#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 2.07 0.45 1.61 0.15 -1.26 -5.07 113.70 111.65 1uey s SER 2 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1uey s SER 2 Cb 0.00 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1uey s SER 2 CO 0.00 0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.27 1uey n SER 3 N 1.72 -5.68 -4.15 5.45 2.88 -1.26 -4.71 113.62 107.87 1uey n SER 3 Ca -0.18 1.08 -0.38 0.00 -1.33 0.00 0.00 58.87 58.06 1uey n SER 3 Cb 0.54 -3.58 -0.05 0.00 -0.75 0.00 0.00 64.21 60.36 1uey n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uey s GLY 4 N -6.26 3.09 0.25 0.46 0.00 -1.26 -5.05 107.32 98.55 1uey s GLY 4 Ca 0.00 -3.83 -0.17 0.00 0.00 0.00 0.00 44.72 40.73 1uey s GLY 4 CO 0.00 1.22 0.70 -1.35 0.00 0.00 0.00 173.10 173.67 1uey s SER 5 N 0.14 6.90 0.08 1.64 1.04 -1.26 -4.94 113.70 117.30 1uey s SER 5 Ca 0.28 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1uey s SER 5 Cb -0.08 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1uey s SER 5 CO -0.12 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 172.85 1uey n SER 6 N 0.26 -0.22 -2.82 7.02 7.64 -1.26 -5.03 113.62 119.21 1uey n SER 6 Ca -0.00 0.15 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1uey n SER 6 Cb 0.52 0.31 0.02 0.00 -1.01 0.00 0.00 64.21 64.06 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 1.03 0.34 2.65 0.23 0.00 -1.26 -5.04 105.19 103.15 1uey n GLY 7 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1uey n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uey n PRO 8 N 1.86 2.53 0.00 1.61 -0.04 -1.26 -4.55 135.00 135.15 1uey n PRO 8 Ca 0.12 -1.94 -0.13 0.00 -0.04 0.00 0.00 63.50 61.52 1uey n PRO 8 Cb 0.60 -2.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 1uey n PRO 8 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1uey h THR 9 N 3.64 1.28 -3.15 0.52 2.02 -1.98 -3.43 112.91 111.81 1uey h THR 9 Ca 0.59 -1.26 -0.57 0.00 0.77 0.00 0.00 66.41 65.95 1uey h THR 9 Cb 0.38 2.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 1uey h THR 9 CO 1.72 0.31 1.02 -2.16 0.37 0.00 0.00 175.52 176.78 1uey s PRO 10 N -3.85 3.80 0.31 6.66 0.04 -1.26 -4.69 135.00 135.99 1uey s PRO 10 Ca -0.15 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1uey s PRO 10 Cb 0.01 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1uey s PRO 10 CO 0.63 -1.28 0.00 0.00 0.04 0.00 0.00 177.00 176.39 1uey n ALA 11 N 8.08 -1.78 -1.00 8.56 0.00 -1.26 -5.01 120.51 128.10 1uey n ALA 11 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1uey n ALA 11 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.91 -0.34 -3.71 0.00 -0.04 -1.26 -4.92 135.00 123.82 1uey n PRO 12 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1uey n PRO 12 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.89 -0.01 0.00 0.52 1.01 -1.26 -5.09 120.40 114.68 1uey s VAL 13 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1uey s VAL 13 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1uey s VAL 13 CO 0.00 0.01 0.00 -1.22 0.00 0.00 0.00 175.10 173.89 1uey n TYR 14 N 3.35 -0.32 0.00 5.22 4.01 -1.26 -4.38 117.16 123.78 1uey n TYR 14 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1uey n TYR 14 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.05 0.00 -1.00 7.72 8.00 -1.26 -5.06 116.55 123.91 1uey n ASP 15 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1uey n ASP 15 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1uey n ASP 15 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uey n VAL 16 N 0.00 -0.40 -2.41 2.53 0.24 -1.26 -4.59 118.33 112.43 1uey n VAL 16 Ca 0.00 0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 62.33 1uey n VAL 16 Cb 0.00 -0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 1uey n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1uey s PRO 17 N -4.38 4.24 0.99 7.34 0.04 -1.25 -4.57 135.00 137.41 1uey s PRO 17 Ca 0.00 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1uey s PRO 17 Cb 0.00 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.70 1uey s PRO 17 CO 0.00 -0.69 -0.47 0.09 0.04 0.00 0.00 177.00 175.97 1uey n ASN 18 N 6.53 -4.24 -4.80 6.66 5.03 -0.82 -4.42 115.26 119.20 1uey n ASN 18 Ca 0.14 