#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 1.87 -0.30 1.61 0.01 -1.26 -5.06 113.70 110.58 1uey s SER 2 Ca 0.00 1.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.61 1uey s SER 2 Cb 0.00 -2.12 0.16 0.00 0.21 0.00 0.00 66.02 64.27 1uey s SER 2 CO 0.00 -3.63 0.62 -0.44 0.41 0.00 0.00 173.24 170.20 1uey s SER 3 N -2.97 -1.22 0.29 2.44 0.01 -1.26 -5.17 113.70 105.83 1uey s SER 3 Ca 0.67 1.22 0.02 0.00 1.31 0.00 0.00 55.95 59.16 1uey s SER 3 Cb -0.22 2.20 -0.01 0.00 0.21 0.00 0.00 66.02 68.21 1uey s SER 3 CO 0.61 -0.24 0.35 0.61 0.41 0.00 0.00 173.24 174.98 1uey n GLY 4 N 5.44 2.59 3.60 3.44 0.00 -1.26 -5.18 105.19 113.82 1uey n GLY 4 Ca -0.07 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.91 -0.19 0.44 1.61 0.15 -1.26 -5.16 113.70 106.38 1uey s SER 5 Ca 0.29 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1uey s SER 5 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1uey s SER 5 CO 0.20 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.20 1uey n SER 6 N 0.46 -6.94 0.00 5.45 2.88 -1.26 -5.08 113.62 109.13 1uey n SER 6 Ca -0.04 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1uey n SER 6 Cb 0.58 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1uey n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uey n GLY 7 N -3.98 1.77 3.65 0.46 0.00 -1.26 -5.08 105.19 100.75 1uey n GLY 7 Ca -0.05 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.16 4.09 -0.30 1.61 0.04 -1.26 -4.96 135.00 134.06 1uey s PRO 8 Ca 0.00 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 1uey s PRO 8 Cb 0.00 -3.83 0.18 0.00 0.04 0.00 0.00 34.50 30.90 1uey s PRO 8 CO 0.00 -0.90 1.16 -0.08 0.04 0.00 0.00 177.00 177.23 1uey s THR 9 N 3.93 -0.14 -1.16 1.26 -1.32 -1.26 -5.05 115.64 111.90 1uey s THR 9 Ca 0.57 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 1uey s THR 9 Cb -0.20 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.72 1uey s THR 9 CO 0.19 0.00 2.29 -0.81 -2.21 0.00 0.00 174.62 174.08 1uey n PRO 10 N 4.17 2.49 -4.76 7.08 -0.04 -1.26 -4.87 135.00 137.81 1uey n PRO 10 Ca -0.11 -1.97 -0.33 0.00 -0.04 0.00 0.00 63.50 61.05 1uey n PRO 10 Cb 0.55 -2.82 -0.13 0.00 -0.04 0.00 0.00 33.50 31.07 1uey n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uey s ALA 11 N 3.45 2.78 1.01 0.55 0.00 -1.26 -5.13 121.76 123.17 1uey s ALA 11 Ca 0.52 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1uey s ALA 11 Cb 0.14 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1uey s ALA 11 CO -0.02 0.51 0.07 -0.35 0.00 0.00 0.00 175.76 175.97 1uey n PRO 12 N 2.49 -0.59 -3.70 0.00 -0.04 -1.26 -5.10 135.00 126.80 1uey n PRO 12 Ca -0.18 -0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.07 1uey n PRO 12 Cb 0.53 -0.08 -0.11 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.13 -0.02 0.00 0.52 1.01 -1.26 -5.17 120.40 114.35 1uey s VAL 13 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1uey s VAL 13 Cb -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1uey s VAL 13 CO 0.03 0.03 0.00 -1.22 0.00 0.00 0.00 175.10 173.94 1uey n TYR 14 N 4.07 -0.22 0.00 5.22 4.02 -1.26 -4.41 117.16 124.58 1uey n TYR 14 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 1uey n TYR 14 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 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 -0.71 0.00 -0.98 7.72 8.00 -1.26 -5.05 116.55 124.27 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 -0.40 -2.42 2.53 0.24 -1.26 -4.60 118.33 112.42 1uey n VAL 16 Ca 0.00 0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 62.31 1uey n VAL 16 Cb 0.00 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 31.66 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 -4.42 4.28 0.98 7.34 0.04 -1.25 -4.55 135.00 137.42 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 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1uey s PRO 17 CO 0.00 -0.60 -0.27 0.09 0.04 0.00 0.00 177.00 176.26 1uey n ASN 18 N 6.03 -4.03 -4.80 6.66 5.03 -0.53 -4.43 115.26 119.19 1uey n ASN 18 Ca 0.13 0.23 -0.33 0.00 0.87 0.00 0.00 54.58 55.47 1uey n ASN 18 Cb 0.45 -0.96 -0.02 0.00 -1.02 0.00 0.00 39.78 38.24 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 -2.79 3.64 0.95 3.52 0.04 -1.26 -4.40 135.00 134.70 1uey s PRO 19 Ca 0.48 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1uey s PRO 19 Cb -0.18 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.45 1uey s PRO 19 CO 0.75 -0.55 1.16 -1.25 0.04 0.00 0.00 177.00 177.14 1uey s PRO 20 N -3.58 0.78 0.35 0.56 0.04 -1.26 -4.10 135.00 127.79 1uey s PRO 20 Ca 0.65 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 1uey s PRO 20 Cb -0.16 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1uey s PRO 20 CO 0.27 -2.41 0.52 -0.59 0.04 0.00 0.00 177.00 174.82 1uey s PHE 21 N -3.32 0.93 -1.59 0.56 -0.12 -0.89 -4.43 117.98 109.13 1uey s PHE 21 Ca 0.66 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 1uey s PHE 21 Cb -0.13 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 1uey s PHE 21 CO 0.54 -1.20 0.00 -0.25 -0.05 0.00 0.00 175.22 174.26 1uey n ASP 22 N -1.40 -5.58 -4.48 1.98 8.00 -1.26 -3.35 116.55 110.46 1uey n ASP 22 Ca -0.00 0.37 -0.55 0.00 0.71 0.00 0.00 54.79 55.32 1uey n ASP 22 Cb 0.61 -4.40 -0.06 0.00 -0.02 0.00 0.00 41.12 37.25 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uey n LEU 23 N -1.70 -0.14 -4.18 0.64 4.32 -1.26 -4.90 117.00 109.78 1uey n LEU 23 Ca -0.15 1.15 -0.12 0.00 -0.02 0.00 0.00 56.01 56.87 1uey n LEU 23 Cb 0.62 -0.97 -0.09 0.00 -1.62 0.00 0.00 43.42 41.36 1uey n LEU 23 CO 0.23 -2.11 -0.19 -1.61 -1.22 0.00 0.00 177.39 172.48 1uey s GLU 24 N -0.29 1.25 -0.21 3.23 2.02 -0.87 -4.77 118.70 119.06 1uey s GLU 24 Ca 0.82 -1.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 1uey s GLU 24 Cb -1.12 0.29 0.07 0.00 0.10 0.00 0.00 34.13 33.47 1uey s GLU 24 CO 0.56 -0.42 0.06 -0.51 0.02 0.00 0.00 175.26 174.97 1uey s LEU 25 N -3.15 1.11 -0.03 1.80 1.43 -1.26 -2.94 118.68 115.65 1uey s LEU 25 Ca 0.37 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1uey s LEU 25 Cb 0.06 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.75 1uey s LEU 25 CO 0.12 -0.34 0.07 0.42 0.23 0.00 0.00 176.35 176.85 1uey s THR 26 N 1.90 -0.01 0.09 5.49 -4.23 -1.03 -5.03 115.64 112.81 1uey s THR 26 Ca 0.02 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1uey s THR 26 Cb -0.17 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1uey s THR 26 CO -0.13 0.02 0.12 -0.90 -0.54 0.00 0.00 174.62 173.19 1uey n ASP 27 N 3.33 -0.32 0.00 3.99 5.68 -1.26 -3.01 116.55 124.96 1uey n ASP 27 Ca -0.16 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1uey n ASP 27 Cb 0.57 0.62 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 1uey n ASP 27 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uey n GLN 28 N -0.15 0.00 0.00 0.11 10.64 -1.26 -5.00 117.38 121.72 1uey n GLN 28 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1uey n GLN 28 Cb 0.15 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 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 7.94 -1.26 -5.11 117.00 121.18 1uey n LEU 29 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1uey n LEU 29 Cb 0.00 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 43.85 1uey n LEU 29 CO 0.00 -0.22 0.00 -0.67 -1.11 0.00 0.00 177.39 175.39 1uey n ASP 30 N -1.79 0.00 -2.78 1.96 -0.08 -1.26 -4.98 116.55 107.61 1uey n ASP 30 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 1uey n ASP 30 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1uey n ASP 30 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1uey n LYS 31 N 0.00 3.35 -3.15 -0.67 3.00 -1.26 -4.92 118.16 114.51 1uey n LYS 31 Ca 0.00 -4.72 0.06 0.00 -0.00 0.00 0.00 58.31 53.65 1uey n LYS 31 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 35.03 32.77 1uey n LYS 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1uey s SER 32 N -3.44 -0.14 0.14 3.14 1.04 -1.26 -4.90 113.70 108.28 1uey s SER 32 Ca 0.48 0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.85 1uey s SER 32 Cb 0.32 1.10 -0.07 0.00 0.10 0.00 0.00 66.02 67.48 1uey s SER 32 CO -0.16 -0.03 0.50 0.54 0.98 0.00 0.00 173.24 175.07 1uey s VAL 33 N 2.99 4.96 -0.15 5.02 0.11 -1.02 -4.46 120.40 127.84 1uey s VAL 33 Ca 0.11 0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 59.70 1uey s VAL 33 Cb -0.05 