#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uew s SER 2 N 0.00 0.57 -0.09 1.61 0.15 -1.26 -5.15 113.70 109.53 1uew s SER 2 Ca 0.00 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 1uew s SER 2 Cb 0.00 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1uew s SER 2 CO 0.00 -0.04 0.19 -0.44 1.20 0.00 0.00 173.24 174.14 1uew s SER 3 N 0.67 0.11 -0.49 5.45 0.01 -1.26 -5.09 113.70 113.09 1uew s SER 3 Ca -0.07 0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.64 1uew s SER 3 Cb -0.11 0.32 0.21 0.00 0.21 0.00 0.00 66.02 66.65 1uew s SER 3 CO -0.01 -0.19 0.82 0.61 0.41 0.00 0.00 173.24 174.89 1uew n GLY 4 N 4.61 -0.47 3.16 3.44 0.00 -1.26 -5.14 105.19 109.52 1uew n GLY 4 Ca -0.19 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1uew n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uew s SER 5 N -0.02 0.10 0.04 1.61 0.01 -1.26 -5.12 113.70 109.07 1uew s SER 5 Ca 0.30 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1uew s SER 5 Cb 0.09 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1uew s SER 5 CO -0.12 -0.56 0.00 -0.24 0.41 0.00 0.00 173.24 172.73 1uew n SER 6 N 0.61 -8.95 -3.59 2.44 2.88 -1.26 -5.12 113.62 100.63 1uew n SER 6 Ca -0.18 1.67 -0.07 0.00 -1.33 0.00 0.00 58.87 58.95 1uew n SER 6 Cb 0.59 -4.88 -0.04 0.00 -0.75 0.00 0.00 64.21 59.13 1uew n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uew s GLY 7 N -0.54 -0.20 0.00 0.46 0.00 -1.26 -5.11 107.32 100.66 1uew s GLY 7 Ca 0.00 2.07 0.00 0.00 0.00 0.00 0.00 44.72 46.79 1uew s GLY 7 CO 0.00 0.90 0.00 1.44 0.00 0.00 0.00 173.10 175.44 1uew n SER 8 N 0.45 0.00 -4.65 1.64 7.64 -1.26 -5.09 113.62 112.35 1uew n SER 8 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.40 1uew n SER 8 Cb 0.59 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1uew n SER 8 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uew s LEU 9 N -3.15 4.11 0.26 -3.43 2.96 -1.26 -5.03 118.68 113.14 1uew s LEU 9 Ca 0.00 1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 54.80 1uew s LEU 9 Cb 0.00 -3.32 -0.09 0.00 0.50 0.00 0.00 46.19 43.28 1uew s LEU 9 CO 0.00 -0.55 1.23 -1.10 -1.32 0.00 0.00 176.35 174.61 1uew s GLN 10 N 2.83 4.47 0.08 1.98 -0.21 -1.26 -5.04 119.66 122.50 1uew s GLN 10 Ca 0.39 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.77 1uew s GLN 10 Cb -0.15 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 1uew s GLN 10 CO 0.08 -0.06 -0.04 0.95 -2.12 0.00 0.00 175.29 174.10 1uew s THR 11 N -0.71 0.39 0.21 -0.19 -4.23 -1.26 -4.43 115.64 105.42 1uew s THR 11 Ca 0.50 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1uew s THR 11 Cb -0.36 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1uew s THR 11 CO 0.44 -0.91 0.01 -0.44 -0.54 0.00 0.00 174.62 173.18 1uew s SER 12 N -2.98 4.74 -0.31 3.99 0.01 -0.24 -4.83 113.70 114.09 1uew s SER 12 Ca 0.10 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1uew s SER 12 Cb 0.07 -0.98 0.09 0.00 0.21 0.00 0.00 66.02 65.40 1uew s SER 12 CO -0.07 0.05 -0.00 -1.81 0.41 0.00 0.00 173.24 171.82 1uew s ASP 13 N -3.22 4.59 -0.77 2.44 1.01 -1.26 -2.80 116.67 116.66 1uew s ASP 13 Ca 0.29 -1.86 -0.19 0.00 0.71 0.00 0.00 52.55 51.50 1uew s ASP 13 Cb -0.08 -1.55 0.12 