0.18 -0.34 0.00 0.87 0.00 0.00 54.58 55.43 1uey n ASN 18 Cb 0.45 -0.88 -0.03 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.60 3.73 0.94 3.52 0.04 -1.26 -4.37 135.00 135.00 1uey s PRO 19 Ca 0.46 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 1uey s PRO 19 Cb -0.15 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.46 1uey s PRO 19 CO 0.75 -0.48 1.15 -1.25 0.04 0.00 0.00 177.00 177.21 1uey s PRO 20 N -3.38 0.89 0.17 0.56 0.04 -1.26 -4.02 135.00 128.01 1uey s PRO 20 Ca 0.66 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 1uey s PRO 20 Cb -0.16 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1uey s PRO 20 CO 0.23 -2.35 0.27 1.97 0.04 0.00 0.00 177.00 177.16 1uey n PHE 21 N -3.85 -1.13 -1.42 0.56 1.16 0.03 -4.39 117.46 108.42 1uey n PHE 21 Ca 0.08 -1.04 -0.15 0.00 -1.87 0.00 0.00 57.45 54.47 1uey n PHE 21 Cb 0.59 0.31 -0.06 0.00 -1.61 0.00 0.00 39.48 38.71 1uey n PHE 21 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1uey n ASP 22 N -1.70 -4.27 -4.24 5.98 2.03 -1.26 -2.89 116.55 110.20 1uey n ASP 22 Ca -0.01 0.37 -0.38 0.00 0.52 0.00 0.00 54.79 55.30 1uey n ASP 22 Cb 0.28 -3.79 0.03 0.00 -0.72 0.00 0.00 41.12 36.91 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 -1.93 -3.17 -3.64 -2.67 4.32 -1.26 -4.81 117.00 103.83 1uey n LEU 23 Ca -0.15 0.53 -0.09 0.00 -0.02 0.00 0.00 56.01 56.28 1uey n LEU 23 Cb 0.52 -0.92 -0.02 0.00 -1.62 0.00 0.00 43.42 41.39 1uey n LEU 23 CO 0.23 -4.70 0.50 -1.61 -1.22 0.00 0.00 177.39 170.59 1uey s GLU 24 N -1.66 1.42 -0.19 3.23 2.02 -0.63 -4.89 118.70 118.00 1uey s GLU 24 Ca 0.55 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 1uey s GLU 24 Cb -0.38 0.55 0.06 0.00 0.10 0.00 0.00 34.13 34.46 1uey s GLU 24 CO 0.68 -0.64 0.08 -0.51 0.02 0.00 0.00 175.26 174.89 1uey s LEU 25 N -2.81 0.60 -0.17 1.80 1.43 -1.26 -1.82 118.68 116.45 1uey s LEU 25 Ca 0.07 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1uey s LEU 25 Cb -0.03 -0.35 0.06 0.00 0.03 0.00 0.00 46.19 45.90 1uey s LEU 25 CO -0.03 -0.34 0.41 0.42 0.23 0.00 0.00 176.35 177.04 1uey s THR 26 N 2.05 -0.09 0.13 5.49 -4.23 -1.00 -4.99 115.64 113.01 1uey s THR 26 Ca 0.02 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1uey s THR 26 Cb -0.16 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 1uey s THR 26 CO -0.11 0.04 0.05 -0.62 -0.54 0.00 0.00 174.62 173.45 1uey s ASP 27 N 1.53 0.31 -0.37 3.99 2.15 -1.26 -4.12 116.67 118.90 1uey s ASP 27 Ca -0.09 -1.20 0.14 0.00 0.43 0.00 0.00 52.55 51.83 1uey s ASP 27 Cb -0.09 0.29 0.43 0.00 -0.30 0.00 0.00 42.92 43.25 1uey s ASP 27 CO -0.13 -0.72 0.95 0.00 -0.17 0.00 0.00 175.17 175.10 1uey n GLN 28 N -0.09 1.73 -3.33 4.34 10.64 -1.26 -4.98 117.38 124.43 1uey n GLN 28 Ca -0.06 -3.63 0.03 0.00 -1.83 0.00 0.00 57.00 51.51 1uey n GLN 28 Cb 0.64 -1.58 -0.03 0.00 -0.86 0.00 0.00 30.24 28.40 1uey n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1uey s LEU 29 N -3.13 -0.81 -1.12 2.61 1.43 -1.26 -5.07 118.68 111.33 1uey s LEU 29 Ca 0.35 0.82 -0.22 0.00 -1.03 0.00 0.00 54.13 54.05 1uey s LEU 29 Cb 0.42 1.81 -0.08 0.00 0.03 0.00 0.00 46.19 48.36 1uey s LEU 29 CO -0.04 -0.15 1.92 -0.67 0.23 0.00 0.00 176.35 177.63 1uey n ASP 30 N 5.27 3.18 0.14 2.29 2.03 -1.26 -3.33 116.55 124.87 1uey n ASP 30 Ca -0.07 -2.72 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1uey n ASP 30 Cb 0.52 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 1uey n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uey n LYS 31 N 7.98 0.00 -3.58 -0.67 4.76 -1.26 -5.11 118.16 120.28 1uey n LYS 31 Ca 0.46 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.80 1uey n LYS 31 Cb 0.45 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.54 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 -2.00 0.11 1.24 4.39 0.01 -1.21 -4.80 113.70 111.44 1uey s SER 32 Ca 0.00 0.64 -0.17 0.00 1.31 0.00 0.00 55.95 57.73 1uey s SER 32 Cb 0.00 1.07 0.27 0.00 0.21 0.00 0.00 66.02 67.57 1uey s SER 32 CO 0.00 -0.25 0.69 0.55 0.41 0.00 0.00 173.24 174.63 1uey n VAL 33 N 5.37 0.00 -4.65 3.43 3.14 -0.33 -4.58 118.33 120.71 1uey n VAL 33 Ca -0.07 -0.29 -0.24 0.00 -2.96 0.00 0.00 64.34 60.78 1uey n VAL 33 Cb 0.50 -0.86 -0.16 0.00 -1.06 