170.44 1uey s GLU 55 N -3.87 0.70 -0.57 -3.49 4.04 -1.23 -1.34 118.70 112.95 1uey s GLU 55 Ca 0.07 -0.58 -0.20 0.00 0.04 0.00 0.00 54.97 54.30 1uey s GLU 55 Cb 0.04 -0.64 0.08 0.00 0.02 0.00 0.00 34.13 33.63 1uey s GLU 55 CO -0.09 0.16 0.74 0.34 -1.84 0.00 0.00 175.26 174.56 1uey s ASP 56 N -0.91 6.21 0.41 0.83 -1.08 -1.23 -1.90 116.67 119.01 1uey s ASP 56 Ca -0.01 -1.08 0.26 0.00 -0.52 0.00 0.00 52.55 51.19 1uey s ASP 56 Cb -0.07 -2.33 0.69 0.00 -1.46 0.00 0.00 42.92 39.76 1uey s ASP 56 CO 0.00 -1.10 1.73 0.00 0.52 0.00 0.00 175.17 176.33 1uey h ALA 57 N 9.19 1.00 -0.00 3.66 0.00 -1.70 0.67 119.26 132.08 1uey h ALA 57 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uey h ALA 57 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1uey h ALA 57 CO 1.06 0.00 -0.10 -0.12 0.00 0.00 0.00 179.25 180.09 1uey n MET 58 N -2.88 0.32 0.00 0.00 0.00 -1.24 -4.42 117.12 108.89 1uey n MET 58 Ca 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.66 1uey n MET 58 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.16 1uey n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1uey n HIS 59 N -1.28 0.00 -3.77 1.12 8.25 -1.05 -5.01 115.22 113.48 1uey n HIS 59 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 1uey n HIS 59 Cb 0.30 0.29 -0.14 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.91 1.13 -0.45 -0.41 3.01 0.23 -5.07 119.74 117.26 1uey s LYS 60 Ca 0.00 -1.66 -0.28 0.00 -1.01 0.00 0.00 55.97 53.01 1uey s LYS 60 Cb 0.00 -2.37 0.01 0.00 -1.01 0.00 0.00 37.83 34.46 1uey s LYS 60 CO 0.00 -1.06 1.44 -1.25 0.51 0.00 0.00 175.35 174.98 1uey s PRO 61 N 0.88 3.47 0.00 -1.68 0.04 -0.69 -2.56 135.00 134.46 1uey s PRO 61 Ca 0.14 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1uey s PRO 61 Cb -0.21 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1uey s PRO 61 CO -0.10 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1uey n GLY 62 N 5.16 1.63 3.57 0.56 0.00 -1.26 -5.01 105.19 109.84 1uey n GLY 62 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.39 -0.05 0.99 2.96 -1.06 -4.99 118.68 119.92 1uey s LEU 63 Ca 0.00 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 1uey s LEU 63 Cb 0.00 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 1uey s LEU 63 CO 0.00 -1.56 0.40 0.26 -1.32 0.00 0.00 176.35 174.13 1uey s TRP 64 N 5.16 3.65 0.04 5.38 0.52 -1.26 -3.89 118.94 128.55 1uey s TRP 64 Ca 0.42 0.91 0.06 0.00 0.02 0.00 0.00 56.10 57.51 1uey s TRP 64 Cb -0.08 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 1uey s TRP 64 CO 0.23 0.50 -0.16 -1.01 0.02 0.00 0.00 176.95 176.53 1uey s HIS 65 N -0.54 1.41 -0.05 -1.98 3.76 -0.45 -4.92 115.29 112.51 1uey s HIS 65 Ca 0.23 -0.37 -0.32 0.00 -0.15 0.00 0.00 55.06 54.45 1uey s HIS 65 Cb -0.16 -0.83 -0.10 0.00 1.11 0.00 0.00 32.58 32.59 1uey s HIS 65 CO 0.11 0.06 1.94 1.58 -0.85 0.00 0.00 174.74 177.59 1uey n HIS 66 N 1.82 2.37 0.00 1.40 -0.00 -1.26 -2.94 115.22 116.60 1uey n HIS 66 Ca -0.18 -0.15 0.00 0.00 0.46 0.00 0.00 57.72 57.85 1uey n HIS 66 Cb 0.54 -2.72 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 1uey n HIS 66 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1uey n GLN 67 N 7.14 0.00 -3.56 1.57 -0.06 -0.88 -4.96 117.38 116.63 1uey n GLN 67 Ca 