#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey s SER 2 N 0.00 -0.66 0.18 1.61 0.01 -1.26 -5.18 113.70 108.41 1uey s SER 2 Ca 0.00 0.95 -0.23 0.00 1.31 0.00 0.00 55.95 57.98 1uey s SER 2 Cb 0.00 0.85 0.06 0.00 0.21 0.00 0.00 66.02 67.14 1uey s SER 2 CO 0.00 -0.44 0.63 -0.94 0.41 0.00 0.00 173.24 172.90 1uey s SER 3 N -0.58 -0.50 0.00 2.44 1.04 -1.26 -5.17 113.70 109.67 1uey s SER 3 Ca -0.06 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1uey s SER 3 Cb -0.02 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1uey s SER 3 CO 0.05 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1uey n GLY 4 N -0.39 1.68 3.15 7.32 0.00 -1.26 -5.14 105.19 110.54 1uey n GLY 4 Ca -0.14 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.91 1uey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uey s SER 5 N 0.50 -1.01 0.01 1.61 0.15 -1.26 -5.16 113.70 108.54 1uey s SER 5 Ca 0.00 0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.65 1uey s SER 5 Cb 0.00 1.63 0.01 0.00 -1.71 0.00 0.00 66.02 65.95 1uey s SER 5 CO 0.00 -0.18 0.20 -0.44 1.20 0.00 0.00 173.24 174.01 1uey s SER 6 N 2.87 -0.02 -0.27 5.45 0.01 -1.26 -5.14 113.70 115.34 1uey s SER 6 Ca 0.19 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.15 1uey s SER 6 Cb -0.06 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1uey s SER 6 CO -0.24 -0.46 0.13 -0.83 0.41 0.00 0.00 173.24 172.25 1uey s GLY 7 N -1.65 1.84 -0.86 3.44 0.00 -1.26 -4.98 107.32 103.85 1uey s GLY 7 Ca -0.11 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.36 1uey s GLY 7 CO 0.00 0.61 2.58 -1.55 0.00 0.00 0.00 173.10 174.74 1uey n PRO 8 N 4.98 2.40 -0.05 2.90 -0.04 -1.26 -4.41 135.00 139.53 1uey n PRO 8 Ca -0.15 -1.47 -0.13 0.00 -0.04 0.00 0.00 63.50 61.71 1uey n PRO 8 Cb 0.51 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 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 2.96 1.57 0.18 0.52 2.02 -1.97 -3.39 112.91 114.80 1uey h THR 9 Ca 0.51 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1uey h THR 9 Cb 0.48 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1uey h THR 9 CO 1.21 0.48 -0.09 1.55 0.37 0.00 0.00 175.52 179.04 1uey h PRO 10 N -0.84 -0.24 -5.25 6.66 0.13 -2.05 -3.46 132.00 126.95 1uey h PRO 10 Ca -0.00 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.66 1uey h PRO 10 Cb 0.79 0.05 -0.29 0.00 0.13 0.00 0.00 31.00 31.68 1uey h PRO 10 CO 0.00 0.06 -0.81 0.00 -0.23 0.00 0.00 178.00 177.02 1uey s ALA 11 N -3.37 1.17 1.00 -0.56 0.00 -1.26 -5.15 121.76 113.59 1uey s ALA 11 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1uey s ALA 11 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1uey s ALA 11 CO 0.31 0.28 0.00 -0.35 0.00 0.00 0.00 175.76 176.00 1uey n PRO 12 N 2.78 -0.06 -3.86 0.00 -0.04 -1.26 -4.43 135.00 128.12 1uey n PRO 12 Ca -0.15 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.05 1uey n PRO 12 Cb 0.55 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.84 1uey n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uey s VAL 13 N -0.71 0.90 0.00 0.52 0.11 -1.26 -5.00 120.40 114.96 1uey s VAL 13 Ca 0.00 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1uey s VAL 13 Cb 0.00 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1uey s VAL 13 CO 0.00 0.23 0.00 -1.22 -3.33 0.00 0.00 175.10 170.78 1uey n TYR 14 N 4.97 -1.47 0.00 1.54 4.01 -1.26 -4.61 117.16 120.34 1uey n TYR 14 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1uey n TYR 14 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.37 0.00 -0.99 7.72 8.00 -1.26 -5.04 116.55 123.61 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 -0.39 -2.42 2.53 0.24 -1.26 -4.59 118.33 112.44 1uey n VAL 16 Ca 0.00 0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 62.32 1uey n VAL 16 Cb 0.00 -0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 31.65 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 -4.35 4.25 1.01 7.34 0.04 -1.25 -4.54 135.00 137.50 1uey s PRO 17 Ca 0.00 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 1uey s PRO 17 Cb 0.00 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 1uey s PRO 17 CO 0.00 -0.67 -0.51 0.09 0.04 0.00 0.00 177.00 175.95 1uey n