#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 4.12 0.00 1.61 0.01 -1.26 -5.03 113.70 113.16 1uey s SER 2 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1uey s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1uey s SER 2 CO 0.00 -2.30 0.00 -0.24 0.41 0.00 0.00 173.24 171.11 1uey n SER 3 N -3.30 0.00 0.00 2.44 2.88 -1.26 -5.16 113.62 109.22 1uey n SER 3 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1uey n SER 3 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.10 1.04 2.00 0.46 0.00 -1.26 -5.15 105.19 102.17 1uey n GLY 4 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1uey n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uey n SER 5 N 0.00 -8.64 -0.01 1.61 7.64 -1.26 -4.94 113.62 108.02 1uey n SER 5 Ca 0.00 1.31 -0.20 0.00 1.01 0.00 0.00 58.87 61.00 1uey n SER 5 Cb 0.00 -4.89 -0.14 0.00 -1.01 0.00 0.00 64.21 58.18 1uey n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uey n SER 6 N 1.82 1.97 -0.12 6.43 7.64 -1.26 -5.06 113.62 125.04 1uey n SER 6 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1uey n SER 6 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1uey n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uey n GLY 7 N 1.97 -0.20 3.73 0.23 0.00 -1.26 -5.06 105.19 104.60 1uey n GLY 7 Ca -0.31 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.24 4.53 -0.08 1.61 0.04 -1.26 -4.97 135.00 134.63 1uey s PRO 8 Ca 0.00 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.55 1uey s PRO 8 Cb 0.00 -3.30 -0.19 0.00 0.04 0.00 0.00 34.50 31.04 1uey s PRO 8 CO 0.00 -0.05 0.89 1.15 0.04 0.00 0.00 177.00 179.02 1uey h THR 9 N 4.01 1.26 0.00 1.26 2.02 -1.97 -3.41 112.91 116.09 1uey h THR 9 Ca -0.43 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1uey h THR 9 Cb 1.21 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1uey h THR 9 CO 0.75 0.36 0.00 -0.81 0.37 0.00 0.00 175.52 176.19 1uey n PRO 10 N -4.79 0.00 -1.36 6.66 -0.04 -1.26 -4.86 135.00 129.34 1uey n PRO 10 Ca -0.08 0.41 -0.45 0.00 -0.04 0.00 0.00 63.50 63.34 1uey n PRO 10 Cb 0.32 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1uey n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uey n ALA 11 N -1.74 -2.82 -1.52 0.55 0.00 -1.26 -4.92 120.51 108.79 1uey n ALA 11 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1uey n ALA 11 Cb 0.00 -1.57 0.21 0.00 0.00 0.00 0.00 19.45 18.09 1uey n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uey s PRO 12 N -1.03 -0.22 -0.43 0.00 0.04 -1.26 -4.73 135.00 127.35 1uey s PRO 12 Ca 0.62 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.46 1uey s PRO 12 Cb -0.79 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.17 1uey s PRO 12 CO 0.59 -3.02 0.30 0.54 0.04 0.00 0.00 177.00 175.45 1uey s VAL 13 N -3.46 0.81 0.19 -0.36 0.11 -1.26 -4.94 120.40 111.49 1uey s VAL 13 Ca 0.72 -2.55 -0.03 0.00 -2.93 0.00 0.00 61.98 57.19 1uey s VAL 13 Cb -0.07 -1.57 0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1uey s VAL 13 CO 0.54 -1.07 0.16 -1.22 -3.33 0.00 0.00 175.10 170.19 1uey n TYR 14 N 3.23 -3.07 0.00 1.54 4.01 -1.26 -4.78 117.16 116.84 1uey n TYR 14 Ca 0.19 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1uey n TYR 14 Cb 0.40 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1uey n ASP 15 N -3.29 0.00 -0.95 7.72 8.00 -1.26 -5.04 116.55 121.73 1uey n ASP 15 Ca 0.02 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.61 1uey n ASP 15 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.32 -2.41 2.53 0.24 -1.26 -4.57 118.33 112.54 1uey n VAL 16 Ca 0.00 0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 62.26 1uey n VAL 16 Cb 0.00 -0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 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 -4.26 4.18 0.97 7.34 0.04 -1.25 -4.50 135.00 137.52 1uey s PRO 17 Ca 0.00 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 1uey s PRO 17 Cb 0.00 -3.79 -0.14 0.00 0.04 0.00 0.00 34.50 30.61 1uey s PRO 17 CO 0.00 -0.78 -0.71 0.09 0.04 0.00 0.00 177.00 175.64 1uey n ASN 18 N 6.79 -5.73 -4.80 6.66 5.03 -0.96 -4.40 115.26 117.86 1uey n ASN 18 Ca 0.14 0.21 -0.34 0.00 0.87 0.00 0.00 54.58 55.46 1uey n ASN 18 Cb 0.45 -0.79 -0.04 