#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 -0.72 -0.26 1.61 0.01 -1.26 -5.17 113.70 107.90 1uey s SER 2 Ca 0.00 1.22 -0.38 0.00 1.31 0.00 0.00 55.95 58.10 1uey s SER 2 Cb 0.00 1.28 0.16 0.00 0.21 0.00 0.00 66.02 67.67 1uey s SER 2 CO 0.00 -0.20 1.38 -0.44 0.41 0.00 0.00 173.24 174.39 1uey s SER 3 N 1.16 -0.02 0.00 2.44 0.01 -1.26 -5.16 113.70 110.87 1uey s SER 3 Ca -0.06 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1uey s SER 3 Cb -0.05 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1uey s SER 3 CO -0.13 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1uey n GLY 4 N -0.07 -0.10 3.17 3.44 0.00 -1.26 -5.16 105.19 105.22 1uey n GLY 4 Ca 0.04 0.77 0.05 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.10 -0.19 1.61 0.01 -1.26 -5.18 113.70 108.60 1uey s SER 5 Ca 0.00 0.10 -0.32 0.00 1.31 0.00 0.00 55.95 57.03 1uey s SER 5 Cb 0.00 1.10 0.14 0.00 0.21 0.00 0.00 66.02 67.47 1uey s SER 5 CO 0.00 -0.02 1.17 -0.44 0.41 0.00 0.00 173.24 174.36 1uey s SER 6 N 2.49 -0.18 0.00 2.44 0.01 -1.26 -5.18 113.70 112.02 1uey s SER 6 Ca -0.04 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1uey s SER 6 Cb -0.04 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1uey s SER 6 CO -0.12 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1uey n GLY 7 N 0.18 2.58 3.58 3.44 0.00 -1.26 -5.05 105.19 108.66 1uey n GLY 7 Ca -0.03 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 3.61 3.25 -0.35 1.61 0.04 -1.26 -4.80 135.00 137.10 1uey s PRO 8 Ca 0.00 -1.58 -0.00 0.00 0.04 0.00 0.00 61.00 59.46 1uey s PRO 8 Cb 0.00 -5.39 0.13 0.00 0.04 0.00 0.00 34.50 29.28 1uey s PRO 8 CO 0.00 -3.11 0.20 0.95 0.04 0.00 0.00 177.00 175.08 1uey s THR 9 N 7.59 0.20 -0.62 1.26 -4.23 -1.26 -5.09 115.64 113.49 1uey s THR 9 Ca 0.61 -1.63 -0.27 0.00 -1.18 0.00 0.00 61.69 59.22 1uey s THR 9 Cb 0.02 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.70 1uey s THR 9 CO 0.10 -0.94 1.54 -2.16 -0.54 0.00 0.00 174.62 172.61 1uey s PRO 10 N 1.17 3.04 0.00 3.99 0.04 -1.26 -4.88 135.00 137.11 1uey s PRO 10 Ca 0.17 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1uey s PRO 10 Cb -0.22 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1uey s PRO 10 CO -0.04 -2.26 0.00 0.00 0.04 0.00 0.00 177.00 174.73 1uey n ALA 11 N 10.60 0.00 -1.53 8.56 0.00 -1.26 -5.17 120.51 131.71 1uey n ALA 11 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1uey n ALA 11 Cb 0.50 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.10 1uey n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uey s PRO 12 N -0.83 0.85 -0.41 0.00 0.04 -1.26 -5.05 135.00 128.34 1uey s PRO 12 Ca 0.00 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.24 1uey s PRO 12 Cb 0.00 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.87 1uey s PRO 12 CO 0.00 -2.37 0.27 0.54 0.04 0.00 0.00 177.00 175.48 1uey s VAL 13 N -3.32 0.59 1.14 -0.36 0.11 -1.26 -5.13 120.40 112.18 1uey s VAL 13 Ca 0.66 -2.31 -0.19 0.00 -2.93 0.00 0.00 61.98 57.20 1uey s VAL 13 Cb -0.13 -1.42 0.28 0.00 -1.53 0.00 0.00 36.38 33.57 1uey s VAL 13 CO 0.53 -1.05 1.17 -1.22 -3.33 0.00 0.00 175.10 171.21 1uey n TYR 14 N 3.45 -3.93 0.00 1.54 4.01 -1.26 -4.77 117.16 116.20 1uey n TYR 14 Ca 0.17 -1.05 0.00 0.00 -0.16 0.00 0.00 57.90 56.86 1uey n TYR 14 Cb 0.40 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 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 -4.51 0.00 -1.00 7.72 8.00 -1.26 -5.06 116.55 120.44 1uey n ASP 15 Ca 0.16 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.75 1uey n ASP 15 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.44 2.53 0.24 -1.26 -4.63 118.33 112.38 1uey n VAL 16 Ca 0.00 0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 62.32 1uey n VAL 16 Cb 0.00 -0.70 -0.03 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 -4.34 4.35 1.02 7.34 0.04 -1.25 -4.55 135.00 137.61 1uey s PRO 17 Ca 0.00 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 1uey s PRO 17 Cb 0.00 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1uey s PRO 17 CO 0.00 -0.45 -0.09 0.09 0.04 0.00 0.00 177.00 176.59 1uey n ASN 18 N 5.16 -2.84 -4.79 6.66 5.03 -0.84 -4.46 115.26 119.18 1uey n ASN 18 Ca 0.11 