0.22 0.05 -0.08 0.00 -2.00 0.00 0.00 57.00 55.19 1uey n GLN 67 Cb 0.34 -0.43 -0.03 0.00 -4.06 0.00 0.00 30.24 26.06 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 -0.73 0.00 0.34 1.69 -1.32 -1.23 -5.00 115.64 109.39 1uey s THR 68 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1uey s THR 68 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1uey s THR 68 CO 0.00 0.00 0.01 -1.83 -2.21 0.00 0.00 174.62 170.59 1uey s GLU 69 N -2.03 1.72 0.20 7.08 4.04 -1.26 -0.10 118.70 128.35 1uey s GLU 69 Ca 0.03 -1.94 0.02 0.00 0.04 0.00 0.00 54.97 53.12 1uey s GLU 69 Cb -0.01 -1.18 -0.01 0.00 0.02 0.00 0.00 34.13 32.95 1uey s GLU 69 CO -0.04 -0.09 0.23 1.33 -1.84 0.00 0.00 175.26 174.85 1uey n VAL 70 N -0.75 0.00 -1.31 1.83 0.24 0.29 -4.94 118.33 113.69 1uey n VAL 70 Ca -0.04 -1.21 -0.29 0.00 -2.04 0.00 0.00 64.34 60.76 1uey n VAL 70 Cb 0.66 0.67 0.16 0.00 -1.47 0.00 0.00 33.84 33.85 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 -2.30 3.07 -0.26 -1.34 0.01 -1.26 -1.00 113.70 110.62 1uey s SER 71 Ca 0.20 1.15 0.01 0.00 1.31 0.00 0.00 55.95 58.62 1uey s SER 71 Cb 0.00 -1.80 0.29 0.00 0.21 0.00 0.00 66.02 64.72 1uey s SER 71 CO 0.14 -2.85 1.66 0.61 0.41 0.00 0.00 173.24 173.21 1uey n GLY 72 N -1.49 3.55 0.64 3.44 0.00 0.52 -3.79 105.19 108.05 1uey n GLY 72 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1uey n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uey n THR 73 N -0.07 0.00 -2.65 2.61 -1.04 -1.26 -4.49 114.28 107.37 1uey n THR 73 Ca 0.30 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.95 1uey n THR 73 Cb 0.89 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.85 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uey s GLN 74 N -1.66 4.20 -0.09 -2.82 -2.07 -1.25 -4.96 119.66 111.01 1uey s GLN 74 Ca 0.00 1.37 0.13 0.00 -1.82 0.00 0.00 55.36 55.04 1uey s GLN 74 Cb 0.00 -2.43 0.20 0.00 -1.09 0.00 0.00 33.01 29.69 1uey s GLN 74 CO 0.00 -0.09 1.09 0.25 -1.32 0.00 0.00 175.29 175.22 1uey n THR 75 N -0.23 1.43 -3.94 3.63 -2.24 -1.26 -4.80 114.28 106.87 1uey n THR 75 Ca 0.06 -1.69 -0.18 0.00 -2.27 0.00 0.00 64.05 59.97 1uey n THR 75 Cb 0.51 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.10 0.23 0.01 4.28 -4.23 -1.26 -1.94 115.64 110.62 1uey s THR 76 Ca 0.22 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1uey s THR 76 Cb 0.19 -0.33 -0.01 0.00 1.34 0.00 0.00 72.50 73.70 1uey s THR 76 CO 0.02 0.17 -0.01 0.00 -0.54 0.00 0.00 174.62 174.25 1uey s ALA 77 N 1.13 0.07 0.12 3.99 0.00 -1.06 -4.92 121.76 121.09 1uey s ALA 77 Ca -0.08 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1uey s ALA 77 Cb -0.13 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1uey s ALA 77 CO -0.02 -0.06 1.03 -0.65 0.00 0.00 0.00 175.76 176.05 1uey s GLN 78 N -0.63 4.63 -0.10 0.00 -0.21 -1.26 -0.30 119.66 121.78 1uey s GLN 78 Ca -0.07 1.56 -0.00 0.00 0.02 0.00 0.00 55.36 56.87 1uey s GLN 78 Cb -0.04 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1uey s GLN 78 CO -0.00 0.11 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.69 1uey s LEU 79 N 0.06 3.08 -0.45 2.90 1.43 0.35 -4.94 118.68 121.10 1uey s LEU 79 Ca 0.49 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1uey s LEU 79 Cb -0.26 