0.00 -1.02 0.00 0.00 39.78 38.39 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 -2.03 3.84 0.77 3.52 0.04 -1.26 -4.45 135.00 135.43 1uey s PRO 19 Ca 0.42 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1uey s PRO 19 Cb -0.20 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.26 1uey s PRO 19 CO 0.81 -0.40 1.09 -1.25 0.04 0.00 0.00 177.00 177.29 1uey s PRO 20 N -3.17 2.28 0.30 0.56 0.04 -1.26 -4.22 135.00 129.53 1uey s PRO 20 Ca 0.66 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1uey s PRO 20 Cb -0.17 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1uey s PRO 20 CO 0.20 -1.50 0.36 1.97 0.04 0.00 0.00 177.00 178.07 1uey n PHE 21 N -3.36 -1.08 -1.26 0.56 -1.74 -0.79 -4.41 117.46 105.38 1uey n PHE 21 Ca 0.07 -2.20 -0.09 0.00 -0.56 0.00 0.00 57.45 54.67 1uey n PHE 21 Cb 0.56 0.39 -0.04 0.00 1.52 0.00 0.00 39.48 41.91 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 -1.76 -5.52 -4.65 5.98 2.03 -1.26 -2.81 116.55 108.56 1uey n ASP 22 Ca 0.03 0.22 -0.64 0.00 0.52 0.00 0.00 54.79 54.92 1uey n ASP 22 Cb 0.52 -3.80 -0.09 0.00 -0.72 0.00 0.00 41.12 37.02 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uey n LEU 23 N -1.01 0.75 -4.23 -2.67 4.32 -1.26 -4.85 117.00 108.05 1uey n LEU 23 Ca -0.09 1.18 -0.13 0.00 -0.02 0.00 0.00 56.01 56.95 1uey n LEU 23 Cb 0.53 -0.90 -0.10 0.00 -1.62 0.00 0.00 43.42 41.33 1uey n LEU 23 CO 0.14 -1.26 -0.28 -0.70 -1.22 0.00 0.00 177.39 174.06 1uey s GLU 24 N 1.79 1.17 -0.16 3.23 2.56 -0.88 -4.72 118.70 121.70 1uey s GLU 24 Ca 0.99 -1.59 -0.01 0.00 0.00 0.00 0.00 54.97 54.35 1uey s GLU 24 Cb -1.40 -0.02 0.04 0.00 2.00 0.00 0.00 34.13 34.75 1uey s GLU 24 CO 0.71 -0.26 -0.02 -0.51 -0.56 0.00 0.00 175.26 174.62 1uey s LEU 25 N -3.18 1.31 -0.09 2.70 1.43 -1.26 -2.63 118.68 116.96 1uey s LEU 25 Ca 0.31 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1uey s LEU 25 Cb 0.07 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.60 1uey s LEU 25 CO 0.08 -0.22 0.20 0.42 0.23 0.00 0.00 176.35 177.06 1uey s THR 26 N 1.76 -0.05 0.00 5.49 -4.23 -1.07 -5.04 115.64 112.51 1uey s THR 26 Ca 0.01 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1uey s THR 26 Cb -0.15 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1uey s THR 26 CO -0.07 0.07 0.00 -0.90 -0.54 0.00 0.00 174.62 173.17 1uey n ASP 27 N 4.24 0.00 -1.62 3.99 5.75 -1.26 -3.57 116.55 124.07 1uey n ASP 27 Ca -0.26 -0.84 -0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1uey n ASP 27 Cb 0.52 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.63 1uey n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uey n GLN 28 N 0.00 0.19 -3.93 0.11 10.64 -1.26 -5.02 117.38 118.11 1uey n GLN 28 Ca 0.00 -0.17 -0.09 0.00 -1.83 0.00 0.00 57.00 54.90 1uey n GLN 28 Cb 0.00 0.08 -0.09 0.00 -0.86 0.00 0.00 30.24 29.37 1uey n GLN 28 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1uey s LEU 29 N -0.57 1.83 -0.67 2.61 2.34 -1.26 -5.04 118.68 117.92 1uey s LEU 29 Ca 0.01 -0.52 -0.02 0.00 0.06 0.00 0.00 54.13 53.66 1uey s LEU 29 Cb 0.06 0.57 0.39 0.00 -0.56 0.00 0.00 46.19 46.65 1uey s LEU 29 CO -0.02 -0.49 2.07 -0.67 -1.06 0.00 0.00 176.35 176.18 1uey n ASP 30 N 0.84 7.50 0.02 1.48 -0.08 -1.26 -4.23 116.55 120.83 1uey n ASP 30 Ca -0.19 -3.71 0.00 0.00 -1.51 0.00 0.00 54.79 49.38 1uey n ASP 30 Cb 0.58 -1.02 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1uey n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1uey n LYS 31 N -0.63 0.00 -3.86 -0.67 4.76 -1.26 -5.14 118.16 111.36 1uey n LYS 31 Ca 0.57 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.93 1uey n LYS 31 Cb 0.54 -0.27 -0.01 0.00 -1.84 0.00 0.00 35.03 33.45 1uey n LYS 31 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1uey s SER 32 N -5.14 -0.10 0.08 4.39 0.01 -1.26 -4.90 113.70 106.78 1uey s SER 32 Ca 0.00 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.43 1uey s SER 32 Cb 0.00 0.76 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1uey s SER 32 CO 0.00 -1.45 -0.02 0.54 0.41 0.00 0.00 173.24 172.72 1uey s VAL 33 N -3.30 3.94 -0.25 3.43 0.11 -1.17 -4.48 120.40 118.67 1uey s VAL 33 Ca 0.14 -0.96 -0.10 0.00 -2.93 0.00 0.00 61.98 58.14 1uey s VAL 33 