ASN 18 N 6.39 -3.55 -4.80 6.66 5.03 -0.85 -4.44 115.26 119.70 1uey n ASN 18 Ca 0.14 0.11 -0.34 0.00 0.87 0.00 0.00 54.58 55.36 1uey n ASN 18 Cb 0.45 -0.85 -0.02 0.00 -1.02 0.00 0.00 39.78 38.33 1uey n ASN 18 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1uey s PRO 19 N -2.72 3.70 0.99 3.52 0.04 -1.26 -4.39 135.00 134.87 1uey s PRO 19 Ca 0.47 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1uey s PRO 19 Cb -0.11 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.54 1uey s PRO 19 CO 0.71 -0.51 1.17 -1.25 0.04 0.00 0.00 177.00 177.17 1uey s PRO 20 N -3.44 0.48 0.25 0.56 0.04 -1.26 -3.90 135.00 127.72 1uey s PRO 20 Ca 0.66 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1uey s PRO 20 Cb -0.16 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1uey s PRO 20 CO 0.24 -2.59 0.47 -0.59 0.04 0.00 0.00 177.00 174.56 1uey s PHE 21 N -3.36 0.40 -1.16 0.56 -0.12 -0.43 -4.42 117.98 109.45 1uey s PHE 21 Ca 0.68 -0.76 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1uey s PHE 21 Cb -0.11 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.44 1uey s PHE 21 CO 0.54 -0.99 0.00 -3.47 -0.05 0.00 0.00 175.22 171.25 1uey n ASP 22 N -0.41 -4.55 -4.61 1.98 2.03 -1.26 -3.12 116.55 106.62 1uey n ASP 22 Ca -0.01 0.27 -0.50 0.00 0.52 0.00 0.00 54.79 55.07 1uey n ASP 22 Cb 0.62 -3.01 -0.05 0.00 -0.72 0.00 0.00 41.12 37.96 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 -1.25 2.02 -3.87 -2.67 4.32 -1.26 -4.85 117.00 109.45 1uey n LEU 23 Ca -0.11 1.12 -0.09 0.00 -0.02 0.00 0.00 56.01 56.91 1uey n LEU 23 Cb 0.40 -1.26 -0.08 0.00 -1.62 0.00 0.00 43.42 40.86 1uey n LEU 23 CO 0.17 -0.88 -0.11 -1.61 -1.22 0.00 0.00 177.39 173.73 1uey s GLU 24 N 0.42 0.81 -0.22 3.23 8.01 -0.97 -4.60 118.70 125.38 1uey s GLU 24 Ca 0.81 -0.93 0.01 0.00 0.01 0.00 0.00 54.97 54.87 1uey s GLU 24 Cb -0.86 0.33 0.05 0.00 -4.31 0.00 0.00 34.13 29.33 1uey s GLU 24 CO 0.46 -0.25 -0.09 -0.51 0.01 0.00 0.00 175.26 174.88 1uey s LEU 25 N -2.76 2.57 -0.09 1.80 1.43 -1.26 -2.47 118.68 117.91 1uey s LEU 25 Ca 0.04 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 52.00 1uey s LEU 25 Cb 0.04 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 45.02 1uey s LEU 25 CO -0.10 -0.18 0.22 0.42 0.23 0.00 0.00 176.35 176.94 1uey s THR 26 N 1.34 -0.01 0.00 5.49 -4.23 -0.99 -5.04 115.64 112.20 1uey s THR 26 Ca -0.04 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1uey s THR 26 Cb -0.18 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1uey s THR 26 CO -0.07 0.02 0.00 -0.90 -0.54 0.00 0.00 174.62 173.13 1uey n ASP 27 N 3.39 0.00 0.00 3.99 5.75 -1.26 -3.21 116.55 125.20 1uey n ASP 27 Ca -0.17 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1uey n ASP 27 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.00 -2.81 0.11 6.02 -1.26 -5.00 117.38 114.44 1uey n GLN 28 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1uey n GLN 28 Cb 0.00 -0.12 -0.03 0.00 1.02 0.00 0.00 30.24 31.11 1uey n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1uey s LEU 29 N -4.36 4.33 -0.83 1.08 2.96 -1.26 -4.97 118.68 115.62 1uey s LEU 29 Ca 0.00 1.48 -0.25 0.00 -0.22 0.00 0.00 54.13 55.14 1uey s LEU 29 Cb 0.00 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.30 1uey s LEU 29 CO 0.00 -0.26 1.47 -0.62 -1.32 0.00 0.00 176.35 175.62 1uey s ASP 30 N 0.98 6.07 0.00 3.68 -1.08 -1.26 -3.58 116.67 121.48 1uey s ASP 30 Ca 0.47 -0.71 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1uey s ASP 30 Cb -0.19 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1uey s ASP 30 CO 0.23 -1.88 0.00 1.17 0.52 0.00 0.00 175.17 175.21 1uey n LYS 31 N 9.14 0.00 -3.78 4.34 0.00 -1.26 -5.10 118.16 121.50 1uey n LYS 31 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.25 1uey n LYS 31 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.36 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 0.00 2.05 0.11 3.14 0.01 -1.23 -4.51 113.70 113.27 1uey s SER 32 Ca 0.00 -0.33 -0.23 0.00 1.31 0.00 0.00 55.95 56.70 1uey s SER 32 Cb 0.00 -0.54 -0.07 0.00 0.21 0.00 0.00 66.02 65.62 1uey s SER 32 CO 0.00 -0.22 0.69 0.54 0.41 0.00 0.00 173.24 174.67 1uey s VAL 33 N 1.90 4.57 -0.10 3.43 0.11 -0.07 -4.71 120.40 125.54 1uey s VAL 33 Ca 0.03 1.50 -0.18 0.00 -2.93 0.00 0.00 61.98 60.40 1uey s VAL 33 Cb -0.14 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1uey s VAL 33 CO -0.06 0.51 0.48 -1.58 -3.33 0.00 0.00 175.10 171.12 1uey s GLN 34 N -0.93 4.30 -0.34 1.54 0.74 -1.20 0.19 119.66 123.97 1uey s GLN 34 Ca 0.33 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 56.14 1uey s GLN 34 Cb -0.21 -3.41 0.03 0.00 1.10 0.00 0.00 33.01 30.52 1uey s GLN 34 CO 0.23 0.23 0.13 -1.17 -0.55 0.00 0.00 175.29 174.16 1uey s LEU 35 N 0.39 4.31 -0.25 3.68 2.96 0.86 -2.35 118.68 128.28 1uey s LEU 35 Ca 0.26 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 53.07 1uey s LEU 35 Cb -0.16 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1uey s LEU 35 CO 0.11 -0.31 0.34 -0.44 -1.32 0.00 0.00 176.35 174.73 1uey s SER 36 N 1.48 6.26 0.24 3.68 0.01 -1.03 -2.66 113.70 121.68 1uey s SER 36 Ca 0.01 0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.63 1uey s SER 36 Cb -0.19 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1uey s SER 36 CO 0.04 -0.11 -0.09 -1.66 0.41 0.00 0.00 173.24 171.83 1uey s TRP 37 N 1.72 1.81 -0.20 2.43 -2.14 -0.59 -2.28 118.94 119.69 1uey s TRP 37 Ca 0.14 -0.67 -0.01 0.00 2.66 0.00 0.00 56.10 58.23 1uey s TRP 37 Cb -0.15 -0.96 0.05 0.00 -3.10 0.00 0.00 33.47 29.31 1uey s TRP 37 CO 0.09 0.28 -0.03 0.99 -2.66 0.00 0.00 176.95 175.61 1uey s THR 38 N -3.04 1.15 -0.36 0.66 2.01 -1.18 -4.78 115.64 110.10 1uey s THR 38 Ca 0.26 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1uey s THR 38 Cb 0.02 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.09 1uey s THR 38 CO 0.09 -0.05 1.38 -2.16 -0.69 0.00 0.00 174.62 173.20 1uey s PRO 39 N 1.58 3.72 0.00 4.92 0.04 -1.26 -1.32 135.00 142.68 1uey s PRO 39 Ca -0.02 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1uey s PRO 39 Cb -0.17 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1uey s PRO 39 CO -0.07 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1uey n GLY 40 N 4.76 -1.97 3.38 0.56 0.00 -1.25 -4.92 105.19 105.74 1uey n GLY 40 Ca 0.16 -1.13 -0.34 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 -2.40 -0.00 1.61 8.00 -1.26 -4.78 116.55 117.71 1uey n ASP 41 Ca 0.00 0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.91 1uey n ASP 41 Cb 0.00 -1.16 -0.07 0.00 -0.02 0.00 0.00 41.12 39.87 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 -0.57 2.02 -3.03 -2.24 8.00 -1.26 -2.01 116.55 117.45 1uey n ASP 42 Ca 0.06 -0.22 -0.02 0.00 0.71 0.00 0.00 54.79 55.32 1uey n ASP 42 Cb 0.53 1.33 0.01 0.00 -0.02 0.00 0.00 41.12 42.97 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 -1.67 -7.40 0.00 -2.24 5.03 -1.26 -3.27 115.26 104.45 1uey n ASN 43 Ca -0.01 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.28 1uey n ASN 43 Cb 0.23 -5.13 0.00 0.00 -1.02 0.00 0.00 39.78 33.86 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -1.97 0.00 -4.64 6.41 3.02 -1.26 -4.18 115.26 112.64 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 39.66 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 6.66 0.55 6.41 0.15 -1.20 -4.99 113.70 121.28 1uey s SER 45 Ca 0.00 1.66 -0.17 0.00 0.70 0.00 0.00 55.95 58.14 1uey s SER 45 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1uey s SER 45 CO 0.00 -1.01 1.04 -2.16 1.20 0.00 0.00 173.24 172.31 1uey s PRO 46 N 4.10 3.53 0.46 5.44 0.04 -1.26 -4.55 135.00 142.76 1uey s PRO 46 Ca 0.63 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1uey s PRO 46 Cb -0.24 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1uey s PRO 46 CO 0.23 -0.64 1.27 0.42 0.04 0.00 0.00 177.00 178.33 1uey s ILE 47 N -2.32 2.62 0.00 0.56 -1.09 -1.26 -4.44 121.20 115.27 1uey s ILE 47 Ca 0.64 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1uey s ILE 47 Cb -0.16 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1uey s ILE 47 CO 0.31 0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.40 1uey n THR 48 N -0.41 0.00 -3.94 2.92 -2.24 -0.52 -4.63 114.28 105.46 1uey n THR 48 Ca 0.07 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1uey n THR 48 Cb 0.45 -0.62 -0.08 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 -1.77 