0.00 0.00 33.84 32.25 1uey n VAL 33 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1uey s GLN 34 N -4.26 1.57 -0.26 1.45 0.74 -1.26 0.25 119.66 117.90 1uey s GLN 34 Ca 0.62 -0.47 -0.09 0.00 0.05 0.00 0.00 55.36 55.47 1uey s GLN 34 Cb -0.17 -1.35 -0.04 0.00 1.10 0.00 0.00 33.01 32.54 1uey s GLN 34 CO 0.60 0.14 0.13 -1.17 -0.55 0.00 0.00 175.29 174.44 1uey s LEU 35 N 0.30 3.78 -0.39 3.68 0.20 0.42 -2.37 118.68 124.31 1uey s LEU 35 Ca -0.08 -0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.64 1uey s LEU 35 Cb -0.12 -2.03 0.09 0.00 -0.43 0.00 0.00 46.19 43.70 1uey s LEU 35 CO 0.02 -0.02 0.17 -0.94 -0.29 0.00 0.00 176.35 175.30 1uey s SER 36 N 1.54 5.25 0.31 3.68 1.04 -0.75 -2.40 113.70 122.36 1uey s SER 36 Ca 0.06 -1.80 0.08 0.00 0.48 0.00 0.00 55.95 54.77 1uey s SER 36 Cb -0.15 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 1uey s SER 36 CO 0.07 -0.49 0.23 -1.66 0.98 0.00 0.00 173.24 172.37 1uey s TRP 37 N 1.21 2.92 -0.20 5.02 -2.14 -1.07 -1.60 118.94 123.08 1uey s TRP 37 Ca 0.05 -0.26 -0.00 0.00 2.66 0.00 0.00 56.10 58.55 1uey s TRP 37 Cb -0.22 -1.64 0.05 0.00 -3.10 0.00 0.00 33.47 28.55 1uey s TRP 37 CO -0.03 0.31 -0.05 0.99 -2.66 0.00 0.00 176.95 175.52 1uey s THR 38 N -2.28 1.26 -0.10 0.66 2.01 -1.14 -4.84 115.64 111.21 1uey s THR 38 Ca 0.38 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1uey s THR 38 Cb -0.06 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1uey s THR 38 CO 0.25 0.02 1.24 -2.16 -0.69 0.00 0.00 174.62 173.28 1uey s PRO 39 N 1.54 4.29 0.00 4.92 0.04 -1.26 -0.78 135.00 143.75 1uey s PRO 39 Ca -0.02 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1uey s PRO 39 Cb -0.17 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1uey s PRO 39 CO -0.07 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1uey n GLY 40 N 3.49 0.31 3.63 0.56 0.00 -1.26 -4.97 105.19 106.95 1uey n GLY 40 Ca 0.12 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 0.02 -0.00 1.61 8.00 -1.26 -4.84 116.55 120.07 1uey n ASP 41 Ca 0.00 0.44 0.05 0.00 0.71 0.00 0.00 54.79 55.99 1uey n ASP 41 Cb 0.00 -1.43 -0.08 0.00 -0.02 0.00 0.00 41.12 39.59 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 -3.50 2.11 -3.00 -2.24 8.00 -1.26 -1.95 116.55 114.70 1uey n ASP 42 Ca 0.11 -0.14 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 1uey n ASP 42 Cb 0.52 1.41 0.01 0.00 -0.02 0.00 0.00 41.12 43.03 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 -1.76 -7.37 0.00 -2.24 5.03 -1.26 -3.29 115.26 104.36 1uey n ASN 43 Ca -0.01 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1uey n ASN 43 Cb 0.26 -5.07 0.00 0.00 -1.02 0.00 0.00 39.78 33.95 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 -1.89 0.00 -4.64 6.41 3.02 -1.26 -4.32 115.26 112.58 1uey n ASN 44 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1uey n ASN 44 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 6.68 0.49 6.41 0.15 -1.21 -4.99 113.70 121.23 1uey s SER 45 Ca 0.00 1.63 -0.20 0.00 0.70 0.00 0.00 55.95 58.08 1uey s SER 45 Cb 0.00 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1uey s SER 45 CO 0.00 -1.00 1.04 -2.16 1.20 0.00 0.00 173.24 172.31 1uey s PRO 46 N 4.07 3.79 0.46 5.44 0.04 -1.26 -4.54 135.00 143.00 1uey s PRO 46 Ca 0.62 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1uey s PRO 46 Cb -0.23 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 1uey s PRO 46 CO 0.23 -0.44 1.33 0.42 0.04 0.00 0.00 177.00 178.58 1uey s ILE 47 N -1.99 2.40 0.00 0.56 -1.09 -1.26 -4.38 121.20 115.44 1uey s ILE 47 Ca 0.67 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1uey s ILE 47 Cb -0.16 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 1uey s ILE 47 CO 0.20 0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.29 1uey n THR 48 N -0.34 0.00 -3.96 2.92 -2.24 -0.54 -4.60 114.28 105.52 1uey n THR 48 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1uey n THR 48 Cb 0.44 -0.63 -0.09 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 -1.86 0.72 -0.22 -0.78 2.20 -0.71 0.20 119.74 119.29 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 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.66 1uey s LYS 49 CO 0.00 -0.19 0.06 -0.06 -0.36 