Cb -0.05 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 1uey s VAL 33 CO 0.09 0.17 0.14 -1.58 -3.33 0.00 0.00 175.10 170.59 1uey s GLN 34 N -2.15 3.92 -0.40 1.54 0.74 -1.23 0.49 119.66 122.56 1uey s GLN 34 Ca 0.24 -0.34 -0.17 0.00 0.05 0.00 0.00 55.36 55.14 1uey s GLN 34 Cb -0.12 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.50 1uey s GLN 34 CO 0.16 -0.07 0.44 -1.17 -0.55 0.00 0.00 175.29 174.11 1uey s LEU 35 N 1.40 4.74 -0.33 3.68 2.96 -0.16 -2.59 118.68 128.38 1uey s LEU 35 Ca 0.07 -0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 1uey s LEU 35 Cb -0.15 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1uey s LEU 35 CO 0.07 -0.55 0.33 -0.44 -1.32 0.00 0.00 176.35 174.44 1uey s SER 36 N 1.81 6.16 0.32 3.68 0.01 -1.08 -2.73 113.70 121.86 1uey s SER 36 Ca 0.13 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.29 1uey s SER 36 Cb -0.17 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1uey s SER 36 CO 0.14 -0.29 -0.01 -1.66 0.41 0.00 0.00 173.24 171.82 1uey s TRP 37 N 1.96 2.55 -0.26 2.43 -2.14 -0.85 -2.07 118.94 120.57 1uey s TRP 37 Ca 0.11 -0.37 0.03 0.00 2.66 0.00 0.00 56.10 58.53 1uey s TRP 37 Cb -0.17 -1.36 0.06 0.00 -3.10 0.00 0.00 33.47 28.90 1uey s TRP 37 CO 0.11 0.53 -0.11 0.99 -2.66 0.00 0.00 176.95 175.82 1uey s THR 38 N -2.47 2.15 -0.49 0.66 2.01 -1.12 -4.82 115.64 111.56 1uey s THR 38 Ca 0.34 -1.63 -0.28 0.00 0.31 0.00 0.00 61.69 60.42 1uey s THR 38 Cb -0.02 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1uey s THR 38 CO 0.19 -0.04 1.45 -2.16 -0.69 0.00 0.00 174.62 173.38 1uey s PRO 39 N 1.11 3.39 0.00 4.92 0.04 -1.26 -1.88 135.00 141.32 1uey s PRO 39 Ca -0.09 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1uey s PRO 39 Cb -0.20 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1uey s PRO 39 CO -0.05 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.59 1uey n GLY 40 N 5.21 -1.87 3.45 0.56 0.00 -1.26 -4.95 105.19 106.33 1uey n GLY 40 Ca 0.15 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.55 -0.00 1.61 8.00 -1.26 -4.83 116.55 118.52 1uey n ASP 41 Ca 0.00 0.10 0.04 0.00 0.71 0.00 0.00 54.79 55.64 1uey n ASP 41 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 39.83 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uey n ASP 42 N -3.03 2.48 -3.02 -2.24 8.00 -1.26 -2.26 116.55 115.23 1uey n ASP 42 Ca 0.05 -0.17 -0.03 0.00 0.71 0.00 0.00 54.79 55.35 1uey n ASP 42 Cb 0.56 1.27 0.01 0.00 -0.02 0.00 0.00 41.12 42.94 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 -1.63 -7.28 0.00 -2.24 5.03 -1.26 -3.24 115.26 104.64 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 0.18 -5.07 0.00 0.00 -1.02 0.00 0.00 39.78 33.87 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 -4.63 6.41 3.02 -1.26 -4.16 115.26 112.61 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 -0.44 -2.62 0.00 0.00 177.26 174.20 1uey s SER 45 N 0.00 6.57 0.37 6.41 0.01 -1.20 -4.98 113.70 120.88 1uey s SER 45 Ca 0.00 1.47 -0.25 0.00 1.31 0.00 0.00 55.95 58.48 1uey s SER 45 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1uey s SER 45 CO 0.00 -1.12 1.06 -2.16 0.41 0.00 0.00 173.24 171.43 1uey s PRO 46 N 4.32 4.28 0.56 12.44 0.04 -1.26 -4.53 135.00 150.85 1uey s PRO 46 Ca 0.63 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 1uey s PRO 46 Cb -0.21 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1uey s PRO 46 CO 0.25 -0.06 1.34 1.51 0.04 0.00 0.00 177.00 180.08 1uey n ILE 47 N 0.23 4.01 0.00 0.56 0.00 -1.26 -4.26 119.36 118.64 1uey n ILE 47 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.29 1uey n ILE 47 Cb 0.48 -1.62 0.00 0.00 0.00 0.00 0.00 39.64 38.50 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 -1.19 0.00 -3.79 9.51 -2.24 0.00 -4.60 114.28 111.96 1uey n THR 48 Ca 0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1uey n THR 48 Cb 0.45 -0.66 -0.07 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 -1.69 0.89 -0.25 -0.78 2.20 -0.92 0.25 119.74 119.43 1uey s LYS 49 Ca 0.00 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1uey s LYS 49 Cb 0.00 0.37 0.08 0.00 -1.51 0.00 0.00 37.83 36.77 1uey s LYS 49 CO 0.00 -0.30 0.08 -0.06 -0.36 0.00 0.00 175.35 