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1uey s VAL 33 CO -0.15 0.19 0.08 -1.58 -3.33 0.00 0.00 175.10 170.31 1uey s GLN 34 N -2.14 3.65 -0.34 1.54 0.74 -1.16 0.19 119.66 122.13 1uey s GLN 34 Ca 0.38 -0.28 -0.10 0.00 0.05 0.00 0.00 55.36 55.42 1uey s GLN 34 Cb -0.14 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 30.84 1uey s GLN 34 CO 0.19 0.51 0.17 -1.17 -0.55 0.00 0.00 175.29 174.45 1uey s LEU 35 N -0.29 4.42 -0.24 3.68 2.96 0.13 -2.47 118.68 126.86 1uey s LEU 35 Ca 0.09 -0.80 -0.14 0.00 -0.22 0.00 0.00 54.13 53.06 1uey s LEU 35 Cb -0.12 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1uey s LEU 35 CO 0.01 -0.30 0.35 -0.94 -1.32 0.00 0.00 176.35 174.15 1uey s SER 36 N 1.57 6.28 0.24 3.68 1.04 -1.15 -2.84 113.70 122.52 1uey s SER 36 Ca 0.03 0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.84 1uey s SER 36 Cb -0.18 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1uey s SER 36 CO 0.06 -0.11 -0.06 -1.66 0.98 0.00 0.00 173.24 172.45 1uey s TRP 37 N 1.69 1.75 -0.21 5.02 -2.14 -0.99 -2.04 118.94 122.02 1uey s TRP 37 Ca 0.15 -0.74 -0.00 0.00 2.66 0.00 0.00 56.10 58.16 1uey s TRP 37 Cb -0.15 -0.97 0.06 0.00 -3.10 0.00 0.00 33.47 29.31 1uey s TRP 37 CO 0.09 0.19 -0.03 0.99 -2.66 0.00 0.00 176.95 175.53 1uey s THR 38 N -3.14 1.18 -0.36 0.66 2.01 -1.21 -4.84 115.64 109.93 1uey s THR 38 Ca 0.27 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1uey s THR 38 Cb 0.03 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.06 1uey s THR 38 CO 0.09 -0.07 1.39 -2.16 -0.69 0.00 0.00 174.62 173.18 1uey s PRO 39 N 1.57 3.70 0.00 4.92 0.04 -1.26 -2.08 135.00 141.88 1uey s PRO 39 Ca -0.03 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1uey s PRO 39 Cb -0.17 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1uey s PRO 39 CO -0.07 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1uey n GLY 40 N 4.80 -2.21 3.72 0.56 0.00 -1.26 -4.92 105.19 105.89 1uey n GLY 40 Ca 0.16 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.69 4.13 -0.01 1.61 1.01 -1.26 -4.86 116.67 115.60 1uey s ASP 41 Ca 0.00 2.29 0.14 0.00 0.71 0.00 0.00 52.55 55.69 1uey s ASP 41 Cb 0.00 -2.58 -0.19 0.00 1.01 0.00 0.00 42.92 41.16 1uey s ASP 41 CO 0.00 -2.30 0.40 0.47 0.21 0.00 0.00 175.17 173.95 1uey n ASP 42 N -2.90 1.40 -3.02 0.27 9.92 -1.26 -1.45 116.55 119.51 1uey n ASP 42 Ca 0.13 -0.28 -0.03 0.00 -0.53 0.00 0.00 54.79 54.08 1uey n ASP 42 Cb 0.51 1.42 0.01 0.00 -0.64 0.00 0.00 41.12 42.42 1uey n ASP 42 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1uey n ASN 43 N -1.76 -7.30 0.00 -2.24 5.03 -1.26 -3.26 115.26 104.47 1uey n ASN 43 Ca -0.01 -0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.25 1uey n ASN 43 Cb 0.31 -5.08 0.00 0.00 -1.02 0.00 0.00 39.78 33.99 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 -2.02 0.00 -4.65 6.41 3.02 -1.26 -4.24 115.26 112.52 1uey n ASN 44 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1uey n ASN 44 Cb 0.52 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 6.69 0.61 6.41 0.15 -1.20 -4.99 113.70 121.36 1uey s SER 45 Ca 0.00 1.65 -0.15 0.00 0.70 0.00 0.00 55.95 58.15 1uey s SER 45 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1uey s SER 45 CO 0.00 -0.99 1.05 -2.16 1.20 0.00 0.00 173.24 172.34 1uey s PRO 46 N 4.05 3.31 0.41 5.44 0.04 -1.26 -4.54 135.00 142.44 1uey s PRO 46 Ca 0.62 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 1uey s PRO 46 Cb -0.23 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 1uey s PRO 46 CO 0.23 -0.81 1.22 0.42 0.04 0.00 0.00 177.00 178.09 1uey s ILE 47 N -2.61 2.95 0.00 0.56 -1.09 -1.26 -4.33 121.20 115.42 1uey s ILE 47 Ca 0.62 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1uey s ILE 47 Cb -0.15 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1uey s ILE 47 CO 0.40 0.08 0.00 0.35 -1.23 0.00 0.00 174.94 174.55 1uey n THR 48 N 0.04 0.00 -3.96 2.92 -2.24 -0.22 -4.57 114.28 106.25 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 0.46 -0.66 -0.08 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 -1.88 0.79 -0.25 -0.78 2.20 -0.59 0.18 119.74 119.40 1uey s LYS 49 Ca 0.00 -1.08 -0.03 0.00 -0.36 0.00 0.00 55.97 54.50 1uey s LYS 49 