0.80 -0.23 -0.78 2.20 -0.66 0.20 119.74 119.49 1uey s LYS 49 Ca 0.00 -1.06 -0.03 0.00 -0.36 0.00 0.00 55.97 54.52 1uey s LYS 49 Cb 0.00 0.30 0.08 0.00 -1.51 0.00 0.00 37.83 36.70 1uey s LYS 49 CO 0.00 -0.23 0.08 -0.06 -0.36 0.00 0.00 175.35 174.78 1uey s PHE 50 N -3.89 0.88 0.32 4.03 0.08 0.02 -1.30 117.98 118.12 1uey s PHE 50 Ca 0.07 -0.95 -0.09 0.00 0.12 0.00 0.00 56.93 56.08 1uey s PHE 50 Cb 0.06 -1.08 -0.06 0.00 -0.57 0.00 0.00 43.02 41.36 1uey s PHE 50 CO -0.10 -0.69 0.65 0.42 -0.10 0.00 0.00 175.22 175.40 1uey s ILE 51 N 1.91 4.88 0.21 0.64 1.01 -0.24 -0.47 121.20 129.13 1uey s ILE 51 Ca 0.04 0.44 0.08 0.00 0.00 0.00 0.00 60.65 61.20 1uey s ILE 51 Cb -0.17 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1uey s ILE 51 CO -0.18 -0.33 -0.13 -0.63 0.00 0.00 0.00 174.94 173.67 1uey s ILE 52 N -2.12 1.73 0.13 2.92 1.09 0.26 0.18 121.20 125.38 1uey s ILE 52 Ca 0.48 -2.20 -0.18 0.00 -1.10 0.00 0.00 60.65 57.65 1uey s ILE 52 Cb -0.11 -2.09 0.04 0.00 -1.06 0.00 0.00 42.46 39.24 1uey s ILE 52 CO 0.27 -0.56 0.44 -1.61 -0.10 0.00 0.00 174.94 173.39 1uey s GLU 53 N -3.65 1.11 0.14 2.79 2.02 -1.19 -2.37 118.70 117.55 1uey s GLU 53 Ca 0.23 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.48 1uey s GLU 53 Cb -0.00 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.72 1uey s GLU 53 CO 0.07 -0.45 0.29 1.52 0.02 0.00 0.00 175.26 176.72 1uey s TYR 54 N -3.76 0.24 -0.01 1.61 -0.85 -1.03 -1.10 117.35 112.45 1uey s TYR 54 Ca 0.02 -0.61 -0.08 0.00 -0.52 0.00 0.00 57.07 55.88 1uey s TYR 54 Cb 0.01 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.36 1uey s TYR 54 CO -0.12 -0.68 0.16 -1.83 -1.52 0.00 0.00 175.55 171.56 1uey s GLU 55 N -3.92 0.48 -0.09 -3.49 4.04 -1.23 -0.30 118.70 114.19 1uey s GLU 55 Ca 0.12 -0.31 -0.18 0.00 0.04 0.00 0.00 54.97 54.64 1uey s GLU 55 Cb 0.03 0.20 -0.05 0.00 0.02 0.00 0.00 34.13 34.34 1uey s GLU 55 CO -0.04 -0.11 0.48 0.34 -1.84 0.00 0.00 175.26 174.09 1uey s ASP 56 N -1.23 6.74 -0.02 0.83 -1.08 -1.24 -1.49 116.67 119.18 1uey s ASP 56 Ca -0.13 0.88 0.17 0.00 -0.52 0.00 0.00 52.55 52.95 1uey s ASP 56 Cb -0.07 -2.29 -0.26 0.00 -1.46 0.00 0.00 42.92 38.84 1uey s ASP 56 CO 0.02 0.06 0.41 0.00 0.52 0.00 0.00 175.17 176.17 1uey n ALA 57 N 3.30 2.77 1.31 3.66 0.00 -0.48 -0.53 120.51 130.55 1uey n ALA 57 Ca -0.08 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.08 1uey n ALA 57 Cb 0.52 -0.59 0.44 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.03 0.93 0.00 0.00 0.00 -1.24 -4.49 117.12 110.29 1uey n MET 58 Ca -0.03 -0.51 0.00 0.00 -0.00 0.00 0.00 57.70 57.17 1uey n MET 58 Cb 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 -0.59 0.00 -3.77 1.12 8.25 -1.26 -5.03 115.22 113.94 1uey n HIS 59 Ca 0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.30 1uey n HIS 59 Cb 0.33 0.12 -0.14 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.50 1.17 0.16 -0.41 3.01 -1.16 -5.09 119.74 116.93 1uey s LYS 60 Ca 0.00 -1.74 -0.30 0.00 -1.01 0.00 0.00 55.97 52.92 1uey s LYS 60 Cb 0.00 -2.39 -0.07 0.00 -1.01 0.00 0.00 37.83 34.36 1uey s LYS 60 CO 0.00 -1.08 1.12 -1.25 0.51 0.00 0.00 175.35 174.65 1uey s PRO 61 N 0.76 4.56 0.00 -1.68 0.04 0.31 -2.98 135.00 136.01 1uey s PRO 61 Ca 0.14 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1uey s PRO 61 Cb -0.22 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1uey s PRO 61 CO -0.08 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.38 1uey n GLY 62 N 2.20 1.88 3.50 0.56 0.00 -1.26 -5.02 105.19 107.05 1uey n GLY 62 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 4.14 -0.03 0.99 2.96 -1.16 -5.01 118.68 120.56 1uey s LEU 63 Ca 0.00 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1uey s LEU 63 Cb 0.00 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1uey s LEU 63 CO 0.00 -1.36 0.31 0.26 -1.32 0.00 0.00 176.35 174.24 1uey s TRP 64 N 4.13 3.66 0.10 5.38 0.52 -1.26 -3.80 118.94 127.67 1uey s TRP 64 Ca 0.27 0.79 0.06 0.00 0.02 0.00 0.00 56.10 57.24 1uey s TRP 64 Cb -0.14 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1uey s TRP 64 CO 0.15 0.66 -0.15 -1.01 0.02 0.00 0.00 176.95 176.63 1uey s HIS 65 N -1.11 1.36 0.12 -1.98 3.76 0.58 -4.93 