0.13 -0.35 0.00 0.87 0.00 0.00 54.58 55.33 1uey n ASN 18 Cb 0.46 -0.99 -0.04 0.00 -1.02 0.00 0.00 39.78 38.19 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 -3.18 4.01 0.95 3.52 0.04 -1.26 -4.49 135.00 134.59 1uey s PRO 19 Ca 0.52 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1uey s PRO 19 Cb -0.15 -2.36 0.16 0.00 0.04 0.00 0.00 34.50 32.20 1uey s PRO 19 CO 0.69 -0.27 1.15 -1.25 0.04 0.00 0.00 177.00 177.37 1uey s PRO 20 N -2.80 0.84 0.31 0.56 0.04 -1.26 -4.08 135.00 128.61 1uey s PRO 20 Ca 0.62 0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 1uey s PRO 20 Cb -0.20 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1uey s PRO 20 CO 0.25 -2.38 0.54 -0.59 0.04 0.00 0.00 177.00 174.85 1uey s PHE 21 N -3.32 0.58 -1.06 0.56 -0.12 0.06 -4.46 117.98 110.22 1uey s PHE 21 Ca 0.66 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1uey s PHE 21 Cb -0.13 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1uey s PHE 21 CO 0.54 -1.15 0.00 -3.47 -0.05 0.00 0.00 175.22 171.08 1uey n ASP 22 N -0.95 -4.00 -4.74 1.98 -0.08 -1.26 -1.44 116.55 106.05 1uey n ASP 22 Ca -0.02 0.16 -0.42 0.00 -1.51 0.00 0.00 54.79 53.00 1uey n ASP 22 Cb 0.61 -2.77 -0.02 0.00 2.34 0.00 0.00 41.12 41.29 1uey n ASP 22 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1uey n LEU 23 N -1.35 4.30 -3.51 -2.67 4.32 -1.25 -4.68 117.00 112.15 1uey n LEU 23 Ca -0.12 1.12 -0.15 0.00 -0.02 0.00 0.00 56.01 56.85 1uey n LEU 23 Cb 0.45 -1.59 -0.05 0.00 -1.62 0.00 0.00 43.42 40.61 1uey n LEU 23 CO 0.16 0.18 0.50 -1.61 -1.22 0.00 0.00 177.39 175.39 1uey s GLU 24 N -0.08 1.01 -0.13 3.23 2.02 -0.93 -4.17 118.70 119.65 1uey s GLU 24 Ca 0.67 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.71 1uey s GLU 24 Cb -0.49 0.48 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1uey s GLU 24 CO 0.44 -0.35 0.01 -0.51 0.02 0.00 0.00 175.26 174.87 1uey s LEU 25 N -1.50 3.56 -0.21 1.80 2.01 -1.26 -1.48 118.68 121.59 1uey s LEU 25 Ca -0.07 0.05 -0.04 0.00 0.01 0.00 0.00 54.13 54.09 1uey s LEU 25 Cb -0.00 -1.85 0.11 0.00 0.01 0.00 0.00 46.19 44.45 1uey s LEU 25 CO 0.04 0.26 0.32 0.42 1.01 0.00 0.00 176.35 178.40 1uey s THR 26 N -0.16 -0.50 0.32 5.49 -4.23 -0.69 -4.99 115.64 110.88 1uey s THR 26 Ca 0.05 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1uey s THR 26 Cb -0.12 -0.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 1uey s THR 26 CO 0.02 -0.11 0.39 1.51 -0.54 0.00 0.00 174.62 175.90 1uey s ASP 27 N 2.47 0.94 0.00 3.99 -4.77 -1.26 -3.56 116.67 114.48 1uey s ASP 27 Ca 0.09 -1.50 0.00 0.00 -3.30 0.00 0.00 52.55 47.84 1uey s ASP 27 Cb -0.15 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.28 1uey s ASP 27 CO -0.14 -1.18 0.86 0.00 0.70 0.00 0.00 175.17 175.41 1uey n GLN 28 N -0.53 0.00 -3.33 2.11 10.64 -1.26 -5.02 117.38 119.99 1uey n GLN 28 Ca 0.02 -0.80 -0.10 0.00 -1.83 0.00 0.00 57.00 54.30 1uey n GLN 28 Cb 0.62 -0.42 -0.07 0.00 -0.86 0.00 0.00 30.24 29.51 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 0.00 -0.67 -0.79 2.61 1.98 -1.26 -5.08 118.68 115.47 1uey s LEU 29 Ca 0.00 -0.20 -0.24 0.00 -2.89 0.00 0.00 54.13 50.80 1uey s LEU 29 Cb 0.00 1.04 -0.16 0.00 0.66 0.00 0.00 46.19 47.73 1uey s LEU 29 CO 0.00 -0.34 2.39 -0.67 -1.89 0.00 0.00 176.35 175.84 1uey n ASP 30 N 5.35 1.36 0.00 3.68 2.03 -1.26 -2.42 116.55 125.30 1uey n ASP 30 Ca -0.01 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1uey n ASP 30 Cb 0.49 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1uey n ASP 30 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1uey n LYS 31 N 8.35 0.00 -3.71 -0.67 0.00 -1.26 -5.07 118.16 115.79 1uey n LYS 31 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.51 1uey n LYS 31 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.28 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 3.90 0.05 3.14 0.01 -1.02 -4.21 113.70 115.57 1uey s SER 32 Ca 0.00 -1.86 -0.26 0.00 1.31 0.00 0.00 55.95 55.14 1uey s SER 32 Cb 0.00 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 1uey s SER 32 CO 0.00 -0.38 0.79 0.54 0.41 0.00 0.00 173.24 174.60 1uey s VAL 33 N 1.34 4.71 -0.09 3.43 0.11 -0.09 -4.75 120.40 125.07 1uey s VAL 33 Ca 0.12 1.69 -0.20 0.00 -2.93 0.00 0.00 61.98 60.66 1uey s VAL 33 Cb -0.19 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 1uey s VAL 33 CO -0.19 0.35 0.57 -1.58 -3.33 0.00 0.00 175.10 170.92 1uey s GLN 34 N -0.00 4.37 -0.33 1.54 2.00 -1.23 0.19 119.66 126.20 1uey s GLN 34 Ca 0.40 0.64 -0.07 0.00 -2.00 0.00 0.00 55.36 54.33 1uey s GLN 34 Cb -0.21 -3.43 0.03 0.00 0.80 0.00 0.00 33.01 30.20 1uey s GLN 34 CO 0.24 0.14 0.10 -1.17 -0.50 0.00 0.00 175.29 174.10 1uey s LEU 35 N 0.61 4.20 -0.32 3.68 2.96 0.32 -1.70 118.68 128.42 1uey s LEU 35 Ca 0.31 -1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.06 1uey s LEU 35 Cb -0.16 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1uey s LEU 35 CO 0.14 -0.29 0.22 -0.44 -1.32 0.00 0.00 176.35 174.66 1uey s SER 36 N 1.43 6.04 0.29 3.68 0.01 -0.55 -2.79 113.70 121.81 1uey s SER 36 Ca -0.01 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.07 1uey s SER 36 Cb -0.19 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 1uey s SER 36 CO 0.03 -0.17 -0.11 -1.66 0.41 0.00 0.00 173.24 171.74 1uey s TRP 37 N 1.74 2.15 -0.20 2.43 -2.14 -0.84 -2.19 118.94 119.89 1uey s TRP 37 Ca 0.06 -0.54 -0.01 0.00 2.66 0.00 0.00 56.10 58.28 1uey s TRP 37 Cb -0.17 -1.15 0.05 0.00 -3.10 0.00 0.00 33.47 29.11 1uey s TRP 37 CO 0.11 0.49 -0.03 0.99 -2.66 0.00 0.00 176.95 175.85 1uey s THR 38 N -2.76 1.11 -0.34 0.66 2.01 -0.52 -4.80 115.64 110.99 1uey s THR 38 Ca 0.30 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1uey s THR 38 Cb 0.01 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1uey s THR 38 CO 0.14 -0.06 1.37 -2.16 -0.69 0.00 0.00 174.62 173.21 1uey s PRO 39 N 1.60 3.76 0.00 4.92 0.04 -1.26 -0.76 135.00 143.30 1uey s PRO 39 Ca -0.02 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1uey s PRO 39 Cb -0.17 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1uey s PRO 39 CO -0.07 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1uey n GLY 40 N 4.66 -1.94 3.65 0.56 0.00 -1.26 -4.93 105.19 105.93 1uey n GLY 40 Ca 0.16 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 0.42 -0.00 1.61 8.00 -1.26 -4.85 116.55 120.47 1uey n ASP 41 Ca 0.00 0.50 0.06 0.00 0.71 0.00 0.00 54.79 56.06 1uey n ASP 41 Cb 0.00 -1.46 -0.09 0.00 -0.02 0.00 0.00 41.12 39.55 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1uey n ASP 42 N -3.43 1.69 -3.07 -2.24 8.00 -1.26 -1.99 116.55 114.25 1uey n ASP 42 Ca 0.12 -0.23 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 1uey n ASP 42 Cb 0.51 1.40 0.02 0.00 -0.02 0.00 0.00 41.12 43.04 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 -1.74 -7.28 0.00 -2.24 5.03 -1.26 -3.18 115.26 104.59 1uey n ASN 43 Ca -0.01 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.17 1uey n ASN 43 Cb 0.28 -5.15 0.00 0.00 -1.02 0.00 0.00 39.78 33.89 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -2.21 0.00 -4.62 6.41 3.02 -1.26 -4.15 115.26 112.45 1uey n ASN 44 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 1uey n ASN 44 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1uey n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1uey s SER 45 N 0.00 6.42 0.41 6.41 0.01 -1.19 -4.98 113.70 120.77 1uey s SER 45 Ca 0.00 1.36 -0.24 0.00 1.31 0.00 0.00 55.95 58.39 1uey s SER 45 Cb 0.00 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1uey s SER 45 CO 0.00 -1.27 1.05 -2.16 0.41 0.00 0.00 173.24 171.28 1uey s PRO 46 N 4.64 4.13 0.42 12.44 0.04 -1.26 -4.55 135.00 150.86 1uey s PRO 46 Ca 0.66 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 1uey s PRO 46 Cb -0.21 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 1uey s PRO 46 CO 0.28 -0.17 1.41 0.42 0.04 0.00 0.00 177.00 178.99 1uey s ILE 47 N -1.67 2.18 0.00 0.56 -1.09 -1.26 -4.49 121.20 115.42 1uey s ILE 47 Ca 0.58 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 1uey s ILE 47 Cb -0.22 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1uey s ILE 47 CO 0.27 0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.36 1uey n THR 48 N 0.02 0.00 -4.10 2.92 -2.24 -1.00 -4.58 114.28 105.30 1uey n THR 48 Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1uey n THR 48 Cb 0.42 -0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 