Cb 0.00 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.70 1uey s LYS 49 CO 0.00 -0.22 0.08 -0.06 -0.36 0.00 0.00 175.35 174.79 1uey s PHE 50 N -3.90 0.93 0.36 4.03 0.08 -0.03 -1.18 117.98 118.27 1uey s PHE 50 Ca 0.07 -1.04 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 1uey s PHE 50 Cb 0.06 -1.14 -0.06 0.00 -0.57 0.00 0.00 43.02 41.31 1uey s PHE 50 CO -0.09 -0.73 0.67 0.42 -0.10 0.00 0.00 175.22 175.39 1uey s ILE 51 N 1.89 4.90 0.14 0.64 1.01 -0.29 -0.91 121.20 128.59 1uey s ILE 51 Ca 0.05 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1uey s ILE 51 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1uey s ILE 51 CO -0.20 -0.45 -0.09 -0.63 0.00 0.00 0.00 174.94 173.57 1uey s ILE 52 N -2.27 1.05 0.13 2.92 1.09 0.89 0.21 121.20 125.22 1uey s ILE 52 Ca 0.48 -2.03 -0.18 0.00 -1.10 0.00 0.00 60.65 57.81 1uey s ILE 52 Cb -0.10 -1.84 0.04 0.00 -1.06 0.00 0.00 42.46 39.50 1uey s ILE 52 CO 0.31 -0.75 0.46 -1.61 -0.10 0.00 0.00 174.94 173.26 1uey s GLU 53 N -3.78 1.11 0.07 2.79 2.02 0.80 -2.36 118.70 119.36 1uey s GLU 53 Ca 0.16 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.46 1uey s GLU 53 Cb 0.03 0.50 -0.01 0.00 0.10 0.00 0.00 34.13 34.76 1uey s GLU 53 CO -0.00 -0.45 0.16 1.52 0.02 0.00 0.00 175.26 176.51 1uey s TYR 54 N -3.68 0.18 -0.09 1.61 1.13 -1.21 0.53 117.35 115.81 1uey s TYR 54 Ca 0.02 -0.56 0.03 0.00 -1.41 0.00 0.00 57.07 55.14 1uey s TYR 54 Cb 0.01 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1uey s TYR 54 CO -0.11 -0.48 -0.18 -1.83 -2.51 0.00 0.00 175.55 170.43 1uey s GLU 55 N -3.46 2.40 -0.85 -3.49 4.04 -1.23 -1.43 118.70 114.68 1uey s GLU 55 Ca 0.02 -0.65 -0.25 0.00 0.04 0.00 0.00 54.97 54.13 1uey s GLU 55 Cb 0.03 -1.91 -0.01 0.00 0.02 0.00 0.00 34.13 32.26 1uey s GLU 55 CO -0.09 0.06 1.73 -0.51 -1.84 0.00 0.00 175.26 174.62 1uey s ASP 56 N 0.63 5.60 0.36 0.83 1.11 -1.24 -3.01 116.67 120.96 1uey s ASP 56 Ca -0.14 -0.60 0.19 0.00 0.18 0.00 0.00 52.55 52.18 1uey s ASP 56 Cb -0.16 -2.56 0.56 0.00 1.07 0.00 0.00 42.92 41.83 1uey s ASP 56 CO 0.04 -2.27 1.67 0.00 1.18 0.00 0.00 175.17 175.79 1uey h ALA 57 N 11.62 0.91 0.00 5.23 0.00 -1.24 1.50 119.26 137.27 1uey h ALA 57 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1uey h ALA 57 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1uey h ALA 57 CO 1.27 0.47 0.00 -0.12 0.00 0.00 0.00 179.25 180.87 1uey n MET 58 N -3.41 0.08 0.02 0.00 0.00 -0.99 -4.28 117.12 108.53 1uey n MET 58 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1uey n MET 58 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.28 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 -1.46 -0.19 -3.62 1.12 -0.00 -0.97 -4.96 115.22 105.14 1uey n HIS 59 Ca 0.08 0.03 -0.29 0.00 -0.00 0.00 0.00 57.72 57.54 1uey n HIS 59 Cb 0.29 0.19 -0.14 0.00 -0.00 0.00 0.00 29.99 30.33 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1uey s LYS 60 N -1.19 0.60 -0.30 -0.41 1.02 0.51 -5.08 119.74 114.89 1uey s LYS 60 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 1uey s LYS 60 Cb 0.00 -1.65 -0.00 0.00 -0.52 0.00 0.00 37.83 35.66 1uey s LYS 60 CO 0.00 -1.06 1.35 -1.25 -0.92 0.00 0.00 175.35 173.46 1uey s PRO 61 N 1.49 3.87 0.00 -1.68 0.04 -0.76 -2.80 135.00 135.16 1uey s PRO 61 Ca 0.12 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1uey s PRO 61 Cb -0.19 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1uey s PRO 61 CO -0.20 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1uey n GLY 62 N 4.43 0.73 3.26 0.56 0.00 -1.26 -5.00 105.19 107.90 1uey n GLY 62 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 6.12 0.06 0.99 2.96 -1.12 -5.05 118.68 122.64 1uey s LEU 63 Ca 0.00 -2.26 -0.24 0.00 -0.22 0.00 0.00 54.13 51.42 1uey s LEU 63 Cb 0.00 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 1uey s LEU 63 CO 0.00 -0.66 0.72 0.26 -1.32 0.00 0.00 176.35 175.35 1uey s TRP 64 N 0.85 3.76 0.39 5.38 0.52 -1.26 -3.75 118.94 124.84 1uey s TRP 64 Ca 0.10 1.43 0.04 0.00 0.02 0.00 0.00 56.10 57.70 1uey s TRP 64 Cb -0.21 -2.75 -0.06 0.00 -1.15 0.00 0.00 33.47 29.31 1uey s TRP 64 CO -0.03 0.35 0.04 -1.01 0.02 0.00 0.00 176.95 176.33 1uey s HIS 65 N -0.34 2.10 -0.30 -1.98 3.76 -0.52 -4.93 115.29 113.09 1uey s HIS 65 Ca 0.36 -0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 1uey s HIS 65 Cb -0.20 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.02 1uey s HIS 65 CO 0.22 0.14 1.17 -1.58 -0.85 0.00 0.00 174.74 173.84 1uey s HIS 66 N -3.04 2.97 0.00 1.40 2.46 -1.26 -3.30 115.29 114.52 1uey s HIS 66 Ca 0.30 1.07 0.00 0.00 0.47 0.00 0.00 55.06 56.90 1uey s HIS 66 Cb 0.07 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 1uey s HIS 66 CO 0.14 -1.16 0.00 0.94 -2.47 0.00 0.00 174.74 172.19 1uey n GLN 67 N 6.99 0.00 -3.53 2.88 -0.06 -1.00 -4.98 117.38 117.68 1uey n GLN 67 Ca 0.13 0.03 -0.07 0.00 -2.00 0.00 0.00 57.00 55.09 1uey n GLN 67 Cb 0.47 -0.26 -0.02 0.00 -4.06 0.00 0.00 30.24 26.37 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 -0.21 0.00 0.32 1.69 -1.32 -1.23 -5.01 115.64 109.88 1uey s THR 68 Ca 0.00 -0.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 1uey s THR 68 Cb 0.00 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 1uey s THR 68 CO 0.00 0.00 0.08 -1.83 -2.21 0.00 0.00 174.62 170.66 1uey s GLU 69 N -3.04 1.64 0.21 7.08 4.04 -1.26 -0.08 118.70 127.29 1uey s GLU 69 Ca 0.06 -1.92 -0.01 0.00 0.04 0.00 0.00 54.97 53.14 1uey s GLU 69 Cb -0.01 -0.63 0.01 0.00 0.02 0.00 0.00 34.13 33.52 1uey s GLU 69 CO -0.08 -0.28 0.31 1.33 -1.84 0.00 0.00 175.26 174.70 1uey n VAL 70 N -0.66 0.00 -1.52 1.83 0.24 -0.09 -4.94 118.33 113.19 1uey n VAL 70 Ca -0.02 -1.06 -0.29 0.00 -2.04 0.00 0.00 64.34 60.93 1uey n VAL 70 Cb 0.66 0.66 0.13 0.00 -1.47 0.00 0.00 33.84 33.83 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 -2.31 3.54 -0.15 -1.34 0.15 -1.26 -0.85 113.70 111.48 1uey s SER 71 Ca 0.17 1.00 0.06 0.00 0.70 0.00 0.00 55.95 57.88 1uey s SER 71 Cb -0.01 -1.59 0.39 0.00 -1.71 0.00 0.00 66.02 63.10 1uey s SER 71 CO 0.12 -2.54 1.21 0.61 1.20 0.00 0.00 173.24 173.85 1uey n GLY 72 N -2.15 2.50 0.03 9.45 0.00 0.47 -3.74 105.19 111.75 1uey n GLY 72 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 0.15 0.32 -2.19 2.61 -1.04 -1.26 -4.60 114.28 108.27 1uey n THR 73 Ca 0.18 -0.14 -0.27 0.00 -2.04 0.00 0.00 64.05 61.78 1uey n THR 73 Cb 0.82 -0.74 0.05 0.00 -1.82 0.00 0.00 70.33 68.64 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 -2.11 2.60 0.00 -2.82 -2.07 -1.25 -5.01 119.66 109.00 1uey s GLN 74 Ca -0.06 0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.50 1uey s GLN 74 Cb 0.02 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.78 1uey s GLN 74 CO 0.14 -1.02 0.68 0.25 -1.32 0.00 0.00 175.29 174.02 1uey n THR 75 N -2.84 0.00 -3.73 3.63 -2.24 -1.26 -4.87 114.28 102.97 1uey n THR 75 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1uey n THR 75 Cb 0.59 0.67 -0.18 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.09 0.04 4.28 -4.23 -1.26 -2.34 115.64 112.22 1uey s THR 76 Ca 0.00 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 60.85 1uey s THR 76 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1uey s THR 76 CO 0.00 0.21 -0.15 0.00 -0.54 0.00 0.00 174.62 174.14 1uey s ALA 77 N 2.00 1.22 0.12 3.99 0.00 -1.13 -4.92 121.76 123.04 1uey s ALA 77 Ca 0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 1uey s ALA 77 Cb -0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 1uey s ALA 77 CO -0.04 0.23 0.81 -0.65 0.00 0.00 0.00 175.76 176.11 1uey s GLN 78 N -1.20 4.59 -0.07 0.00 -0.21 -1.26 0.21 119.66 121.72 1uey s GLN 78 Ca 0.02 1.19 0.03 0.00 0.02 0.00 0.00 55.36 56.62 1uey s GLN 78 Cb -0.08 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.60 1uey s GLN 78 CO 0.01 0.43 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.94 1uey s LEU 79 N -0.64 2.62 -0.43 2.90 1.43 0.51 -4.93 118.68 120.13 1uey s LEU 79 Ca 0.39 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1uey s LEU 79 Cb -0.23 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1uey s LEU 79 CO 0.26 0.29 0.57 0.20 0.23 0.00 0.00 176.35 177.89 1uey s ASN 80 N -0.37 6.28 0.26 2.29 -0.87 -1.26 -2.45 114.94 118.82 1uey s ASN 80 Ca 0.04 -0.44 0.08 0.00 -1.57 0.00 0.00 52.86 50.97 1uey s ASN 80 Cb -0.12 -2.28 -0.04 0.00 -0.02 0.00 0.00 41.25 38.78 1uey s ASN 80 CO 0.02 -0.70 0.11 -0.76 -2.57 0.00 0.00 177.10 173.20 1uey s LEU 81 N 2.57 3.55 0.25 0.60 1.43 -1.26 -5.09 118.68 120.73 1uey s LEU 81 Ca 0.19 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1uey s LEU 81 Cb -0.15 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1uey s LEU 81 CO 0.17 -0.02 -0.01 -0.94 0.23 0.00 0.00 176.35 175.77 1uey s SER 82 N -3.76 2.09 0.28 2.29 1.04 -1.26 -5.00 113.70 109.37 1uey s SER 82 Ca 0.32 -1.22 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 1uey s SER 82 Cb -0.07 -0.04 -0.09 0.00 0.10 0.00 0.00 66.02 65.91 1uey s SER 82 CO 0.23 -0.47 1.08 -2.16 0.98 0.00 0.00 173.24 172.89 1uey s PRO 83 N -3.83 4.65 -0.95 4.02 0.04 -1.26 -3.74 135.00 133.93 1uey s PRO 83 Ca 0.29 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1uey s PRO 83 Cb 0.05 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1uey s PRO 83 CO 0.10 0.23 0.80 0.66 0.04 0.00 0.00 177.00 178.83 1uey n TYR 84 N 1.17 -1.83 -3.72 0.56 4.01 -1.18 -5.03 117.16 111.14 1uey n TYR 84 Ca -0.01 0.75 -0.12 0.00 -0.16 0.00 0.00 57.90 58.36 1uey n TYR 84 Cb 0.45 -4.36 -0.13 0.00 -0.31 0.00 0.00 39.34 34.99 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 -3.30 -0.05 0.04 -0.72 1.01 -1.25 -5.07 120.40 111.07 1uey s VAL 85 Ca 0.08 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1uey s VAL 85 Cb -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1uey s VAL 85 CO 0.59 0.06 -0.24 0.21 0.00 0.00 0.00 175.10 175.72 1uey s ASN 86 N 1.31 2.89 0.00 3.32 3.04 -1.26 -3.33 114.94 120.91 1uey s ASN 86 Ca -0.09 -0.55 0.00 0.00 0.04 0.00 0.00 52.86 52.26 1uey s ASN 86 Cb -0.10 -0.26 0.00 0.00 -1.54 0.00 0.00 41.25 39.34 1uey s ASN 86 CO -0.09 0.23 0.00 0.00 -3.04 0.00 0.00 177.10 174.20 1uey n TYR 87 N 1.90 0.00 -3.68 0.43 0.18 -1.25 -0.96 117.16 113.78 1uey n TYR 87 Ca -0.17 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.38 1uey n TYR 87 Cb 0.52 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.50 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 2.50 -3.70 9.48 3.41 -1.16 -3.32 113.62 120.82 1uey n SER 88 Ca 0.00 -2.69 -0.20 0.00 -0.26 0.00 0.00 58.87 55.72 1uey n SER 88 Cb 0.00 -0.12 -0.18 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.51 0.13 -0.11 7.33 0.08 -1.26 -3.58 117.98 118.07 1uey s PHE 89 Ca 0.35 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.61 1uey s PHE 89 Cb -0.03 -0.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 1uey s PHE 89 CO 0.22 -0.19 -0.18 -0.98 -0.10 0.00 0.00 175.22 173.99 1uey s ARG 90 N 1.97 3.15 -0.04 0.44 1.70 0.19 -3.37 118.95 122.98 1uey s ARG 90 Ca 0.03 -0.77 -0.03 0.00 -0.47 0.00 0.00 55.73 54.49 1uey s ARG 90 Cb -0.12 -2.46 -0.04 0.00 -0.57 0.00 0.00 34.95 31.76 1uey s ARG 90 CO -0.03 0.24 0.12 0.08 -1.08 0.00 0.00 175.30 174.62 1uey s VAL 91 N 0.24 5.07 0.10 4.99 1.01 -1.26 -0.14 120.40 130.41 1uey s VAL 91 Ca -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1uey s VAL 91 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1uey s VAL 91 CO 0.06 0.42 -0.17 -0.04 0.00 0.00 0.00 175.10 175.38 1uey s MET 92 N -1.57 1.00 -0.08 2.72 -1.94 0.58 -0.16 119.30 119.86 1uey s MET 92 Ca 0.22 -1.12 0.04 0.00 -1.71 0.00 0.00 55.69 53.12 1uey s MET 92 Cb -0.12 -1.07 -0.01 0.00 2.01 0.00 0.00 34.83 35.63 1uey s MET 92 CO 0.12 0.24 -0.22 0.00 -0.01 0.00 0.00 175.02 175.15 1uey s ALA 93 N -1.48 2.30 -0.06 3.03 0.00 -1.26 -1.13 121.76 123.17 1uey s ALA 93 Ca 0.05 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1uey s ALA 93 Cb -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1uey s ALA 93 CO 0.03 0.38 -0.12 0.08 0.00 0.00 0.00 175.76 176.14 1uey s VAL 94 N -0.05 1.10 0.00 0.00 1.01 -0.33 -0.40 120.40 121.73 1uey s VAL 94 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1uey s VAL 94 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1uey s VAL 94 CO 0.05 0.34 0.00 -0.46 0.00 0.00 0.00 175.10 175.03 1uey n ASN 95 N 3.69 0.73 -0.30 3.32 0.23 -0.67 -1.06 115.26 121.20 1uey n ASN 95 Ca -0.22 -0.73 0.13 0.00 -0.53 0.00 0.00 54.58 53.23 1uey n ASN 95 Cb 0.52 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.59 1uey n ASN 95 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1uey