#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey n SER 2 N 0.00 -1.43 -1.39 1.61 2.88 -1.26 -5.17 113.62 108.87 1uey n SER 2 Ca 0.00 0.53 0.16 0.00 -1.33 0.00 0.00 58.87 58.24 1uey n SER 2 Cb 0.00 1.59 -0.09 0.00 -0.75 0.00 0.00 64.21 64.97 1uey n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uey n SER 3 N -2.98 -7.23 0.00 -3.46 3.41 -1.26 -5.08 113.62 97.02 1uey n SER 3 Ca 0.00 1.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1uey n SER 3 Cb 0.00 -4.75 0.00 0.00 -0.26 0.00 0.00 64.21 59.20 1uey n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uey n GLY 4 N -4.27 1.72 3.62 5.00 0.00 -1.26 -5.13 105.19 104.88 1uey n GLY 4 Ca -0.09 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1uey n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uey s SER 5 N 0.00 2.27 0.00 1.61 0.01 -1.26 -5.00 113.70 111.33 1uey s SER 5 Ca 0.00 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1uey s SER 5 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1uey s SER 5 CO 0.00 -3.38 0.00 -0.24 0.41 0.00 0.00 173.24 170.03 1uey n SER 6 N -4.37 0.00 0.00 2.44 2.88 -1.26 -5.13 113.62 108.18 1uey n SER 6 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1uey n SER 6 Cb 0.55 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 1.43 2.48 3.73 0.46 0.00 -1.26 -4.67 105.19 107.36 1uey n GLY 7 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 4.54 -0.37 1.61 0.04 -1.26 -4.97 135.00 134.59 1uey s PRO 8 Ca 0.00 1.74 0.12 0.00 0.04 0.00 0.00 61.00 62.90 1uey s PRO 8 Cb 0.00 -3.29 0.36 0.00 0.04 0.00 0.00 34.50 31.61 1uey s PRO 8 CO 0.00 -0.03 0.82 -2.37 0.04 0.00 0.00 177.00 175.46 1uey n THR 9 N 2.80 0.03 0.02 1.26 5.66 -1.26 -4.98 114.28 117.81 1uey n THR 9 Ca 0.04 -3.93 -0.01 0.00 -3.05 0.00 0.00 64.05 57.10 1uey n THR 9 Cb 0.46 0.11 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 1uey n THR 9 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1uey h PRO 10 N 2.98 -0.08 -6.22 1.09 0.13 -1.99 -3.45 132.00 124.45 1uey h PRO 10 Ca 0.04 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.50 1uey h PRO 10 Cb 1.02 0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.25 1uey h PRO 10 CO 0.44 -0.05 0.08 0.00 -0.23 0.00 0.00 178.00 178.24 1uey n ALA 11 N -2.18 -1.65 -1.00 -0.56 0.00 -1.26 -4.95 120.51 108.91 1uey n ALA 11 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1uey n ALA 11 Cb 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 1.51 -0.21 -3.76 0.00 -0.04 -1.26 -5.10 135.00 126.14 1uey n PRO 12 Ca 0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1uey n PRO 12 Cb 0.22 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.56 1uey n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uey s VAL 13 N -0.81 -0.02 0.24 0.52 1.01 -1.26 -5.17 120.40 114.91 1uey s VAL 13 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1uey s VAL 13 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1uey s VAL 13 CO 0.00 0.02 0.06 -1.22 0.00 0.00 0.00 175.10 173.96 1uey n TYR 14 N 3.49 0.03 0.00 5.22 4.01 -1.26 -4.32 117.16 124.33 1uey n TYR 14 Ca -0.18 -1.11 0.00 0.00 -0.16 0.00 0.00 57.90 56.45 1uey n TYR 14 Cb 0.56 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1uey n ASP 15 N -1.38 0.00 -0.97 7.72 8.00 -1.26 -5.06 116.55 123.60 1uey n ASP 15 Ca -0.07 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.52 1uey n ASP 15 Cb 0.29 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.36 -2.40 2.53 0.24 -1.26 -4.56 118.33 112.51 1uey n VAL 16 Ca 0.00 0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 62.29 1uey n VAL 16 Cb 0.00 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 31.69 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 4.13 1.00 7.34 0.04 -1.26 -4.56 135.00 137.37 1uey s PRO 17 Ca 0.00 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1uey s PRO 17 Cb 0.00 -3.81 -0.13 0.00 0.04 0.00 0.00 34.50 30.60 1uey s PRO 17 CO 0.00 -0.85 -0.87 0.09 0.04 0.00 0.00 177.00 175.42 1uey n ASN 18 N 6.97 -4.29 -4.79 6.66 5.03 -0.95 -4.42 115.26 119.47 1uey n ASN 18 Ca 0.14 0.11 -0.36 0.00 0.87 0.00 0.00 54.58 55.35 1uey n ASN 18 Cb 0.45 -0.74 -0.04 0.00 -1.02 0.00 0.00 39.78 