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1uey s LEU 79 CO 0.31 0.27 0.59 0.21 0.23 0.00 0.00 176.35 177.97 1uey s ASN 80 N -0.28 6.27 0.26 2.29 3.84 -1.26 -2.91 114.94 123.14 1uey s ASN 80 Ca 0.04 -0.56 0.07 0.00 0.21 0.00 0.00 52.86 52.61 1uey s ASN 80 Cb -0.13 -2.29 -0.03 0.00 -0.55 0.00 0.00 41.25 38.25 1uey s ASN 80 CO 0.03 -0.76 0.22 -0.76 -2.79 0.00 0.00 177.10 173.03 1uey s LEU 81 N 2.62 3.82 0.08 3.21 1.43 -1.26 -5.10 118.68 123.47 1uey s LEU 81 Ca 0.18 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1uey s LEU 81 Cb -0.16 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1uey s LEU 81 CO 0.16 -0.07 -0.08 -0.44 0.23 0.00 0.00 176.35 176.14 1uey s SER 82 N -3.87 1.16 0.16 2.29 0.01 -1.26 -5.05 113.70 107.14 1uey s SER 82 Ca 0.34 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1uey s SER 82 Cb -0.08 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1uey s SER 82 CO 0.25 -0.30 1.12 -2.16 0.41 0.00 0.00 173.24 172.57 1uey s PRO 83 N -2.67 4.56 -0.71 12.44 0.04 -1.26 -3.55 135.00 143.85 1uey s PRO 83 Ca 0.02 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1uey s PRO 83 Cb -0.03 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1uey s PRO 83 CO -0.01 0.01 0.60 0.66 0.04 0.00 0.00 177.00 178.30 1uey n TYR 84 N 2.57 -1.36 -3.30 0.56 4.01 -1.26 -5.02 117.16 113.35 1uey n TYR 84 Ca 0.04 0.55 -0.09 0.00 -0.16 0.00 0.00 57.90 58.23 1uey n TYR 84 Cb 0.46 -3.64 -0.06 0.00 -0.31 0.00 0.00 39.34 35.79 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 -3.20 -0.63 0.34 -0.72 1.01 -1.23 -5.12 120.40 110.85 1uey s VAL 85 Ca 0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1uey s VAL 85 Cb -0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 1uey s VAL 85 CO 0.42 -0.30 0.84 0.21 0.00 0.00 0.00 175.10 176.27 1uey s ASN 86 N 2.43 6.99 0.00 3.32 2.47 -1.26 -4.71 114.94 124.17 1uey s ASN 86 Ca 0.10 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.93 1uey s ASN 86 Cb -0.12 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1uey s ASN 86 CO -0.27 -0.19 0.00 0.00 -3.72 0.00 0.00 177.10 172.92 1uey n TYR 87 N -0.08 0.00 -4.14 0.43 0.18 -1.25 -2.70 117.16 109.60 1uey n TYR 87 Ca 0.03 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.56 1uey n TYR 87 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 1uey n TYR 87 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1uey n SER 88 N 0.00 2.80 -3.68 9.48 3.41 -0.80 -4.01 113.62 120.83 1uey n SER 88 Ca 0.00 -2.78 -0.11 0.00 -0.26 0.00 0.00 58.87 55.72 1uey n SER 88 Cb 0.00 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.49 -0.60 0.34 7.33 0.08 -1.26 -3.47 117.98 117.91 1uey s PHE 89 Ca 0.18 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.49 1uey s PHE 89 Cb -0.01 0.19 0.02 0.00 -0.57 0.00 0.00 43.02 42.64 1uey s PHE 89 CO 0.11 -0.38 0.13 2.89 -0.10 0.00 0.00 175.22 177.87 1uey n ARG 90 N 4.91 1.09 -3.74 0.44 1.85 -0.23 -2.78 116.66 118.19 1uey n ARG 90 Ca -0.14 -2.32 -0.12 0.00 -1.00 0.00 0.00 57.85 54.27 1uey n ARG 90 Cb 0.52 0.45 -0.13 0.00 -1.05 0.00 0.00 32.46 32.24 1uey n ARG 90 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1uey s VAL 91 N -1.98 -0.03 0.15 8.89 1.01 -1.26 -3.56 120.40 123.62 1uey s VAL 91 Ca 0.10 