#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 -0.50 0.46 1.61 0.15 -1.26 -5.11 113.70 109.05 1uey s SER 2 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1uey s SER 2 Cb 0.00 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1uey s SER 2 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1uey n SER 3 N 3.44 -7.09 0.00 5.45 7.64 -1.26 -5.10 113.62 116.71 1uey n SER 3 Ca -0.17 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1uey n SER 3 Cb 0.56 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.86 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 -1.76 3.60 3.92 0.23 0.00 -1.26 -5.17 105.19 104.75 1uey n GLY 4 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1uey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uey s SER 5 N 0.00 4.97 -0.03 1.61 0.15 -1.26 -5.10 113.70 114.04 1uey s SER 5 Ca 0.00 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 1uey s SER 5 Cb 0.00 -1.33 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 1uey s SER 5 CO 0.00 -1.53 0.06 -0.55 1.20 0.00 0.00 173.24 172.42 1uey s SER 6 N -4.47 -0.01 0.00 5.45 0.15 -1.26 -5.13 113.70 108.43 1uey s SER 6 Ca 0.59 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1uey s SER 6 Cb -0.11 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1uey s SER 6 CO 0.46 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1uey n GLY 7 N 3.76 4.18 3.55 9.45 0.00 -1.26 -5.08 105.19 119.79 1uey n GLY 7 Ca -0.22 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 4.61 2.97 -0.36 1.61 0.04 -1.26 -4.91 135.00 137.69 1uey s PRO 8 Ca 0.00 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1uey s PRO 8 Cb 0.00 -4.26 0.14 0.00 0.04 0.00 0.00 34.50 30.42 1uey s PRO 8 CO 0.00 -2.37 0.21 0.95 0.04 0.00 0.00 177.00 175.84 1uey s THR 9 N 7.22 0.34 -0.05 1.26 -4.23 -1.26 -4.99 115.64 113.94 1uey s THR 9 Ca 0.52 -1.83 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 1uey s THR 9 Cb -0.11 -1.25 -0.23 0.00 1.34 0.00 0.00 72.50 72.26 1uey s THR 9 CO 0.19 -0.97 1.06 1.55 -0.54 0.00 0.00 174.62 175.91 1uey h PRO 10 N 6.99 0.17 -6.67 3.99 0.13 -2.08 -3.44 132.00 131.07 1uey h PRO 10 Ca 0.05 -0.16 -0.52 0.00 -0.87 0.00 0.00 66.00 64.49 1uey h PRO 10 Cb 0.96 0.04 0.05 0.00 0.13 0.00 0.00 31.00 32.19 1uey h PRO 10 CO 0.30 0.88 0.88 0.00 -0.23 0.00 0.00 178.00 179.82 1uey s ALA 11 N -3.26 3.77 1.00 -0.56 0.00 -1.26 -5.00 121.76 116.45 1uey s ALA 11 Ca -0.16 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1uey s ALA 11 Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1uey s ALA 11 CO 0.74 -0.83 0.00 -0.35 0.00 0.00 0.00 175.76 175.32 1uey n PRO 12 N 3.38 0.02 -3.80 0.00 -0.04 -1.26 -5.07 135.00 128.23 1uey n PRO 12 Ca 0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 1uey n PRO 12 Cb 0.38 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.68 1uey n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uey s VAL 13 N -0.65 0.80 0.00 0.52 0.11 -1.26 -5.13 120.40 114.79 1uey s VAL 13 Ca 0.00 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1uey s VAL 13 Cb 0.00 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1uey s VAL 13 CO 0.00 -0.11 0.00 -1.22 -3.33 0.00 0.00 175.10 170.44 1uey n TYR 14 N 4.95 -2.07 0.00 1.54 4.02 -1.26 -4.60 117.16 119.74 1uey n TYR 14 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1uey n TYR 14 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uey n ASP 15 N -1.92 0.00 -0.98 7.72 8.00 -1.26 -5.04 116.55 123.07 1uey n ASP 15 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1uey n ASP 15 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.44 -2.42 2.53 0.24 -1.26 -4.60 118.33 112.38 1uey n VAL 16 Ca 0.00 0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 62.34 1uey n VAL 16 Cb 0.00 -0.71 -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 -4.54 4.27 0.97 7.34 0.04 -1.25 -4.48 135.00 137.34 1uey s PRO 17 Ca 0.00 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1uey s PRO 17 Cb 0.00 -3.71 -0.10 0.00 0.04 0.00 0.00 34.50 30.74 1uey s PRO 17 CO 0.00 -0.63 -0.43 0.09 0.04 0.00 0.00 177.00 176.06 1uey n ASN 18 N 6.18 -4.82 -4.80 6.66 5.03 -0.90 -4.47 115.26 118.14 1uey n ASN 18 Ca 0.13 0.24 -0.34 