174.71 1uey s PHE 50 N -3.59 1.05 0.38 4.03 0.08 0.30 -1.35 117.98 118.87 1uey s PHE 50 Ca 0.02 -1.13 -0.06 0.00 0.12 0.00 0.00 56.93 55.88 1uey s PHE 50 Cb 0.03 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.22 1uey s PHE 50 CO -0.10 -0.75 0.69 0.42 -0.10 0.00 0.00 175.22 175.38 1uey s ILE 51 N 1.85 4.92 -0.01 0.64 1.09 -0.39 -1.09 121.20 128.21 1uey s ILE 51 Ca 0.05 0.25 0.04 0.00 -1.10 0.00 0.00 60.65 59.88 1uey s ILE 51 Cb -0.17 -3.78 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1uey s ILE 51 CO -0.21 -0.55 -0.12 -0.63 -0.10 0.00 0.00 174.94 173.34 1uey s ILE 52 N -2.37 0.94 0.06 2.92 1.09 0.13 0.20 121.20 124.17 1uey s ILE 52 Ca 0.47 -0.50 0.04 0.00 -1.10 0.00 0.00 60.65 59.57 1uey s ILE 52 Cb -0.10 -0.79 -0.03 0.00 -1.06 0.00 0.00 42.46 40.48 1uey s ILE 52 CO 0.35 0.27 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.73 1uey s GLU 53 N -0.19 0.74 0.08 2.79 2.02 -0.69 -0.28 118.70 123.17 1uey s GLU 53 Ca 0.03 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1uey s GLU 53 Cb -0.06 -0.69 -0.03 0.00 0.10 0.00 0.00 34.13 33.45 1uey s GLU 53 CO -0.00 0.15 -0.08 1.52 0.02 0.00 0.00 175.26 176.87 1uey s TYR 54 N -1.21 0.85 0.02 1.61 -0.85 -1.03 0.20 117.35 116.94 1uey s TYR 54 Ca -0.04 -0.72 0.04 0.00 -0.52 0.00 0.00 57.07 55.84 1uey s TYR 54 Cb -0.09 -0.49 -0.02 0.00 0.38 0.00 0.00 41.96 41.74 1uey s TYR 54 CO 0.02 -0.10 -0.13 -1.83 -1.52 0.00 0.00 175.55 171.98 1uey s GLU 55 N -2.86 0.94 -0.29 -3.49 4.04 -1.25 -0.07 118.70 115.72 1uey s GLU 55 Ca 0.03 -0.66 -0.17 0.00 0.04 0.00 0.00 54.97 54.21 1uey s GLU 55 Cb -0.02 -0.93 -0.03 0.00 0.02 0.00 0.00 34.13 33.18 1uey s GLU 55 CO -0.02 0.24 0.46 0.34 -1.84 0.00 0.00 175.26 174.43 1uey s ASP 56 N -0.90 6.34 0.00 0.83 -1.08 -1.24 -1.72 116.67 118.90 1uey s ASP 56 Ca 0.02 0.30 0.24 0.00 -0.52 0.00 0.00 52.55 52.59 1uey s ASP 56 Cb -0.07 -2.25 0.39 0.00 -1.46 0.00 0.00 42.92 39.53 1uey s ASP 56 CO 0.01 -0.29 1.33 0.00 0.52 0.00 0.00 175.17 176.74 1uey n ALA 57 N 5.51 3.70 0.86 3.66 0.00 -1.07 -0.87 120.51 132.29 1uey n ALA 57 Ca -0.06 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.08 1uey n ALA 57 Cb 0.50 -1.05 0.15 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.32 0.10 0.00 0.00 0.00 -1.25 -4.61 117.12 110.03 1uey n MET 58 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 1uey n MET 58 Cb 0.34 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.02 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 -1.67 0.00 -3.94 1.12 8.25 -1.24 -5.02 115.22 112.72 1uey n HIS 59 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1uey n HIS 59 Cb 0.37 0.04 -0.14 0.00 1.12 0.00 0.00 29.99 31.38 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uey s LYS 60 N -0.15 1.87 0.25 -0.41 1.02 -0.90 -5.08 119.74 116.34 1uey s LYS 60 Ca 0.00 -2.29 -0.30 0.00 0.02 0.00 0.00 55.97 53.40 1uey s LYS 60 Cb 0.00 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1uey s LYS 60 CO 0.00 -1.05 1.09 -1.25 -0.92 0.00 0.00 175.35 173.21 1uey s PRO 61 N 0.26 4.64 0.00 -1.68 0.04 -0.05 -2.95 135.00 135.27 1uey s PRO 61 Ca 0.14 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1uey s PRO 61 Cb -0.23 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1uey s PRO 61 CO -0.04 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1uey n GLY 62 N 1.43 1.12 3.42 0.56 0.00 -1.26 -5.00 105.19 105.45 1uey n GLY 62 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 5.08 -0.05 0.99 2.96 -1.15 -5.03 118.68 121.48 1uey s LEU 63 Ca 0.00 -1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 52.68 1uey s LEU 63 Cb 0.00 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1uey s LEU 63 CO 0.00 -1.02 0.32 0.26 -1.32 0.00 0.00 176.35 174.59 1uey s TRP 64 N 2.77 3.67 0.49 5.38 0.52 -1.26 -3.71 118.94 126.80 1uey s TRP 64 Ca 0.14 0.82 0.02 0.00 0.02 0.00 0.00 56.10 57.10 1uey s TRP 64 Cb -0.21 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1uey s TRP 64 CO 0.10 0.64 0.02 -1.01 0.02 0.00 0.00 176.95 176.72 1uey s HIS 65 N -0.93 1.87 -0.14 -1.98 3.76 0.90 -4.88 115.29 113.89 1uey s HIS 65 Ca 0.21 -1.00 -0.24 0.00 -0.15 0.00 0.00 55.06 53.87 1uey s HIS 65 Cb -0.15 