38.44 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 -2.30 4.02 0.88 3.52 0.04 -1.26 -4.49 135.00 135.41 1uey s PRO 19 Ca 0.42 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1uey s PRO 19 Cb -0.08 -2.37 0.12 0.00 0.04 0.00 0.00 34.50 32.21 1uey s PRO 19 CO 0.74 -0.26 1.13 -1.25 0.04 0.00 0.00 177.00 177.40 1uey s PRO 20 N -2.78 1.40 0.35 0.56 0.04 -1.26 -4.13 135.00 129.18 1uey s PRO 20 Ca 0.61 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 1uey s PRO 20 Cb -0.20 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1uey s PRO 20 CO 0.25 -2.04 0.55 -0.59 0.04 0.00 0.00 177.00 175.21 1uey s PHE 21 N -3.25 0.79 -1.51 0.56 -0.12 -0.42 -4.33 117.98 109.70 1uey s PHE 21 Ca 0.63 -1.13 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1uey s PHE 21 Cb -0.15 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1uey s PHE 21 CO 0.53 -1.23 0.04 -3.47 -0.05 0.00 0.00 175.22 171.05 1uey n ASP 22 N -1.33 -5.22 -4.73 1.98 -0.08 -1.26 -2.24 116.55 103.67 1uey n ASP 22 Ca -0.01 -0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.81 1uey n ASP 22 Cb 0.61 -4.28 -0.02 0.00 2.34 0.00 0.00 41.12 39.77 1uey n ASP 22 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1uey s LEU 23 N -5.18 4.36 -0.08 -2.67 1.02 -1.26 -4.74 118.68 110.13 1uey s LEU 23 Ca 0.02 2.90 -0.28 0.00 0.02 0.00 0.00 54.13 56.79 1uey s LEU 23 Cb -0.01 -3.61 0.07 0.00 0.02 0.00 0.00 46.19 42.65 1uey s LEU 23 CO 0.03 -0.95 0.65 -1.61 0.02 0.00 0.00 176.35 174.48 1uey s GLU 24 N 0.54 0.98 -0.14 1.70 2.02 -0.92 -4.49 118.70 118.40 1uey s GLU 24 Ca 0.70 0.32 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 1uey s GLU 24 Cb -0.49 0.46 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 1uey s GLU 24 CO 0.38 -0.28 0.08 -0.51 0.02 0.00 0.00 175.26 174.95 1uey s LEU 25 N -0.97 3.97 -0.22 1.80 2.01 -1.26 -1.01 118.68 123.00 1uey s LEU 25 Ca -0.10 0.23 -0.04 0.00 0.01 0.00 0.00 54.13 54.23 1uey s LEU 25 Cb -0.01 -1.97 0.11 0.00 0.01 0.00 0.00 46.19 44.33 1uey s LEU 25 CO 0.08 0.30 0.37 0.42 1.01 0.00 0.00 176.35 178.53 1uey s THR 26 N -0.37 -0.58 0.22 5.49 -4.23 -0.52 -5.00 115.64 110.64 1uey s THR 26 Ca 0.10 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.55 1uey s THR 26 Cb -0.12 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.97 1uey s THR 26 CO 0.02 -0.05 0.33 1.51 -0.54 0.00 0.00 174.62 175.88 1uey s ASP 27 N 2.54 0.01 0.00 3.99 -4.77 -1.26 -3.78 116.67 113.40 1uey s ASP 27 Ca 0.07 -1.08 0.00 0.00 -3.30 0.00 0.00 52.55 48.24 1uey s ASP 27 Cb -0.14 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 1uey s ASP 27 CO -0.14 -1.00 0.00 0.00 0.70 0.00 0.00 175.17 174.73 1uey n GLN 28 N -0.32 0.00 -2.73 2.11 10.64 -1.26 -5.02 117.38 120.80 1uey n GLN 28 Ca -0.01 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.74 1uey n GLN 28 Cb 0.63 -0.93 -0.03 0.00 -0.86 0.00 0.00 30.24 29.05 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1uey s LEU 29 N -4.94 4.39 -1.22 2.61 2.96 -1.26 -4.96 118.68 116.26 1uey s LEU 29 Ca 0.00 1.66 -0.16 0.00 -0.22 0.00 0.00 54.13 55.40 1uey s LEU 29 Cb 0.00 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.27 1uey s LEU 29 CO 0.00 -0.22 1.53 -1.81 -1.32 0.00 0.00 176.35 174.53 1uey s ASP 30 N 0.84 6.93 0.00 3.68 1.01 -1.26 -3.55 116.67 124.32 1uey s ASP 30 Ca 0.50 -2.65 0.00 0.00 0.71 0.00 0.00 52.55 51.11 1uey s ASP 30 Cb -0.21 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1uey s ASP 30 CO 0.28 -0.97 0.00 1.17 0.21 0.00 0.00 175.17 175.86 1uey n LYS 31 N 6.91 0.00 -3.66 8.23 0.00 -1.26 -5.09 118.16 123.29 1uey n LYS 31 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.44 1uey n LYS 31 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.32 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 -0.99 3.00 0.54 3.14 0.01 -1.23 -4.56 113.70 113.61 1uey s SER 32 Ca 0.00 -0.95 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1uey s SER 32 Cb 0.00 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 1uey s SER 32 CO 0.00 -0.36 0.89 0.54 0.41 0.00 0.00 173.24 174.72 1uey s VAL 33 N 1.96 4.83 -0.08 3.43 0.11 -1.16 -4.70 120.40 124.78 1uey s VAL 33 Ca 0.03 0.49 0.03 0.00 -2.93 