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1uey s VAL 91 Cb -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1uey s VAL 91 CO 0.06 0.05 -0.18 -0.04 0.00 0.00 0.00 175.10 174.99 1uey s MET 92 N 0.98 1.76 -0.06 2.72 -1.94 0.50 -1.79 119.30 121.47 1uey s MET 92 Ca -0.07 -1.30 0.06 0.00 -1.71 0.00 0.00 55.69 52.66 1uey s MET 92 Cb -0.08 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 1uey s MET 92 CO -0.06 0.45 -0.24 0.00 -0.01 0.00 0.00 175.02 175.15 1uey s ALA 93 N -1.42 2.22 -0.05 3.03 0.00 -1.26 -1.17 121.76 123.11 1uey s ALA 93 Ca 0.20 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1uey s ALA 93 Cb -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1uey s ALA 93 CO 0.11 0.43 -0.10 0.08 0.00 0.00 0.00 175.76 176.28 1uey s VAL 94 N -0.22 0.92 0.00 0.00 1.01 -0.33 -0.48 120.40 121.29 1uey s VAL 94 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1uey s VAL 94 Cb -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1uey s VAL 94 CO 0.03 0.30 0.00 -0.46 0.00 0.00 0.00 175.10 174.97 1uey n ASN 95 N 3.75 0.73 -0.31 3.32 0.23 -0.72 -1.20 115.26 121.06 1uey n ASN 95 Ca -0.23 -0.72 0.10 0.00 -0.53 0.00 0.00 54.58 53.21 1uey n ASN 95 Cb 0.52 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.49 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 0.55 0.00 0.53 0.02 -1.91 -3.05 113.55 109.69 1uey h SER 96 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1uey h SER 96 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1uey h SER 96 CO 0.00 0.18 0.00 -0.38 -1.14 0.00 0.00 176.83 175.49 1uey n ILE 97 N -4.89 0.00 -2.43 3.27 2.08 -1.26 -5.04 119.36 111.09 1uey n ILE 97 Ca 0.20 1.00 0.00 0.00 0.56 0.00 0.00 62.75 64.51 1uey n ILE 97 Cb 0.53 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 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 -0.49 1.93 3.69 7.39 0.00 -1.15 -5.00 105.19 111.55 1uey n GLY 98 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 1.04 4.16 0.93 1.61 2.20 -1.26 -1.75 119.74 126.68 1uey s LYS 99 Ca 0.00 -0.06 -0.15 0.00 -0.36 0.00 0.00 55.97 55.40 1uey s LYS 99 Cb 0.00 -3.50 0.17 0.00 -1.51 0.00 0.00 37.83 32.99 1uey s LYS 99 CO 0.00 0.11 1.26 -1.54 -0.36 0.00 0.00 175.35 174.82 1uey s SER 100 N 0.82 3.37 0.87 1.43 1.04 0.37 -4.99 113.70 116.60 1uey s SER 100 Ca 0.12 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 1uey s SER 100 Cb -0.13 -0.69 0.11 0.00 0.10 0.00 0.00 66.02 65.41 1uey s SER 100 CO 0.04 -2.59 1.10 -0.76 0.98 0.00 0.00 173.24 172.01 1uey s LEU 101 N -5.89 2.64 0.35 2.42 1.43 -1.26 -4.57 118.68 113.80 1uey s LEU 101 Ca 0.70 1.81 -0.26 0.00 -1.03 0.00 0.00 54.13 55.34 1uey s LEU 101 Cb -0.07 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.76 1uey s LEU 101 CO 0.52 -2.60 1.06 -2.16 0.23 0.00 0.00 176.35 173.41 1uey s PRO 102 N -4.82 4.35 0.84 1.29 0.04 -1.26 -4.60 135.00 130.83 1uey s PRO 102 Ca 0.64 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 1uey s PRO 102 Cb -0.19 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1uey s PRO 102 CO 0.57 -0.00 0.65 -1.13 0.04 0.00 0.00 177.00 177.14 1uey n SER 103 N 0.42 -0.98 0.00 6.66 3.41 -0.74 -4.90 113.62 117.49 1uey n SER 103 Ca 0.03 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1uey