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1uey s HIS 65 CO 0.10 0.15 0.76 -1.58 -0.85 0.00 0.00 174.74 173.31 1uey s HIS 66 N -2.93 3.46 0.00 1.40 2.46 -1.26 -2.47 115.29 115.95 1uey s HIS 66 Ca 0.10 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.83 1uey s HIS 66 Cb 0.02 -2.91 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 1uey s HIS 66 CO 0.05 -0.13 0.00 0.94 -2.47 0.00 0.00 174.74 173.14 1uey n GLN 67 N 4.74 0.00 -3.50 2.88 -0.06 0.62 -4.92 117.38 117.13 1uey n GLN 67 Ca 0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.89 1uey n GLN 67 Cb 0.50 -0.25 -0.04 0.00 -4.06 0.00 0.00 30.24 26.39 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 -0.57 0.00 0.07 1.69 -1.32 -1.16 -4.98 115.64 109.37 1uey s THR 68 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1uey s THR 68 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1uey s THR 68 CO 0.00 0.00 -0.11 -1.83 -2.21 0.00 0.00 174.62 170.47 1uey s GLU 69 N -2.35 0.75 0.24 7.08 -1.05 -1.26 0.22 118.70 122.33 1uey s GLU 69 Ca -0.02 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 1uey s GLU 69 Cb -0.01 -0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 33.10 1uey s GLU 69 CO -0.03 0.11 0.09 1.33 0.95 0.00 0.00 175.26 177.72 1uey n VAL 70 N 1.07 0.00 -0.46 1.83 0.24 -0.25 -4.92 118.33 115.84 1uey n VAL 70 Ca -0.20 -1.41 -0.31 0.00 -2.04 0.00 0.00 64.34 60.39 1uey n VAL 70 Cb 0.56 0.52 0.28 0.00 -1.47 0.00 0.00 33.84 33.73 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 -2.47 -0.91 0.00 -1.34 0.15 -1.26 -0.54 113.70 107.32 1uey s SER 71 Ca 0.13 0.79 0.17 0.00 0.70 0.00 0.00 55.95 57.75 1uey s SER 71 Cb 0.01 -1.11 0.54 0.00 -1.71 0.00 0.00 66.02 63.75 1uey s SER 71 CO 0.09 -5.26 1.42 0.61 1.20 0.00 0.00 173.24 171.30 1uey n GLY 72 N 1.08 0.69 0.05 9.45 0.00 0.70 -3.00 105.19 114.17 1uey n GLY 72 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 0.59 0.00 -2.54 2.61 -1.04 -1.26 -4.54 114.28 108.09 1uey n THR 73 Ca 0.15 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1uey n THR 73 Cb 0.36 1.03 -0.01 0.00 -1.82 0.00 0.00 70.33 69.89 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 -1.43 3.61 0.00 -2.82 -1.52 -1.23 -4.99 119.66 111.27 1uey s GLN 74 Ca 0.03 0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.81 1uey s GLN 74 Cb 0.05 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.52 1uey s GLN 74 CO 0.23 -0.24 0.56 0.25 -0.25 0.00 0.00 175.29 175.85 1uey n THR 75 N -2.14 0.00 -3.69 -0.19 -2.24 -1.26 -4.94 114.28 99.82 1uey n THR 75 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1uey n THR 75 Cb 0.55 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.02 -0.03 4.28 -4.23 -1.26 -2.01 115.64 112.38 1uey s THR 76 Ca 0.00 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1uey s THR 76 Cb 0.00 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.16 1uey s THR 76 CO 0.00 0.02 0.13 0.00 -0.54 0.00 0.00 174.62 174.24 1uey s ALA 77 N 1.16 -0.32 0.18 3.99 0.00 -1.11 -4.93 121.76 120.73 1uey s ALA 77 Ca -0.07 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1uey s ALA 77 Cb -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1uey s ALA 77 CO -0.11 -0.13 1.17 -0.65 0.00 0.00 0.00 175.76 176.04 1uey s GLN 78 N -0.55 4.52 -0.18 0.00 -0.21 -1.26 -0.98 119.66 121.00 1uey s GLN 78 Ca -0.06 1.82 -0.02 0.00 0.02 0.00 0.00 55.36 57.12 1uey s GLN 78 Cb -0.04 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 1uey s GLN 78 CO 0.01 -0.04 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.53 1uey s LEU 79 N -0.25 2.73 -0.52 2.90 1.43 0.18 -4.94 118.68 120.21 1uey s LEU 79 Ca 0.52 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1uey s LEU 79 Cb -0.32 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1uey s LEU 79 CO 0.36 0.06 1.15 0.21 0.23 0.00 0.00 176.35 178.36 1uey s ASN 80 N 1.00 6.56 0.06 2.29 3.84 -1.26 -3.06 114.94 124.37 1uey s ASN 80 Ca -0.01 0.32 0.03 0.00 0.21 0.00 0.00 52.86 53.41 1uey s ASN 80 Cb -0.15 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 1uey s ASN 80 CO -0.01 -1.34 0.03 -0.76 -2.79 0.00 0.00 177.10 172.23 1uey s LEU 81 N 4.63 3.60 0.54 3.21 1.43 -1.26 -5.09 118.68 125.74 1uey s LEU 81 Ca 