0.00 0.00 61.98 59.60 1uey s VAL 33 Cb -0.17 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.80 1uey s VAL 33 CO -0.16 -0.97 -0.17 -1.58 -3.33 0.00 0.00 175.10 168.89 1uey s GLN 34 N -4.91 2.87 -0.33 1.54 0.74 -1.25 -0.10 119.66 118.23 1uey s GLN 34 Ca 0.51 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 55.09 1uey s GLN 34 Cb -0.11 -2.41 0.02 0.00 1.10 0.00 0.00 33.01 31.61 1uey s GLN 34 CO 0.48 0.39 0.12 -1.17 -0.55 0.00 0.00 175.29 174.56 1uey s LEU 35 N -0.14 4.20 -0.32 3.68 2.96 -0.10 -1.44 118.68 127.51 1uey s LEU 35 Ca -0.02 -0.90 -0.14 0.00 -0.22 0.00 0.00 54.13 52.84 1uey s LEU 35 Cb -0.14 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1uey s LEU 35 CO 0.04 -0.28 0.33 -0.44 -1.32 0.00 0.00 176.35 174.68 1uey s SER 36 N 1.48 6.15 0.31 3.68 0.01 -0.18 -2.94 113.70 122.21 1uey s SER 36 Ca 0.01 -0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.21 1uey s SER 36 Cb -0.18 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 1uey s SER 36 CO 0.04 -0.27 -0.05 -1.66 0.41 0.00 0.00 173.24 171.71 1uey s TRP 37 N 1.95 2.50 -0.26 2.43 -2.14 -0.65 -2.16 118.94 120.63 1uey s TRP 37 Ca 0.11 -0.38 0.01 0.00 2.66 0.00 0.00 56.10 58.49 1uey s TRP 37 Cb -0.16 -1.32 0.07 0.00 -3.10 0.00 0.00 33.47 28.96 1uey s TRP 37 CO 0.11 0.57 -0.01 0.99 -2.66 0.00 0.00 176.95 175.95 1uey s THR 38 N -2.49 1.48 -0.50 0.66 2.01 -0.95 -4.80 115.64 111.04 1uey s THR 38 Ca 0.33 -1.36 -0.28 0.00 0.31 0.00 0.00 61.69 60.69 1uey s THR 38 Cb -0.02 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1uey s THR 38 CO 0.18 -0.25 1.46 -2.16 -0.69 0.00 0.00 174.62 173.16 1uey s PRO 39 N 1.39 3.36 0.00 4.92 0.04 -1.26 -1.30 135.00 142.15 1uey s PRO 39 Ca -0.01 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1uey s PRO 39 Cb -0.19 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1uey s PRO 39 CO -0.09 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1uey n GLY 40 N 5.23 -3.32 3.61 0.56 0.00 -1.26 -4.90 105.19 105.12 1uey n GLY 40 Ca 0.15 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.06 -0.00 1.61 9.92 -1.26 -4.84 116.55 121.91 1uey n ASP 41 Ca 0.00 0.45 0.06 0.00 -0.53 0.00 0.00 54.79 54.77 1uey n ASP 41 Cb 0.00 -1.42 -0.08 0.00 -0.64 0.00 0.00 41.12 38.98 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1uey n ASP 42 N -3.22 1.62 -3.08 -2.24 8.00 -1.26 -2.23 116.55 114.13 1uey n ASP 42 Ca 0.11 -0.30 -0.02 0.00 0.71 0.00 0.00 54.79 55.29 1uey n ASP 42 Cb 0.52 1.33 0.01 0.00 -0.02 0.00 0.00 41.12 42.95 1uey n ASP 42 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uey n ASN 43 N -1.66 -7.67 0.00 -2.24 5.03 -1.26 -3.21 115.26 104.25 1uey n ASN 43 Ca -0.00 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1uey n ASN 43 Cb 0.26 -5.30 0.00 0.00 -1.02 0.00 0.00 39.78 33.72 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -1.95 0.00 -4.64 6.41 3.02 -1.26 -4.23 115.26 112.62 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 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 6.57 0.61 6.41 0.15 -1.20 -4.99 113.70 121.25 1uey s SER 45 Ca 0.00 1.56 -0.15 0.00 0.70 0.00 0.00 55.95 58.07 1uey s SER 45 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1uey s SER 45 CO 0.00 -1.11 1.05 -2.16 1.20 0.00 0.00 173.24 172.22 1uey s PRO 46 N 4.30 3.28 0.42 5.44 0.04 -1.26 -4.54 135.00 142.68 1uey s PRO 46 Ca 0.65 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1uey s PRO 46 Cb -0.23 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1uey s PRO 46 CO 0.25 -0.83 1.16 0.42 0.04 0.00 0.00 177.00 178.04 1uey s ILE 47 N -2.62 3.18 0.00 0.56 -1.09 -1.26 -4.38 121.20 115.59 1uey s ILE 47 Ca 0.62 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1uey s ILE 47 Cb -0.15 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1uey s ILE 47 CO 0.41 0.04 0.00 0.35 -1.23 0.00 0.00 174.94 174.51 1uey n THR 48 N -0.16 0.00 -3.93 2.92 -2.24 -0.78 -4.59 114.28 105.50 1uey n THR 48 Ca 0.06 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1uey n THR 48 Cb 0.47 -0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.73 0.68 -0.22 -0.78 2.20 -0.91 0.23 119.74 119.20 1uey s LYS 49 Ca 0.00 -0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 54.70 1uey s LYS 49 Cb 0.00 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.66 1uey s LYS 49 CO 0.00 -0.18 0.06 -0.06 -0.36 0.00 0.00 175.35 174.80 1uey s PHE 50 N -3.22 1.07 0.31 4.03 0.08 -0.07 -1.54 117.98 118.65 1uey s PHE 50 Ca 0.00 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 55.93 1uey s PHE 50 Cb 0.02 -1.13 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 1uey s PHE 50 CO -0.07 -0.68 0.68 0.42 -0.10 0.00 0.00 175.22 175.47 1uey s ILE 51 N 1.84 4.80 0.15 0.64 1.09 -0.05 -0.19 121.20 129.48 1uey s ILE 51 Ca 0.02 0.68 0.08 0.00 -1.10 0.00 0.00 60.65 60.33 1uey s ILE 51 Cb -0.17 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1uey s ILE 51 CO -0.14 -0.24 -0.19 -0.63 -0.10 0.00 0.00 174.94 173.65 1uey s ILE 52 N -2.03 1.78 0.13 2.92 1.09 0.32 0.22 121.20 125.63 1uey s ILE 52 Ca 0.51 -1.82 -0.10 0.00 -1.10 0.00 0.00 60.65 58.14 1uey s ILE 52 Cb -0.11 -1.77 0.00 0.00 -1.06 0.00 0.00 42.46 39.53 1uey s ILE 52 CO 0.22 -0.26 0.27 -1.61 -0.10 0.00 0.00 174.94 173.47 1uey s GLU 53 N -2.58 1.03 0.09 2.79 2.02 -0.52 -1.72 118.70 119.82 1uey s GLU 53 Ca 0.13 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 1uey s GLU 53 Cb -0.07 0.38 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1uey s GLU 53 CO 0.06 -0.37 0.24 1.52 0.02 0.00 0.00 175.26 176.73 1uey s TYR 54 N -3.90 0.05 -0.05 1.61 1.13 -1.07 0.24 117.35 115.36 1uey s TYR 54 Ca 0.10 -0.44 0.03 0.00 -1.41 0.00 0.00 57.07 55.35 1uey s TYR 54 Cb 0.04 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 1uey s TYR 54 CO -0.06 -0.57 -0.14 -1.83 -2.51 0.00 0.00 175.55 170.44 1uey s GLU 55 N -3.74 1.62 -0.90 -3.49 -1.05 -1.24 -0.92 118.70 108.98 1uey s GLU 55 Ca 0.04 -0.48 -0.22 0.00 -0.15 0.00 0.00 54.97 54.16 1uey s GLU 55 Cb 0.04 -1.38 0.08 0.00 -0.44 0.00 0.00 34.13 32.42 1uey s GLU 55 CO -0.11 0.13 1.23 -0.51 0.95 0.00 0.00 175.26 176.95 1uey s ASP 56 N 0.32 6.46 0.41 0.83 1.11 -1.23 -2.66 116.67 121.92 1uey s ASP 56 Ca -0.08 -1.50 0.20 0.00 0.18 0.00 0.00 52.55 51.34 1uey s ASP 56 Cb -0.13 -2.48 0.86 0.00 1.07 0.00 0.00 42.92 42.25 1uey s ASP 56 CO 0.03 -1.36 1.83 0.00 1.18 0.00 0.00 175.17 176.84 1uey h ALA 57 N 9.41 1.14 0.00 5.23 0.00 -1.54 1.56 119.26 135.05 1uey h ALA 57 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1uey h ALA 57 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1uey h ALA 57 CO 1.25 0.39 -0.48 1.98 0.00 0.00 0.00 179.25 182.39 1uey h MET 58 N 0.00 0.00 0.00 0.00 1.85 -1.85 -3.38 114.93 111.56 1uey h MET 58 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1uey h MET 58 Cb 0.72 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.75 1uey h MET 58 CO 0.04 0.48 -0.06 0.72 -0.40 0.00 0.00 176.91 177.69 1uey n HIS 59 N -3.53 0.00 -3.64 1.39 -0.00 -0.89 -4.99 115.22 103.56 1uey n HIS 59 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 1uey n HIS 59 Cb 0.59 -0.03 -0.15 0.00 -0.00 0.00 0.00 29.99 30.39 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 -1.15 0.43 0.19 -0.41 1.02 0.53 -5.07 119.74 115.27 1uey s LYS 60 Ca -0.02 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1uey s LYS 60 Cb 0.00 -1.61 -0.08 0.00 -0.52 0.00 0.00 37.83 35.62 1uey s LYS 60 CO 0.03 -0.95 1.11 -1.25 -0.92 0.00 0.00 175.35 173.37 1uey s PRO 61 N 1.90 4.59 0.00 -1.68 0.04 -0.83 -3.06 135.00 135.95 1uey s PRO 61 Ca 0.08 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1uey s PRO 61 Cb -0.17 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1uey s PRO 61 CO -0.28 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1uey n GLY 62 N 1.94 3.26 3.58 0.56 0.00 -1.26 -4.99 105.19 108.29 1uey n GLY 62 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1uey n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uey s LEU 63 N 0.00 3.52 -0.07 0.99 1.43 -1.17 -5.00 118.68 118.38 1uey s LEU 63 Ca 0.00 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1uey s LEU 63 Cb 0.00 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1uey s LEU 63 CO 0.00 -1.42 0.35 0.26 0.23 0.00 0.00 176.35 175.77 1uey s TRP 64 N 4.81 3.62 0.10 0.29 0.52 -1.26 -3.73 118.94 123.29 1uey s TRP 64 Ca 0.43 