0.00 1.01 0.00 0.00 42.92 42.42 1uew s ASP 13 CO 0.19 -0.32 0.94 -0.69 0.21 0.00 0.00 175.17 175.51 1uew s VAL 14 N 1.02 4.75 -0.15 -1.27 1.01 -0.41 -4.91 120.40 120.42 1uew s VAL 14 Ca 0.04 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.55 1uew s VAL 14 Cb -0.19 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 1uew s VAL 14 CO -0.08 -1.35 0.78 0.54 0.00 0.00 0.00 175.10 174.99 1uew s VAL 15 N 2.76 4.93 0.02 2.92 0.11 -1.26 -0.90 120.40 128.97 1uew s VAL 15 Ca 0.23 1.53 0.07 0.00 -2.93 0.00 0.00 61.98 60.88 1uew s VAL 15 Cb -0.13 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 1uew s VAL 15 CO -0.01 0.08 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.02 1uew s ILE 16 N 1.85 2.63 0.03 7.04 1.01 -0.29 -4.99 121.20 128.49 1uew s ILE 16 Ca 0.37 -1.13 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1uew s ILE 16 Cb -0.17 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1uew s ILE 16 CO 0.13 0.42 -0.24 -1.00 0.00 0.00 0.00 174.94 174.25 1uew s HIS 17 N -0.83 2.14 0.23 3.97 3.76 -1.26 -1.25 115.29 122.06 1uew s HIS 17 Ca 0.13 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1uew s HIS 17 Cb -0.10 -1.29 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 1uew s HIS 17 CO 0.03 0.09 0.09 2.89 -0.85 0.00 0.00 174.74 176.98 1uew n ARG 18 N 1.92 0.72 -2.85 1.40 1.85 0.75 -4.81 116.66 115.64 1uew n ARG 18 Ca -0.17 -1.98 -0.20 0.00 -1.00 0.00 0.00 57.85 54.50 1uew n ARG 18 Cb 0.52 1.09 0.02 0.00 -1.05 0.00 0.00 32.46 33.05 1uew n ARG 18 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1uew s LYS 19 N -2.89 2.74 0.59 2.89 3.01 -1.26 -4.86 119.74 119.96 1uew s LYS 19 Ca 0.12 -0.86 0.37 0.00 -1.01 0.00 0.00 55.97 54.59 1uew s LYS 19 Cb 0.01 -2.59 1.76 0.00 -1.01 0.00 0.00 37.83 35.99 1uew s LYS 19 CO 0.09 -0.48 2.13 1.49 0.51 0.00 0.00 175.35 179.09 1uew h GLU 20 N 0.32 0.00 -2.20 1.68 4.81 -1.99 -3.30 114.58 113.91 1uew h GLU 20 Ca -0.43 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.22 1uew h GLU 20 Cb 1.28 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.25 1uew h GLU 20 CO 0.51 0.02 -0.70 0.09 -0.73 0.00 0.00 179.01 178.21 1uew n ASN 21 N -3.16 3.51 -3.59 1.04 4.13 -1.26 -5.00 115.26 110.94 1uew n ASN 21 Ca -0.01 -3.44 -0.00 0.00 1.68 0.00 0.00 54.58 52.81 1uew n ASN 21 Cb 0.22 -0.62 0.02 0.00 -1.54 0.00 0.00 39.78 37.85 1uew n ASN 21 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1uew s GLU 22 N -2.73 0.84 0.52 3.52 -1.05 -1.24 -5.19 118.70 113.37 1uew s GLU 22 Ca 0.43 -0.54 0.08 0.00 -0.15 0.00 0.00 54.97 54.78 1uew s GLU 22 Cb 0.21 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 34.18 1uew s GLU 22 CO -0.07 -0.39 0.60 0.20 0.95 0.00 0.00 175.26 176.54 1uew s GLY 23 N -3.63 1.99 0.73 -3.83 0.00 -1.26 -4.79 107.32 96.53 1uew s GLY 23 Ca 0.26 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.10 1uew s GLY 23 CO 0.02 -1.73 1.05 -1.36 0.00 0.00 0.00 173.10 171.08 1uew s PHE 24 N -2.62 2.80 -0.35 1.90 0.08 -1.26 -4.63 117.98 113.90 1uew s PHE 24 Ca 0.51 0.45 0.14 0.00 0.12 0.00 0.00 56.93 58.15 1uew s PHE 24 Cb -0.05 -3.27 0.40 0.00 -0.57 0.00 0.00 43.02 39.52 1uew s PHE 24 CO 0.32 -1.53 0.83 0.41 -0.10 0.00 0.00 175.22 175.15 1uew