#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 0.38 1.61 0.15 -1.26 -5.16 113.70 109.32 1uey s SER 2 Ca 0.00 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1uey s SER 2 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1uey s SER 2 CO 0.00 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.17 1uey n SER 3 N 1.85 -5.88 0.00 5.45 2.88 -1.26 -4.94 113.62 111.72 1uey n SER 3 Ca -0.11 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1uey n SER 3 Cb 0.57 -3.36 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1uey n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uey n GLY 4 N -3.73 0.72 5.20 0.46 0.00 -1.26 -4.97 105.19 101.61 1uey n GLY 4 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1uey n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uey n SER 5 N 1.44 0.00 -2.17 1.61 2.88 -1.26 -4.81 113.62 111.32 1uey n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uey n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uey n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uey n SER 6 N 1.91 -8.76 -4.36 -3.46 7.64 -1.26 -5.03 113.62 100.31 1uey n SER 6 Ca 0.00 1.61 -0.32 0.00 1.01 0.00 0.00 58.87 61.18 1uey n SER 6 Cb 0.00 -4.78 -0.15 0.00 -1.01 0.00 0.00 64.21 58.27 1uey n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uey s GLY 7 N -0.53 1.36 0.49 0.23 0.00 -1.26 -5.12 107.32 102.49 1uey s GLY 7 Ca 0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.44 1uey s GLY 7 CO 0.00 -0.88 1.04 2.56 0.00 0.00 0.00 173.10 175.82 1uey s PRO 8 N -0.66 3.78 0.07 2.90 0.04 -1.26 -4.98 135.00 134.88 1uey s PRO 8 Ca 0.11 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 1uey s PRO 8 Cb -0.10 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1uey s PRO 8 CO -0.00 -0.45 1.60 1.15 0.04 0.00 0.00 177.00 179.34 1uey h THR 9 N 1.49 0.62 -4.26 1.26 2.02 -2.00 -3.44 112.91 108.61 1uey h THR 9 Ca -0.49 -0.10 -0.50 0.00 0.77 0.00 0.00 66.41 66.09 1uey h THR 9 Cb 1.22 0.67 0.07 0.00 -1.74 0.00 0.00 68.15 68.38 1uey h THR 9 CO 0.59 0.02 0.37 -2.16 0.37 0.00 0.00 175.52 174.71 1uey s PRO 10 N -5.88 3.21 0.49 6.66 0.04 -1.26 -4.84 135.00 133.42 1uey s PRO 10 Ca -0.16 1.07 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1uey s PRO 10 Cb 0.04 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1uey s PRO 10 CO 0.62 -0.89 0.00 0.00 0.04 0.00 0.00 177.00 176.77 1uey n ALA 11 N -2.47 -1.86 -1.00 8.56 0.00 -1.26 -4.98 120.51 117.50 1uey n ALA 11 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1uey n ALA 11 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1uey n ALA 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uey n PRO 12 N -1.45 -0.45 -3.87 0.00 -0.04 -1.26 -4.85 135.00 123.08 1uey n PRO 12 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1uey n PRO 12 Cb 0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.96 0.92 0.00 0.52 0.11 -1.26 -4.98 120.40 114.75 1uey s VAL 13 Ca 0.00 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1uey s VAL 13 Cb 0.00 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1uey s VAL 13 CO 0.00 0.23 0.00 -1.22 -3.33 0.00 0.00 175.10 170.78 1uey n TYR 14 N 4.96 -2.56 0.00 1.54 4.02 -1.26 -4.52 117.16 119.33 1uey n TYR 14 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1uey n TYR 14 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 -2.70 0.00 -0.98 7.72 9.92 -1.26 -5.05 116.55 124.20 1uey n ASP 15 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1uey n ASP 15 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1uey n ASP 15 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1uey n VAL 16 N 0.00 -0.37 -2.42 2.53 0.24 -1.26 -4.60 118.33 112.45 1uey n VAL 16 Ca 0.00 0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 62.30 1uey n VAL 16 Cb 0.00 -0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 31.68 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 -4.32 4.29 1.01 7.34 0.04 -1.26 -4.55 135.00 137.55 1uey s PRO 17 Ca 0.00 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1uey s PRO 17 Cb 0.00 -3.66 -0.08 0.00 0.04 0.00 0.00 34.50 30.80 1uey s PRO 17 CO 0.00 -0.58 -0.56 0.09 0.04 0.00 0.00 177.00 175.99 1uey n ASN 18 N 