h SER 96 N 0.00 0.68 0.00 0.53 0.87 -1.91 -3.04 113.55 110.68 1uey h SER 96 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1uey h SER 96 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1uey h SER 96 CO 0.00 0.31 0.00 -0.38 -0.53 0.00 0.00 176.83 176.23 1uey n ILE 97 N -4.61 0.00 -2.66 2.23 2.08 -1.26 -5.05 119.36 110.10 1uey n ILE 97 Ca 0.19 0.95 0.00 0.00 0.56 0.00 0.00 62.75 64.45 1uey n ILE 97 Cb 0.52 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 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 -0.08 1.63 3.72 7.39 0.00 -1.15 -4.99 105.19 111.70 1uey n GLY 98 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 0.78 4.20 0.99 1.61 2.20 -1.26 -1.67 119.74 126.58 1uey s LYS 99 Ca 0.00 -0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.36 1uey s LYS 99 Cb 0.00 -3.44 0.22 0.00 -1.51 0.00 0.00 37.83 33.10 1uey s LYS 99 CO 0.00 0.23 1.34 -1.54 -0.36 0.00 0.00 175.35 175.02 1uey s SER 100 N 0.53 2.85 0.80 1.43 1.04 0.46 -4.98 113.70 115.83 1uey s SER 100 Ca 0.12 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1uey s SER 100 Cb -0.12 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.01 1uey s SER 100 CO 0.01 -2.88 1.09 -0.76 0.98 0.00 0.00 173.24 171.68 1uey s LEU 101 N -5.93 2.82 0.37 2.42 1.43 -1.26 -4.60 118.68 113.94 1uey s LEU 101 Ca 0.76 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.30 1uey s LEU 101 Cb -0.02 -4.33 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 1uey s LEU 101 CO 0.53 -2.12 1.06 -2.16 0.23 0.00 0.00 176.35 173.90 1uey s PRO 102 N -4.94 4.27 0.68 1.29 0.04 -1.26 -4.59 135.00 130.48 1uey s PRO 102 Ca 0.61 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1uey s PRO 102 Cb -0.17 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1uey s PRO 102 CO 0.56 -0.06 0.44 -1.13 0.04 0.00 0.00 177.00 176.85 1uey n SER 103 N 0.21 -1.48 0.00 6.66 3.41 0.78 -4.87 113.62 118.33 1uey n SER 103 Ca 0.04 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1uey n SER 103 Cb 0.49 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.30 0.00 0.00 4.33 1.02 -1.26 -4.68 120.64 119.75 1uey n GLU 104 Ca 0.10 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1uey n GLU 104 Cb 0.49 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 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 -1.25 0.00 -0.37 0.62 0.00 -1.26 -5.01 120.51 113.23 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 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1uey n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uey s SER 106 N 0.00 -0.43 1.14 0.00 1.04 -1.22 -4.96 113.70 109.28 1uey s SER 106 Ca 0.00 1.17 -0.13 0.00 0.48 0.00 0.00 55.95 57.47 1uey s SER 106 Cb 0.00 -1.75 0.25 0.00 0.10 0.00 0.00 66.02 64.62 1uey s SER 106 CO 0.00 -5.02 0.88 -1.84 0.98 0.00 0.00 173.24 168.24 1uey n GLU 107 N -5.43 -2.13 -2.91 4.02 0.28 -1.26 -4.67 120.64 108.53 1uey n GLU 107 Ca 0.08 -0.59 -0.44 0.00 -0.16 0.00 0.00 57.16 56.05 1uey n GLU 107 Cb 0.57 -2.12 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 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 -4.27 3.25 -0.29 3.44 -0.21 -1.26 -4.62 119.66 115.69 1uey s GLN 108 Ca 0.67 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.57 1uey s GLN 108 Cb -0.23 -4.44 0.01 0.00 1.00 0.00 0.00 33.01 29.35 1uey s GLN 108 CO 0.65 -1.76 1.08 -0.47 -2.12 0.00 0.00 175.29 172.66 1uey s TYR 109 N 3.45 3.18 -0.20 0.91 6.14 -1.21 -4.91 117.35 124.71 1uey s TYR 109 Ca 0.24 1.26 -0.01 0.00 0.64 0.00 0.00 57.07 59.19 1uey s TYR 109 Cb -0.14 -3.58 0.01 0.00 0.42 0.00 0.00 41.96 38.66 1uey s TYR 109 CO 0.04 -0.74 -0.13 -1.17 0.64 0.00 0.00 175.55 174.19 1uey s LEU 110 N 3.55 2.49 1.35 6.97 1.98 -1.26 -3.75 118.68 130.00 1uey s LEU 110 Ca 0.46 -0.53 -0.21 0.00 -2.89 0.00 0.00 54.13 50.96 1uey s LEU 110 Cb -0.13 -1.60 0.34 0.00 0.66 0.00 0.00 46.19 45.46 1uey s LEU 110 CO 0.13 -0.00 0.99 0.42 -1.89 0.00 0.00 176.35 176.00 1uey s THR 111 N 1.35 1.36 0.32 3.68 -4.23 -1.21 -4.96 115.64 111.95 1uey s THR 111 Ca 0.05 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.29 1uey s THR 111 Cb -0.14 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.41 