0.83 0.08 0.00 0.02 0.00 0.00 56.10 57.46 1uey s TRP 64 Cb -0.08 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1uey s TRP 64 CO 0.27 0.50 -0.19 -1.01 0.02 0.00 0.00 176.95 176.54 1uey s HIS 65 N -0.50 1.67 0.09 -1.98 3.76 -0.10 -4.92 115.29 113.30 1uey s HIS 65 Ca 0.21 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.38 1uey s HIS 65 Cb -0.15 -0.91 -0.09 0.00 1.11 0.00 0.00 32.58 32.54 1uey s HIS 65 CO 0.09 0.19 1.65 -1.58 -0.85 0.00 0.00 174.74 174.25 1uey s HIS 66 N -1.30 2.50 0.00 1.40 2.46 -1.26 -2.61 115.29 116.47 1uey s HIS 66 Ca 0.06 0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.93 1uey s HIS 66 Cb -0.09 -3.98 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 1uey s HIS 66 CO 0.04 -3.88 0.00 0.94 -2.47 0.00 0.00 174.74 169.37 1uey n GLN 67 N 5.35 0.00 -3.58 2.88 -0.06 -0.70 -4.95 117.38 116.32 1uey n GLN 67 Ca 0.16 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 55.08 1uey n GLN 67 Cb 0.40 -0.20 -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 -0.48 0.00 0.22 1.69 -1.32 -1.21 -4.99 115.64 109.54 1uey s THR 68 Ca 0.00 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 1uey s THR 68 Cb 0.00 -1.35 -0.05 0.00 -1.51 0.00 0.00 72.50 69.59 1uey s THR 68 CO 0.00 0.00 -0.03 -1.83 -2.21 0.00 0.00 174.62 170.55 1uey s GLU 69 N -3.39 1.29 0.20 7.08 4.04 -1.26 0.12 118.70 126.78 1uey s GLU 69 Ca 0.06 -1.64 0.04 0.00 0.04 0.00 0.00 54.97 53.48 1uey s GLU 69 Cb -0.02 -0.64 -0.02 0.00 0.02 0.00 0.00 34.13 33.47 1uey s GLU 69 CO -0.06 -0.06 0.15 1.33 -1.84 0.00 0.00 175.26 174.79 1uey n VAL 70 N -0.38 0.00 -1.42 1.83 0.24 0.74 -4.94 118.33 114.40 1uey n VAL 70 Ca -0.06 -1.42 -0.29 0.00 -2.04 0.00 0.00 64.34 60.54 1uey n VAL 70 Cb 0.63 0.68 0.15 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 -2.37 3.18 -0.23 -1.34 0.15 -1.26 -0.89 113.70 110.95 1uey s SER 71 Ca 0.22 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.89 1uey s SER 71 Cb 0.01 -1.62 0.27 0.00 -1.71 0.00 0.00 66.02 62.98 1uey s SER 71 CO 0.15 -2.76 1.57 0.61 1.20 0.00 0.00 173.24 174.01 1uey n GLY 72 N -1.86 3.35 0.52 9.45 0.00 0.63 -3.79 105.19 113.50 1uey n GLY 72 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.06 0.00 -2.73 2.61 -1.04 -1.26 -4.50 114.28 107.30 1uey n THR 73 Ca 0.27 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.90 1uey n THR 73 Cb 0.90 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.92 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uey s GLN 74 N -1.60 4.63 -0.08 -2.82 -2.07 -1.25 -4.95 119.66 111.51 1uey s GLN 74 Ca 0.00 1.42 0.12 0.00 -1.82 0.00 0.00 55.36 55.08 1uey s GLN 74 Cb 0.00 -2.94 0.20 0.00 -1.09 0.00 0.00 33.01 29.19 1uey s GLN 74 CO 0.00 0.30 1.12 0.25 -1.32 0.00 0.00 175.29 175.64 1uey n THR 75 N 0.80 1.57 -3.81 3.63 -2.24 -1.26 -4.75 114.28 108.22 1uey n THR 75 Ca 0.01 -1.76 -0.16 0.00 -2.27 0.00 0.00 64.05 59.87 1uey n THR 75 Cb 0.49 0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 1uey n THR 75 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uey s THR 76 N -2.16 0.00 0.02 4.28 -4.23 -1.26 -1.63 115.64 110.67 1uey s THR 76 Ca 0.21 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1uey s THR 76 Cb 0.18 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.87 1uey s THR 76 CO 0.03 0.10 -0.03 0.00 -0.54 0.00 0.00 174.62 174.18 1uey s ALA 77 N 1.07 0.18 0.08 3.99 0.00 -1.15 -4.94 121.76 120.98 1uey s ALA 77 Ca -0.09 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 1uey s ALA 77 Cb -0.13 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 1uey s ALA 77 CO -0.03 -0.16 0.87 -0.65 0.00 0.00 0.00 175.76 175.79 1uey s GLN 78 N -1.58 4.60 -0.08 0.00 -0.21 -1.26 -0.93 119.66 120.20 1uey s GLN 78 Ca -0.14 1.27 0.02 0.00 0.02 0.00 0.00 55.36 56.52 1uey s GLN 78 Cb -0.09 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 1uey s GLN 78 CO -0.01 0.26 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.78 1uey s LEU 79 N -0.06 2.81 -0.45 2.90 1.43 0.86 -4.96 118.68 121.20 1uey s LEU 79 Ca 0.43 -0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 1uey s LEU 79 Cb -0.22 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1uey s LEU 