5.89 -3.91 -4.79 6.66 5.03 -0.82 -4.46 115.26 118.86 1uey n ASN 18 Ca 0.13 0.14 -0.36 0.00 0.87 0.00 0.00 54.58 55.35 1uey n ASN 18 Cb 0.45 -0.84 -0.04 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 4.05 1.03 3.52 0.04 -1.26 -4.49 135.00 135.28 1uey s PRO 19 Ca 0.46 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 1uey s PRO 19 Cb -0.12 -2.40 0.21 0.00 0.04 0.00 0.00 34.50 32.23 1uey s PRO 19 CO 0.73 -0.24 1.19 -1.25 0.04 0.00 0.00 177.00 177.48 1uey s PRO 20 N -2.72 0.16 0.33 0.56 0.04 -1.26 -4.22 135.00 127.89 1uey s PRO 20 Ca 0.61 -0.08 -0.08 0.00 0.04 0.00 0.00 61.00 61.49 1uey s PRO 20 Cb -0.20 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1uey s PRO 20 CO 0.25 -2.79 0.55 -0.59 0.04 0.00 0.00 177.00 174.46 1uey s PHE 21 N -3.40 0.70 -1.71 0.56 -0.71 -0.33 -4.55 117.98 108.53 1uey s PHE 21 Ca 0.70 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1uey s PHE 21 Cb -0.09 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 1uey s PHE 21 CO 0.54 -1.20 0.00 -3.47 -1.34 0.00 0.00 175.22 169.75 1uey n ASP 22 N -1.19 -5.20 -4.73 1.98 2.03 -1.26 -1.60 116.55 106.59 1uey n ASP 22 Ca -0.02 0.20 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 1uey n ASP 22 Cb 0.61 -4.27 -0.02 0.00 -0.72 0.00 0.00 41.12 36.72 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uey n LEU 23 N -2.32 4.10 -3.48 -2.67 4.32 -1.26 -4.70 117.00 110.99 1uey n LEU 23 Ca -0.20 1.13 -0.14 0.00 -0.02 0.00 0.00 56.01 56.78 1uey n LEU 23 Cb 0.63 -1.56 -0.04 0.00 -1.62 0.00 0.00 43.42 40.82 1uey n LEU 23 CO 0.26 0.06 0.48 -1.61 -1.22 0.00 0.00 177.39 175.36 1uey s GLU 24 N -0.20 1.08 -0.14 3.23 8.01 -0.78 -4.18 118.70 125.72 1uey s GLU 24 Ca 0.67 -0.09 -0.04 0.00 0.01 0.00 0.00 54.97 55.52 1uey s GLU 24 Cb -0.52 0.50 -0.03 0.00 -4.31 0.00 0.00 34.13 29.77 1uey s GLU 24 CO 0.46 -0.41 0.00 -0.51 0.01 0.00 0.00 175.26 174.81 1uey s LEU 25 N -1.92 3.51 -0.22 1.80 2.01 -1.26 -0.49 118.68 122.11 1uey s LEU 25 Ca -0.04 0.01 -0.05 0.00 0.01 0.00 0.00 54.13 54.06 1uey s LEU 25 Cb -0.01 -1.85 0.11 0.00 0.01 0.00 0.00 46.19 44.46 1uey s LEU 25 CO -0.02 0.23 0.42 0.42 1.01 0.00 0.00 176.35 178.42 1uey s THR 26 N 0.00 -0.66 0.14 5.49 -4.23 0.56 -4.98 115.64 111.96 1uey s THR 26 Ca 0.03 0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1uey s THR 26 Cb -0.13 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1uey s THR 26 CO 0.02 -0.00 0.19 -0.90 -0.54 0.00 0.00 174.62 173.38 1uey n ASP 27 N 5.39 -0.51 0.00 3.99 5.75 -1.26 -3.48 116.55 126.43 1uey n ASP 27 Ca -0.06 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1uey n ASP 27 Cb 0.50 0.98 0.00 0.00 -1.03 0.00 0.00 41.12 41.56 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 -0.24 0.00 -3.07 0.11 6.02 -1.26 -5.02 117.38 113.92 1uey n GLN 28 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 1uey n GLN 28 Cb 0.24 -0.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.97 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1uey s LEU 29 N -4.56 4.06 -0.88 1.08 0.20 -1.26 -4.97 118.68 112.35 1uey s LEU 29 Ca 0.00 0.76 -0.25 0.00 0.69 0.00 0.00 54.13 55.33 1uey s LEU 29 Cb 0.00 -2.91 -0.05 0.00 -0.43 0.00 0.00 46.19 42.80 1uey s LEU 29 CO 0.00 -0.39 1.96 -0.62 -0.29 0.00 0.00 176.35 177.01 1uey s ASP 30 N 1.45 5.10 0.06 3.68 -1.08 -1.26 -3.43 116.67 121.19 1uey s ASP 30 Ca 0.28 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1uey s ASP 30 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1uey s ASP 30 CO 0.08 -2.77 0.00 1.17 0.52 0.00 0.00 175.17 174.18 1uey n LYS 31 N 8.87 0.00 -3.88 4.34 0.00 -1.26 -5.05 118.16 121.17 1uey n LYS 31 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.39 1uey n LYS 31 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.38 1uey n LYS 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1uey s SER 32 N -1.88 4.65 0.58 3.14 0.01 -1.22 -2.97 113.70 116.02 1uey s SER 32 Ca 0.00 -3.18 -0.18 0.00 1.31 0.00 0.00 55.95 53.90 1uey s SER 32 Cb 0.00 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1uey s SER 32 CO 0.00 -0.23 1.16 0.54 0.41 0.00 0.00 173.24 175.13 1uey s VAL 33 N -0.52 2.91 -0.19 3.43 0.11 -1.04 -4.58 120.40 120.52 1uey s VAL 