0.00 0.87 0.00 0.00 54.58 55.48 1uey n ASN 18 Cb 0.45 -0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 38.29 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 -2.45 3.71 0.92 3.52 0.04 -1.26 -4.44 135.00 135.05 1uey s PRO 19 Ca 0.45 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1uey s PRO 19 Cb -0.20 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.40 1uey s PRO 19 CO 0.78 -0.50 1.14 -1.25 0.04 0.00 0.00 177.00 177.21 1uey s PRO 20 N -3.42 1.03 0.23 0.56 0.04 -1.26 -4.26 135.00 127.92 1uey s PRO 20 Ca 0.66 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 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 0.24 -2.26 0.36 1.97 0.04 0.00 0.00 177.00 177.34 1uey n PHE 21 N -3.80 -1.27 -1.47 0.56 -1.74 -0.88 -4.36 117.46 104.50 1uey n PHE 21 Ca 0.07 -1.42 -0.16 0.00 -0.56 0.00 0.00 57.45 55.38 1uey n PHE 21 Cb 0.59 0.41 -0.07 0.00 1.52 0.00 0.00 39.48 41.93 1uey n PHE 21 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1uey n ASP 22 N -1.70 -4.22 -4.30 5.98 -0.08 -1.26 -2.96 116.55 108.02 1uey n ASP 22 Ca -0.01 0.39 -0.39 0.00 -1.51 0.00 0.00 54.79 53.28 1uey n ASP 22 Cb 0.37 -3.84 0.02 0.00 2.34 0.00 0.00 41.12 40.02 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 -2.06 -2.63 -3.86 -2.67 4.32 -1.26 -4.83 117.00 104.00 1uey n LEU 23 Ca -0.16 0.66 -0.09 0.00 -0.02 0.00 0.00 56.01 56.40 1uey n LEU 23 Cb 0.53 -0.93 -0.05 0.00 -1.62 0.00 0.00 43.42 41.35 1uey n LEU 23 CO 0.24 -4.39 0.21 -1.61 -1.22 0.00 0.00 177.39 170.62 1uey s GLU 24 N -1.30 1.42 -0.25 3.23 2.02 0.07 -4.93 118.70 118.96 1uey s GLU 24 Ca 0.59 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1uey s GLU 24 Cb -0.48 0.49 0.08 0.00 0.10 0.00 0.00 34.13 34.32 1uey s GLU 24 CO 0.64 -0.59 0.06 -0.51 0.02 0.00 0.00 175.26 174.88 1uey s LEU 25 N -2.94 1.69 -0.04 1.80 1.43 -1.26 -1.72 118.68 117.65 1uey s LEU 25 Ca 0.15 -1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1uey s LEU 25 Cb -0.01 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1uey s LEU 25 CO 0.02 -0.36 0.11 0.42 0.23 0.00 0.00 176.35 176.77 1uey s THR 26 N 1.74 -0.00 0.01 5.49 -4.23 -0.86 -5.01 115.64 112.77 1uey s THR 26 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1uey s THR 26 Cb -0.17 -0.16 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 1uey s THR 26 CO -0.17 0.00 0.01 -0.90 -0.54 0.00 0.00 174.62 173.02 1uey n ASP 27 N 3.10 -0.02 0.00 3.99 5.75 -1.26 -3.17 116.55 124.93 1uey n ASP 27 Ca -0.13 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1uey n ASP 27 Cb 0.59 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 -0.01 0.00 0.00 0.11 10.64 -1.26 -4.99 117.38 121.86 1uey n GLN 28 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1uey n GLN 28 Cb 0.01 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.39 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 0.00 0.00 0.00 2.61 0.00 -1.26 -5.11 117.00 113.24 1uey n LEU 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1uey n LEU 29 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.31 1uey n LEU 29 CO 0.00 -0.20 0.00 0.47 0.00 0.00 0.00 177.39 177.66 1uey n ASP 30 N -1.77 0.00 -2.75 1.96 9.92 -1.26 -4.98 116.55 117.66 1uey n ASP 30 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1uey n ASP 30 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 3.27 -3.06 -1.24 4.01 -1.26 -4.90 118.16 114.97 1uey n LYS 31 Ca 0.00 -4.68 0.04 0.00 -0.51 0.00 0.00 58.31 53.16 1uey n LYS 31 Cb 0.00 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 32.30 1uey n LYS 31 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1uey s SER 32 N -3.49 -0.62 0.21 4.39 1.04 -1.26 -4.97 113.70 109.00 1uey s SER 32 Ca 0.48 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.60 1uey s SER 32 Cb 0.33 1.21 -0.09 0.00 0.10 0.00 0.00 66.02 67.58 1uey s SER 32 CO -0.16 -0.10 0.85 0.54 0.98 0.00 0.00 173.24 175.36 1uey s VAL 33 N 2.63 4.24 -0.18 5.02 0.11 -1.22 -4.55 120.40 126.46 1uey s VAL 33 Ca 0.22 1.85 -0.08 0.00 -2.93 0.00 0.00 61.98 61.04 1uey s VAL 33 Cb -0.02 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 1uey s VAL 33 CO -0.20 0.47 0.08 -1.58 -3.33 0.00 0.00 175.10 170.54 1uey s GLN 34 N -1.27 3.96 -0.31 1.54 0.74 -1.19 0.20 119.66 123.33 1uey s GLN 34 Ca 0.39 -0.30 -0.12 0.00 0.05 0.00 0.00 55.36 55.38 1uey s GLN 34 Cb -0.24 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1uey s GLN 34 CO 0.28 0.33 0.22 -1.17 -0.55 0.00 0.00 175.29 174.40 1uey s LEU 35 N 0.22 4.29 -0.23 3.68 2.96 0.14 -2.03 118.68 127.71 1uey s LEU 35 Ca 0.05 -0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 1uey s LEU 35 Cb -0.12 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1uey s LEU 35 CO -0.00 -0.15 0.25 -0.94 -1.32 0.00 0.00 176.35 174.19 1uey s SER 36 N 1.74 6.23 0.23 3.68 1.04 -0.70 -2.51 113.70 123.40 1uey s SER 36 Ca 0.06 0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.81 1uey s SER 36 Cb -0.17 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1uey s SER 36 CO 0.11 0.00 -0.09 -1.66 0.98 0.00 0.00 173.24 172.57 1uey s TRP 37 N 1.21 1.73 -0.24 5.02 -2.14 -1.02 -0.75 118.94 122.76 1uey s TRP 37 Ca 0.12 -0.68 0.02 0.00 2.66 0.00 0.00 56.10 58.22 1uey s TRP 37 Cb -0.14 -0.90 0.06 0.00 -3.10 0.00 0.00 33.47 29.39 1uey s TRP 37 CO 0.06 0.26 -0.10 0.99 -2.66 0.00 0.00 176.95 175.50 1uey s THR 38 N -3.07 1.91 -0.43 0.66 2.01 -1.16 -4.82 115.64 110.74 1uey s THR 38 Ca 0.25 -1.41 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 1uey s THR 38 Cb 0.02 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1uey s THR 38 CO 0.08 -0.01 1.42 -2.16 -0.69 0.00 0.00 174.62 173.27 1uey s PRO 39 N 1.23 3.54 0.00 4.92 0.04 -1.26 -2.07 135.00 141.40 1uey s PRO 39 Ca -0.07 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1uey s PRO 39 Cb -0.19 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1uey s PRO 39 CO -0.06 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1uey n GLY 40 N 5.11 -1.47 3.64 0.56 0.00 -1.26 -4.96 105.19 106.81 1uey n GLY 40 Ca 0.16 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.52 2.52 -0.01 1.61 1.11 -1.26 -4.86 116.67 114.26 1uey s ASP 41 Ca 0.00 2.08 0.08 0.00 0.18 0.00 0.00 52.55 54.89 1uey s ASP 41 Cb 0.00 -2.53 -0.12 0.00 1.07 0.00 0.00 42.92 41.35 1uey s ASP 41 CO 0.00 -3.33 0.26 0.47 1.18 0.00 0.00 175.17 173.75 1uey n ASP 42 N -4.38 1.88 -3.07 0.27 8.00 -1.26 -2.12 116.55 115.87 1uey n ASP 42 Ca 0.10 -0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 1uey n ASP 42 Cb 0.52 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 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 -1.54 -7.72 0.00 -2.24 5.03 -1.26 -3.25 115.26 104.28 1uey n ASN 43 Ca -0.00 -0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.34 1uey n ASN 43 Cb 0.18 -5.30 0.00 0.00 -1.02 0.00 0.00 39.78 33.65 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 -1.86 0.00 -4.64 6.41 3.02 -1.26 -4.21 115.26 112.71 1uey n ASN 44 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1uey n ASN 44 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.65 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 6.60 0.21 6.41 0.01 -1.20 -4.98 113.70 120.75 1uey s SER 45 Ca 0.00 1.65 -0.30 0.00 1.31 0.00 0.00 55.95 58.61 1uey s SER 45 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1uey s SER 45 CO 0.00 -1.06 1.11 -2.16 0.41 0.00 0.00 173.24 171.53 1uey s PRO 46 N 4.22 4.60 0.35 12.44 0.04 -1.26 -4.54 135.00 150.85 1uey s PRO 46 Ca 0.65 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 1uey s PRO 46 Cb -0.24 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 30.92 1uey s PRO 46 CO 0.25 0.10 0.84 1.51 0.04 0.00 0.00 177.00 179.75 1uey n ILE 47 N 2.04 2.04 0.00 0.56 0.00 -1.26 -4.56 119.36 118.18 1uey n ILE 47 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.27 1uey n ILE 47 Cb 0.46 -0.82 0.00 0.00 0.00 0.00 0.00 39.64 39.27 1uey n ILE 47 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1uey n THR 48 N -0.26 0.00 -3.86 9.51 -2.24 -0.55 -4.60 114.28 112.27 1uey n THR 48 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1uey n THR 48 Cb 0.35 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.87 0.78 -0.28 -0.78 2.20 -0.83 0.19 119.74 119.14 1uey s LYS 49 Ca 0.00 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.74 1uey s LYS 49 Cb 0.00 0.32 0.09 0.00 -1.51 0.00 0.00 37.83 36.72 1uey s LYS 49 CO 