n GLY 25 N -3.01 2.77 2.91 4.36 0.00 -1.26 -4.98 105.19 105.98 1uew n GLY 25 Ca 0.09 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 1uew n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uew s PHE 26 N -2.75 1.38 -0.56 1.61 -0.71 -1.26 -1.00 117.98 114.69 1uew s PHE 26 Ca 0.35 -0.64 -0.18 0.00 -1.04 0.00 0.00 56.93 55.42 1uew s PHE 26 Cb 0.40 -1.15 0.10 0.00 -1.21 0.00 0.00 43.02 41.16 1uew s PHE 26 CO -0.03 -0.45 0.63 0.08 -1.34 0.00 0.00 175.22 174.11 1uew s VAL 27 N 1.54 4.94 -0.18 -2.49 1.01 -0.01 -5.02 120.40 120.20 1uew s VAL 27 Ca 0.01 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1uew s VAL 27 Cb -0.13 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1uew s VAL 27 CO -0.06 -0.99 1.33 -0.63 0.00 0.00 0.00 175.10 174.74 1uew s ILE 28 N 2.36 4.16 0.40 2.22 1.09 -1.26 -0.52 121.20 129.65 1uew s ILE 28 Ca 0.09 1.38 0.05 0.00 -1.10 0.00 0.00 60.65 61.08 1uew s ILE 28 Cb -0.25 -3.96 0.05 0.00 -1.06 0.00 0.00 42.46 37.25 1uew s ILE 28 CO 0.06 -0.20 0.45 2.30 -0.10 0.00 0.00 174.94 177.46 1uew n ILE 29 N 5.58 0.00 -3.59 2.92 -5.35 -0.07 -4.82 119.36 114.03 1uew n ILE 29 Ca 0.15 -1.42 -0.22 0.00 -0.27 0.00 0.00 62.75 60.99 1uew n ILE 29 Cb 0.45 -0.47 0.05 0.00 -1.74 0.00 0.00 39.64 37.93 1uew n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1uew n SER 30 N -2.28 -3.08 -3.73 7.28 7.64 -1.26 -3.31 113.62 114.88 1uew n SER 30 Ca 0.06 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.83 1uew n SER 30 Cb 0.43 -4.24 0.28 0.00 -1.01 0.00 0.00 64.21 59.66 1uew n SER 30 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uew s SER 31 N -4.01 -0.66 -0.14 6.43 0.15 -1.26 -3.42 113.70 110.78 1uew s SER 31 Ca 0.18 1.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.76 1uew s SER 31 Cb -0.04 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.65 1uew s SER 31 CO 0.80 -5.15 0.53 -0.11 1.20 0.00 0.00 173.24 170.51 1uew n LEU 32 N -5.51 0.29 -3.86 3.45 7.94 -1.26 -4.94 117.00 113.12 1uew n LEU 32 Ca 0.09 0.28 -0.18 0.00 -1.11 0.00 0.00 56.01 55.09 1uew n LEU 32 Cb 0.58 -0.26 -0.16 0.00 0.53 0.00 0.00 43.42 44.12 1uew n LEU 32 CO 0.47 -0.23 -0.39 0.21 -1.11 0.00 0.00 177.39 176.34 1uew s ASN 33 N 1.25 0.60 0.42 1.96 2.47 -1.26 -5.08 114.94 115.30 1uew s ASN 33 Ca 0.32 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1uew s ASN 33 Cb -0.43 -0.29 0.00 0.00 -1.45 0.00 0.00 41.25 39.08 1uew s ASN 33 CO 0.21 -0.07 0.00 0.54 -3.72 0.00 0.00 177.10 174.06 1uew n ARG 34 N 4.00 -2.35 -1.41 0.43 3.00 -1.26 -4.48 116.66 114.59 1uew n ARG 34 Ca -0.26 1.89 -0.39 0.00 -0.01 0.00 0.00 57.85 59.09 1uew n ARG 34 Cb 0.51 -2.76 -0.02 0.00 0.00 0.00 0.00 32.46 30.19 1uew n ARG 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1uew n PRO 35 N -3.70 2.89 -4.35 5.56 -0.04 -1.26 -4.83 135.00 129.27 1uew n PRO 35 Ca -0.06 -2.24 -0.18 0.00 -0.04 0.00 0.00 63.50 60.98 1uew n PRO 35 Cb 0.49 -2.98 -0.10 0.00 -0.04 0.00 0.00 33.50 30.86 1uew n PRO 35 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uew s GLU 36 N 3.09 1.39 0.00 0.54 2.02 -1.26 -5.16 118.70 119.32 1uew s GLU 36 Ca 0.55 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1uew s GLU 36 Cb 0.15 