33 Ca 0.19 0.55 -0.06 0.00 -2.93 0.00 0.00 61.98 59.73 1uey s VAL 33 Cb -0.20 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1uey s VAL 33 CO -0.04 -0.15 0.03 -1.58 -3.33 0.00 0.00 175.10 170.03 1uey s GLN 34 N -3.42 3.81 -0.32 1.54 0.74 -1.23 0.17 119.66 120.96 1uey s GLN 34 Ca 0.74 -0.43 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 1uey s GLN 34 Cb -0.26 -3.13 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1uey s GLN 34 CO 0.32 0.18 0.13 -1.17 -0.55 0.00 0.00 175.29 174.20 1uey s LEU 35 N 0.59 4.12 -0.29 3.68 2.96 -0.20 -0.32 118.68 129.23 1uey s LEU 35 Ca 0.01 -0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 53.07 1uey s LEU 35 Cb -0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1uey s LEU 35 CO 0.02 -0.23 0.32 -0.44 -1.32 0.00 0.00 176.35 174.69 1uey s SER 36 N 1.55 6.17 0.31 3.68 0.01 0.35 -3.31 113.70 122.45 1uey s SER 36 Ca 0.03 0.10 0.09 0.00 1.31 0.00 0.00 55.95 57.48 1uey s SER 36 Cb -0.18 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 1uey s SER 36 CO 0.05 -0.17 -0.10 -1.66 0.41 0.00 0.00 173.24 171.76 1uey s TRP 37 N 1.97 2.20 -0.23 2.43 -2.14 -1.15 -1.86 118.94 120.17 1uey s TRP 37 Ca 0.12 -0.54 0.01 0.00 2.66 0.00 0.00 56.10 58.34 1uey s TRP 37 Cb -0.16 -1.21 0.06 0.00 -3.10 0.00 0.00 33.47 29.06 1uey s TRP 37 CO 0.11 0.49 -0.06 0.99 -2.66 0.00 0.00 176.95 175.82 1uey s THR 38 N -2.75 1.50 -0.24 0.66 2.01 -0.63 -4.85 115.64 111.35 1uey s THR 38 Ca 0.31 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1uey s THR 38 Cb 0.02 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1uey s THR 38 CO 0.14 -0.06 1.31 -2.16 -0.69 0.00 0.00 174.62 173.16 1uey s PRO 39 N 1.42 4.04 0.00 4.92 0.04 -1.26 -1.19 135.00 142.96 1uey s PRO 39 Ca -0.05 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1uey s PRO 39 Cb -0.18 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1uey s PRO 39 CO -0.06 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1uey n GLY 40 N 4.05 -0.07 3.65 0.56 0.00 -1.26 -4.97 105.19 107.16 1uey n GLY 40 Ca 0.15 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1uey n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uey n ASP 41 N 0.00 0.65 -0.00 1.61 8.00 -1.26 -4.85 116.55 120.70 1uey n ASP 41 Ca 0.00 0.59 0.07 0.00 0.71 0.00 0.00 54.79 56.16 1uey n ASP 41 Cb 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.55 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uey n ASP 42 N -2.68 1.40 -3.12 -2.24 8.00 -1.26 -1.94 116.55 114.71 1uey n ASP 42 Ca 0.13 -0.30 -0.04 0.00 0.71 0.00 0.00 54.79 55.29 1uey n ASP 42 Cb 0.50 1.40 0.01 0.00 -0.02 0.00 0.00 41.12 43.01 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 -1.73 -7.51 0.00 -2.24 5.03 -1.26 -3.17 115.26 104.38 1uey n ASN 43 Ca -0.01 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1uey n ASN 43 Cb 0.30 -5.20 0.00 0.00 -1.02 0.00 0.00 39.78 33.86 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 -2.06 0.00 -4.63 6.41 3.02 -1.26 -4.24 115.26 112.51 1uey n ASN 44 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 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 -0.44 -2.62 0.00 0.00 177.26 174.20 1uey s SER 45 N 0.00 6.41 0.30 6.41 0.01 -1.19 -4.98 113.70 120.67 1uey s SER 45 Ca 0.00 1.47 -0.28 0.00 1.31 0.00 0.00 55.95 58.44 1uey s SER 45 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1uey s SER 45 CO 0.00 -1.26 1.07 -2.16 0.41 0.00 0.00 173.24 171.31 1uey s PRO 46 N 4.64 4.55 0.41 12.44 0.04 -1.26 -4.56 135.00 151.26 1uey s PRO 46 Ca 0.68 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 1uey s PRO 46 Cb -0.22 -3.05 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1uey s PRO 46 CO 0.28 0.16 1.11 -0.89 0.04 0.00 0.00 177.00 177.70 1uey n ILE 47 N 0.93 2.44 0.00 0.56 2.08 -1.26 -4.43 119.36 119.67 1uey n ILE 47 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1uey n ILE 47 Cb 0.46 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.05 1uey n ILE 47 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1uey n THR 48 N -0.31 0.00 -3.91 1.39 -2.24 -0.21 -4.55 114.28 104.46 1uey n THR 48 Ca 0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1uey n THR 48 Cb 