0.00 0.00 175.35 174.80 1uey s PHE 50 N -3.70 0.97 0.29 4.03 0.08 0.50 -1.39 117.98 118.76 1uey s PHE 50 Ca 0.04 -0.93 -0.10 0.00 0.12 0.00 0.00 56.93 56.06 1uey s PHE 50 Cb 0.05 -1.08 -0.07 0.00 -0.57 0.00 0.00 43.02 41.35 1uey s PHE 50 CO -0.10 -0.66 0.63 0.42 -0.10 0.00 0.00 175.22 175.41 1uey s ILE 51 N 1.88 4.87 0.18 0.64 1.09 0.59 -0.23 121.20 130.20 1uey s ILE 51 Ca 0.02 0.52 0.07 0.00 -1.10 0.00 0.00 60.65 60.16 1uey s ILE 51 Cb -0.17 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1uey s ILE 51 CO -0.13 -0.23 -0.15 -0.63 -0.10 0.00 0.00 174.94 173.70 1uey s ILE 52 N -2.01 1.62 0.07 2.92 1.09 0.16 0.19 121.20 125.25 1uey s ILE 52 Ca 0.49 -2.05 -0.20 0.00 -1.10 0.00 0.00 60.65 57.79 1uey s ILE 52 Cb -0.11 -1.89 0.05 0.00 -1.06 0.00 0.00 42.46 39.45 1uey s ILE 52 CO 0.24 -0.53 0.48 -1.61 -0.10 0.00 0.00 174.94 173.42 1uey s GLU 53 N -3.32 1.04 0.05 2.79 2.02 -1.22 -2.27 118.70 117.79 1uey s GLU 53 Ca 0.18 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.76 1uey s GLU 53 Cb -0.02 0.47 -0.02 0.00 0.10 0.00 0.00 34.13 34.65 1uey s GLU 53 CO 0.05 -0.39 0.04 1.52 0.02 0.00 0.00 175.26 176.51 1uey s TYR 54 N -2.85 0.35 -0.03 1.61 1.13 -1.19 -0.22 117.35 116.16 1uey s TYR 54 Ca -0.03 -0.78 0.06 0.00 -1.41 0.00 0.00 57.07 54.91 1uey s TYR 54 Cb -0.00 -0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1uey s TYR 54 CO -0.05 -0.38 -0.21 -1.83 -2.51 0.00 0.00 175.55 170.57 1uey s GLU 55 N -3.28 1.83 -0.90 -3.49 4.04 -1.22 -1.50 118.70 114.18 1uey s GLU 55 Ca 0.01 -0.73 -0.19 0.00 0.04 0.00 0.00 54.97 54.09 1uey s GLU 55 Cb 0.03 -1.68 0.12 0.00 0.02 0.00 0.00 34.13 32.62 1uey s GLU 55 CO -0.08 0.39 1.11 -0.51 -1.84 0.00 0.00 175.26 174.34 1uey s ASP 56 N -0.32 6.57 0.40 0.83 1.11 -1.23 -2.16 116.67 121.88 1uey s ASP 56 Ca 0.04 -1.92 0.18 0.00 0.18 0.00 0.00 52.55 51.03 1uey s ASP 56 Cb -0.10 -2.40 0.86 0.00 1.07 0.00 0.00 42.92 42.35 1uey s ASP 56 CO 0.01 -1.11 1.85 0.00 1.18 0.00 0.00 175.17 177.09 1uey h ALA 57 N 8.94 1.23 -0.05 5.23 0.00 -1.59 1.59 119.26 134.61 1uey h ALA 57 Ca 0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 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 1.12 0.40 -0.60 1.98 0.00 0.00 0.00 179.25 182.16 1uey h MET 58 N 0.00 0.16 0.00 0.00 1.85 -1.83 -3.37 114.93 111.74 1uey h MET 58 Ca -0.00 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1uey h MET 58 Cb 0.67 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.72 1uey h MET 58 CO 0.04 0.71 -0.16 0.72 -0.40 0.00 0.00 176.91 177.82 1uey n HIS 59 N -3.86 0.00 -3.60 1.39 -0.00 -0.92 -4.98 115.22 103.24 1uey n HIS 59 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.42 1uey n HIS 59 Cb 0.61 -0.08 -0.16 0.00 -0.00 0.00 0.00 29.99 30.36 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 -1.34 0.27 0.03 -0.41 -0.14 0.54 -5.07 119.74 113.61 1uey s LYS 60 Ca -0.05 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.78 1uey s LYS 60 Cb 0.01 -1.53 -0.05 0.00 -1.68 0.00 0.00 37.83 34.58 1uey s LYS 60 CO 0.07 -0.89 1.18 -1.25 -0.76 0.00 0.00 175.35 173.70 1uey s PRO 61 N 2.02 4.43 0.00 -1.68 0.04 -0.84 -2.90 135.00 136.07 1uey s PRO 61 Ca 0.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1uey s PRO 61 Cb -0.16 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1uey s PRO 61 CO -0.26 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1uey n GLY 62 N 3.22 2.53 3.50 0.56 0.00 -1.26 -4.99 105.19 108.75 1uey n GLY 62 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1uey n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uey s LEU 63 N 0.00 3.98 0.10 0.99 2.96 -1.14 -5.01 118.68 120.56 1uey s LEU 63 Ca 0.00 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.18 1uey s LEU 63 Cb 0.00 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.01 1uey s LEU 63 CO 0.00 -1.47 0.47 0.26 -1.32 0.00 0.00 176.35 174.29 1uey s TRP 64 N 4.45 3.61 0.11 5.38 0.52 -1.26 -3.59 118.94 128.16 1uey s TRP 64 Ca 0.29 0.93 0.06 0.00 0.02 0.00 0.00 56.10 57.39 1uey s TRP 64 Cb -0.13 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1uey s TRP 64 CO 0.15 0.49 -0.14 -1.01 0.02 0.00 0.00 176.95 176.45 1uey s HIS 65 N -1.40 1.38 -0.39 -1.98 3.76 -0.56 -4.94 115.29 