0.00 -0.23 0.09 -0.06 -0.36 0.00 0.00 175.35 174.78 1uey s PHE 50 N -3.39 1.29 0.38 4.03 0.08 -0.63 -1.14 117.98 118.59 1uey s PHE 50 Ca 0.01 -1.35 -0.07 0.00 0.12 0.00 0.00 56.93 55.64 1uey s PHE 50 Cb 0.03 -1.39 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1uey s PHE 50 CO -0.08 -0.80 0.68 0.42 -0.10 0.00 0.00 175.22 175.34 1uey s ILE 51 N 1.76 4.91 0.14 0.64 1.01 -0.60 -1.59 121.20 127.48 1uey s ILE 51 Ca 0.07 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.02 1uey s ILE 51 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1uey s ILE 51 CO -0.23 -0.52 -0.09 -0.63 0.00 0.00 0.00 174.94 173.47 1uey s ILE 52 N -2.35 1.06 0.21 2.92 1.01 0.14 0.22 121.20 124.41 1uey s ILE 52 Ca 0.47 -2.04 -0.15 0.00 0.00 0.00 0.00 60.65 58.94 1uey s ILE 52 Cb -0.10 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1uey s ILE 52 CO 0.34 -0.74 0.47 -1.61 0.00 0.00 0.00 174.94 173.41 1uey s GLU 53 N -3.78 1.41 0.00 2.79 2.02 0.84 -2.01 118.70 119.98 1uey s GLU 53 Ca 0.17 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 53.96 1uey s GLU 53 Cb 0.03 0.48 0.02 0.00 0.10 0.00 0.00 34.13 34.77 1uey s GLU 53 CO 0.00 -0.58 0.32 1.52 0.02 0.00 0.00 175.26 176.54 1uey s TYR 54 N -3.94 -0.17 -0.05 1.61 -0.85 -1.05 0.16 117.35 113.06 1uey s TYR 54 Ca 0.15 0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.96 1uey s TYR 54 Cb -0.00 0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 1uey s TYR 54 CO 0.02 -0.43 -0.24 -1.83 -1.52 0.00 0.00 175.55 171.55 1uey s GLU 55 N -1.68 2.48 -0.76 -3.49 -1.05 -1.24 -0.43 118.70 112.54 1uey s GLU 55 Ca -0.11 -0.88 -0.25 0.00 -0.15 0.00 0.00 54.97 53.57 1uey s GLU 55 Cb -0.04 -2.17 0.05 0.00 -0.44 0.00 0.00 34.13 31.52 1uey s GLU 55 CO 0.02 0.44 1.22 0.34 0.95 0.00 0.00 175.26 178.23 1uey s ASP 56 N -0.29 6.21 -0.05 0.83 2.15 -1.22 -2.47 116.67 121.83 1uey s ASP 56 Ca 0.00 -0.74 0.07 0.00 0.43 0.00 0.00 52.55 52.32 1uey s ASP 56 Cb -0.13 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.28 1uey s ASP 56 CO 0.02 -1.68 1.11 0.00 -0.17 0.00 0.00 175.17 174.45 1uey n ALA 57 N 8.84 2.79 -0.04 3.66 0.00 -0.85 -1.10 120.51 133.80 1uey n ALA 57 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 52.84 1uey n ALA 57 Cb 0.48 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 1uey n ALA 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1uey n MET 58 N 0.32 0.83 0.04 0.00 0.00 -1.23 -4.78 117.12 112.29 1uey n MET 58 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1uey n MET 58 Cb 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.24 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 -2.36 -0.56 -3.80 1.12 8.25 -1.22 -5.01 115.22 111.64 1uey n HIS 59 Ca -0.14 0.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 1uey n HIS 59 Cb 0.73 0.38 -0.11 0.00 1.12 0.00 0.00 29.99 32.11 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 -1.30 2.31 0.30 -0.41 -0.14 -0.96 -5.08 119.74 114.46 1uey s LYS 60 Ca 0.00 -2.45 -0.29 0.00 -1.36 0.00 0.00 55.97 51.88 1uey s LYS 60 Cb 0.00 -3.59 -0.09 0.00 -1.68 0.00 0.00 37.83 32.47 1uey s LYS 60 CO 0.00 -1.14 1.07 -1.25 -0.76 0.00 0.00 175.35 173.28 1uey s PRO 61 N 0.05 4.58 0.00 -1.68 0.04 -0.26 -3.20 135.00 134.54 1uey s PRO 61 Ca 0.16 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1uey s PRO 61 Cb -0.22 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1uey s PRO 61 CO -0.03 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1uey n GLY 62 N 1.08 3.04 3.55 0.56 0.00 -1.26 -4.98 105.19 107.18 1uey n GLY 62 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.26 0.32 0.99 2.96 -1.19 -4.93 118.68 120.09 1uey s LEU 63 Ca 0.00 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.72 1uey s LEU 63 Cb 0.00 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.06 1uey s LEU 63 CO 0.00 -2.36 0.79 0.26 -1.32 0.00 0.00 176.35 173.73 1uey s TRP 64 N 8.74 3.44 0.16 5.38 0.52 -1.26 -3.43 118.94 132.50 1uey s TRP 64 Ca 0.63 1.37 0.04 0.00 0.02 0.00 0.00 56.10 58.17 1uey s TRP 64 Cb -0.10 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.52 1uey s TRP 64 CO 0.15 0.11 -0.07 -1.01 0.02 0.00 0.00 176.95 176.15 1uey s HIS 65 N -1.91 1.30 -0.19 -1.98 3.76 