0.39 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.86 0.82 -0.26 -0.78 2.20 -0.86 0.19 119.74 119.20 1uey s LYS 49 Ca 0.00 -1.03 -0.03 0.00 -0.36 0.00 0.00 55.97 54.55 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 -0.25 0.09 -0.06 -0.36 0.00 0.00 175.35 174.77 1uey s PHE 50 N -3.88 0.91 0.31 4.03 0.08 0.12 -1.45 117.98 118.10 1uey s PHE 50 Ca 0.06 -1.07 -0.10 0.00 0.12 0.00 0.00 56.93 55.94 1uey s PHE 50 Cb 0.05 -1.16 -0.07 0.00 -0.57 0.00 0.00 43.02 41.28 1uey s PHE 50 CO -0.10 -0.75 0.65 0.42 -0.10 0.00 0.00 175.22 175.34 1uey s ILE 51 N 1.90 4.85 0.17 0.64 1.01 -0.32 -0.36 121.20 129.08 1uey s ILE 51 Ca 0.06 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.30 1uey s ILE 51 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1uey s ILE 51 CO -0.23 -0.26 -0.09 -0.63 0.00 0.00 0.00 174.94 173.73 1uey s ILE 52 N -2.04 1.25 0.02 2.92 1.09 0.13 0.22 121.20 124.79 1uey s ILE 52 Ca 0.49 -2.08 -0.23 0.00 -1.10 0.00 0.00 60.65 57.73 1uey s ILE 52 Cb -0.11 -1.97 0.05 0.00 -1.06 0.00 0.00 42.46 39.37 1uey s ILE 52 CO 0.24 -0.64 0.51 -1.61 -0.10 0.00 0.00 174.94 173.34 1uey s GLU 53 N -3.75 0.98 0.07 2.79 2.02 0.14 -2.11 118.70 118.84 1uey s GLU 53 Ca 0.20 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1uey s GLU 53 Cb 0.03 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.66 1uey s GLU 53 CO 0.03 -0.33 -0.05 1.52 0.02 0.00 0.00 175.26 176.45 1uey s TYR 54 N -2.02 0.70 0.01 1.61 -0.85 -1.21 0.14 117.35 115.74 1uey s TYR 54 Ca -0.08 -0.96 0.03 0.00 -0.52 0.00 0.00 57.07 55.54 1uey s TYR 54 Cb -0.01 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 1uey s TYR 54 CO 0.02 -0.25 -0.09 -1.83 -1.52 0.00 0.00 175.55 171.87 1uey s GLU 55 N -3.74 0.70 -0.67 -3.49 -1.05 -1.19 -1.39 118.70 107.86 1uey s GLU 55 Ca 0.08 -0.49 -0.22 0.00 -0.15 0.00 0.00 54.97 54.19 1uey s GLU 55 Cb 0.06 -0.64 0.08 0.00 -0.44 0.00 0.00 34.13 33.18 1uey s GLU 55 CO -0.07 0.16 0.95 0.34 0.95 0.00 0.00 175.26 177.60 1uey s ASP 56 N -0.69 6.21 0.45 0.83 -1.08 -1.24 -1.60 116.67 119.55 1uey s ASP 56 Ca 0.00 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.16 1uey s ASP 56 Cb -0.06 -2.41 0.46 0.00 -1.46 0.00 0.00 42.92 39.45 1uey s ASP 56 CO 0.00 -1.39 1.65 0.00 0.52 0.00 0.00 175.17 175.96 1uey h ALA 57 N 9.48 1.00 0.00 3.66 0.00 -1.75 0.58 119.26 132.23 1uey h ALA 57 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uey h ALA 57 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1uey h ALA 57 CO 1.17 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 180.30 1uey n MET 58 N -3.09 0.41 0.01 0.00 0.00 -1.26 -4.30 117.12 108.89 1uey n MET 58 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.70 57.76 1uey n MET 58 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.22 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 -0.20 -3.77 1.12 8.25 -1.11 -5.01 115.22 113.23 1uey n HIS 59 Ca 0.13 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.33 1uey n HIS 59 Cb 0.22 0.40 -0.14 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.10 1.24 -0.43 -0.41 1.02 0.20 -5.08 119.74 115.18 1uey s LYS 60 Ca 0.00 -1.84 -0.29 0.00 0.02 0.00 0.00 55.97 53.87 1uey s LYS 60 Cb 0.00 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1uey s LYS 60 CO 0.00 -1.10 1.42 -1.25 -0.92 0.00 0.00 175.35 173.51 1uey s PRO 61 N 0.64 3.54 0.00 -1.68 0.04 -0.83 -2.66 135.00 134.04 1uey s PRO 61 Ca 0.15 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1uey s PRO 61 Cb -0.23 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1uey s PRO 61 CO -0.06 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1uey n GLY 62 N 5.11 0.52 3.34 0.56 0.00 -1.26 -5.00 105.19 108.46 1uey n GLY 62 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 5.87 0.01 0.99 2.96 -1.09 -5.04 118.68 122.39 1uey s LEU 63 Ca 0.00 -1.61 -0.14 0.00 -0.22 0.00 0.00 54.13 52.16 1uey s LEU 63 Cb 0.00 -2.24 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1uey s LEU 63 CO 0.00 -0.90 0.42 0.26 -1.32 0.00 0.00 176.35 174.81 1uey s TRP 64 N 1.92 3.72 0.02 5.38 0.52 -1.26 -3.72 118.94 125.51 1uey s TRP 64 Ca 0.06 0.99 0.05 0.00 0.02 0.00 0.00 56.10 57.21 1uey s TRP 64 Cb -0.27 