115.29 113.09 1uey s HIS 65 Ca 0.22 -0.50 -0.31 0.00 -0.15 0.00 0.00 55.06 54.31 1uey s HIS 65 Cb -0.15 -0.73 -0.09 0.00 1.11 0.00 0.00 32.58 32.72 1uey s HIS 65 CO 0.11 0.11 1.56 -1.58 -0.85 0.00 0.00 174.74 174.09 1uey s HIS 66 N -1.69 2.88 0.00 1.40 2.46 -1.26 -2.47 115.29 116.62 1uey s HIS 66 Ca 0.04 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.16 1uey s HIS 66 Cb -0.07 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 1uey s HIS 66 CO 0.03 -3.37 0.00 0.94 -2.47 0.00 0.00 174.74 169.87 1uey n GLN 67 N 4.52 0.00 -3.64 2.88 -0.06 -1.00 -4.93 117.38 115.15 1uey n GLN 67 Ca 0.14 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.10 1uey n GLN 67 Cb 0.40 -0.26 -0.01 0.00 -4.06 0.00 0.00 30.24 26.30 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 -0.67 0.00 0.28 1.69 -1.32 -1.24 -5.00 115.64 109.38 1uey s THR 68 Ca 0.00 -0.34 0.02 0.00 -1.21 0.00 0.00 61.69 60.16 1uey s THR 68 Cb 0.00 -1.62 -0.05 0.00 -1.51 0.00 0.00 72.50 69.32 1uey s THR 68 CO 0.00 0.00 0.10 -1.83 -2.21 0.00 0.00 174.62 170.68 1uey s GLU 69 N -3.00 1.50 0.22 7.08 4.04 -1.26 0.92 118.70 128.19 1uey s GLU 69 Ca 0.10 -1.83 0.00 0.00 0.04 0.00 0.00 54.97 53.29 1uey s GLU 69 Cb -0.00 -0.39 -0.00 0.00 0.02 0.00 0.00 34.13 33.76 1uey s GLU 69 CO -0.03 -0.29 0.28 1.33 -1.84 0.00 0.00 175.26 174.71 1uey n VAL 70 N -0.54 0.00 -1.33 1.83 0.24 0.37 -4.94 118.33 113.96 1uey n VAL 70 Ca -0.01 -1.24 -0.29 0.00 -2.04 0.00 0.00 64.34 60.77 1uey n VAL 70 Cb 0.66 0.71 0.15 0.00 -1.47 0.00 0.00 33.84 33.90 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 -2.40 3.10 -0.18 -1.34 0.15 -1.26 -0.80 113.70 110.96 1uey s SER 71 Ca 0.20 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.01 1uey s SER 71 Cb -0.00 -1.76 0.36 0.00 -1.71 0.00 0.00 66.02 62.91 1uey s SER 71 CO 0.14 -2.82 1.33 0.61 1.20 0.00 0.00 173.24 173.70 1uey n GLY 72 N -1.57 2.86 0.09 9.45 0.00 0.54 -3.79 105.19 112.76 1uey n GLY 72 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1uey n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uey n THR 73 N -0.08 0.00 -2.11 2.61 -1.04 -1.26 -4.54 114.28 107.86 1uey n THR 73 Ca 0.24 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.94 1uey n THR 73 Cb 0.95 -0.57 -0.00 0.00 -1.82 0.00 0.00 70.33 68.88 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uey s GLN 74 N -1.97 3.67 -0.03 -2.82 -2.07 -1.25 -4.99 119.66 110.20 1uey s GLN 74 Ca 0.00 0.72 0.05 0.00 -1.82 0.00 0.00 55.36 54.31 1uey s GLN 74 Cb 0.00 -2.14 0.09 0.00 -1.09 0.00 0.00 33.01 29.87 1uey s GLN 74 CO 0.00 -0.44 1.04 0.25 -1.32 0.00 0.00 175.29 174.82 1uey n THR 75 N -2.39 0.35 -3.72 3.63 -2.24 -1.26 -4.84 114.28 103.80 1uey n THR 75 Ca 0.05 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1uey n THR 75 Cb 0.54 0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.53 -0.08 0.04 4.28 -4.23 -1.26 -1.54 115.64 112.32 1uey s THR 76 Ca 0.08 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1uey s THR 76 Cb 0.08 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 1uey s THR 76 CO -0.01 0.07 -0.06 0.00 -0.54 0.00 0.00 174.62 174.08 1uey s ALA 77 N 1.39 0.46 0.12 3.99 0.00 -1.09 -4.93 121.76 121.70 1uey s ALA 77 Ca -0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 1uey s ALA 77 Cb -0.11 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 1uey s ALA 77 CO -0.08 -0.10 0.75 -0.65 0.00 0.00 0.00 175.76 175.67 1uey s GLN 78 N -1.87 4.50 -0.08 0.00 -0.21 -1.26 -0.10 119.66 120.65 1uey s GLN 78 Ca -0.09 1.08 0.05 0.00 0.02 0.00 0.00 55.36 56.41 1uey s GLN 78 Cb -0.08 -3.29 -0.00 0.00 1.00 0.00 0.00 33.01 30.64 1uey s GLN 78 CO -0.01 0.49 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.91 1uey s LEU 79 N -0.79 2.04 -0.41 2.90 1.43 0.50 -4.90 118.68 119.45 1uey s LEU 79 Ca 0.36 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 1uey s LEU 79 Cb -0.22 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1uey s LEU 79 CO 0.24 0.18 0.41 0.21 0.23 0.00 0.00 176.35 177.63 1uey s ASN 80 N 0.13 6.19 0.15 2.29 3.84 -1.26 -0.90 114.94 125.39 1uey s ASN 80 Ca -0.11 -0.61 0.06 0.00 0.21 0.00 0.00 52.86 52.40 1uey s ASN 80 Cb -0.16 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1uey