1uey n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1uey s LYS 49 N -1.69 0.65 -0.24 -0.78 2.20 -0.91 0.20 119.74 119.17 1uey s LYS 49 Ca 0.00 -1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 54.39 1uey s LYS 49 Cb 0.00 0.07 0.08 0.00 -1.51 0.00 0.00 37.83 36.47 1uey s LYS 49 CO 0.00 -0.07 0.10 -0.06 -0.36 0.00 0.00 175.35 174.95 1uey s PHE 50 N -3.56 0.64 0.37 4.03 0.08 0.82 -2.22 117.98 118.15 1uey s PHE 50 Ca 0.06 -0.85 -0.07 0.00 0.12 0.00 0.00 56.93 56.18 1uey s PHE 50 Cb 0.05 -0.99 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 1uey s PHE 50 CO -0.07 -0.71 0.69 0.42 -0.10 0.00 0.00 175.22 175.44 1uey s ILE 51 N 1.99 4.90 0.12 0.64 1.09 -0.12 0.52 121.20 130.34 1uey s ILE 51 Ca 0.05 0.31 0.04 0.00 -1.10 0.00 0.00 60.65 59.96 1uey s ILE 51 Cb -0.16 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1uey s ILE 51 CO -0.22 -0.50 -0.10 -0.63 -0.10 0.00 0.00 174.94 173.40 1uey s ILE 52 N -2.32 1.04 -0.21 2.92 1.01 0.14 0.20 121.20 123.99 1uey s ILE 52 Ca 0.48 -1.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 1uey s ILE 52 Cb -0.10 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.77 1uey s ILE 52 CO 0.33 -0.69 0.57 -1.61 0.00 0.00 0.00 174.94 173.54 1uey s GLU 53 N -3.39 0.67 0.16 2.79 2.02 -0.16 -2.40 118.70 118.39 1uey s GLU 53 Ca 0.12 0.77 0.06 0.00 0.02 0.00 0.00 54.97 55.94 1uey s GLU 53 Cb 0.01 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.52 1uey s GLU 53 CO -0.00 -0.09 -0.12 1.52 0.02 0.00 0.00 175.26 176.59 1uey s TYR 54 N 0.25 1.42 0.09 1.61 1.13 -1.20 0.20 117.35 120.87 1uey s TYR 54 Ca -0.00 -0.66 0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1uey s TYR 54 Cb -0.04 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 40.08 1uey s TYR 54 CO 0.01 0.18 -0.09 -1.83 -2.51 0.00 0.00 175.55 171.31 1uey s GLU 55 N -3.49 0.82 -0.84 -3.49 4.04 -1.19 -1.18 118.70 113.37 1uey s GLU 55 Ca 0.17 -1.16 -0.13 0.00 0.04 0.00 0.00 54.97 53.89 1uey s GLU 55 Cb 0.00 -0.45 0.22 0.00 0.02 0.00 0.00 34.13 33.92 1uey s GLU 55 CO 0.03 0.06 0.77 0.16 -1.84 0.00 0.00 175.26 174.44 1uey s ASP 56 N -2.50 6.70 0.60 0.83 1.47 -1.18 -1.34 116.67 121.24 1uey s ASP 56 Ca 0.06 -2.78 0.38 0.00 1.18 0.00 0.00 52.55 51.39 1uey s ASP 56 Cb -0.02 -2.18 1.79 0.00 -0.34 0.00 0.00 42.92 42.17 1uey s ASP 56 CO -0.01 -0.54 2.14 0.00 0.68 0.00 0.00 175.17 177.45 1uey h ALA 57 N 7.64 1.01 0.00 2.11 0.00 -1.68 1.64 119.26 129.97 1uey h ALA 57 Ca 0.11 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1uey h ALA 57 Cb 1.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1uey h ALA 57 CO 0.76 0.01 -0.57 1.98 0.00 0.00 0.00 179.25 181.43 1uey h MET 58 N 0.00 0.00 0.00 0.00 1.85 -1.88 -3.38 114.93 111.52 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 0.31 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.34 1uey h MET 58 CO 0.00 0.57 0.00 0.72 -0.40 0.00 0.00 176.91 177.80 1uey n HIS 59 N -3.24 0.00 -3.82 1.39 -0.00 -0.45 -4.96 115.22 104.13 1uey n HIS 59 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.40 1uey n HIS 59 Cb 0.76 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.64 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 -0.93 2.28 -0.51 -0.41 3.01 0.55 -5.04 119.74 118.69 1uey s LYS 60 Ca 0.00 -2.51 -0.28 0.00 -1.01 0.00 0.00 55.97 52.17 1uey s LYS 60 Cb 0.00 -3.55 0.01 0.00 -1.01 0.00 0.00 37.83 33.28 1uey s LYS 60 CO 0.00 -1.14 1.47 -1.25 0.51 0.00 0.00 175.35 174.94 1uey s PRO 61 N -0.06 3.34 0.00 -1.68 0.04 -0.77 -2.35 135.00 133.52 1uey s PRO 61 Ca 0.16 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1uey s PRO 61 Cb -0.22 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1uey s PRO 61 CO -0.02 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.55 1uey n GLY 62 N 5.25 2.07 3.57 0.56 0.00 -1.26 -4.99 105.19 110.38 1uey n GLY 62 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 3.64 -0.01 0.99 2.96 -0.99 -5.00 118.68 120.27 1uey s LEU 63 Ca 0.00 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1uey s LEU 63 Cb 0.00 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1uey s LEU 63 CO 0.00 -1.39 0.24 0.26 -1.32 0.00 0.00 176.35 174.13 1uey s TRP 64 N 4.64 3.57 -0.03 5.38 0.52 -1.26 -3.71 118.94 128.06 1uey s TRP 64 Ca 0.40 0.52 0.03 0.00 0.02 0.00 0.00 56.10 57.06 1uey s TRP 64 Cb -0.09 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1uey s TRP 64 CO 0.24 0.63 -0.11 -1.01 0.02 0.00 0.00 176.95 176.72 1uey s HIS 65 N -1.28 1.17 -0.50 -1.98 3.76 -0.32 -4.94 115.29 111.19 1uey s HIS 65 Ca 0.26 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.55 1uey s HIS 65 Cb -0.13 -0.82 -0.11 0.00 1.11 0.00 0.00 32.58 32.63 1uey s HIS 65 CO 0.16 -0.13 2.36 1.58 -0.85 0.00 0.00 174.74 177.86 1uey n HIS 66 N 3.29 1.39 0.00 1.40 -0.00 -1.26 -3.22 115.22 116.82 1uey n HIS 66 Ca -0.18 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1uey n HIS 66 Cb 0.54 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.85 1uey n HIS 66 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1uey n GLN 67 N 8.57 0.00 -3.61 1.57 -0.06 -1.01 -5.01 117.38 117.84 1uey n GLN 67 Ca 0.43 0.35 -0.04 0.00 -2.00 0.00 0.00 57.00 55.75 1uey n GLN 67 Cb 0.32 -0.86 -0.01 0.00 -4.06 0.00 0.00 30.24 25.62 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 -0.74 0.00 0.38 1.69 -1.32 -1.23 -5.01 115.64 109.40 1uey s THR 68 Ca 0.00 -0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1uey s THR 68 Cb 0.00 -1.45 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 1uey s THR 68 CO 0.00 0.00 0.06 -1.83 -2.21 0.00 0.00 174.62 170.64 1uey s GLU 69 N -2.75 1.82 0.22 7.08 4.04 -1.26 0.26 118.70 128.12 1uey s GLU 69 Ca 0.10 -2.06 -0.01 0.00 0.04 0.00 0.00 54.97 53.04 1uey s GLU 69 Cb 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 34.13 33.19 1uey s GLU 69 CO -0.04 -0.27 0.30 1.33 -1.84 0.00 0.00 175.26 174.74 1uey n VAL 70 N -0.84 0.00 -1.50 1.83 0.24 0.18 -4.94 118.33 113.30 1uey n VAL 70 Ca -0.05 -1.16 -0.29 0.00 -2.04 0.00 0.00 64.34 60.79 1uey n VAL 70 Cb 0.66 0.70 0.12 0.00 -1.47 0.00 0.00 33.84 33.86 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 -2.38 3.76 -0.17 -1.34 0.15 -1.26 -0.13 113.70 112.32 1uey s SER 71 Ca 0.19 1.11 0.04 0.00 0.70 0.00 0.00 55.95 57.98 1uey s SER 71 Cb -0.00 -1.74 0.36 0.00 -1.71 0.00 0.00 66.02 62.92 1uey s SER 71 CO 0.14 -2.41 1.30 0.61 1.20 0.00 0.00 173.24 174.08 1uey n GLY 72 N -2.06 2.79 0.00 9.45 0.00 0.52 -3.74 105.19 112.16 1uey n GLY 72 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.04 0.05 -2.14 2.61 -1.04 -1.26 -4.52 114.28 107.94 1uey n THR 73 Ca 0.22 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.93 1uey n THR 73 Cb 0.92 -0.61 0.04 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.02 2.88 0.00 -2.82 -2.07 -1.25 -5.00 119.66 109.38 1uey s GLN 74 Ca -0.01 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.75 1uey s GLN 74 Cb 0.00 -2.14 0.00 0.00 -1.09 0.00 0.00 33.01 29.78 1uey s GLN 74 CO 0.02 -0.88 0.71 0.25 -1.32 0.00 0.00 175.29 174.08 1uey n THR 75 N -2.80 0.00 -3.77 3.63 -2.24 -1.26 -4.87 114.28 102.97 1uey n THR 75 Ca 0.06 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1uey n THR 75 Cb 0.57 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.03 0.02 4.28 -4.23 -1.26 -1.98 115.64 112.45 1uey s THR 76 Ca 0.00 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1uey s THR 76 Cb 0.00 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.69 1uey s THR 76 CO 0.00 0.12 -0.04 0.00 -0.54 0.00 0.00 174.62 174.17 1uey s ALA 77 N 1.34 0.19 -0.06 3.99 0.00 -1.12 -4.96 121.76 121.14 1uey s ALA 77 Ca -0.06 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1uey s ALA 77 Cb -0.13 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1uey s ALA 77 CO -0.03 -0.13 0.63 -0.65 0.00 0.00 0.00 175.76 175.58 1uey s GLN 78 N -1.41 4.39 -0.08 0.00 -0.21 -1.26 -0.52 119.66 120.57 1uey s GLN 78 Ca -0.14 0.76 -0.01 0.00 0.02 0.00 0.00 55.36 55.98 1uey s GLN 78 Cb -0.10 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1uey s GLN 78 CO -0.01 0.17 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.81 1uey s LEU 79 N 0.48 3.50 -0.33 2.90 1.43 0.50 -4.89 118.68 122.26 1uey s LEU 79 Ca 0.33 0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 1uey s LEU 79 Cb -0.17 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1uey s LEU 79 CO 0.16 0.37 0.14 0.54 0.23 0.00 