n SER 103 Cb 0.48 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 -1.80 0.00 0.00 4.33 1.02 -1.26 -4.72 120.64 118.21 1uey n GLU 104 Ca 0.10 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1uey n GLU 104 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.39 0.00 -0.76 0.62 0.00 -1.26 -5.01 120.51 112.71 1uey n ALA 105 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1uey n ALA 105 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1uey n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uey s SER 106 N 0.00 2.08 0.91 0.00 1.04 -1.12 -4.95 113.70 111.66 1uey s SER 106 Ca 0.00 1.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.97 1uey s SER 106 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1uey s SER 106 CO 0.00 -3.54 0.56 -1.84 0.98 0.00 0.00 173.24 169.40 1uey n GLU 107 N -4.49 -0.20 -2.53 4.02 0.28 -1.26 -4.63 120.64 111.83 1uey n GLU 107 Ca 0.06 -0.01 -0.41 0.00 -0.16 0.00 0.00 57.16 56.65 1uey n GLU 107 Cb 0.54 -1.95 -0.03 0.00 1.43 0.00 0.00 31.44 31.43 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1uey s GLN 108 N -3.66 3.27 -0.27 3.44 -0.21 -1.26 -4.71 119.66 116.26 1uey s GLN 108 Ca 0.60 -0.47 -0.26 0.00 0.02 0.00 0.00 55.36 55.26 1uey s GLN 108 Cb -0.24 -4.55 0.00 0.00 1.00 0.00 0.00 33.01 29.23 1uey s GLN 108 CO 0.64 -2.21 0.90 -0.47 -2.12 0.00 0.00 175.29 172.03 1uey s TYR 109 N 5.71 3.25 -0.16 0.91 6.14 -1.26 -5.03 117.35 126.93 1uey s TYR 109 Ca 0.40 1.11 -0.00 0.00 0.64 0.00 0.00 57.07 59.22 1uey s TYR 109 Cb -0.06 -3.26 -0.00 0.00 0.42 0.00 0.00 41.96 39.06 1uey s TYR 109 CO 0.08 -0.53 -0.15 -1.17 0.64 0.00 0.00 175.55 174.42 1uey s LEU 110 N 3.09 2.50 0.61 6.97 1.98 -1.26 -4.40 118.68 128.17 1uey s LEU 110 Ca 0.38 -0.47 -0.13 0.00 -2.89 0.00 0.00 54.13 51.02 1uey s LEU 110 Cb -0.14 -1.57 -0.03 0.00 0.66 0.00 0.00 46.19 45.10 1uey s LEU 110 CO 0.10 0.08 1.03 0.42 -1.89 0.00 0.00 176.35 176.09 1uey s THR 111 N 0.86 4.28 0.83 3.68 -4.23 -1.26 -4.65 115.64 115.16 1uey s THR 111 Ca -0.04 0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 61.23 1uey s THR 111 Cb -0.15 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1uey s THR 111 CO -0.01 -0.82 0.90 0.29 -0.54 0.00 0.00 174.62 174.44 1uey n LYS 112 N -2.42 0.06 -3.64 3.99 5.02 -1.26 -4.58 118.16 115.32 1uey n LYS 112 Ca 0.07 0.08 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 1uey n LYS 112 Cb 0.54 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.29 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uey s ALA 113 N -2.18 -2.04 -1.04 7.82 0.00 -1.26 -4.15 121.76 118.91 1uey s ALA 113 Ca 0.68 2.31 -0.26 0.00 0.00 0.00 0.00 51.96 54.68 1uey s ALA 113 Cb -0.28 -1.53 -0.21 0.00 0.00 0.00 0.00 23.12 21.09 1uey s ALA 113 CO 0.56 -0.36 2.04 0.45 0.00 0.00 0.00 175.76 178.45 1uey n SER 114 N 3.94 1.71 0.00 0.00 2.88 -1.26 -4.58 113.62 116.32 1uey n SER 114 Ca -0.19 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1uey n SER 114 Cb 0.58 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1uey n SER 114 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uey n GLU 115 N 8.14 0.00 -2.53 -1.46 1.02 -1.26 -5.16 120.64 119.39 1uey n GLU 115 Ca 0.42 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.20 