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1uey s TRP 64 CO 0.05 0.63 -0.15 -1.01 0.02 0.00 0.00 176.95 176.48 1uey s HIS 65 N -1.12 1.34 -0.32 -1.98 3.76 -0.49 -4.94 115.29 111.54 1uey s HIS 65 Ca 0.25 -0.30 -0.35 0.00 -0.15 0.00 0.00 55.06 54.51 1uey s HIS 65 Cb -0.16 -0.83 -0.11 0.00 1.11 0.00 0.00 32.58 32.59 1uey s HIS 65 CO 0.14 0.01 2.17 1.58 -0.85 0.00 0.00 174.74 177.80 1uey n HIS 66 N 2.29 1.67 0.00 1.40 -0.00 -1.26 -3.30 115.22 116.02 1uey n HIS 66 Ca -0.16 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1uey n HIS 66 Cb 0.55 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 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 8.13 0.00 -3.57 1.57 -0.06 -0.90 -4.98 117.38 117.57 1uey n GLN 67 Ca 0.39 0.05 -0.08 0.00 -2.00 0.00 0.00 57.00 55.36 1uey n GLN 67 Cb 0.25 -0.41 -0.04 0.00 -4.06 0.00 0.00 30.24 25.98 1uey n GLN 67 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1uey s THR 68 N -0.16 0.00 0.19 1.69 -1.32 -1.20 -5.00 115.64 109.85 1uey s THR 68 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1uey s THR 68 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1uey s THR 68 CO 0.00 0.00 -0.14 -1.83 -2.21 0.00 0.00 174.62 170.44 1uey s GLU 69 N -1.88 1.28 0.21 7.08 -1.05 -1.26 0.18 118.70 123.27 1uey s GLU 69 Ca 0.03 -1.56 0.04 0.00 -0.15 0.00 0.00 54.97 53.33 1uey s GLU 69 Cb -0.01 -1.05 -0.01 0.00 -0.44 0.00 0.00 34.13 32.62 1uey s GLU 69 CO -0.03 0.17 0.14 1.33 0.95 0.00 0.00 175.26 177.82 1uey n VAL 70 N -0.32 0.00 -0.96 1.83 0.24 0.51 -4.92 118.33 114.72 1uey n VAL 70 Ca -0.09 -1.40 -0.28 0.00 -2.04 0.00 0.00 64.34 60.53 1uey n VAL 70 Cb 0.60 0.63 0.23 0.00 -1.47 0.00 0.00 33.84 33.84 1uey n VAL 70 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uey n SER 71 N -2.07 -2.14 -1.77 -1.34 7.64 -1.26 0.16 113.62 112.84 1uey n SER 71 Ca 0.02 -1.10 0.08 0.00 1.01 0.00 0.00 58.87 58.87 1uey n SER 71 Cb 0.35 -0.93 0.39 0.00 -1.01 0.00 0.00 64.21 63.01 1uey n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uey n GLY 72 N -4.28 3.02 0.03 0.23 0.00 0.52 -3.15 105.19 101.56 1uey n GLY 72 Ca 0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 0.66 0.45 -2.32 2.61 -1.04 -1.26 -4.59 114.28 108.79 1uey n THR 73 Ca 0.27 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1uey n THR 73 Cb 1.12 -0.82 0.08 0.00 -1.82 0.00 0.00 70.33 68.88 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 -2.16 2.09 0.00 -2.82 -2.07 -1.26 -5.02 119.66 108.42 1uey s GLN 74 Ca -0.03 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 1uey s GLN 74 Cb 0.02 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.71 1uey s GLN 74 CO 0.27 -1.24 0.68 0.25 -1.32 0.00 0.00 175.29 173.93 1uey n THR 75 N -2.85 0.00 -3.74 3.63 -2.24 -1.26 -4.92 114.28 102.90 1uey n THR 75 Ca 0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.71 1uey n THR 75 Cb 0.60 0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.08 0.14 4.28 -4.23 -1.26 -2.91 115.64 111.58 1uey s THR 76 Ca 0.00 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1uey s THR 76 Cb 0.00 -0.12 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 1uey s THR 76 CO 0.00 0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.19 1uey s ALA 77 N 1.41 1.14 0.05 3.99 0.00 -1.21 -4.98 121.76 122.16 1uey s ALA 77 Ca -0.05 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.42 1uey s ALA 77 Cb -0.13 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1uey s ALA 77 CO -0.03 -0.34 0.09 -0.65 0.00 0.00 0.00 175.76 174.83 1uey s GLN 78 N -3.93 2.99 -0.15 0.00 -0.21 -1.26 -1.03 119.66 116.06 1uey s GLN 78 Ca 0.21 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.98 1uey s GLN 78 Cb 0.06 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.30 1uey s GLN 78 CO 0.01 0.59 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.13 1uey s LEU 79 N -2.22 1.72 -0.56 2.90 2.01 0.13 -4.88 118.68 117.78 1uey s LEU 79 Ca 0.28 -0.51 -0.28 0.00 0.01 0.00 0.00 54.13 53.62 1uey s LEU 79 Cb -0.12 -1.18 0.03 0.00 0.01 0.00 0.00 46.19 44.92 1uey s LEU 79 CO 0.20 -0.06 1.21 0.20 1.01 0.00 0.00 176.35 178.91 1uey s ASN 80 N 1.48 6.44 0.24 2.29 -0.87 -1.26 -2.50 114.94 120.76 1uey s