79 CO 0.27 0.28 0.71 0.20 0.23 0.00 0.00 176.35 178.03 1uey s ASN 80 N -0.31 6.36 0.25 2.29 0.01 -1.26 -2.99 114.94 119.28 1uey s ASN 80 Ca 0.03 -0.26 0.07 0.00 -0.71 0.00 0.00 52.86 52.00 1uey s ASN 80 Cb -0.13 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1uey s ASN 80 CO 0.03 -0.85 0.16 -0.76 -1.51 0.00 0.00 177.10 174.16 1uey s LEU 81 N 3.04 3.71 0.12 0.60 1.43 -1.26 -5.09 118.68 121.22 1uey s LEU 81 Ca 0.26 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1uey s LEU 81 Cb -0.13 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1uey s LEU 81 CO 0.20 -0.03 -0.05 -0.44 0.23 0.00 0.00 176.35 176.27 1uey s SER 82 N -3.77 1.16 0.31 2.29 0.01 -1.26 -5.04 113.70 107.40 1uey s SER 82 Ca 0.32 -1.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 1uey s SER 82 Cb -0.08 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 1uey s SER 82 CO 0.24 -0.49 1.07 -2.16 0.41 0.00 0.00 173.24 172.31 1uey s PRO 83 N -3.86 4.53 -0.49 12.44 0.04 -1.26 -4.24 135.00 142.17 1uey s PRO 83 Ca 0.15 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.83 1uey s PRO 83 Cb 0.05 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.58 1uey s PRO 83 CO -0.02 0.14 0.53 0.66 0.04 0.00 0.00 177.00 178.35 1uey n TYR 84 N 0.87 -2.61 -3.31 0.56 4.01 -1.20 -4.91 117.16 110.57 1uey n TYR 84 Ca 0.00 1.02 0.04 0.00 -0.16 0.00 0.00 57.90 58.80 1uey n TYR 84 Cb 0.46 -3.61 -0.05 0.00 -0.31 0.00 0.00 39.34 35.83 1uey n TYR 84 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1uey s VAL 85 N -2.68 -0.02 0.03 -0.72 0.11 -1.26 -5.07 120.40 110.79 1uey s VAL 85 Ca 0.09 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1uey s VAL 85 Cb -0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1uey s VAL 85 CO 0.61 0.00 0.04 0.21 -3.33 0.00 0.00 175.10 172.64 1uey s ASN 86 N 1.71 5.37 0.00 3.54 3.04 -1.26 -4.27 114.94 123.07 1uey s ASN 86 Ca -0.02 0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.89 1uey s ASN 86 Cb -0.01 -1.44 0.00 0.00 -1.54 0.00 0.00 41.25 38.26 1uey s ASN 86 CO -0.14 0.23 0.00 0.00 -3.04 0.00 0.00 177.10 174.15 1uey n TYR 87 N 0.97 0.00 -4.58 0.43 0.18 -1.25 -1.86 117.16 111.05 1uey n TYR 87 Ca -0.12 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.40 1uey n TYR 87 Cb 0.52 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.42 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 0.15 2.46 -3.89 9.48 3.41 -1.09 -4.03 113.62 120.11 1uey n SER 88 Ca 0.00 -2.93 -0.26 0.00 -0.26 0.00 0.00 58.87 55.42 1uey n SER 88 Cb 0.00 0.54 -0.17 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.71 1.29 0.24 7.33 0.08 -1.26 -3.73 117.98 119.22 1uey s PHE 89 Ca 0.07 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.61 1uey s PHE 89 Cb 0.00 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1uey s PHE 89 CO 0.05 -0.44 0.09 0.50 -0.10 0.00 0.00 175.22 175.32 1uey s ARG 90 N 1.63 2.61 -0.02 0.44 3.52 0.66 -2.04 118.95 125.77 1uey s ARG 90 Ca 0.03 -1.18 0.01 0.00 -0.13 0.00 0.00 55.73 54.45 1uey s ARG 90 Cb -0.13 -2.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 1uey s ARG 90 CO -0.06 0.40 -0.02 0.08 -0.81 0.00 0.00 175.30 174.89 1uey s VAL 91 N -2.12 0.25 0.14 7.11 1.01 -1.26 -1.45 120.40 124.08 1uey s VAL 91 Ca 0.31 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1uey s VAL 91 Cb -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1uey s VAL 91 CO 0.22 0.11 -0.19 -0.04 0.00 0.00 0.00 175.10 175.20 1uey s MET 92 N 0.41 1.20 -0.04 2.72 -1.94 0.59 -1.12 119.30 121.11 1uey s MET 92 Ca -0.04 -1.30 0.06 0.00 -1.71 0.00 0.00 55.69 52.71 1uey s MET 92 Cb -0.07 -1.33 -0.02 0.00 2.01 0.00 0.00 34.83 35.42 1uey s MET 92 CO -0.01 0.29 -0.24 0.00 -0.01 0.00 0.00 175.02 175.05 1uey s ALA 93 N -1.68 2.24 -0.05 3.03 0.00 -1.26 -0.87 121.76 123.16 1uey s ALA 93 Ca 0.11 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1uey s ALA 93 Cb -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1uey s ALA 93 CO 0.05 0.48 -0.06 0.08 0.00 0.00 0.00 175.76 176.31 1uey s VAL 94 N -0.42 0.66 0.00 0.00 1.01 -0.59 -0.64 120.40 120.43 1uey s VAL 94 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1uey s VAL 94 