s ASN 80 CO 0.06 -0.52 0.07 -0.76 -2.79 0.00 0.00 177.10 173.15 1uey s LEU 81 N 2.08 3.59 0.30 3.21 1.43 -1.26 -5.06 118.68 122.96 1uey s LEU 81 Ca 0.11 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1uey s LEU 81 Cb -0.17 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1uey s LEU 81 CO 0.13 0.09 -0.13 -0.44 0.23 0.00 0.00 176.35 176.23 1uey s SER 82 N -2.92 3.81 0.26 2.29 0.01 -1.26 -5.04 113.70 110.85 1uey s SER 82 Ca 0.29 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.24 1uey s SER 82 Cb -0.10 -0.41 -0.09 0.00 0.21 0.00 0.00 66.02 65.63 1uey s SER 82 CO 0.21 -0.04 1.09 -2.16 0.41 0.00 0.00 173.24 172.74 1uey s PRO 83 N -3.57 4.66 -0.48 12.44 0.04 -1.26 -3.79 135.00 143.03 1uey s PRO 83 Ca 0.31 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 1uey s PRO 83 Cb -0.03 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1uey s PRO 83 CO 0.16 0.23 0.40 0.66 0.04 0.00 0.00 177.00 178.49 1uey n TYR 84 N 1.35 -0.88 -3.54 0.56 4.01 -1.24 -5.03 117.16 112.38 1uey n TYR 84 Ca -0.01 0.38 -0.07 0.00 -0.16 0.00 0.00 57.90 58.04 1uey n TYR 84 Cb 0.45 -3.24 -0.08 0.00 -0.31 0.00 0.00 39.34 36.16 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 -3.15 -0.69 -0.17 -0.72 1.01 -1.25 -5.11 120.40 110.33 1uey s VAL 85 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1uey s VAL 85 Cb -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1uey s VAL 85 CO 0.29 0.01 -0.02 0.21 0.00 0.00 0.00 175.10 175.60 1uey s ASN 86 N 2.63 4.91 0.16 3.32 3.04 -1.26 -4.21 114.94 123.53 1uey s ASN 86 Ca 0.03 -0.11 -0.25 0.00 0.04 0.00 0.00 52.86 52.57 1uey s ASN 86 Cb -0.13 -1.81 0.06 0.00 -1.54 0.00 0.00 41.25 37.83 1uey s ASN 86 CO -0.15 0.15 0.96 -0.72 -3.04 0.00 0.00 177.10 174.31 1uey s TYR 87 N 0.47 -0.11 0.54 0.43 -0.85 -1.25 -1.38 117.35 115.20 1uey s TYR 87 Ca -0.02 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1uey s TYR 87 Cb -0.14 0.65 0.06 0.00 0.38 0.00 0.00 41.96 42.91 1uey s TYR 87 CO 0.02 -0.85 0.47 0.43 -1.52 0.00 0.00 175.55 174.10 1uey n SER 88 N -0.55 2.60 -3.68 -0.18 7.64 -0.56 -2.81 113.62 116.08 1uey n SER 88 Ca -0.06 -2.79 -0.12 0.00 1.01 0.00 0.00 58.87 56.92 1uey n SER 88 Cb 0.61 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.57 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1uey s PHE 89 N -2.65 -0.51 0.49 1.43 0.40 -1.26 -3.51 117.98 112.37 1uey s PHE 89 Ca 0.36 1.09 0.04 0.00 -0.60 0.00 0.00 56.93 57.82 1uey s PHE 89 Cb -0.03 0.10 -0.02 0.00 0.51 0.00 0.00 43.02 43.58 1uey s PHE 89 CO 0.23 -0.35 0.11 -0.98 0.70 0.00 0.00 175.22 174.93 1uey s ARG 90 N 2.06 2.18 -0.02 0.44 1.70 -0.26 -2.60 118.95 122.45 1uey s ARG 90 Ca -0.03 -2.19 0.01 0.00 -0.47 0.00 0.00 55.73 53.04 1uey s ARG 90 Cb -0.11 -1.73 0.01 0.00 -0.57 0.00 0.00 34.95 32.55 1uey s ARG 90 CO -0.10 -0.33 -0.02 0.08 -1.08 0.00 0.00 175.30 173.86 1uey s VAL 91 N -2.79 0.23 0.15 4.99 1.01 -1.26 -3.19 120.40 119.54 1uey s VAL 91 Ca 0.21 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1uey s VAL 91 Cb 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1uey s VAL 91 CO 0.12 0.12 -0.21 -0.04 0.00 0.00 0.00 175.10 175.09 1uey s MET 92 N 0.56 1.66 -0.04 2.72 -1.94 0.47 -1.75 119.30 120.98 1uey s MET 92 Ca -0.06 -1.33 0.06 0.00 -1.71 0.00 0.00 55.69 52.66 1uey s MET 92 Cb -0.09 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 34.74 1uey s MET 92 CO -0.01 0.44 -0.22 0.00 -0.01 0.00 0.00 175.02 175.22 1uey s ALA 93 N -1.34 2.31 -0.04 3.03 0.00 -1.26 -1.08 121.76 123.37 1uey s ALA 93 Ca 0.19 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1uey s ALA 93 Cb -0.09 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1uey s ALA 93 CO 0.10 0.50 -0.06 0.08 0.00 0.00 0.00 175.76 176.38 1uey s VAL 94 N -0.49 0.60 0.00 0.00 1.01 -0.42 -0.65 120.40 120.45 1uey s VAL 94 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1uey s VAL 94 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1uey s VAL 94 CO 0.01 0.23 0.00 -0.46 0.00 0.00 0.00 175.10 174.88 1uey n ASN 95 N 3.85 0.74 -0.27 3.32 0.23 -0.77 -1.44 115.26 120.91 1uey n ASN 95 Ca -0.24 -0.73 0.09 0.00 -0.53 0.00 0.00 54.58 53.17 1uey n ASN 95 Cb 