1uey s THR 111 CO -0.08 0.00 1.05 -0.54 -0.54 0.00 0.00 174.62 174.51 1uey s LYS 112 N -5.16 4.48 0.00 3.99 -0.14 -1.26 -4.67 119.74 116.98 1uey s LYS 112 Ca 0.69 1.63 0.00 0.00 -1.36 0.00 0.00 55.97 56.93 1uey s LYS 112 Cb -0.13 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1uey s LYS 112 CO 0.58 0.12 0.00 0.00 -0.76 0.00 0.00 175.35 175.28 1uey n ALA 113 N 0.70 0.00 -1.02 5.17 0.00 -1.26 -3.11 120.51 120.98 1uey n ALA 113 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1uey n ALA 113 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 1uey n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uey n SER 114 N -1.84 5.97 0.00 0.00 7.64 -1.26 -4.76 113.62 119.37 1uey n SER 114 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1uey n SER 114 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1uey n SER 114 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1uey n GLU 115 N 1.24 0.00 0.00 1.43 2.13 -1.26 -5.18 120.64 119.00 1uey n GLU 115 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1uey n GLU 115 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1uey n GLU 115 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1uey n PRO 116 N -0.20 0.36 -0.65 5.31 -0.04 -1.26 -4.97 135.00 133.55 1uey n PRO 116 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1uey n PRO 116 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1uey n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uey n ASP 117 N -1.28 -4.59 0.00 3.54 2.03 -1.26 -4.86 116.55 110.14 1uey n ASP 117 Ca 0.00 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1uey n ASP 117 Cb 0.00 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uey n LYS 118 N -0.16 0.00 -3.18 -0.67 5.02 -1.26 -4.51 118.16 113.40 1uey n LYS 118 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1uey n LYS 118 Cb 0.00 -0.43 -0.06 0.00 -0.02 0.00 0.00 35.03 34.52 1uey n LYS 118 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1uey s ASN 119 N -2.81 7.06 0.14 4.39 3.84 -1.26 -4.85 114.94 121.44 1uey s ASN 119 Ca 0.00 1.26 -0.05 0.00 0.21 0.00 0.00 52.86 54.28 1uey s ASN 119 Cb 0.00 -2.39 -0.07 0.00 -0.55 0.00 0.00 41.25 38.25 1uey s ASN 119 CO 0.00 0.14 1.33 1.55 -2.79 0.00 0.00 177.10 177.34 1uey h PRO 120 N 5.26 0.46 -4.21 0.43 0.13 -1.89 -3.39 132.00 128.78 1uey h PRO 120 Ca -0.46 -0.45 -0.71 0.00 -0.87 0.00 0.00 66.00 63.51 1uey h PRO 120 Cb 1.21 0.12 -0.33 0.00 0.13 0.00 0.00 31.00 32.12 1uey h PRO 120 CO 0.68 1.10 -0.45 0.95 -0.23 0.00 0.00 178.00 180.05 1uey s THR 121 N -3.41 3.69 0.44 1.56 -4.23 -1.26 -5.08 115.64 107.34 1uey s THR 121 Ca -0.06 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.16 1uey s THR 121 Cb 0.09 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.42 1uey s THR 121 CO 0.87 -0.77 0.78 -0.94 -0.54 0.00 0.00 174.62 174.02 1uey s SER 122 N 1.79 6.40 -0.09 3.99 1.04 -1.26 -5.09 113.70 120.48 1uey s SER 122 Ca 0.10 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 1uey s SER 122 Cb -0.23 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.72 1uey s SER 122 CO -0.03 -0.48 0.99 -0.83 0.98 0.00 0.00 173.24 173.87 1uey s GLY 123 N -3.59 -0.37 -1.22 7.32 0.00 -1.26 -5.07 107.32 103.13 1uey s GLY 123 Ca 0.49 1.44 -0.20 0.00 0.00 0.00 0.00 44.72 46.46 1uey s GLY 123 CO 0.38 0.58 1.87 -1.55 0.00 0.00 0.00 173.10 174.38 1uey n PRO 124 N 0.06 2.38 -3.16 2.90 -0.04 -1.26 -4.93 135.00 130.95 1uey n PRO 124 Ca -0.07 -2.78 -0.39 0.00 -0.04 0.00 0.00 63.50 60.22 1uey n PRO 124 Cb 0.60 -3.53 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 1uey n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uey s SER 125 N 5.14 6.89 -0.32 3.54 0.15 -1.26 -4.53 113.70 123.30 1uey s SER 125 Ca 0.60 1.06 -0.04 0.00 0.70 0.00 0.00 55.95 58.27 1uey s SER 125 Cb 0.04 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1uey s SER 125 CO 0.09 -0.04 0.15 -0.24 1.20 0.00 0.00 173.24 174.40 1uey n SER 126 N 3.59 -7.70 0.00 5.45 2.88 -1.26 -5.31 113.62 111.26 1uey n SER 126 Ca -0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1uey n SER 126 Cb 0.51 -5.13 0.00 0.00 -0.75 0.00 0.00 64.21 58.84 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42