0.00 176.35 177.80 1uey s ASN 80 N -0.84 5.46 0.22 2.29 4.22 -1.26 -0.91 114.94 124.11 1uey s ASN 80 Ca 0.13 -0.83 0.06 0.00 -2.14 0.00 0.00 52.86 50.08 1uey s ASN 80 Cb -0.11 -1.95 -0.05 0.00 1.28 0.00 0.00 41.25 40.41 1uey s ASN 80 CO 0.02 -0.28 -0.08 -0.76 -2.04 0.00 0.00 177.10 173.96 1uey s LEU 81 N 1.53 2.45 0.23 3.54 2.01 -1.26 -5.07 118.68 122.10 1uey s LEU 81 Ca 0.02 -1.11 0.07 0.00 0.01 0.00 0.00 54.13 53.12 1uey s LEU 81 Cb -0.18 -0.50 -0.04 0.00 0.01 0.00 0.00 46.19 45.49 1uey s LEU 81 CO 0.05 -0.33 0.16 -0.44 1.01 0.00 0.00 176.35 176.80 1uey s SER 82 N -3.31 5.45 0.72 2.29 0.01 -1.26 -4.82 113.70 112.78 1uey s SER 82 Ca 0.24 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 1uey s SER 82 Cb 0.03 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.90 1uey s SER 82 CO 0.07 -0.00 1.07 -2.16 0.41 0.00 0.00 173.24 172.63 1uey s PRO 83 N -3.61 2.73 -1.31 12.44 0.04 -1.26 -3.98 135.00 140.05 1uey s PRO 83 Ca 0.32 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 1uey s PRO 83 Cb -0.08 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1uey s PRO 83 CO 0.24 -1.23 0.98 0.66 0.04 0.00 0.00 177.00 177.70 1uey n TYR 84 N -3.20 -2.33 -3.64 0.56 4.01 -1.19 -4.99 117.16 106.37 1uey n TYR 84 Ca 0.07 0.94 -0.09 0.00 -0.16 0.00 0.00 57.90 58.66 1uey n TYR 84 Cb 0.54 -4.79 -0.07 0.00 -0.31 0.00 0.00 39.34 34.70 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 -3.41 -0.00 0.10 -0.72 1.01 -1.26 -5.14 120.40 110.99 1uey s VAL 85 Ca 0.24 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1uey s VAL 85 Cb -0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1uey s VAL 85 CO 0.76 0.00 0.20 0.21 0.00 0.00 0.00 175.10 176.27 1uey s ASN 86 N 1.32 6.10 -0.11 3.32 3.84 -1.26 -4.29 114.94 123.86 1uey s ASN 86 Ca -0.08 0.14 -0.33 0.00 0.21 0.00 0.00 52.86 52.80 1uey s ASN 86 Cb -0.05 -1.79 0.13 0.00 -0.55 0.00 0.00 41.25 38.99 1uey s ASN 86 CO -0.15 0.12 1.30 -0.72 -2.79 0.00 0.00 177.10 174.86 1uey s TYR 87 N -1.59 -0.06 0.46 0.43 -0.85 -1.25 -3.05 117.35 111.44 1uey s TYR 87 Ca 0.33 -0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.90 1uey s TYR 87 Cb -0.12 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1uey s TYR 87 CO 0.26 -0.19 0.21 -1.13 -1.52 0.00 0.00 175.55 173.18 1uey n SER 88 N -0.32 2.82 -3.72 -0.18 3.41 -0.45 -3.88 113.62 111.30 1uey n SER 88 Ca -0.05 -2.77 -0.12 0.00 -0.26 0.00 0.00 58.87 55.68 1uey n SER 88 Cb 0.61 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uey s PHE 89 N -2.46 -0.44 0.07 7.33 0.08 -1.26 -3.18 117.98 118.11 1uey s PHE 89 Ca 0.16 1.00 0.07 0.00 0.12 0.00 0.00 56.93 58.27 1uey s PHE 89 Cb -0.01 0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.55 1uey s PHE 89 CO 0.10 -0.27 -0.18 -0.98 -0.10 0.00 0.00 175.22 173.79 1uey s ARG 90 N 1.24 1.09 -0.10 0.44 1.70 0.13 -1.80 118.95 121.65 1uey s ARG 90 Ca -0.09 -0.97 0.03 0.00 -0.47 0.00 0.00 55.73 54.23 1uey s ARG 90 Cb -0.09 -1.21 -0.01 0.00 -0.57 0.00 0.00 34.95 33.06 1uey s ARG 90 CO -0.10 0.29 -0.19 0.08 -1.08 0.00 0.00 175.30 174.31 1uey s VAL 91 N -1.01 2.56 0.16 4.99 1.01 -1.26 -0.99 120.40 125.85 1uey s VAL 91 Ca 0.04 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1uey s VAL 91 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1uey s VAL 91 CO 0.03 0.55 -0.13 -0.04 0.00 0.00 0.00 175.10 175.50 1uey s MET 92 N 0.10 1.93 -0.02 2.72 -1.94 0.55 -2.04 119.30 120.60 1uey s MET 92 Ca -0.09 -1.25 0.08 0.00 -1.71 0.00 0.00 55.69 52.72 1uey s MET 92 Cb -0.15 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 1uey s MET 92 CO 0.06 0.45 -0.25 0.00 -0.01 0.00 0.00 175.02 175.27 1uey s ALA 93 N -1.50 2.20 -0.02 3.03 0.00 -1.26 -0.95 121.76 123.26 1uey s ALA 93 Ca 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1uey s ALA 93 Cb -0.09 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1uey s ALA 93 CO 0.13 0.53 0.02 0.08 0.00 0.00 0.00 175.76 176.52 1uey s VAL 94 N -0.61 0.05 0.09 0.00 1.01 -0.94 -0.64 120.40 119.35 1uey s VAL 94 Ca 0.10 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1uey s VAL 94 Cb -0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1uey s VAL 94 CO -0.01 0.11 0.04 -0.46 0.00 0.00 0.00 