0.52 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.45 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 0.13 0.00 0.53 0.02 -1.92 -3.05 113.55 109.26 1uey h SER 96 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1uey h SER 96 Cb 0.00 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1uey h SER 96 CO 0.00 -0.02 0.00 -0.38 -1.14 0.00 0.00 176.83 175.29 1uey n ILE 97 N -5.12 0.00 -2.16 3.27 2.08 -1.26 -5.04 119.36 111.13 1uey n ILE 97 Ca 0.17 0.87 0.00 0.00 0.56 0.00 0.00 62.75 64.35 1uey n ILE 97 Cb 0.53 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 1uey n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uey n GLY 98 N -0.40 2.19 3.79 7.39 0.00 -1.15 -5.02 105.19 112.00 1uey n GLY 98 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 1.23 3.97 0.80 1.61 2.20 -1.26 -1.85 119.74 126.43 1uey s LYS 99 Ca 0.00 0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.66 1uey s LYS 99 Cb 0.00 -3.32 0.14 0.00 -1.51 0.00 0.00 37.83 33.15 1uey s LYS 99 CO 0.00 0.49 1.11 -1.54 -0.36 0.00 0.00 175.35 175.05 1uey s SER 100 N -0.30 3.98 0.88 1.43 1.04 0.17 -4.97 113.70 115.94 1uey s SER 100 Ca 0.18 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 1uey s SER 100 Cb -0.14 -0.25 0.12 0.00 0.10 0.00 0.00 66.02 65.85 1uey s SER 100 CO 0.06 -2.13 1.11 -0.76 0.98 0.00 0.00 173.24 172.50 1uey s LEU 101 N -5.41 2.63 0.37 2.42 1.43 -1.26 -4.61 118.68 114.24 1uey s LEU 101 Ca 0.68 1.87 -0.26 0.00 -1.03 0.00 0.00 54.13 55.39 1uey s LEU 101 Cb -0.05 -4.33 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 1uey s LEU 101 CO 0.47 -2.73 1.06 -2.16 0.23 0.00 0.00 176.35 173.22 1uey s PRO 102 N -4.78 4.30 0.83 1.29 0.04 -1.26 -4.62 135.00 130.79 1uey s PRO 102 Ca 0.64 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 1uey s PRO 102 Cb -0.20 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1uey s PRO 102 CO 0.58 -0.04 0.44 -1.13 0.04 0.00 0.00 177.00 176.89 1uey n SER 103 N 0.28 -1.69 0.00 6.66 3.41 -0.71 -4.88 113.62 116.70 1uey n SER 103 Ca 0.03 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1uey n SER 103 Cb 0.48 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -1.05 0.00 0.00 4.33 -0.58 -1.26 -4.74 120.64 117.34 1uey n GLU 104 Ca 0.08 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1uey n GLU 104 Cb 0.52 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uey n ALA 105 N -1.54 0.00 -0.74 0.62 0.00 -1.26 -5.04 120.51 112.55 1uey n ALA 105 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1uey n ALA 105 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1uey n ALA 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uey s SER 106 N 0.00 2.69 0.58 0.00 1.04 -1.07 -4.91 113.70 112.03 1uey s SER 106 Ca 0.00 1.99 -0.18 0.00 0.48 0.00 0.00 55.95 58.25 1uey s SER 106 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 1uey s SER 106 CO 0.00 -3.21 0.56 -1.84 0.98 0.00 0.00 173.24 169.72 1uey n GLU 107 N -4.30 0.52 -2.58 4.02 0.28 -1.26 -4.35 120.64 112.97 1uey n GLU 107 Ca 0.10 0.21 -0.41 0.00 -0.16 0.00 0.00 57.16 56.89 1uey n GLU 107 Cb 0.53 -1.74 -0.03 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.18 3.26 -0.14 3.44 -0.21 -1.26 -4.49 119.66 118.08 1uey s GLN 108 Ca 0.69 -0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.61 1uey s GLN 108 Cb -0.44 -4.14 -0.01 0.00 1.00 0.00 0.00 33.01 29.42 1uey s GLN 108 CO 0.54 -2.01 1.08 -0.47 -2.12 0.00 0.00 175.29 172.30 1uey s TYR 109 N 5.44 3.34 -0.21 0.91 6.14 -1.12 -4.91 117.35 126.93 1uey s TYR 109 Ca 0.36 1.43 0.01 0.00 0.64 0.00 0.00 57.07 59.51 1uey s TYR 109 Cb -0.08 -3.29 0.05 0.00 0.42 0.00 0.00 41.96 39.06 1uey s TYR 109 CO 0.17 -0.64 -0.09 -1.17 0.64 0.00 0.00 175.55 174.46 1uey s LEU 110 N 2.54 2.45 0.93 6.97 0.20 -1.26 -3.86 118.68 126.65 1uey s LEU 110 Ca 0.49 -1.