0.46 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1uey s LEU 81 Cb -0.07 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1uey s LEU 81 CO 0.29 0.21 0.33 -0.55 0.23 0.00 0.00 176.35 176.86 1uey s SER 82 N -2.12 4.53 0.00 2.29 0.15 -1.26 -5.08 113.70 112.21 1uey s SER 82 Ca 0.25 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1uey s SER 82 Cb -0.12 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1uey s SER 82 CO 0.17 -1.08 0.04 -0.81 1.20 0.00 0.00 173.24 172.76 1uey n PRO 83 N -1.69 0.00 -2.43 5.44 -0.04 -1.26 -4.36 135.00 130.66 1uey n PRO 83 Ca -0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1uey n PRO 83 Cb 0.65 -0.30 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1uey n PRO 83 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1uey s TYR 84 N -0.09 2.37 -0.29 0.54 2.02 -1.26 -4.48 117.35 116.16 1uey s TYR 84 Ca 0.00 -0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 55.92 1uey s TYR 84 Cb 0.00 -4.54 0.18 0.00 -0.40 0.00 0.00 41.96 37.20 1uey s TYR 84 CO 0.00 -1.87 1.35 0.54 -1.57 0.00 0.00 175.55 174.00 1uey s VAL 85 N 6.22 0.00 0.08 0.71 0.11 -1.26 -5.17 120.40 121.08 1uey s VAL 85 Ca 0.53 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.66 1uey s VAL 85 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1uey s VAL 85 CO -0.06 0.00 -0.22 0.21 -3.33 0.00 0.00 175.10 171.70 1uey s ASN 86 N 0.10 2.66 0.00 3.54 2.47 -1.26 -4.66 114.94 117.79 1uey s ASN 86 Ca 0.06 -0.62 0.00 0.00 0.42 0.00 0.00 52.86 52.72 1uey s ASN 86 Cb -0.05 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.56 1uey s ASN 86 CO -0.14 0.13 0.00 0.00 -3.72 0.00 0.00 177.10 173.37 1uey n TYR 87 N 1.44 0.00 -4.47 0.43 0.18 -1.25 -2.59 117.16 110.89 1uey n TYR 87 Ca -0.18 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.38 1uey n TYR 87 Cb 0.53 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.44 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 0.24 2.01 -3.91 9.48 3.41 -0.70 -3.89 113.62 120.26 1uey n SER 88 Ca 0.00 -2.68 -0.26 0.00 -0.26 0.00 0.00 58.87 55.67 1uey n SER 88 Cb 0.00 0.56 -0.17 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.58 1.34 0.25 7.33 0.08 -1.26 -3.80 117.98 119.34 1uey s PHE 89 Ca 0.09 -0.61 0.10 0.00 0.12 0.00 0.00 56.93 56.62 1uey s PHE 89 Cb 0.00 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1uey s PHE 89 CO 0.06 -0.44 -0.03 0.50 -0.10 0.00 0.00 175.22 175.21 1uey s ARG 90 N 1.53 2.22 -0.02 0.44 3.52 0.52 -2.72 118.95 124.44 1uey s ARG 90 Ca 0.01 -1.40 0.01 0.00 -0.13 0.00 0.00 55.73 54.22 1uey s ARG 90 Cb -0.13 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1uey s ARG 90 CO -0.06 0.38 -0.02 0.08 -0.81 0.00 0.00 175.30 174.87 1uey s VAL 91 N -2.21 0.27 0.16 7.11 1.01 -1.26 -1.71 120.40 123.77 1uey s VAL 91 Ca 0.30 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1uey s VAL 91 Cb -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1uey s VAL 91 CO 0.19 0.12 -0.18 -0.04 0.00 0.00 0.00 175.10 175.18 1uey s MET 92 N 0.40 1.25 -0.06 2.72 -1.94 0.53 -1.13 119.30 121.07 1uey s MET 92 Ca -0.04 -1.38 0.05 0.00 -1.71 0.00 0.00 55.69 52.60 1uey s MET 92 Cb -0.07 -1.32 -0.00 0.00 2.01 0.00 0.00 34.83 35.45 1uey s MET 92 CO -0.01 0.27 -0.21 0.00 -0.01 0.00 0.00 175.02 175.06 1uey s ALA 93 N -1.99 1.86 -0.08 3.03 0.00 -1.26 -1.26 121.76 122.05 1uey s ALA 93 Ca 0.15 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1uey s ALA 93 Cb -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1uey s ALA 93 CO 0.06 0.31 -0.18 0.08 0.00 0.00 0.00 175.76 176.04 1uey s VAL 94 N 0.10 1.56 0.00 0.00 1.01 -0.46 -0.68 120.40 121.94 1uey s VAL 94 Ca -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1uey s VAL 94 Cb -0.14 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1uey s VAL 94 CO 0.04 0.45 0.00 -0.46 0.00 0.00 0.00 175.10 175.13 1uey n ASN 95 N 3.69 0.80 -0.34 3.32 0.23 -0.59 -0.82 115.26 121.55 1uey n ASN 95 Ca -0.21 -0.80 0.18 0.00 -0.53 0.00 0.00 54.58 53.22 1uey n ASN 95 Cb 0.52 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.62 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 0.65 0.00 0.53 0.02 -1.89 -3.08 113.55 109.78 1uey h SER 96 