111.16 1uey s HIS 65 Ca 0.34 -0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 54.45 1uey s HIS 65 Cb -0.15 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1uey s HIS 65 CO 0.18 0.13 1.88 -1.58 -0.85 0.00 0.00 174.74 174.50 1uey s HIS 66 N -1.91 1.68 0.00 1.40 2.46 -1.26 -3.16 115.29 114.50 1uey s HIS 66 Ca 0.06 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1uey s HIS 66 Cb -0.06 -4.07 0.00 0.00 -0.13 0.00 0.00 32.58 28.32 1uey s HIS 66 CO 0.03 -2.87 0.00 0.94 -2.47 0.00 0.00 174.74 170.37 1uey n GLN 67 N 8.64 0.00 -3.53 2.88 -0.06 -0.96 -5.01 117.38 119.34 1uey n GLN 67 Ca 0.24 0.12 -0.07 0.00 -2.00 0.00 0.00 57.00 55.29 1uey n GLN 67 Cb 0.48 -0.57 -0.02 0.00 -4.06 0.00 0.00 30.24 26.08 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 -0.29 0.00 0.30 1.69 -1.32 -1.22 -5.00 115.64 109.78 1uey s THR 68 Ca 0.00 -0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 1uey s THR 68 Cb 0.00 -1.06 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1uey s THR 68 CO 0.00 0.00 0.01 -1.83 -2.21 0.00 0.00 174.62 170.59 1uey s GLU 69 N -3.01 1.57 0.30 7.08 4.04 -1.26 0.39 118.70 127.81 1uey s GLU 69 Ca 0.06 -1.83 0.03 0.00 0.04 0.00 0.00 54.97 53.27 1uey s GLU 69 Cb -0.01 -0.94 -0.01 0.00 0.02 0.00 0.00 34.13 33.19 1uey s GLU 69 CO -0.08 -0.09 0.32 1.33 -1.84 0.00 0.00 175.26 174.90 1uey n VAL 70 N -0.61 0.00 -1.25 1.83 0.24 0.68 -4.94 118.33 114.28 1uey n VAL 70 Ca -0.04 -1.89 -0.29 0.00 -2.04 0.00 0.00 64.34 60.09 1uey n VAL 70 Cb 0.65 1.02 0.17 0.00 -1.47 0.00 0.00 33.84 34.21 1uey n VAL 70 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1uey s SER 71 N -2.97 2.70 -0.11 -1.34 0.01 -1.26 -0.37 113.70 110.35 1uey s SER 71 Ca 0.31 1.10 0.07 0.00 1.31 0.00 0.00 55.95 58.73 1uey s SER 71 Cb 0.01 -1.73 0.39 0.00 0.21 0.00 0.00 66.02 64.90 1uey s SER 71 CO 0.22 -3.07 1.10 0.61 0.41 0.00 0.00 173.24 172.50 1uey n GLY 72 N -1.34 2.19 0.02 3.44 0.00 0.52 -3.71 105.19 106.31 1uey n GLY 72 Ca 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 0.30 0.27 -2.17 2.61 -1.04 -1.26 -4.60 114.28 108.39 1uey n THR 73 Ca 0.13 -0.13 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1uey n THR 73 Cb 0.70 -0.76 0.08 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.09 2.05 0.00 -2.82 1.03 -1.24 -5.02 119.66 111.57 1uey s GLN 74 Ca -0.05 -0.26 0.01 0.00 0.04 0.00 0.00 55.36 55.10 1uey s GLN 74 Cb 0.01 -2.13 0.01 0.00 0.03 0.00 0.00 33.01 30.93 1uey s GLN 74 CO 0.13 -1.36 0.72 0.25 -2.54 0.00 0.00 175.29 172.49 1uey n THR 75 N -3.01 0.00 -3.67 3.63 -2.24 -1.26 -4.86 114.28 102.87 1uey n THR 75 Ca 0.09 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 1uey n THR 75 Cb 0.60 0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.18 -0.01 4.28 -4.23 -1.26 -2.60 115.64 111.64 1uey s THR 76 Ca 0.01 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1uey s THR 76 Cb 0.01 -0.21 -0.00 0.00 1.34 0.00 0.00 72.50 73.63 1uey s THR 76 CO -0.00 0.17 -0.08 0.00 -0.54 0.00 0.00 174.62 174.16 1uey s ALA 77 N 2.22 0.72 0.06 3.99 0.00 -1.01 -4.95 121.76 122.80 1uey s ALA 77 Ca 0.04 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1uey s ALA 77 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1uey s ALA 77 CO -0.04 0.15 1.18 -0.65 0.00 0.00 0.00 175.76 176.39 1uey s GLN 78 N -0.03 4.45 -0.04 0.00 1.11 -1.26 -0.43 119.66 123.46 1uey s GLN 78 Ca 0.01 1.74 0.01 0.00 0.01 0.00 0.00 55.36 57.12 1uey s GLN 78 Cb -0.05 -3.36 -0.03 0.00 -1.01 0.00 0.00 33.01 28.56 1uey s GLN 78 CO -0.00 -0.23 -0.03 -0.51 0.01 0.00 0.00 175.29 174.52 1uey s LEU 79 N 1.04 3.36 -0.44 2.90 1.43 0.14 -4.92 118.68 122.17 1uey s LEU 79 Ca 0.58 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1uey s LEU 79 Cb -0.29 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1uey s LEU 79 CO 0.29 0.33 0.46 0.20 0.23 0.00 0.00 176.35 177.86 1uey s ASN 80 N -1.17 6.19 0.17 2.29 -0.87 -1.26 -1.19 114.94 119.10 1uey s ASN 80 Ca 0.16 -0.83 0.06 0.00 -1.57 0.00 0.00 52.86 50.68 1uey s ASN 80 Cb -0.11 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 1uey s ASN 80 CO 0.05 -0.65 0.09 -0.76 -2.57 0.00 0.00 177.10 173.27 1uey s LEU 81 N 2.14 3.65 0.23 0.60 1.43 -1.26 -5.04 118.68 120.44 