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.19 1uey s LEU 110 Cb -0.19 -1.24 0.15 0.00 -0.43 0.00 0.00 46.19 44.48 1uey s LEU 110 CO 0.15 -0.17 1.09 0.42 -0.29 0.00 0.00 176.35 177.54 1uey s THR 111 N 1.37 2.52 0.21 3.68 -4.23 -1.26 -4.89 115.64 113.05 1uey s THR 111 Ca -0.03 0.17 -0.32 0.00 -1.18 0.00 0.00 61.69 60.33 1uey s THR 111 Cb -0.17 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 70.96 1uey s THR 111 CO -0.07 -0.22 1.37 0.29 -0.54 0.00 0.00 174.62 175.45 1uey n LYS 112 N -4.04 1.84 -2.74 3.99 4.76 -1.26 -4.46 118.16 116.25 1uey n LYS 112 Ca 0.07 0.65 -0.12 0.00 -2.87 0.00 0.00 58.31 56.04 1uey n LYS 112 Cb 0.55 -2.29 0.02 0.00 -1.84 0.00 0.00 35.03 31.47 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 1.97 3.33 -4.27 7.82 0.00 -1.26 -3.69 120.51 124.41 1uey n ALA 113 Ca 0.13 -3.31 -0.33 0.00 0.00 0.00 0.00 53.44 49.93 1uey n ALA 113 Cb 0.29 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.04 0.09 -3.58 0.00 7.64 -1.26 -4.92 113.62 111.56 1uey n SER 114 Ca 0.15 -1.27 -0.17 0.00 1.01 0.00 0.00 58.87 58.59 1uey n SER 114 Cb 0.77 -1.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 1uey n SER 114 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1uey s GLU 115 N -7.37 0.97 -0.07 1.43 2.12 -1.26 -5.08 118.70 109.44 1uey s GLU 115 Ca 0.08 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 1uey s GLU 115 Cb -0.04 0.45 -0.17 0.00 0.26 0.00 0.00 34.13 34.62 1uey s GLU 115 CO 0.99 -0.29 0.81 -1.00 -0.54 0.00 0.00 175.26 175.23 1uey h PRO 116 N 3.27 -0.11 -6.15 4.30 0.13 -2.04 -3.46 132.00 127.94 1uey h PRO 116 Ca -0.28 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 1uey h PRO 116 Cb 1.15 0.02 0.24 0.00 0.13 0.00 0.00 31.00 32.54 1uey h PRO 116 CO 0.38 0.43 -1.87 -0.25 -0.23 0.00 0.00 178.00 176.46 1uey n ASP 117 N -4.82 -4.48 -3.58 1.44 9.92 -1.26 -4.96 116.55 108.80 1uey n ASP 117 Ca -0.08 0.13 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 1uey n ASP 117 Cb 0.29 -0.77 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 1uey n ASP 117 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1uey s LYS 118 N -2.32 0.75 -0.01 -1.24 2.20 -1.26 -4.99 119.74 112.87 1uey s LYS 118 Ca 0.42 -1.41 -0.01 0.00 -0.36 0.00 0.00 55.97 54.61 1uey s LYS 118 Cb -0.10 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1uey s LYS 118 CO 0.75 -1.14 0.02 -1.71 -0.36 0.00 0.00 175.35 172.91 1uey n ASN 119 N 4.13 -4.06 -0.00 1.43 4.05 -1.26 -4.95 115.26 114.60 1uey n ASN 119 Ca 0.07 0.68 -0.17 0.00 0.45 0.00 0.00 54.58 55.60 1uey n ASN 119 Cb 0.37 -2.64 -0.10 0.00 1.23 0.00 0.00 39.78 38.64 1uey n ASN 119 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1uey h PRO 120 N 1.64 0.52 -5.71 1.20 0.13 -2.00 -3.42 132.00 124.36 1uey h PRO 120 Ca -0.06 -0.50 -0.48 0.00 -0.87 0.00 0.00 66.00 64.09 1uey h PRO 120 Cb 0.12 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1uey h PRO 120 CO 0.00 1.14 1.58 0.99 -0.23 0.00 0.00 178.00 181.48 1uey s THR 121 N -3.40 3.06 0.00 1.56 2.01 -1.26 -4.93 115.64 112.68 1uey s THR 121 Ca -0.12 0.04 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1uey s THR 121 Cb 0.05 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1uey s THR 121 CO 0.85 -0.14 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.94 1uey s SER 122 N 11.24 3.96 0.00 3.53 0.15 -1.26 -5.09 113.70 126.24 1uey s SER 122 Ca 0.94 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1uey s SER 122 Cb -0.18 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 1uey s SER 122 CO 0.26 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1uey n GLY 123 N 1.83 3.10 3.77 9.45 0.00 -1.26 -5.13 105.19 116.94 1uey n GLY 123 Ca -0.16 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 4.34 -0.28 -0.33 1.61 0.04 -1.26 -5.07 135.00 134.05 1uey s PRO 124 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1uey s PRO 124 Cb 0.00 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.96 1uey s PRO 124 CO 0.00 -3.05 0.28 -1.12 0.04 0.00 0.00 177.00 173.15 1uey s SER 125 N -4.40 2.06 -0.22 6.66 0.01 -1.26 -5.00 113.70 111.54 1uey s SER 125 Ca 0.72 -1.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 1uey s SER 125 Cb -0.07 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1uey s SER 125 CO 0.54 -0.34 0.01 -0.24 0.41 0.00 0.00 173.24 173.63 1uey n SER 126 N 4.67 -7.47 0.00 2.44 2.88 -1.26 -5.37 113.62 109.50 1uey n SER 126 Ca 0.05 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1uey n SER 126 Cb 0.43 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42