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1uew s GLU 36 CO -0.05 -0.12 0.00 0.45 0.02 0.00 0.00 175.26 175.56 1uew n SER 37 N -0.46 0.00 -4.56 -0.19 2.88 -1.26 -4.93 113.62 105.10 1uew n SER 37 Ca -0.04 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.26 1uew n SER 37 Cb 0.64 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1uew n SER 37 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uew s GLY 38 N 0.00 -0.48 -0.09 0.46 0.00 -1.26 -4.92 107.32 101.03 1uew s GLY 38 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1uew s GLY 38 CO 0.00 4.03 -0.23 -0.45 0.00 0.00 0.00 173.10 176.45 1uew s SER 39 N 10.57 2.97 0.91 1.64 0.15 -1.26 -5.13 113.70 123.56 1uew s SER 39 Ca 0.88 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1uew s SER 39 Cb -0.13 -1.28 0.14 0.00 -1.71 0.00 0.00 66.02 63.05 1uew s SER 39 CO 0.12 0.16 1.10 0.42 1.20 0.00 0.00 173.24 176.25 1uew s THR 40 N 0.29 2.49 0.42 6.45 -4.23 -1.26 -4.89 115.64 114.92 1uew s THR 40 Ca -0.16 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1uew s THR 40 Cb -0.17 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1uew s THR 40 CO 0.08 -0.21 0.00 -0.38 -0.54 0.00 0.00 174.62 173.57 1uew n ILE 41 N -4.09 -0.53 -1.33 2.99 5.41 -1.26 -5.05 119.36 115.49 1uew n ILE 41 Ca 0.09 0.61 0.16 0.00 1.00 0.00 0.00 62.75 64.61 1uew n ILE 41 Cb 0.53 -0.96 -0.06 0.00 -0.71 0.00 0.00 39.64 38.45 1uew n ILE 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1uew n THR 42 N -3.69 0.00 -4.22 1.39 -1.04 -1.26 -4.89 114.28 100.58 1uew n THR 42 Ca -0.06 0.36 -0.28 0.00 -2.04 0.00 0.00 64.05 62.03 1uew n THR 42 Cb 0.49 -0.79 -0.17 0.00 -1.82 0.00 0.00 70.33 68.04 1uew n THR 42 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1uew s VAL 43 N -3.06 1.34 0.00 12.58 1.01 -1.26 -5.10 120.40 125.91 1uew s VAL 43 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1uew s VAL 43 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1uew s VAL 43 CO 0.00 0.41 0.57 -2.65 0.00 0.00 0.00 175.10 173.43 1uew n PRO 44 N 4.49 0.00 -1.87 2.72 -0.02 -1.26 -4.63 135.00 134.43 1uew n PRO 44 Ca -0.17 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 1uew n PRO 44 Cb 0.51 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.89 1uew n PRO 44 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1uew s HIS 45 N -1.27 2.16 0.03 6.00 3.76 -1.22 -4.49 115.29 120.25 1uew s HIS 45 Ca 0.00 0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 54.99 1uew s HIS 45 Cb 0.00 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.65 1uew s HIS 45 CO 0.00 -4.28 0.10 -1.59 -0.85 0.00 0.00 174.74 168.12 1uew s LYS 46 N 3.10 0.54 0.03 1.40 -2.85 -1.21 -0.79 119.74 119.96 1uew s LYS 46 Ca 0.77 -0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 54.78 1uew s LYS 46 Cb -0.40 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.51 1uew s LYS 46 CO 0.34 -0.13 1.59 0.42 0.10 0.00 0.00 175.35 177.67 1uew s ILE 47 N -2.22 3.31 -0.19 3.79 -1.09 -0.82 -0.90 121.20 123.09 1uew s ILE 47 Ca -0.08 0.68 0.15 0.00 -2.23 0.00 0.00 60.65 59.17 1uew s ILE 47 Cb -0.03 -3.44 -0.22 0.00 -1.58 0.00 0.00 42.46 37.19 1uew s ILE 47 CO -0.03 -0.01 0.04 0.61 -1.23 0.00 0.00 174.94 174.32 1uew n GLY 48 N 3.93 -0.85 3.34 6.18 0.00 0.33 -0.66 105.19 117.46 1uew n GLY 48 Ca 0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1uew n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uew s ARG 49 N -2.44 1.06 -0.03 1.61 3.52 -1.22 -4.82 118.95 116.62 1uew s ARG 49 Ca -0.11 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1uew s ARG 49 Cb 0.06 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 1uew s ARG 49 CO 0.73 -0.41 -0.11 0.42 -0.81 0.00 0.00 175.30 175.12 1uew s ILE 50 N -3.39 0.93 0.02 4.11 1.01 -1.26 -0.83 121.20 121.79 1uew s ILE 50 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1uew s ILE 50 Cb 0.01 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1uew s ILE 50 CO -0.09 0.29 1.48 -0.63 0.00 0.00 0.00 174.94 175.99 1uew s ILE 51 N 0.20 3.50 0.19 2.92 1.09 -0.17 -4.95 121.20 123.99 1uew s ILE 51 Ca -0.04 0.90 -0.33 0.00 -1.10 0.00 0.00 60.65 60.08 1uew s ILE 51 Cb -0.10 -3.58 -0.15 0.00 -1.06 0.00 0.00 42.46 37.58 1uew s ILE 51 CO 0.01 -0.01 1.34 -0.67 -0.10 0.00 0.00 174.94 175.51 1uew n ASP 52 N 5.49 2.19 0.00 3.58 -0.08 -1.26 -2.10 116.55 124.38 1uew n ASP 52 Ca 0.14 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1uew n ASP 52 Cb 0.43 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1uew n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uew n GLY 53 N 2.30 0.53 3.67 0.27 0.00 -1.26 -5.00 105.19 105.70 1uew n GLY 53 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1uew n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uew s SER 54 N -2.50 3.04 0.55 1.61 1.04 -0.89 -4.62 113.70 111.92 1uew s SER 54 Ca 0.00 1.84 0.29 0.00 0.48 0.00 0.00 55.95 58.56 1uew s SER 54 Cb 0.00 -2.42 1.58 0.00 0.10 0.00 0.00 66.02 65.27 1uew s SER 54 CO 0.00 -2.97 1.87 1.55 0.98 0.00 0.00 173.24 174.67 1uew h PRO 55 N -1.77 0.00 0.02 4.02 0.13 -1.87 0.33 132.00 132.85 1uew h PRO 55 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1uew h PRO 55 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1uew h PRO 55 CO 0.48 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.24 1uew h ALA 56 N 1.58 -0.78 -0.11 -0.56 0.00 -1.90 -3.05 119.26 114.43 1uew h ALA 56 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1uew h ALA 56 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1uew h ALA 56 CO 0.00 -0.78 -0.27 0.22 0.00 0.00 0.00 179.25 178.43 1uew h ASP 57 N -0.03 0.20 0.25 0.00 1.82 -1.55 -1.55 116.42 115.57 1uew h ASP 57 Ca -0.00 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1uew h ASP 57 Cb 0.02 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 1uew h ASP 57 CO 0.00 0.47 -0.04 0.03 -1.61 0.00 0.00 179.24 178.09 1uew h ARG 58 N 0.18 0.00 -0.00 0.28 2.47 -1.12 0.33 114.38 116.53 1uew h ARG 58 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1uew h ARG 58 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1uew h ARG 58 CO 0.04 0.04 -0.04 0.00 0.56 0.00 0.00 179.97 180.57 1uew n ALA 60 N -1.47 0.00 -0.09 0.00 0.00 0.10 -4.75 120.51 114.30 1uew n ALA 60 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1uew n ALA 60 Cb 0.33 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 1uew n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uew h LYS 61 N 