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1uey s VAL 94 CO 0.01 0.26 0.00 -0.46 0.00 0.00 0.00 175.10 174.91 1uey n ASN 95 N 4.08 0.72 -0.29 3.32 0.23 -0.67 -1.88 115.26 120.77 1uey n ASN 95 Ca -0.23 -0.93 0.09 0.00 -0.53 0.00 0.00 54.58 52.97 1uey n ASN 95 Cb 0.51 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.28 0.00 0.53 0.02 -1.91 -3.03 113.55 108.87 1uey h SER 96 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1uey h SER 96 Cb 0.00 0.35 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1uey h SER 96 CO 0.00 -0.21 0.00 -0.38 -1.14 0.00 0.00 176.83 175.10 1uey n ILE 97 N -5.34 0.00 -1.51 3.27 2.08 -1.26 -5.04 119.36 111.56 1uey n ILE 97 Ca 0.18 0.63 0.00 0.00 0.56 0.00 0.00 62.75 64.11 1uey n ILE 97 Cb 0.58 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 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 -0.15 3.09 3.52 7.39 0.00 -1.15 -5.03 105.19 112.86 1uey n GLY 98 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 1.54 3.75 1.22 1.61 2.20 -1.26 -1.67 119.74 127.13 1uey s LYS 99 Ca 0.00 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 54.98 1uey s LYS 99 Cb 0.00 -3.54 0.29 0.00 -1.51 0.00 0.00 37.83 33.08 1uey s LYS 99 CO 0.00 -0.22 1.10 -1.54 -0.36 0.00 0.00 175.35 174.33 1uey s SER 100 N 1.69 0.79 0.82 1.43 1.04 0.19 -5.00 113.70 114.66 1uey s SER 100 Ca 0.06 0.63 -0.11 0.00 0.48 0.00 0.00 55.95 57.01 1uey s SER 100 Cb -0.16 -0.87 0.08 0.00 0.10 0.00 0.00 66.02 65.18 1uey s SER 100 CO 0.08 -4.21 1.09 -0.76 0.98 0.00 0.00 173.24 170.42 1uey s LEU 101 N -6.99 2.74 0.37 2.42 1.43 -1.26 -4.61 118.68 112.77 1uey s LEU 101 Ca 0.71 1.69 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 1uey s LEU 101 Cb -0.10 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 1uey s LEU 101 CO 0.56 -2.27 1.06 -2.16 0.23 0.00 0.00 176.35 173.77 1uey s PRO 102 N -4.92 4.28 0.87 1.29 0.04 -1.26 -4.57 135.00 130.72 1uey s PRO 102 Ca 0.62 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1uey s PRO 102 Cb -0.17 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.72 1uey s PRO 102 CO 0.56 -0.06 0.75 -1.13 0.04 0.00 0.00 177.00 177.16 1uey n SER 103 N 0.23 -0.76 0.00 6.66 3.41 -0.28 -4.90 113.62 117.99 1uey n SER 103 Ca 0.04 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1uey n SER 103 Cb 0.48 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 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 -2.32 0.00 0.00 4.33 1.02 -1.26 -4.73 120.64 117.68 1uey n GLU 104 Ca 0.10 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1uey n GLU 104 Cb 0.52 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.90 0.00 -0.63 0.62 0.00 -1.26 -5.04 120.51 112.30 1uey n ALA 105 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1uey n ALA 105 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.62 -4.71 0.00 2.88 -0.86 -4.92 113.62 104.38 1uey n SER 106 Ca 0.00 0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 1uey n SER 106 Cb 0.00 -1.20 0.11 0.00 -0.75 0.00 0.00 64.21 62.37 1uey n SER 106 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1uey s GLU 107 N -4.02 1.90 -0.81 -1.46 -1.05 -1.26 -4.55 118.70 107.44 1uey s GLU 107 Ca 0.62 1.76 -0.26 0.00 -0.15 0.00 0.00 54.97 56.95 1uey s GLU 107 Cb -0.20 -1.80 0.03 0.00 -0.44 0.00 0.00 34.13 31.71 1uey s GLU 107 CO 0.65 -2.02 1.43 -0.65 0.95 0.00 0.00 175.26 175.62 1uey s GLN 108 N -4.02 3.20 -0.23 -4.83 -0.21 -1.26 -4.65 119.66 107.65 1uey s GLN 108 Ca 0.74 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 55.66 1uey s GLN 108 Cb -0.29 -4.57 -0.03 0.00 1.00 0.00 0.00 33.01 29.11 1uey s GLN 108 CO 0.48 -2.30 0.07 -0.47 -2.12 0.00 0.00 175.29 170.95 1uey s TYR 109 N 6.14 3.12 0.23 0.91 5.04 -1.26 -4.90 117.35 126.64 1uey s TYR 109 Ca 0.43 -0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1uey s TYR 109 Cb -0.06 -2.21 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1uey s TYR 109 CO 0.08 -0.24 0.38 -1.17 -1.34 0.00 0.00 175.55 173.27 1uey s LEU 110 N 1.35 4.25 -0.05 6.97 2.96 -1.26 -4.52 118.68 128.38 1uey s LEU 110 Ca 0.05 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 1uey s LEU 110 Cb -0.15 