175.10 174.79 1uey n ASN 95 N 4.15 0.71 -0.32 3.32 0.23 -0.83 -2.14 115.26 120.38 1uey n ASN 95 Ca -0.28 -1.49 0.06 0.00 -0.53 0.00 0.00 54.58 52.35 1uey n ASN 95 Cb 0.50 0.27 0.14 0.00 -2.08 0.00 0.00 39.78 38.60 1uey n ASN 95 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1uey n SER 96 N -2.14 -0.30 0.00 0.53 7.64 -1.26 -2.72 113.62 115.37 1uey n SER 96 Ca -0.01 1.54 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1uey n SER 96 Cb 0.14 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1uey n SER 96 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1uey n ILE 97 N -5.45 0.00 -1.86 0.44 2.08 -1.26 -5.04 119.36 108.28 1uey n ILE 97 Ca 0.15 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1uey n ILE 97 Cb 0.47 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 3.59 3.79 7.39 0.00 -1.10 -5.04 105.19 113.83 1uey n GLY 98 Ca 0.00 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 1.35 3.89 0.54 1.61 2.20 -1.26 -1.97 119.74 126.10 1uey s LYS 99 Ca 0.00 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.40 1uey s LYS 99 Cb 0.00 -3.32 0.12 0.00 -1.51 0.00 0.00 37.83 33.11 1uey s LYS 99 CO 0.00 0.50 0.74 -1.13 -0.36 0.00 0.00 175.35 175.10 1uey n SER 100 N 2.87 0.39 -4.82 1.43 3.41 0.19 -4.98 113.62 112.09 1uey n SER 100 Ca -0.17 -1.47 -0.31 0.00 -0.26 0.00 0.00 58.87 56.66 1uey n SER 100 Cb 0.53 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1uey n SER 100 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uey s LEU 101 N 0.00 3.04 0.34 1.04 1.43 -1.26 -4.67 118.68 118.60 1uey s LEU 101 Ca 0.44 1.54 -0.27 0.00 -1.03 0.00 0.00 54.13 54.82 1uey s LEU 101 Cb -0.02 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 1uey s LEU 101 CO 0.30 -1.49 1.07 -2.16 0.23 0.00 0.00 176.35 174.30 1uey s PRO 102 N -5.08 4.40 0.76 1.29 0.04 -1.26 -4.61 135.00 130.54 1uey s PRO 102 Ca 0.58 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 1uey s PRO 102 Cb -0.14 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 1uey s PRO 102 CO 0.55 0.04 0.57 -1.13 0.04 0.00 0.00 177.00 177.06 1uey n SER 103 N 0.54 -1.13 0.00 6.66 3.41 -0.86 -4.87 113.62 117.36 1uey n SER 103 Ca 0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1uey n SER 103 Cb 0.47 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 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 1.02 -1.26 -4.73 120.64 118.95 1uey n GLU 104 Ca 0.10 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1uey n GLU 104 Cb 0.50 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.95 0.00 -1.06 0.62 0.00 -1.26 -5.02 120.51 111.84 1uey n ALA 105 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1uey n ALA 105 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1uey n ALA 105 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uey n SER 106 N 0.00 -4.53 -4.43 0.00 3.41 -0.74 -4.81 113.62 102.52 1uey n SER 106 Ca 0.00 0.35 -0.36 0.00 -0.26 0.00 0.00 58.87 58.60 1uey n SER 106 Cb 0.00 -0.88 0.06 0.00 -0.26 0.00 0.00 64.21 63.13 1uey n SER 106 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1uey n GLU 107 N 1.44 0.28 -2.17 4.33 0.28 -1.26 -4.52 120.64 119.01 1uey n GLU 107 Ca 0.03 0.13 -0.36 0.00 -0.16 0.00 0.00 57.16 56.79 1uey n GLU 107 Cb 0.53 -1.74 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 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 -2.59 2.79 -0.31 3.44 -0.21 -1.26 -4.75 119.66 116.77 1uey s GLN 108 Ca 0.64 0.07 -0.16 0.00 0.02 0.00 0.00 55.36 55.93 1uey s GLN 108 Cb -0.36 -4.62 -0.02 0.00 1.00 0.00 0.00 33.01 29.01 1uey s GLN 108 CO 0.59 -2.76 0.43 -0.47 -2.12 0.00 0.00 175.29 170.96 1uey s TYR 109 N 8.42 3.22 -0.27 0.91 5.04 -1.25 -4.58 117.35 128.83 1uey s TYR 109 Ca 0.61 0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 1uey s TYR 109 Cb -0.09 -2.72 0.04 0.00 0.35 0.00 0.00 41.96 39.54 1uey s TYR 109 CO 0.11 -0.38 -0.04 -1.17 -1.34 0.00 0.00 175.55 172.73 1uey s LEU 110 N 2.18 3.56 0.86 6.97 2.96 -1.26 -4.26 118.68 129.68 1uey s LEU 110 Ca 0.16 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 52.78 1uey s LEU 110 Cb -0.16 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1uey s LEU 110 CO 0.11 -0.20 0.66 0.35 -1.32 0.00 