0.42 -4.91 115.29 111.79 1uey s HIS 65 Ca 0.53 -0.82 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 1uey s HIS 65 Cb -0.12 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 1uey s HIS 65 CO 0.18 0.02 1.25 -1.58 -0.85 0.00 0.00 174.74 173.76 1uey s HIS 66 N -3.39 2.87 0.00 1.40 2.46 -1.26 -2.53 115.29 114.83 1uey s HIS 66 Ca 0.19 1.03 0.00 0.00 0.47 0.00 0.00 55.06 56.75 1uey s HIS 66 Cb 0.04 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.95 1uey s HIS 66 CO 0.02 -1.60 0.00 0.94 -2.47 0.00 0.00 174.74 171.63 1uey n GLN 67 N 6.68 0.00 -3.73 2.88 7.27 -0.85 -4.96 117.38 124.66 1uey n GLN 67 Ca 0.14 0.04 -0.03 0.00 0.07 0.00 0.00 57.00 57.22 1uey n GLN 67 Cb 0.45 -0.29 -0.01 0.00 2.41 0.00 0.00 30.24 32.80 1uey n GLN 67 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1uey s THR 68 N -0.35 0.00 0.15 1.69 -1.32 -1.24 -5.00 115.64 109.57 1uey s THR 68 Ca 0.00 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.84 1uey s THR 68 Cb 0.00 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 1uey s THR 68 CO 0.00 0.00 0.14 -1.83 -2.21 0.00 0.00 174.62 170.72 1uey s GLU 69 N -3.17 1.03 0.20 7.08 4.04 -1.26 0.24 118.70 126.86 1uey s GLU 69 Ca 0.12 -1.37 0.03 0.00 0.04 0.00 0.00 54.97 53.80 1uey s GLU 69 Cb -0.01 0.29 -0.01 0.00 0.02 0.00 0.00 34.13 34.42 1uey s GLU 69 CO 0.01 -0.33 0.19 1.33 -1.84 0.00 0.00 175.26 174.63 1uey n VAL 70 N -0.15 0.00 -0.85 1.83 0.24 -0.62 -4.95 118.33 113.82 1uey n VAL 70 Ca -0.05 -1.38 -0.29 0.00 -2.04 0.00 0.00 64.34 60.58 1uey n VAL 70 Cb 0.64 0.72 0.23 0.00 -1.47 0.00 0.00 33.84 33.95 1uey n VAL 70 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1uey s SER 71 N -2.38 1.17 -0.04 -1.34 0.15 -1.26 -1.61 113.70 108.39 1uey s SER 71 Ca 0.23 1.09 0.05 0.00 0.70 0.00 0.00 55.95 58.01 1uey s SER 71 Cb 0.01 -1.66 0.21 0.00 -1.71 0.00 0.00 66.02 62.86 1uey s SER 71 CO 0.16 -4.02 0.96 0.61 1.20 0.00 0.00 173.24 172.15 1uey n GLY 72 N -0.15 1.13 0.00 9.45 0.00 0.49 -3.02 105.19 113.09 1uey n GLY 72 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 0.00 -2.78 2.61 -1.04 -1.26 -4.53 114.28 107.42 1uey n THR 73 Ca 0.07 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.05 61.49 1uey n THR 73 Cb 0.37 1.25 0.02 0.00 -1.82 0.00 0.00 70.33 70.15 1uey n THR 73 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1uey s GLN 74 N -0.12 3.07 0.00 -2.82 -1.52 -1.17 -5.01 119.66 112.09 1uey s GLN 74 Ca 0.00 -0.27 0.00 0.00 -1.95 0.00 0.00 55.36 53.14 1uey s GLN 74 Cb 0.00 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1uey s GLN 74 CO 0.00 -0.39 0.58 0.25 -0.25 0.00 0.00 175.29 175.48 1uey n THR 75 N -2.25 0.00 -3.66 -0.19 -2.24 -1.26 -4.95 114.28 99.73 1uey n THR 75 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1uey n THR 75 Cb 0.57 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.50 0.03 4.28 -4.23 -1.26 -2.43 115.64 111.53 1uey s THR 76 Ca 0.00 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1uey s THR 76 Cb 0.00 -0.80 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 1uey s THR 76 CO 0.00 0.03 -0.09 0.00 -0.54 0.00 0.00 174.62 174.02 1uey s ALA 77 N 2.28 0.76 -0.07 3.99 0.00 -1.05 -4.91 121.76 122.76 1uey s ALA 77 Ca -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1uey s ALA 77 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1uey s ALA 77 CO -0.16 0.11 1.08 -0.65 0.00 0.00 0.00 175.76 176.14 1uey s GLN 78 N -1.00 4.41 -0.25 0.00 -0.21 -1.26 0.23 119.66 121.58 1uey s GLN 78 Ca -0.02 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.77 1uey s GLN 78 Cb -0.07 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1uey s GLN 78 CO 0.01 -0.33 0.14 -0.51 -2.12 0.00 0.00 175.29 172.47 1uey s LEU 79 N 1.94 3.89 -0.48 2.90 1.43 0.54 -4.94 118.68 123.97 1uey s LEU 79 Ca 0.52 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 1uey s LEU 79 Cb -0.21 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1uey s LEU 79 CO 0.21 0.01 1.02 0.20 0.23 0.00 0.00 176.35 178.01 1uey s ASN 80 N 1.38 6.53 0.10 2.29 -0.87 -1.26 -3.39 114.94 119.72 1uey s ASN 80 Ca 0.06 0.21 0.03 0.00 -1.57 0.00 0.00 52.86 51.59 1uey s ASN 80 Cb -0.15 -2.49 -0.04 0.00 -0.02 0.00 0.00 41.25 38.55 1uey s ASN 80 CO 0.06 -1.16 0.10 -0.76 -2.57 0.00 0.00 177.10 172.77 1uey s LEU 81 N 4.09 3.85 0.23 0.60 1.43 -1.26 -5.11 118.68 122.51 1uey s LEU 81 Ca 0.41 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1uey s LEU 81 Cb -0.09 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1uey s LEU 81 CO 0.28 0.15 -0.16 -0.44 0.23 0.00 0.00 176.35 176.40 1uey s SER 82 N -2.55 2.94 0.30 2.29 0.01 -1.26 -5.07 113.70 110.36 1uey s SER 82 Ca 0.30 -1.