1uey s LEU 81 Ca 0.11 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1uey s LEU 81 Cb -0.19 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1uey s LEU 81 CO 0.12 0.07 -0.07 -0.44 0.23 0.00 0.00 176.35 176.26 1uey s SER 82 N -3.06 2.38 0.20 2.29 0.01 -1.26 -5.01 113.70 109.25 1uey s SER 82 Ca 0.30 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.12 1uey s SER 82 Cb -0.10 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 1uey s SER 82 CO 0.22 -0.34 1.11 -2.16 0.41 0.00 0.00 173.24 172.48 1uey s PRO 83 N -3.74 4.59 -0.87 12.44 0.04 -1.26 -3.77 135.00 142.42 1uey s PRO 83 Ca 0.26 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1uey s PRO 83 Cb 0.03 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1uey s PRO 83 CO 0.09 0.09 0.75 0.66 0.04 0.00 0.00 177.00 178.62 1uey n TYR 84 N 2.15 -1.87 -3.31 0.56 4.01 -1.26 -5.02 117.16 112.42 1uey n TYR 84 Ca 0.02 0.70 -0.11 0.00 -0.16 0.00 0.00 57.90 58.36 1uey n TYR 84 Cb 0.46 -4.04 -0.06 0.00 -0.31 0.00 0.00 39.34 35.39 1uey n TYR 84 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uey s VAL 85 N -3.30 -0.57 0.24 -0.72 1.01 -1.25 -5.10 120.40 110.72 1uey s VAL 85 Ca 0.22 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1uey s VAL 85 Cb -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1uey s VAL 85 CO 0.58 -0.36 0.84 0.21 0.00 0.00 0.00 175.10 176.38 1uey s ASN 86 N 2.04 7.33 -0.08 3.32 2.47 -1.26 -4.71 114.94 124.05 1uey s ASN 86 Ca 0.13 1.70 -0.31 0.00 0.42 0.00 0.00 52.86 54.80 1uey s ASN 86 Cb -0.12 -2.52 0.12 0.00 -1.45 0.00 0.00 41.25 37.28 1uey s ASN 86 CO -0.18 0.07 1.39 -0.72 -3.72 0.00 0.00 177.10 173.94 1uey s TYR 87 N -1.40 -0.00 0.54 0.43 -0.85 -1.25 -2.10 117.35 112.72 1uey s TYR 87 Ca 0.43 -0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 1uey s TYR 87 Cb -0.20 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.66 1uey s TYR 87 CO 0.25 -0.06 0.13 -1.54 -1.52 0.00 0.00 175.55 172.81 1uey s SER 88 N -3.48 4.31 -0.11 -0.18 1.04 -0.92 -3.71 113.70 110.66 1uey s SER 88 Ca 0.23 -1.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.04 1uey s SER 88 Cb 0.04 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1uey s SER 88 CO -0.04 -1.01 0.22 -0.36 0.98 0.00 0.00 173.24 173.03 1uey s PHE 89 N -2.88 -0.31 0.32 5.02 0.08 -1.26 -3.41 117.98 115.55 1uey s PHE 89 Ca 0.10 0.79 0.02 0.00 0.12 0.00 0.00 56.93 57.96 1uey s PHE 89 Cb -0.01 -0.11 0.02 0.00 -0.57 0.00 0.00 43.02 42.36 1uey s PHE 89 CO 0.07 -0.30 0.16 2.89 -0.10 0.00 0.00 175.22 177.94 1uey n ARG 90 N 5.10 1.09 -3.68 0.44 1.85 0.70 -2.61 116.66 119.55 1uey n ARG 90 Ca -0.10 -2.14 -0.11 0.00 -1.00 0.00 0.00 57.85 54.50 1uey n ARG 90 Cb 0.50 0.36 -0.09 0.00 -1.05 0.00 0.00 32.46 32.18 1uey n ARG 90 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1uey s VAL 91 N -1.82 -0.01 0.07 8.89 1.01 -1.26 -3.43 120.40 123.85 1uey s VAL 91 Ca 0.12 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1uey s VAL 91 Cb -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1uey s VAL 91 CO 0.08 0.02 -0.24 -0.04 0.00 0.00 0.00 175.10 174.91 1uey s MET 92 N 1.07 1.77 -0.10 2.72 -1.94 0.52 -0.91 119.30 122.43 1uey s MET 92 Ca -0.06 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1uey s MET 92 Cb -0.06 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 1uey s MET 92 CO -0.10 0.50 -0.09 0.00 -0.01 0.00 0.00 175.02 175.33 1uey s ALA 93 N -0.91 2.87 -0.06 3.03 0.00 -1.26 -0.30 121.76 125.12 1uey s ALA 93 Ca 0.13 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1uey s ALA 93 Cb -0.10 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1uey s ALA 93 CO 0.04 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.21 1uey s VAL 94 N -0.29 0.97 0.00 0.00 1.01 -0.49 -0.21 120.40 121.38 1uey s VAL 94 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1uey s VAL 94 Cb -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1uey s VAL 94 CO 0.03 0.32 0.00 -0.46 0.00 0.00 0.00 175.10 174.98 1uey n ASN 95 N 3.91 0.68 -0.30 3.32 0.23 -0.82 -1.46 115.26 120.81 1uey n ASN 95 Ca -0.23 -0.75 0.13 0.00 -0.53 0.00 0.00 54.58 53.20 1uey n ASN 95 Cb 0.51 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.51 1uey n ASN 