0.00 176.35 175.95 1uey n THR 111 N 4.60 0.91 -1.04 3.68 -2.24 -1.26 -4.48 114.28 114.45 1uey n THR 111 Ca -0.15 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 1uey n THR 111 Cb 0.44 -0.80 0.04 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.95 -0.01 -2.68 -0.78 5.02 -1.26 -4.36 118.16 112.14 1uey n LYS 112 Ca 0.09 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1uey n LYS 112 Cb 0.52 -1.10 0.08 0.00 -0.02 0.00 0.00 35.03 34.51 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uey n ALA 113 N -2.41 -1.95 -4.08 7.82 0.00 -1.26 -3.15 120.51 115.48 1uey n ALA 113 Ca 0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 53.44 52.43 1uey n ALA 113 Cb 0.54 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 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 0.10 -0.04 -3.61 0.00 7.64 -1.26 -4.93 113.62 111.53 1uey n SER 114 Ca -0.08 -1.12 -0.08 0.00 1.01 0.00 0.00 58.87 58.60 1uey n SER 114 Cb 0.73 -2.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.39 1uey n SER 114 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uey s GLU 115 N -6.87 0.43 0.00 1.43 2.02 -1.26 -5.18 118.70 109.27 1uey s GLU 115 Ca 0.02 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1uey s GLU 115 Cb -0.01 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.42 1uey s GLU 115 CO 0.93 -0.11 0.00 -0.35 0.02 0.00 0.00 175.26 175.75 1uey n PRO 116 N 1.14 0.60 -1.15 0.39 -0.04 -1.26 -4.94 135.00 129.74 1uey n PRO 116 Ca -0.09 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1uey n PRO 116 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.81 -6.81 -3.38 3.54 2.03 -1.26 -4.71 116.55 105.15 1uey n ASP 117 Ca 0.00 0.87 -0.26 0.00 0.52 0.00 0.00 54.79 55.92 1uey n ASP 117 Cb 0.00 -3.75 -0.08 0.00 -0.72 0.00 0.00 41.12 36.57 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1uey n LYS 118 N -3.93 2.06 -1.57 -0.67 5.02 -1.26 -4.99 118.16 112.81 1uey n LYS 118 Ca -0.04 -4.31 0.00 0.00 -2.02 0.00 0.00 58.31 51.94 1uey n LYS 118 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.04 -5.49 -4.56 4.39 2.85 -1.26 -4.63 115.26 107.59 1uey n ASN 119 Ca 0.28 0.84 -0.41 0.00 -0.11 0.00 0.00 54.58 55.18 1uey n ASN 119 Cb 0.44 -2.95 -0.03 0.00 1.24 0.00 0.00 39.78 38.48 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 -1.43 3.09 -0.01 1.20 0.04 -1.26 -4.96 135.00 131.66 1uey s PRO 120 Ca 0.00 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.44 1uey s PRO 120 Cb 0.00 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1uey s PRO 120 CO 0.00 -2.20 -0.06 -0.08 0.04 0.00 0.00 177.00 174.71 1uey s THR 121 N 6.84 0.48 -0.03 1.26 -1.32 -1.26 -5.06 115.64 116.55 1uey s THR 121 Ca 0.54 -0.22 -0.17 0.00 -1.21 0.00 0.00 61.69 60.62 1uey s THR 121 Cb -0.11 -0.43 -0.10 0.00 -1.51 0.00 0.00 72.50 70.36 1uey s THR 121 CO 0.22 0.15 0.72 -1.28 -2.21 0.00 0.00 174.62 172.22 1uey h SER 122 N 6.24 -0.52 -5.00 8.08 0.87 -2.03 -3.51 113.55 117.68 1uey h SER 122 Ca -0.31 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1uey h SER 122 Cb 1.18 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1uey h SER 122 CO 0.50 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1uey n GLY 123 N 0.21 2.57 3.28 5.77 0.00 -1.26 -4.78 105.19 110.98 1uey n GLY 123 Ca -0.08 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 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 1.02 2.29 -2.90 1.61 -0.04 -1.26 -4.52 135.00 131.20 1uey n PRO 124 Ca 0.00 -2.57 -0.01 0.00 -0.04 0.00 0.00 63.50 60.88 1uey n PRO 124 Cb 0.00 -3.38 -0.01 0.00 -0.04 0.00 0.00 33.50 30.07 1uey n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uey n SER 125 N 9.27 -5.93 -1.52 3.54 2.88 -1.26 -4.77 113.62 115.83 1uey n SER 125 Ca 0.49 1.03 0.11 0.00 -1.33 0.00 0.00 58.87 59.17 1uey n SER 125 Cb 0.43 -3.52 -0.06 0.00 -0.75 0.00 0.00 64.21 60.31 1uey n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uey n SER 126 N 1.44 -8.16 0.00 -3.46 2.88 -1.26 -5.27 113.62 99.78 1uey n SER 126 Ca -0.09 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 1uey n SER 126 Cb 0.29 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 58.63 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42