ASN 80 Ca 0.05 0.18 0.06 0.00 -1.57 0.00 0.00 52.86 51.57 1uey s ASN 80 Cb -0.13 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.49 1uey s ASN 80 CO -0.11 -1.47 -0.06 -1.48 -2.57 0.00 0.00 177.10 171.41 1uey s LEU 81 N 5.00 2.41 0.39 0.60 2.34 -1.16 -5.07 118.68 123.18 1uey s LEU 81 Ca 0.45 -1.15 0.08 0.00 0.06 0.00 0.00 54.13 53.56 1uey s LEU 81 Cb -0.08 -0.49 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 1uey s LEU 81 CO 0.26 -0.37 0.26 -0.44 -1.06 0.00 0.00 176.35 175.01 1uey s SER 82 N -3.35 4.81 0.51 1.48 0.01 -1.26 -4.75 113.70 111.16 1uey s SER 82 Ca 0.26 -0.83 -0.19 0.00 1.31 0.00 0.00 55.95 56.51 1uey s SER 82 Cb 0.03 -0.62 -0.07 0.00 0.21 0.00 0.00 66.02 65.57 1uey s SER 82 CO 0.09 -0.52 1.04 -2.16 0.41 0.00 0.00 173.24 172.10 1uey s PRO 83 N -3.99 3.70 -1.11 12.44 0.04 -1.26 -4.01 135.00 140.81 1uey s PRO 83 Ca 0.43 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1uey s PRO 83 Cb -0.01 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1uey s PRO 83 CO 0.25 -0.51 0.93 0.66 0.04 0.00 0.00 177.00 178.37 1uey n TYR 84 N -1.24 -2.34 -3.28 0.56 4.01 -1.26 -5.02 117.16 108.60 1uey n TYR 84 Ca 0.09 0.86 -0.00 0.00 -0.16 0.00 0.00 57.90 58.69 1uey n TYR 84 Cb 0.53 -4.40 -0.03 0.00 -0.31 0.00 0.00 39.34 35.12 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 -3.40 -0.89 0.49 -0.72 1.01 -1.26 -5.14 120.40 110.51 1uey s VAL 85 Ca 0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1uey s VAL 85 Cb -0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1uey s VAL 85 CO 0.75 -0.03 0.78 0.21 0.00 0.00 0.00 175.10 176.81 1uey s ASN 86 N 2.78 6.08 0.00 3.32 2.47 -1.26 -4.50 114.94 123.82 1uey s ASN 86 Ca 0.15 0.78 0.00 0.00 0.42 0.00 0.00 52.86 54.21 1uey s ASN 86 Cb -0.15 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 1uey s ASN 86 CO -0.19 -0.67 0.00 0.00 -3.72 0.00 0.00 177.10 172.52 1uey n TYR 87 N -2.27 0.00 -3.67 0.43 0.18 -1.25 -3.60 117.16 106.98 1uey n TYR 87 Ca 0.01 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.56 1uey n TYR 87 Cb 0.56 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.53 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 2.46 -3.69 9.48 3.41 -0.62 -3.87 113.62 120.78 1uey n SER 88 Ca 0.00 -2.66 -0.16 0.00 -0.26 0.00 0.00 58.87 55.79 1uey n SER 88 Cb 0.00 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.46 -0.20 -0.09 7.33 0.08 -1.26 -3.17 117.98 118.21 1uey s PHE 89 Ca 0.35 0.61 0.04 0.00 0.12 0.00 0.00 56.93 58.04 1uey s PHE 89 Cb -0.03 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.22 1uey s PHE 89 CO 0.22 -0.25 -0.21 -0.98 -0.10 0.00 0.00 175.22 173.90 1uey s ARG 90 N 1.98 2.95 0.02 0.44 1.70 0.38 -1.97 118.95 124.45 1uey s ARG 90 Ca -0.01 -0.83 -0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1uey s ARG 90 Cb -0.12 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1uey s ARG 90 CO -0.06 0.28 0.11 0.08 -1.08 0.00 0.00 175.30 174.63 1uey s VAL 91 N 0.13 4.90 0.08 4.99 1.01 -1.26 0.26 120.40 130.50 1uey s VAL 91 Ca -0.11 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1uey s VAL 91 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1uey s VAL 91 CO 0.06 0.28 -0.12 -0.04 0.00 0.00 0.00 175.10 175.27 1uey s MET 92 N -1.99 0.81 -0.05 2.72 -1.94 0.60 0.26 119.30 119.71 1uey s MET 92 Ca 0.26 -1.01 0.06 0.00 -1.71 0.00 0.00 55.69 53.30 1uey s MET 92 Cb -0.12 -0.70 -0.01 0.00 2.01 0.00 0.00 34.83 36.00 1uey s MET 92 CO 0.18 0.14 -0.25 0.00 -0.01 0.00 0.00 175.02 175.08 1uey s ALA 93 N -1.64 2.17 -0.06 3.03 0.00 -1.26 -1.18 121.76 122.82 1uey s ALA 93 Ca -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1uey s ALA 93 Cb -0.08 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1uey s ALA 93 CO 0.02 0.43 -0.12 0.08 0.00 0.00 0.00 175.76 176.17 1uey s VAL 94 N -0.23 1.08 0.00 0.00 1.01 -0.53 -0.50 120.40 121.24 1uey s VAL 94 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1uey s VAL 94 Cb -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1uey s VAL 94 CO 0.03 0.34 0.00 -0.46 0.00 0.00 0.00 175.10 175.01 1uey n ASN 95 N 3.70 0.73 -0.31 3.32 0.23 -0.52 -1.04 115.26 121.37 1uey n ASN 95 Ca -0.22 -0.74 0.12 0.00 -0.53 0.00 