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1uey s LEU 110 CO 0.04 -0.08 -0.19 0.42 -1.32 0.00 0.00 176.35 175.21 1uey s THR 111 N -1.96 1.62 0.00 3.68 -4.23 -1.26 -5.02 115.64 108.47 1uey s THR 111 Ca 0.36 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1uey s THR 111 Cb -0.10 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1uey s THR 111 CO 0.30 0.46 0.00 0.29 -0.54 0.00 0.00 174.62 175.13 1uey n LYS 112 N 3.10 0.00 0.00 3.99 4.01 -1.26 -3.22 118.16 124.78 1uey n LYS 112 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1uey n LYS 112 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uey n ALA 113 N 3.53 -0.30 -3.23 7.82 0.00 -1.26 -4.64 120.51 122.44 1uey n ALA 113 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1uey n ALA 113 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.06 5.66 -3.22 0.00 2.88 -1.26 -4.89 113.62 111.73 1uey n SER 114 Ca 0.00 -3.25 0.04 0.00 -1.33 0.00 0.00 58.87 54.33 1uey n SER 114 Cb 0.00 -1.24 -0.02 0.00 -0.75 0.00 0.00 64.21 62.19 1uey n SER 114 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1uey s GLU 115 N -2.06 0.24 0.00 -1.46 2.12 -1.26 -5.18 118.70 111.10 1uey s GLU 115 Ca 0.31 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1uey s GLU 115 Cb -0.01 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1uey s GLU 115 CO 0.00 -0.21 0.00 -0.35 -0.54 0.00 0.00 175.26 174.16 1uey n PRO 116 N 5.30 0.64 -1.00 4.30 -0.04 -1.26 -4.56 135.00 138.38 1uey n PRO 116 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1uey n PRO 116 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.72 -3.01 -3.09 3.54 -0.08 -1.26 -4.39 116.55 107.54 1uey n ASP 117 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1uey n ASP 117 Cb 0.00 -0.52 -0.00 0.00 2.34 0.00 0.00 41.12 42.94 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1uey n LYS 118 N -2.99 -1.04 -2.03 -0.67 5.02 -1.26 -4.62 118.16 110.57 1uey n LYS 118 Ca -0.00 1.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 1uey n LYS 118 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1uey n LYS 118 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uey n ASN 119 N 1.53 -9.03 -4.59 4.39 2.85 -1.26 -4.77 115.26 104.38 1uey n ASN 119 Ca -0.02 1.37 -0.42 0.00 -0.11 0.00 0.00 54.58 55.40 1uey n ASN 119 Cb 0.34 -5.06 -0.02 0.00 1.24 0.00 0.00 39.78 36.28 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 -0.91 3.42 0.20 1.20 0.04 -1.26 -4.93 135.00 132.76 1uey s PRO 120 Ca 0.00 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 1uey s PRO 120 Cb 0.00 -4.09 0.05 0.00 0.04 0.00 0.00 34.50 30.51 1uey s PRO 120 CO 0.00 -1.77 0.90 -0.08 0.04 0.00 0.00 177.00 176.09 1uey s THR 121 N 5.89 0.00 -0.35 1.26 -1.32 -1.26 -5.05 115.64 114.81 1uey s THR 121 Ca 0.59 -0.76 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1uey s THR 121 Cb -0.13 -2.17 0.06 0.00 -1.51 0.00 0.00 72.50 68.76 1uey s THR 121 CO 0.29 0.00 0.11 -0.44 -2.21 0.00 0.00 174.62 172.37 1uey s SER 122 N -3.00 5.19 0.00 8.08 0.01 -1.26 -5.05 113.70 117.66 1uey s SER 122 Ca 0.13 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1uey s SER 122 Cb -0.03 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1uey s SER 122 CO 0.04 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1uey n GLY 123 N 4.70 4.73 3.41 3.44 0.00 -1.26 -5.17 105.19 115.04 1uey n GLY 123 Ca -0.10 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.08 -3.64 1.61 -0.04 -1.26 -5.10 135.00 124.49 1uey n PRO 124 Ca 0.00 -1.77 -0.05 0.00 -0.04 0.00 0.00 63.50 61.64 1uey n PRO 124 Cb 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -4.89 -0.72 -0.13 3.54 0.15 -1.26 -5.17 113.70 105.23 1uey s SER 125 Ca 0.68 1.17 -0.10 0.00 0.70 0.00 0.00 55.95 58.40 1uey s SER 125 Cb -0.04 1.29 0.04 0.00 -1.71 0.00 0.00 66.02 65.60 1uey s SER 125 CO 0.50 -0.19 0.32 -0.55 1.20 0.00 0.00 173.24 174.52 1uey s SER 126 N 1.40 -0.35 0.00 5.45 0.15 -1.26 -5.36 113.70 113.73 1uey s SER 126 Ca -0.09 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1uey s SER 126 Cb -0.04 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1uey s SER 126 CO -0.16 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.76