95 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1uey h SER 96 N 0.00 0.07 0.00 0.53 0.87 -1.91 -3.08 113.55 110.03 1uey h SER 96 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1uey h SER 96 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1uey h SER 96 CO 0.00 -0.13 0.00 -0.38 -0.53 0.00 0.00 176.83 175.79 1uey n ILE 97 N -5.19 0.00 -1.77 2.23 2.08 -1.26 -5.05 119.36 110.40 1uey n ILE 97 Ca 0.22 0.57 0.00 0.00 0.56 0.00 0.00 62.75 64.10 1uey n ILE 97 Cb 0.69 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 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 -0.00 2.90 3.77 7.39 0.00 -1.17 -5.02 105.19 113.05 1uey n GLY 98 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1uey n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uey s LYS 99 N 1.34 4.08 0.78 1.61 2.20 -1.26 -1.95 119.74 126.54 1uey s LYS 99 Ca 0.00 0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 1uey s LYS 99 Cb 0.00 -3.36 0.12 0.00 -1.51 0.00 0.00 37.83 33.08 1uey s LYS 99 CO 0.00 0.40 1.09 -1.54 -0.36 0.00 0.00 175.35 174.94 1uey s SER 100 N -0.02 4.19 0.86 1.43 1.04 0.71 -4.97 113.70 116.94 1uey s SER 100 Ca 0.17 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 1uey s SER 100 Cb -0.13 -0.54 0.11 0.00 0.10 0.00 0.00 66.02 65.56 1uey s SER 100 CO 0.05 -1.99 1.15 -0.76 0.98 0.00 0.00 173.24 172.67 1uey s LEU 101 N -5.39 2.95 0.32 2.42 2.01 -1.26 -4.52 118.68 115.21 1uey s LEU 101 Ca 0.66 2.14 -0.28 0.00 0.01 0.00 0.00 54.13 56.67 1uey s LEU 101 Cb -0.07 -4.56 -0.09 0.00 0.01 0.00 0.00 46.19 41.47 1uey s LEU 101 CO 0.47 -2.77 1.07 -2.16 1.01 0.00 0.00 176.35 173.97 1uey s PRO 102 N -4.59 4.49 0.63 1.29 0.04 -1.26 -4.57 135.00 131.03 1uey s PRO 102 Ca 0.67 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1uey s PRO 102 Cb -0.23 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 1uey s PRO 102 CO 0.56 0.11 0.49 -1.13 0.04 0.00 0.00 177.00 177.07 1uey n SER 103 N 0.78 -1.22 0.00 6.66 3.41 -0.09 -4.87 113.62 118.29 1uey n SER 103 Ca 0.01 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1uey n SER 103 Cb 0.47 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 -0.22 0.00 0.00 4.33 1.02 -1.26 -4.64 120.64 119.87 1uey n GLU 104 Ca 0.11 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1uey n GLU 104 Cb 0.48 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.01 0.00 -0.47 0.62 0.00 -1.26 -4.99 120.51 113.40 1uey n ALA 105 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1uey n ALA 105 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1uey n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uey n SER 106 N 0.00 -2.04 -4.59 0.00 2.88 -1.07 -4.95 113.62 103.85 1uey n SER 106 Ca 0.00 -0.23 -0.30 0.00 -1.33 0.00 0.00 58.87 57.01 1uey n SER 106 Cb 0.00 -1.20 0.19 0.00 -0.75 0.00 0.00 64.21 62.45 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 -4.77 -1.06 -2.63 -1.46 0.28 -1.26 -4.61 120.64 105.13 1uey n GLU 107 Ca 0.02 -0.26 -0.42 0.00 -0.16 0.00 0.00 57.16 56.35 1uey n GLU 107 Cb 0.55 -2.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.11 1uey n GLU 107 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1uey s GLN 108 N -4.49 3.26 -0.31 3.44 -0.21 -1.26 -4.67 119.66 115.42 1uey s GLN 108 Ca 0.67 -0.57 -0.27 0.00 0.02 0.00 0.00 55.36 55.20 1uey s GLN 108 Cb -0.23 -4.42 0.01 0.00 1.00 0.00 0.00 33.01 29.37 1uey s GLN 108 CO 0.61 -2.08 0.99 -0.47 -2.12 0.00 0.00 175.29 172.22 1uey s TYR 109 N 5.15 3.19 -0.29 0.91 6.14 -1.24 -4.83 117.35 126.37 1uey s TYR 109 Ca 0.34 1.12 0.03 0.00 0.64 0.00 0.00 57.07 59.21 1uey s TYR 109 Cb -0.08 -3.51 0.08 0.00 0.42 0.00 0.00 41.96 38.86 1uey s TYR 109 CO 0.09 -0.68 -0.04 -1.17 0.64 0.00 0.00 175.55 174.39 1uey s LEU 110 N 3.41 3.95 1.25 6.97 2.96 -1.26 -4.26 118.68 131.70 1uey s LEU 110 Ca 0.42 -1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.46 1uey s LEU 110 Cb -0.13 -1.56 0.30 0.00 0.50 0.00 0.00 46.19 45.31 1uey s LEU 110 CO 0.13 -0.27 0.88 0.35 -1.32 0.00 0.00 176.35 176.13 1uey n THR 111 N 4.37 0.00 -1.68 3.68 -2.24 -1.26 -4.79 114.28 112.36 1uey n THR 111 Ca -0.06 -0.38 -0.44 0.00 -2.27 0.00 0.00 64.05 60.89 1uey n THR 111 Cb 0.42 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 