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1uey h SER 96 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1uey h SER 96 CO 0.00 0.08 0.00 -0.38 -1.14 0.00 0.00 176.83 175.39 1uey n ILE 97 N -4.91 0.00 -1.62 3.27 2.08 -1.26 -5.07 119.36 111.85 1uey n ILE 97 Ca 0.27 0.53 0.00 0.00 0.56 0.00 0.00 62.75 64.12 1uey n ILE 97 Cb 0.77 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 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 0.61 2.78 3.56 7.39 0.00 -1.17 -5.02 105.19 113.34 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 1.56 3.82 1.00 1.61 2.20 -1.26 -1.54 119.74 127.13 1uey s LYS 99 Ca 0.00 -0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 1uey s LYS 99 Cb 0.00 -3.65 0.19 0.00 -1.51 0.00 0.00 37.83 32.86 1uey s LYS 99 CO 0.00 -0.24 1.08 -1.54 -0.36 0.00 0.00 175.35 174.30 1uey s SER 100 N 1.73 2.58 1.00 1.43 1.04 0.15 -4.97 113.70 116.66 1uey s SER 100 Ca 0.07 1.33 -0.13 0.00 0.48 0.00 0.00 55.95 57.70 1uey s SER 100 Cb -0.16 -2.01 0.10 0.00 0.10 0.00 0.00 66.02 64.04 1uey s SER 100 CO 0.10 -3.18 0.52 0.18 0.98 0.00 0.00 173.24 171.84 1uey n LEU 101 N -4.22 -0.14 -4.78 2.42 4.77 -1.26 -4.52 117.00 109.27 1uey n LEU 101 Ca 0.05 0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 1uey n LEU 101 Cb 0.56 -1.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 1uey n LEU 101 CO 0.57 -3.22 0.74 -2.16 -1.33 0.00 0.00 177.39 172.00 1uey s PRO 102 N -3.85 4.22 0.70 3.23 0.04 -1.26 -4.66 135.00 133.41 1uey s PRO 102 Ca 0.60 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1uey s PRO 102 Cb -0.20 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1uey s PRO 102 CO 0.65 -0.10 0.91 -1.13 0.04 0.00 0.00 177.00 177.37 1uey n SER 103 N 0.09 0.32 0.00 6.66 3.41 -0.28 -4.91 113.62 118.92 1uey n SER 103 Ca 0.04 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1uey n SER 103 Cb 0.49 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1uey n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uey n GLU 104 N -1.55 0.00 0.00 4.33 1.02 -1.26 -4.70 120.64 118.48 1uey n GLU 104 Ca 0.13 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1uey n GLU 104 Cb 0.49 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uey n ALA 105 N -0.99 0.00 -0.91 0.62 0.00 -1.26 -5.03 120.51 112.94 1uey n ALA 105 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1uey n ALA 105 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1uey n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey s SER 106 N 0.00 2.00 0.95 0.00 0.15 -1.10 -4.96 113.70 110.74 1uey s SER 106 Ca 0.00 1.36 -0.12 0.00 0.70 0.00 0.00 55.95 57.89 1uey s SER 106 Cb 0.00 -2.07 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1uey s SER 106 CO 0.00 -3.54 0.51 -1.84 1.20 0.00 0.00 173.24 169.57 1uey n GLU 107 N -4.47 -0.35 -2.68 5.44 0.28 -1.26 -4.51 120.64 113.09 1uey n GLU 107 Ca 0.05 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.57 1uey n GLU 107 Cb 0.56 -1.93 -0.03 0.00 1.43 0.00 0.00 31.44 31.46 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1uey s GLN 108 N -3.79 3.32 -0.14 3.44 -0.21 -1.26 -4.54 119.66 116.48 1uey s GLN 108 Ca 0.58 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 1uey s GLN 108 Cb -0.21 -4.58 -0.01 0.00 1.00 0.00 0.00 33.01 29.21 1uey s GLN 108 CO 0.66 -2.03 1.08 -0.47 -2.12 0.00 0.00 175.29 172.41 1uey s TYR 109 N 4.74 3.33 -0.08 0.91 6.14 -1.25 -5.01 117.35 126.14 1uey s TYR 109 Ca 0.34 1.42 0.01 0.00 0.64 0.00 0.00 57.07 59.49 1uey s TYR 109 Cb -0.08 -3.29 0.02 0.00 0.42 0.00 0.00 41.96 39.03 1uey s TYR 109 CO 0.05 -0.66 -0.10 -1.17 0.64 0.00 0.00 175.55 174.30 1uey s LEU 110 N 2.59 1.50 0.92 6.97 1.98 -1.26 -4.48 118.68 126.90 1uey s LEU 110 Ca 0.49 -0.29 -0.14 0.00 -2.89 0.00 0.00 54.13 51.31 1uey s LEU 110 Cb -0.19 -0.80 0.18 0.00 0.66 0.00 0.00 46.19 46.04 1uey s LEU 110 CO 0.14 -0.01 1.27 0.42 -1.89 0.00 0.00 176.35 176.28 1uey s THR 111 N 0.96 2.02 -0.16 3.68 -4.23 -1.26 -4.49 115.64 112.16 1uey s THR 111 Ca -0.09 -0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1uey s THR 111 Cb -0.15 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1uey s THR 111 CO 0.00 0.00 -0.05 -0.54 -0.54 0.00 0.00 