1uey n GLU 115 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.85 1uey n GLU 115 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uey s PRO 116 N 0.00 4.08 0.00 3.49 0.04 -1.26 -4.67 135.00 136.68 1uey s PRO 116 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1uey s PRO 116 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1uey s PRO 116 CO 0.00 -0.21 0.00 -3.47 0.04 0.00 0.00 177.00 173.36 1uey n ASP 117 N -0.25 0.00 -4.10 6.66 -0.08 -1.26 -5.01 116.55 112.50 1uey n ASP 117 Ca 0.06 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.95 1uey n ASP 117 Cb 0.50 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1uey n LYS 118 N 0.00 3.15 0.00 -0.67 5.02 -1.26 -4.45 118.16 119.94 1uey n LYS 118 Ca 0.00 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.79 1uey n LYS 118 Cb 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1uey n LYS 118 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uey n ASN 119 N 2.13 0.00 -3.93 4.39 4.13 -1.26 -5.04 115.26 115.69 1uey n ASN 119 Ca 0.24 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 56.09 1uey n ASN 119 Cb 0.37 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.58 1uey n ASN 119 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1uey n PRO 120 N 0.00 2.22 -1.37 3.52 -0.04 -1.26 -4.66 135.00 133.40 1uey n PRO 120 Ca 0.00 -2.39 -0.40 0.00 -0.04 0.00 0.00 63.50 60.67 1uey n PRO 120 Cb 0.00 -3.24 0.02 0.00 -0.04 0.00 0.00 33.50 30.24 1uey n PRO 120 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1uey n THR 121 N 6.00 1.23 0.00 0.52 5.66 -1.26 -4.67 114.28 121.76 1uey n THR 121 Ca 0.50 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1uey n THR 121 Cb 0.42 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1uey n THR 121 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1uey n SER 122 N 1.56 0.00 -3.50 1.09 2.88 -1.26 -4.75 113.62 109.64 1uey n SER 122 Ca 0.10 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1uey n SER 122 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1uey n SER 122 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uey s GLY 123 N 0.00 -0.52 -0.08 0.46 0.00 -1.26 -5.07 107.32 100.85 1uey s GLY 123 Ca 0.00 1.18 -0.25 0.00 0.00 0.00 0.00 44.72 45.66 1uey s GLY 123 CO 0.00 0.68 0.91 -0.56 0.00 0.00 0.00 173.10 174.13 1uey h PRO 124 N 2.52 -0.05 -4.41 2.90 0.13 -2.06 -3.42 132.00 127.61 1uey h PRO 124 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.24 1uey h PRO 124 Cb 1.20 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.96 1uey h PRO 124 CO 0.36 0.59 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.42 1uey s SER 125 N -5.83 4.29 -0.30 1.44 1.04 -1.26 -5.05 113.70 108.04 1uey s SER 125 Ca -0.15 -1.64 -0.10 0.00 0.48 0.00 0.00 55.95 54.54 1uey s SER 125 Cb -0.01 -1.34 0.18 0.00 0.10 0.00 0.00 66.02 64.96 1uey s SER 125 CO 0.59 -0.31 0.93 -0.94 0.98 0.00 0.00 173.24 174.49 1uey s SER 126 N 1.22 -0.71 0.00 7.02 1.04 -1.26 -5.25 113.70 115.75 1uey s SER 126 Ca 0.02 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1uey s SER 126 Cb -0.19 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1uey s SER 126 CO -0.10 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.60