0.00 0.01 -5.60 0.00 1.79 -1.84 -3.47 116.57 107.46 1uew h LYS 61 Ca 0.00 -0.02 -0.58 0.00 -2.18 0.00 0.00 60.65 57.87 1uew h LYS 61 Cb 0.41 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 1uew h LYS 61 CO 0.00 1.01 -0.22 -1.17 -1.08 0.00 0.00 179.45 177.99 1uew s LEU 62 N -7.91 4.25 0.38 2.94 2.96 -1.26 -5.08 118.68 114.95 1uew s LEU 62 Ca -0.27 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 1uew s LEU 62 Cb 0.04 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.11 1uew s LEU 62 CO 0.62 0.03 0.03 -0.54 -1.32 0.00 0.00 176.35 175.16 1uew s LYS 63 N 0.66 1.85 0.60 1.98 3.01 -1.26 -4.63 119.74 121.95 1uew s LYS 63 Ca 0.21 -2.04 -0.20 0.00 -1.01 0.00 0.00 55.97 52.94 1uew s LYS 63 Cb -0.14 -1.36 -0.04 0.00 -1.01 0.00 0.00 37.83 35.29 1uew s LYS 63 CO 0.07 -0.10 1.22 1.55 0.51 0.00 0.00 175.35 178.61 1uew n VAL 64 N -0.86 4.20 -0.13 3.17 3.14 -1.26 -2.73 118.33 123.86 1uew n VAL 64 Ca -0.04 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 1uew n VAL 64 Cb 0.67 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 1uew n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uew n GLY 65 N 0.97 1.54 3.56 7.55 0.00 0.17 -4.98 105.19 114.01 1uew n GLY 65 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1uew n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uew s ASP 66 N -3.14 5.32 -0.41 1.61 1.11 -1.10 -4.84 116.67 115.23 1uew s ASP 66 Ca 0.00 -0.89 -0.42 0.00 0.18 0.00 0.00 52.55 51.42 1uew s ASP 66 Cb 0.00 -2.56 -0.18 0.00 1.07 0.00 0.00 42.92 41.24 1uew s ASP 66 CO 0.00 -2.60 1.41 0.54 1.18 0.00 0.00 175.17 175.70 1uew n ARG 67 N 8.80 0.00 -3.61 8.23 1.74 -1.26 -1.95 116.66 128.61 1uew n ARG 67 Ca 0.40 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.10 1uew n ARG 67 Cb 0.47 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 1uew n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uew s ILE 68 N 2.45 5.11 -0.04 0.55 1.01 0.03 -3.37 121.20 126.93 1uew s ILE 68 Ca 0.94 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 1uew s ILE 68 Cb -1.34 -3.47 -0.18 0.00 0.01 0.00 0.00 42.46 37.47 1uew s ILE 68 CO 0.72 0.20 1.02 -0.07 0.00 0.00 0.00 174.94 176.82 1uew h LEU 69 N 8.37 -0.12 -8.01 2.97 3.38 -0.89 -3.41 115.31 117.61 1uew h LEU 69 Ca -0.35 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.11 1uew h LEU 69 Cb 1.18 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1uew h LEU 69 CO 0.57 0.44 -0.17 0.00 0.09 0.00 0.00 178.44 179.37 1uew s ALA 70 N -3.84 -0.32 -0.14 1.53 0.00 -1.16 -4.00 121.76 113.84 1uew s ALA 70 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1uew s ALA 70 Cb 0.01 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1uew s ALA 70 CO 0.57 -0.74 -0.12 0.08 0.00 0.00 0.00 175.76 175.55 1uew s VAL 71 N -3.95 1.38 -0.00 0.00 1.01 -0.91 -1.64 120.40 116.29 1uew s VAL 71 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1uew s VAL 71 Cb 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1uew s VAL 71 CO 0.01 0.42 0.00 0.59 0.00 0.00 0.00 175.10 176.12 1uew n ASN 72 N 4.83 -4.35 0.00 3.32 3.02 0.65 -0.77 115.26 121.96 1uew n ASN 72 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1uew n ASN 72 Cb 0.50 