174.62 173.50 1uey s LYS 112 N -5.76 3.60 -0.84 3.99 3.01 -1.26 -4.36 119.74 118.12 1uey s LYS 112 Ca 0.72 -0.55 0.01 0.00 -1.01 0.00 0.00 55.97 55.14 1uey s LYS 112 Cb -0.04 -2.90 0.34 0.00 -1.01 0.00 0.00 37.83 34.21 1uey s LYS 112 CO 0.51 0.17 1.55 0.00 0.51 0.00 0.00 175.35 178.09 1uey n ALA 113 N 3.73 5.66 -3.77 5.17 0.00 -1.26 -4.84 120.51 125.20 1uey n ALA 113 Ca -0.17 -4.56 -0.33 0.00 0.00 0.00 0.00 53.44 48.37 1uey n ALA 113 Cb 0.52 -1.63 0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 -4.60 0.00 0.00 2.88 -1.26 -4.96 113.62 105.48 1uey n SER 114 Ca 0.43 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 1uey n SER 114 Cb 0.32 -3.11 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 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 -4.33 0.00 -1.55 -1.46 2.13 -1.26 -5.17 120.64 108.99 1uey n GLU 115 Ca -0.12 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.40 1uey n GLU 115 Cb 0.60 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.41 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 -0.22 1.86 0.00 5.31 0.04 -1.26 -4.90 135.00 135.84 1uey s PRO 116 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1uey s PRO 116 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1uey s PRO 116 CO 0.00 -1.76 0.00 -3.47 0.04 0.00 0.00 177.00 171.81 1uey n ASP 117 N -3.51 0.00 -0.10 6.66 -0.08 -1.26 -4.98 116.55 113.29 1uey n ASP 117 Ca 0.07 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.14 1uey n ASP 117 Cb 0.57 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.91 1uey n ASP 117 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1uey h LYS 118 N 0.00 0.01 -0.76 -0.67 3.64 -1.95 -3.37 116.57 113.46 1uey h LYS 118 Ca 0.00 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 1uey h LYS 118 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.69 1uey h LYS 118 CO 0.00 1.01 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.98 1uey h ASN 119 N -0.97 -1.08 -2.59 4.20 4.21 -1.95 -3.41 115.58 113.99 1uey h ASN 119 Ca -0.30 0.25 -0.19 0.00 1.21 0.00 0.00 56.30 57.28 1uey h ASN 119 Cb 1.28 0.59 0.08 0.00 -1.12 0.00 0.00 38.32 39.15 1uey h ASN 119 CO -0.17 -0.29 0.12 -0.81 -1.29 0.00 0.00 177.43 174.99 1uey n PRO 120 N -5.48 -1.26 -3.52 0.81 -0.04 -1.26 -4.41 135.00 119.84 1uey n PRO 120 Ca 0.08 -0.86 -0.30 0.00 -0.04 0.00 0.00 63.50 62.39 1uey n PRO 120 Cb 0.38 -0.67 0.02 0.00 -0.04 0.00 0.00 33.50 33.19 1uey n PRO 120 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1uey n THR 121 N -3.19 -4.70 -3.06 0.52 -1.04 -1.26 -4.82 114.28 96.72 1uey n THR 121 Ca 0.07 0.11 -0.45 0.00 -2.04 0.00 0.00 64.05 61.74 1uey n THR 121 Cb 0.26 -3.86 -0.03 0.00 -1.82 0.00 0.00 70.33 64.88 1uey n THR 121 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1uey s SER 122 N -2.15 6.48 0.00 8.00 1.04 -1.26 -4.98 113.70 120.83 1uey s SER 122 Ca 0.23 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1uey s SER 122 Cb -0.03 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1uey s SER 122 CO 0.87 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1uey n GLY 123 N 5.09 4.58 3.79 7.32 0.00 -1.26 -5.10 105.19 119.61 1uey n GLY 123 Ca 0.09 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1uey n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 124 N 2.36 1.44 -0.27 1.61 0.04 -1.26 -5.09 135.00 133.82 1uey s PRO 124 Ca 0.00 0.40 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 1uey s PRO 124 Cb 0.00 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1uey s PRO 124 CO 0.00 -2.02 0.70 0.45 0.04 0.00 0.00 177.00 176.17 1uey s SER 125 N -3.99 -0.81 0.06 6.66 0.15 -1.26 -5.15 113.70 109.35 1uey s SER 125 Ca 0.63 1.45 -0.21 0.00 0.70 0.00 0.00 55.95 58.52 1uey s SER 125 Cb -0.15 1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 65.52 1uey s SER 125 CO 0.54 -0.24 0.62 -0.44 1.20 0.00 0.00 173.24 174.91 1uey s SER 126 N 0.84 7.09 0.00 5.45 0.01 -1.26 -5.35 113.70 120.48 1uey s SER 126 Ca -0.04 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1uey s SER 126 Cb -0.05 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1uey s SER 126 CO -0.07 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.38