0.00 54.58 53.21 1uey n ASN 95 Cb 0.52 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.51 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 0.49 0.00 0.53 0.02 -1.89 -3.14 113.55 109.57 1uey h SER 96 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1uey h SER 96 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1uey h SER 96 CO 0.00 0.12 0.00 -0.38 -1.14 0.00 0.00 176.83 175.43 1uey n ILE 97 N -4.94 0.00 -1.35 3.27 2.08 -1.26 -5.05 119.36 112.11 1uey n ILE 97 Ca 0.21 0.69 0.00 0.00 0.56 0.00 0.00 62.75 64.22 1uey n ILE 97 Cb 0.59 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 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 -0.14 3.23 3.42 7.39 0.00 -1.19 -5.01 105.19 112.89 1uey n GLY 98 Ca 0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 1.66 3.35 1.03 1.61 2.20 -1.26 -1.44 119.74 126.88 1uey s LYS 99 Ca 0.00 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.74 1uey s LYS 99 Cb 0.00 -3.48 0.26 0.00 -1.51 0.00 0.00 37.83 33.10 1uey s LYS 99 CO 0.00 -0.38 0.72 -1.13 -0.36 0.00 0.00 175.35 174.21 1uey n SER 100 N 4.95 -2.87 -4.83 1.43 3.41 0.35 -4.98 113.62 111.07 1uey n SER 100 Ca -0.14 -0.80 -0.31 0.00 -0.26 0.00 0.00 58.87 57.36 1uey n SER 100 Cb 0.49 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1uey n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uey s LEU 101 N 0.00 3.05 0.26 1.04 1.43 -1.26 -4.64 118.68 118.55 1uey s LEU 101 Ca 0.51 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.83 1uey s LEU 101 Cb -0.07 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 1uey s LEU 101 CO 0.41 -1.44 1.09 -2.16 0.23 0.00 0.00 176.35 174.49 1uey s PRO 102 N -5.10 4.65 0.64 1.29 0.04 -1.26 -4.59 135.00 130.67 1uey s PRO 102 Ca 0.58 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 1uey s PRO 102 Cb -0.13 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 1uey s PRO 102 CO 0.55 0.21 0.12 -1.13 0.04 0.00 0.00 177.00 176.78 1uey n SER 103 N 1.43 -2.69 0.00 6.66 3.41 0.14 -4.82 113.62 117.74 1uey n SER 103 Ca -0.01 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1uey n SER 103 Cb 0.45 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.67 0.00 0.00 4.33 1.02 -1.26 -4.67 120.64 120.73 1uey n GLU 104 Ca 0.08 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1uey n GLU 104 Cb 0.49 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 -2.63 0.00 -0.89 0.62 0.00 -1.26 -5.02 120.51 111.32 1uey n ALA 105 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1uey n ALA 105 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.63 -4.01 0.00 2.88 -0.83 -4.90 113.62 103.13 1uey n SER 106 Ca 0.00 0.09 -0.28 0.00 -1.33 0.00 0.00 58.87 57.35 1uey n SER 106 Cb 0.00 -0.81 0.24 0.00 -0.75 0.00 0.00 64.21 62.89 1uey n SER 106 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1uey n GLU 107 N 0.74 -2.95 -2.98 -1.46 -0.00 -1.26 -4.52 120.64 108.22 1uey n GLU 107 Ca 0.00 -0.85 -0.44 0.00 -0.00 0.00 0.00 57.16 55.87 1uey n GLU 107 Cb 0.63 -1.90 -0.03 0.00 -0.00 0.00 0.00 31.44 30.13 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1uey s GLN 108 N -4.21 3.28 -0.18 3.44 -0.21 -1.26 -4.54 119.66 115.97 1uey s GLN 108 Ca 0.61 -1.37 -0.18 0.00 0.02 0.00 0.00 55.36 54.45 1uey s GLN 108 Cb -0.17 -4.47 -0.04 0.00 1.00 0.00 0.00 33.01 29.34 1uey s GLN 108 CO 0.60 -1.69 0.48 -0.47 -2.12 0.00 0.00 175.29 172.08 1uey s TYR 109 N 2.99 3.41 -0.21 0.91 5.04 -1.25 -4.97 117.35 123.27 1uey s TYR 109 Ca 0.22 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1uey s TYR 109 Cb -0.15 -2.61 0.04 0.00 0.35 0.00 0.00 41.96 39.60 1uey s TYR 109 CO 0.02 -0.01 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.91 1uey s LEU 110 N 1.30 2.55 0.00 6.97 0.20 -1.26 -4.22 118.68 124.22 1uey s LEU 110 Ca 0.23 -0.95 -0.10 0.00 0.69 0.00 0.00 54.13 54.00 1uey s LEU 110 Cb -0.15 -1.40 0.16 0.00 -0.43 0.00 0.00 46.19 44.37 1uey s LEU 110 CO 0.09 -0.11 0.36 0.35 -0.29 0.00 0.00 176.35 176.75 1uey n THR 111 N 4.59 0.00 -4.27 3.68 -2.24 -1.26 -5.03 114.28 109.76 1uey n THR 111 Ca -0.16 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1uey n THR 111 Cb 0.46 -0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 