1uey n THR 111 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uey n LYS 112 N -4.92 2.10 -2.81 -0.78 4.76 -1.26 -4.64 118.16 110.62 1uey n LYS 112 Ca 0.04 0.75 -0.11 0.00 -2.87 0.00 0.00 58.31 56.12 1uey n LYS 112 Cb 0.56 -2.41 0.04 0.00 -1.84 0.00 0.00 35.03 31.37 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uey n ALA 113 N 1.87 2.27 -3.89 7.82 0.00 -1.26 -4.04 120.51 123.27 1uey n ALA 113 Ca 0.11 -2.71 -0.34 0.00 0.00 0.00 0.00 53.44 50.50 1uey n ALA 113 Cb 0.32 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.82 1uey n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uey n SER 114 N -0.03 -3.47 -3.55 0.00 7.64 -1.26 -4.96 113.62 107.99 1uey n SER 114 Ca 0.11 -1.11 -0.11 0.00 1.01 0.00 0.00 58.87 58.77 1uey n SER 114 Cb 0.77 -2.72 -0.04 0.00 -1.01 0.00 0.00 64.21 61.21 1uey n SER 114 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1uey s GLU 115 N -6.61 0.69 -0.04 1.43 -1.05 -1.26 -5.09 118.70 106.77 1uey s GLU 115 Ca 0.35 0.04 -0.07 0.00 -0.15 0.00 0.00 54.97 55.14 1uey s GLU 115 Cb -0.15 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1uey s GLU 115 CO 0.91 -0.24 0.35 -1.00 0.95 0.00 0.00 175.26 176.23 1uey h PRO 116 N 2.45 -0.23 -6.21 -4.83 0.13 -2.03 -3.46 132.00 117.81 1uey h PRO 116 Ca -0.20 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.42 1uey h PRO 116 Cb 1.18 0.05 0.24 0.00 0.13 0.00 0.00 31.00 32.60 1uey h PRO 116 CO 0.32 -0.16 -1.71 -3.47 -0.23 0.00 0.00 178.00 172.75 1uey n ASP 117 N -4.12 -4.39 0.00 1.44 -0.08 -1.26 -4.96 116.55 103.18 1uey n ASP 117 Ca -0.03 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1uey n ASP 117 Cb 0.10 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.74 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 1.28 0.00 -4.22 -0.67 4.76 -1.26 -4.96 118.16 113.09 1uey n LYS 118 Ca -0.00 0.22 -0.17 0.00 -2.87 0.00 0.00 58.31 55.50 1uey n LYS 118 Cb 0.60 -0.69 -0.14 0.00 -1.84 0.00 0.00 35.03 32.95 1uey n LYS 118 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1uey s ASN 119 N -2.08 0.89 -0.65 4.39 3.84 -1.26 -4.70 114.94 115.37 1uey s ASN 119 Ca 0.00 -0.23 -0.27 0.00 0.21 0.00 0.00 52.86 52.57 1uey s ASN 119 Cb 0.00 -0.07 0.01 0.00 -0.55 0.00 0.00 41.25 40.64 1uey s ASN 119 CO 0.00 0.03 1.55 -2.16 -2.79 0.00 0.00 177.10 173.72 1uey s PRO 120 N -0.51 2.99 -0.70 0.43 0.04 -1.26 -4.95 135.00 131.04 1uey s PRO 120 Ca 0.00 0.26 -0.24 0.00 0.04 0.00 0.00 61.00 61.07 1uey s PRO 120 Cb -0.04 -4.25 0.06 0.00 0.04 0.00 0.00 34.50 30.30 1uey s PRO 120 CO 0.00 -2.34 1.08 0.99 0.04 0.00 0.00 177.00 176.77 1uey s THR 121 N 7.15 4.15 0.05 1.26 2.01 -1.26 -5.01 115.64 123.99 1uey s THR 121 Ca 0.52 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1uey s THR 121 Cb -0.11 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 1uey s THR 121 CO 0.19 -1.59 0.11 -0.44 -0.69 0.00 0.00 174.62 172.20 1uey s SER 122 N 3.73 5.79 0.00 3.53 0.01 -1.26 -5.01 113.70 120.49 1uey s SER 122 Ca 0.27 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1uey s SER 122 Cb -0.13 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1uey s SER 122 CO 0.10 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1uey n GLY 123 N 0.66 1.01 3.70 3.44 0.00 -1.26 -4.95 105.19 107.80 1uey n GLY 123 Ca -0.09 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.02 4.40 -0.47 1.61 0.04 -1.26 -5.00 135.00 131.31 1uey s PRO 124 Ca 0.00 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1uey s PRO 124 Cb 0.00 -3.45 0.12 0.00 0.04 0.00 0.00 34.50 31.21 1uey s PRO 124 CO 0.00 -0.33 0.34 -1.12 0.04 0.00 0.00 177.00 175.92 1uey s SER 125 N 1.26 5.67 0.17 6.66 0.01 -1.26 -5.07 113.70 121.14 1uey s SER 125 Ca 0.57 -1.91 -0.13 0.00 1.31 0.00 0.00 55.95 55.79 1uey s SER 125 Cb -0.27 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 1uey s SER 125 CO 0.26 -0.68 0.54 -0.44 0.41 0.00 0.00 173.24 173.33 1uey s SER 126 N 2.61 6.75 0.00 2.44 0.01 -1.26 -5.28 113.70 118.97 1uey s SER 126 Ca 0.06 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1uey s SER 126 Cb -0.26 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1uey s SER 126 CO -0.01 0.06 0.26 0.61 0.41 0.00 0.00 173.24 174.57