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 1uey s SER 82 Cb -0.12 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.82 1uey s SER 82 CO 0.23 -0.09 1.07 -2.16 0.41 0.00 0.00 173.24 172.70 1uey s PRO 83 N -3.60 4.56 -1.16 12.44 0.04 -1.26 -3.37 135.00 142.65 1uey s PRO 83 Ca 0.25 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1uey s PRO 83 Cb -0.02 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1uey s PRO 83 CO 0.10 0.17 0.69 0.66 0.04 0.00 0.00 177.00 178.65 1uey n TYR 84 N 0.95 -1.88 -3.56 0.56 4.01 -1.26 -5.00 117.16 110.98 1uey n TYR 84 Ca 0.00 0.59 -0.23 0.00 -0.16 0.00 0.00 57.90 58.09 1uey n TYR 84 Cb 0.46 -3.97 -0.15 0.00 -0.31 0.00 0.00 39.34 35.37 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 -3.14 -0.17 -0.01 -0.72 1.01 -1.22 -5.09 120.40 111.06 1uey s VAL 85 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1uey s VAL 85 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1uey s VAL 85 CO 0.42 -0.28 0.15 0.21 0.00 0.00 0.00 175.10 175.61 1uey s ASN 86 N 2.20 6.18 -0.09 3.32 2.47 -1.26 -4.61 114.94 123.14 1uey s ASN 86 Ca 0.04 0.30 -0.32 0.00 0.42 0.00 0.00 52.86 53.30 1uey s ASN 86 Cb -0.16 -1.90 0.13 0.00 -1.45 0.00 0.00 41.25 37.87 1uey s ASN 86 CO -0.11 0.27 1.41 -0.72 -3.72 0.00 0.00 177.10 174.23 1uey s TYR 87 N -1.27 -0.00 0.44 0.43 -0.85 -1.25 -2.01 117.35 112.83 1uey s TYR 87 Ca 0.25 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.83 1uey s TYR 87 Cb -0.12 0.50 0.03 0.00 0.38 0.00 0.00 41.96 42.75 1uey s TYR 87 CO 0.17 -0.02 0.28 -1.13 -1.52 0.00 0.00 175.55 173.33 1uey n SER 88 N -0.71 2.53 -3.76 -0.18 3.41 -1.03 -3.88 113.62 109.99 1uey n SER 88 Ca -0.03 -2.57 -0.21 0.00 -0.26 0.00 0.00 58.87 55.80 1uey n SER 88 Cb 0.62 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.25 0.50 -0.07 7.33 0.08 -1.26 -3.63 117.98 118.68 1uey s PHE 89 Ca 0.21 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.26 1uey s PHE 89 Cb -0.02 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 1uey s PHE 89 CO 0.14 -0.26 -0.23 -0.98 -0.10 0.00 0.00 175.22 173.78 1uey s ARG 90 N 1.82 2.73 -0.04 0.44 1.70 0.12 -2.98 118.95 122.75 1uey s ARG 90 Ca 0.02 -0.87 -0.02 0.00 -0.47 0.00 0.00 55.73 54.39 1uey s ARG 90 Cb -0.12 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1uey s ARG 90 CO -0.04 0.34 0.08 0.08 -1.08 0.00 0.00 175.30 174.68 1uey s VAL 91 N -0.04 4.81 0.14 4.99 1.01 -1.26 -0.11 120.40 129.93 1uey s VAL 91 Ca -0.07 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1uey s VAL 91 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1uey s VAL 91 CO 0.05 0.44 -0.17 -0.04 0.00 0.00 0.00 175.10 175.39 1uey s MET 92 N -1.46 1.15 -0.12 2.72 -1.94 0.60 0.18 119.30 120.44 1uey s MET 92 Ca 0.20 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.89 1uey s MET 92 Cb -0.12 -1.16 0.01 0.00 2.01 0.00 0.00 34.83 35.57 1uey s MET 92 CO 0.10 0.24 -0.17 0.00 -0.01 0.00 0.00 175.02 175.18 1uey s ALA 93 N -1.97 1.83 -0.07 3.03 0.00 -1.26 -1.56 121.76 121.76 1uey s ALA 93 Ca 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1uey s ALA 93 Cb -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1uey s ALA 93 CO 0.05 -0.08 -0.22 0.08 0.00 0.00 0.00 175.76 175.58 1uey s VAL 94 N 0.98 2.27 0.00 0.00 1.01 -0.30 -0.21 120.40 124.15 1uey s VAL 94 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1uey s VAL 94 Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1uey s VAL 94 CO -0.02 0.57 0.00 -0.46 0.00 0.00 0.00 175.10 175.18 1uey n ASN 95 N 3.05 0.77 -0.16 3.32 0.23 -0.40 -1.48 115.26 120.59 1uey n ASN 95 Ca -0.18 -0.71 0.14 0.00 -0.53 0.00 0.00 54.58 53.30 1uey n ASN 95 Cb 0.52 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.71 