1uey n THR 111 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1uey s LYS 112 N -3.18 0.76 -0.42 -0.78 1.02 -1.26 -4.80 119.74 111.08 1uey s LYS 112 Ca 0.28 -0.64 0.08 0.00 0.02 0.00 0.00 55.97 55.71 1uey s LYS 112 Cb -0.05 -0.72 0.26 0.00 -0.52 0.00 0.00 37.83 36.80 1uey s LYS 112 CO 0.23 0.18 0.65 0.00 -0.92 0.00 0.00 175.35 175.48 1uey n ALA 113 N 2.04 1.34 -3.76 5.17 0.00 -1.26 -4.88 120.51 119.16 1uey n ALA 113 Ca -0.18 -2.84 -0.28 0.00 0.00 0.00 0.00 53.44 50.14 1uey n ALA 113 Cb 0.55 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 1.36 -3.14 0.00 0.00 2.88 -1.26 -4.95 113.62 108.51 1uey n SER 114 Ca 0.18 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1uey n SER 114 Cb 0.57 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.62 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 -4.25 0.00 -1.53 -1.46 2.13 -1.26 -5.18 120.64 109.09 1uey n GLU 115 Ca -0.19 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.33 1uey n GLU 115 Cb 0.63 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.52 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 -0.09 0.49 0.00 5.31 0.04 -1.26 -4.89 135.00 134.60 1uey s PRO 116 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1uey s PRO 116 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1uey s PRO 116 CO 0.00 -2.59 0.00 -0.25 0.04 0.00 0.00 177.00 174.20 1uey n ASP 117 N -3.99 0.00 -3.67 6.66 8.00 -1.26 -5.04 116.55 117.24 1uey n ASP 117 Ca 0.10 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 1uey n ASP 117 Cb 0.59 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1uey n ASP 117 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1uey n LYS 118 N 0.00 3.76 -3.32 -1.24 0.00 -1.26 -4.71 118.16 111.40 1uey n LYS 118 Ca 0.00 -3.20 -0.27 0.00 0.00 0.00 0.00 58.31 54.84 1uey n LYS 118 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 35.03 32.17 1uey n LYS 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1uey n ASN 119 N 3.62 -6.19 -4.67 3.14 2.85 -1.26 -4.82 115.26 107.92 1uey n ASN 119 Ca 0.52 0.11 -0.43 0.00 -0.11 0.00 0.00 54.58 54.67 1uey n ASN 119 Cb 0.32 -2.47 -0.02 0.00 1.24 0.00 0.00 39.78 38.84 1uey n ASN 119 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1uey s PRO 120 N -2.26 4.29 0.03 1.20 0.04 -1.26 -5.01 135.00 132.03 1uey s PRO 120 Ca 0.30 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1uey s PRO 120 Cb -0.04 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1uey s PRO 120 CO 0.74 -0.58 0.04 -0.08 0.04 0.00 0.00 177.00 177.16 1uey s THR 121 N 2.84 0.14 -0.62 1.26 -1.32 -1.26 -5.03 115.64 111.65 1uey s THR 121 Ca 0.56 -1.15 -0.12 0.00 -1.21 0.00 0.00 61.69 59.76 1uey s THR 121 Cb -0.24 -0.80 0.16 0.00 -1.51 0.00 0.00 72.50 70.11 1uey s THR 121 CO 0.19 -0.64 0.54 -0.55 -2.21 0.00 0.00 174.62 171.95 1uey s SER 122 N -2.04 6.15 0.00 8.08 0.15 -1.26 -4.94 113.70 119.84 1uey s SER 122 Ca -0.07 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.37 1uey s SER 122 Cb -0.02 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1uey s SER 122 CO -0.04 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1uey n GLY 123 N 4.58 -0.02 3.18 9.45 0.00 -1.26 -5.14 105.19 115.97 1uey n GLY 123 Ca -0.01 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 1uey n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uey n PRO 124 N 0.00 -1.96 -4.22 1.61 -0.04 -1.26 -5.09 135.00 124.03 1uey n PRO 124 Ca 0.00 -1.65 -0.24 0.00 -0.04 0.00 0.00 63.50 61.58 1uey n PRO 124 Cb 0.00 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 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 -4.64 4.44 -0.81 3.54 0.15 -1.26 -5.03 113.70 110.08 1uey s SER 125 Ca 0.63 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1uey s SER 125 Cb -0.04 -0.64 0.20 0.00 -1.71 0.00 0.00 66.02 63.83 1uey s SER 125 CO 0.46 -0.25 0.66 -0.44 1.20 0.00 0.00 173.24 174.87 1uey s SER 126 N -3.77 5.51 0.00 5.45 0.01 -1.26 -5.29 113.70 114.35 1uey s SER 126 Ca 0.36 -3.78 0.00 0.00 1.31 0.00 0.00 55.95 53.84 1uey s SER 126 Cb -0.02 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1uey s SER 126 CO 0.21 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.33