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 0.41 0.00 0.53 0.02 -1.90 -3.07 113.55 109.54 1uey h SER 96 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1uey h SER 96 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1uey h SER 96 CO 0.00 0.22 0.00 -0.38 -1.14 0.00 0.00 176.83 175.53 1uey n ILE 97 N -4.48 0.00 -2.40 3.27 2.08 -1.26 -5.06 119.36 111.51 1uey n ILE 97 Ca 0.14 0.82 0.00 0.00 0.56 0.00 0.00 62.75 64.26 1uey n ILE 97 Cb 0.48 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 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 0.42 1.86 3.65 7.39 0.00 -1.16 -5.01 105.19 112.34 1uey n GLY 98 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 1.12 4.09 1.03 1.61 2.20 -1.26 -1.28 119.74 127.24 1uey s LYS 99 Ca 0.00 -0.08 -0.16 0.00 -0.36 0.00 0.00 55.97 55.37 1uey s LYS 99 Cb 0.00 -3.56 0.21 0.00 -1.51 0.00 0.00 37.83 32.97 1uey s LYS 99 CO 0.00 -0.03 1.18 -1.54 -0.36 0.00 0.00 175.35 174.60 1uey s SER 100 N 1.18 2.44 0.79 1.43 1.04 0.71 -4.99 113.70 116.30 1uey s SER 100 Ca 0.12 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 1uey s SER 100 Cb -0.14 -0.92 0.07 0.00 0.10 0.00 0.00 66.02 65.12 1uey s SER 100 CO 0.07 -3.18 1.13 -0.76 0.98 0.00 0.00 173.24 171.47 1uey s LEU 101 N -6.32 3.07 0.32 2.42 2.01 -1.26 -4.54 118.68 114.37 1uey s LEU 101 Ca 0.70 2.03 -0.28 0.00 0.01 0.00 0.00 54.13 56.59 1uey s LEU 101 Cb -0.10 -4.55 -0.09 0.00 0.01 0.00 0.00 46.19 41.46 1uey s LEU 101 CO 0.54 -2.33 1.07 -2.16 1.01 0.00 0.00 176.35 174.48 1uey s PRO 102 N -4.58 4.49 0.63 1.29 0.04 -1.26 -4.58 135.00 131.03 1uey s PRO 102 Ca 0.65 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1uey s PRO 102 Cb -0.21 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 1uey s PRO 102 CO 0.53 0.11 0.25 -1.13 0.04 0.00 0.00 177.00 176.80 1uey n SER 103 N 0.77 -2.17 0.00 6.66 3.41 0.13 -4.85 113.62 117.56 1uey n SER 103 Ca 0.01 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1uey n SER 103 Cb 0.47 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 0.37 0.00 0.00 4.33 1.02 -1.26 -4.67 120.64 120.43 1uey n GLU 104 Ca 0.09 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1uey n GLU 104 Cb 0.49 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 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 -1.31 0.00 -0.72 0.62 0.00 -1.26 -5.02 120.51 112.82 1uey n ALA 105 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1uey n ALA 105 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1uey n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey n SER 106 N 0.00 -2.43 -4.81 0.00 2.88 -1.16 -4.96 113.62 103.15 1uey n SER 106 Ca 0.00 -0.29 -0.30 0.00 -1.33 0.00 0.00 58.87 56.95 1uey n SER 106 Cb 0.00 -0.39 0.08 0.00 -0.75 0.00 0.00 64.21 63.16 1uey n SER 106 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uey s GLU 107 N -3.11 2.27 -0.78 -1.46 0.41 -1.26 -4.75 118.70 110.02 1uey s GLU 107 Ca 0.22 0.70 -0.23 0.00 -0.41 0.00 0.00 54.97 55.25 1uey s GLU 107 Cb -0.04 -1.94 0.07 0.00 -1.78 0.00 0.00 34.13 30.44 1uey s GLU 107 CO 0.18 -1.50 1.15 -0.65 -0.49 0.00 0.00 175.26 173.96 1uey s GLN 108 N -5.14 3.29 -0.48 1.61 -0.21 -1.26 -4.62 119.66 112.86 1uey s GLN 108 Ca 0.60 -0.88 -0.24 0.00 0.02 0.00 0.00 55.36 54.86 1uey s GLN 108 Cb -0.14 -4.52 0.03 0.00 1.00 0.00 0.00 33.01 29.38 1uey s GLN 108 CO 0.54 -1.96 0.85 -0.47 -2.12 0.00 0.00 175.29 172.14 1uey s TYR 109 N 4.42 2.93 -0.38 0.91 6.14 -1.25 -5.00 117.35 125.11 1uey s TYR 109 Ca 0.31 0.16 -0.08 0.00 0.64 0.00 0.00 57.07 58.10 1uey s TYR 109 Cb -0.10 -3.84 0.06 0.00 0.42 0.00 0.00 41.96 38.51 1uey s TYR 109 CO 0.05 -1.10 0.19 -1.17 0.64 0.00 0.00 175.55 174.15 1uey s LEU 110 N 3.54 4.78 1.23 6.97 2.96 -1.26 -4.44 118.68 132.46 1uey s LEU 110 Ca 0.31 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.73 1uey s LEU 110 Cb -0.12 -1.93 0.31 0.00 0.50 0.00 0.00 46.19 44.95 1uey s LEU 110 CO 0.23 -0.44 1.00 0.42 -1.32 0.00 0.00 176.35 176.24 1uey s THR 111 N 1.41 1.82 0.05 3.68 -4.23 -1.26 -5.03 115.64 112.07 1uey s THR 111 Ca 0.01 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1uey s THR 111 Cb -0.21 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1uey s THR 111 CO 0.02 0.00 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.44 1uey s LYS 112 N -4.62 2.24 -0.36 3.99 1.02 -1.26 -4.76 119.74 115.99 1uey s LYS 112 Ca 0.68 -0.91 0.14 0.00 0.02 0.00 0.00 55.97 55.90 1uey s LYS 112 Cb -0.22 -2.32 0.45 0.00 -0.52 0.00 0.00 37.83 35.22 1uey s LYS 112 CO 0.63 0.55 1.00 0.00 -0.92 0.00 0.00 175.35 176.61 1uey n ALA 113 N 1.31 3.96 -2.85 5.17 0.00 -1.26 -4.84 120.51 122.00 1uey n ALA 113 Ca -0.15 -3.53 -0.11 0.00 0.00 0.00 0.00 53.44 49.65 1uey n ALA 113 Cb 0.52 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.20 -3.16 0.00 0.00 2.88 -1.26 -5.02 113.62 106.86 1uey n SER 114 Ca 0.19 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1uey n SER 114 Cb 0.77 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.61 1uey n SER 114 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uey n GLU 115 N -2.93 0.00 -1.55 -1.46 2.13 -1.26 -5.17 120.64 110.40 1uey n GLU 115 Ca -0.14 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.38 1uey n GLU 115 Cb 0.60 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.40 1uey n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1uey s PRO 116 N 0.00 2.08 0.00 5.31 0.04 -1.26 -4.91 135.00 136.26 1uey s PRO 116 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1uey s PRO 116 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1uey s PRO 116 CO 0.00 -1.62 0.00 -0.40 0.04 0.00 0.00 177.00 175.02 1uey n ASP 117 N -3.44 0.00 -4.17 6.66 5.75 -1.26 -5.06 116.55 115.04 1uey n ASP 117 Ca 0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.41 1uey n ASP 117 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1uey n ASP 117 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1uey n LYS 118 N -0.54 3.87 -1.46 0.11 3.00 -1.26 -4.96 118.16 116.93 1uey n LYS 118 Ca 0.00 -4.26 0.18 0.00 -0.00 0.00 0.00 58.31 54.22 1uey n LYS 118 Cb 0.00 -2.67 -0.09 0.00 0.00 0.00 0.00 35.03 32.27 1uey n LYS 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1uey n ASN 119 N 2.81 -7.94 -4.61 3.14 4.13 -1.26 -4.61 115.26 106.91 1uey n ASN 119 Ca 0.29 1.41 -0.43 0.00 1.68 0.00 0.00 54.58 57.53 1uey n ASN 119 Cb 0.37 -4.97 -0.02 0.00 -1.54 0.00 0.00 39.78 33.61 1uey n ASN 119 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1uey s PRO 120 N -4.23 3.72 0.20 3.52 0.04 -1.26 -4.95 135.00 132.04 1uey s PRO 120 Ca 0.00 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 1uey s PRO 120 Cb 0.00 -3.97 -0.17 0.00 0.04 0.00 0.00 34.50 30.40 1uey s PRO 120 CO 0.00 -1.38 0.70 -2.37 0.04 0.00 0.00 177.00 173.99 1uey n THR 121 N 6.71 1.75 -2.27 1.26 5.66 -1.26 -4.05 114.28 122.07 1uey n THR 121 Ca 0.16 -0.44 -0.03 0.00 -3.05 0.00 0.00 64.05 60.69 1uey n THR 121 Cb 0.47 -0.24 -0.02 0.00 -1.55 0.00 0.00 70.33 68.99 1uey n THR 121 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1uey n SER 122 N 1.81 -2.36 -3.55 1.09 7.64 -1.26 -5.09 113.62 111.90 1uey n SER 122 Ca 0.16 0.94 -0.16 0.00 1.01 0.00 0.00 58.87 60.83 1uey n SER 122 Cb 0.25 -3.94 -0.06 0.00 -1.01 0.00 0.00 64.21 59.45 1uey n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uey s GLY 123 N -0.65 -0.50 -0.29 0.23 0.00 -1.26 -5.12 107.32 99.73 1uey s GLY 123 Ca -0.14 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 1uey s GLY 123 CO 0.55 0.65 1.34 2.56 0.00 0.00 0.00 173.10 178.20 1uey s PRO 124 N -1.72 3.90 0.00 2.90 0.04 -1.26 -4.93 135.00 133.92 1uey s PRO 124 Ca -0.09 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1uey s PRO 124 Cb -0.01 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1uey s PRO 124 CO 0.05 -1.14 0.00 -1.13 0.04 0.00 0.00 177.00 174.81 1uey n SER 125 N 7.74 0.00 -4.31 6.66 3.41 -1.26 -5.05 113.62 120.81 1uey n SER 125 Ca 0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.48 1uey n SER 125 Cb 0.46 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.68 1uey n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uey s SER 126 N 0.00 0.38 0.00 4.04 1.04 -1.26 -5.24 113.70 112.66 1uey s SER 126 Ca 0.00 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1uey s SER 126 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1uey s SER 126 CO 0.00 -4.55 0.00 0.61 0.98 0.00 0.00 173.24 170.28