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 1uew n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uew n GLY 73 N 0.72 0.86 3.76 7.41 0.00 -1.26 -5.03 105.19 111.65 1uew n GLY 73 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1uew n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uew s GLN 74 N -0.30 3.01 -0.72 1.61 -1.52 0.05 -5.06 119.66 116.74 1uew s GLN 74 Ca 0.00 -0.51 -0.24 0.00 -1.95 0.00 0.00 55.36 52.66 1uew s GLN 74 Cb 0.00 -2.82 0.05 0.00 -0.22 0.00 0.00 33.01 30.02 1uew s GLN 74 CO 0.00 0.64 1.13 -1.54 -0.25 0.00 0.00 175.29 175.28 1uew s SER 75 N -1.69 6.19 0.00 5.90 1.04 -1.26 -2.13 113.70 121.75 1uew s SER 75 Ca 0.22 -0.80 0.31 0.00 0.48 0.00 0.00 55.95 56.16 1uew s SER 75 Cb -0.12 -2.49 1.70 0.00 0.10 0.00 0.00 66.02 65.21 1uew s SER 75 CO 0.13 -1.62 2.13 2.30 0.98 0.00 0.00 173.24 177.16 1uew n ILE 76 N 6.16 0.01 0.05 -1.02 -5.35 -1.26 -3.24 119.36 114.71 1uew n ILE 76 Ca 0.02 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.53 1uew n ILE 76 Cb 0.47 -0.51 0.41 0.00 -1.74 0.00 0.00 39.64 38.28 1uew n ILE 76 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1uew h ILE 77 N 0.00 1.13 0.00 7.28 5.03 -1.90 -3.36 117.51 125.69 1uew h ILE 77 Ca 0.00 -0.44 -0.26 0.00 -0.12 0.00 0.00 64.86 64.04 1uew h ILE 77 Cb 0.14 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 34.70 1uew h ILE 77 CO 0.00 0.16 -1.93 0.59 -0.68 0.00 0.00 178.15 176.29 1uew n ASN 78 N -4.39 2.12 -4.68 1.72 4.13 -1.20 -4.90 115.26 108.06 1uew n ASN 78 Ca 0.01 0.04 -0.35 0.00 1.68 0.00 0.00 54.58 55.96 1uew n ASN 78 Cb 0.15 -0.36 0.10 0.00 -1.54 0.00 0.00 39.78 38.13 1uew n ASN 78 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1uew n MET 79 N -3.30 0.54 -1.79 3.52 2.81 -1.24 -4.96 117.12 112.70 1uew n MET 79 Ca -0.31 0.25 -0.38 0.00 -1.81 0.00 0.00 57.70 55.45 1uew n MET 79 Cb 0.78 -2.39 0.04 0.00 -0.71 0.00 0.00 33.22 30.93 1uew n MET 79 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1uew s PRO 80 N -3.66 3.16 0.28 0.03 0.04 -1.26 -4.89 135.00 128.71 1uew s PRO 80 Ca 0.76 2.24 0.02 0.00 0.04 0.00 0.00 61.00 64.05 1uew s PRO 80 Cb -0.33 -2.27 0.61 0.00 0.04 0.00 0.00 34.50 32.55 1uew s PRO 80 CO 0.48 -1.17 1.78 1.25 0.04 0.00 0.00 177.00 179.37 1uew h HIS 81 N 1.49 0.93 -0.57 0.56 2.76 -1.95 -0.07 115.15 118.30 1uew h HIS 81 Ca -0.51 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1uew h HIS 81 Cb 1.30 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 1uew h HIS 81 CO 0.46 0.23 0.38 0.00 -1.30 0.00 0.00 177.93 177.70 1uew h ALA 82 N 1.59 1.60 -0.29 5.26 0.00 -1.98 0.31 119.26 125.75 1uew h ALA 82 Ca 0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1uew h ALA 82 Cb 0.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uew h ALA 82 CO -0.36 0.37 -0.04 0.22 0.00 0.00 0.00 179.25 179.43 1uew h ASP 83 N 0.76 0.54 -0.24 0.00 1.82 -1.37 -0.90 116.42 117.04 1uew h ASP 83 Ca 0.21 -0.35 -0.14 0.00 -0.39 0.00 0.00 57.03 56.36 1uew h ASP 83 Cb -0.08 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 1uew h ASP 83 CO -0.05 0.76 -0.37 0.40 -1.61 0.00 0.00 179.24 178.38 1uew h ILE 84 N 0.31 1.28 -0.26 2.25 2.04 -1.28 0.62 117.51 122.49 1uew h ILE 84 Ca 0.08 -1.53 0.04 0.00 1.00 0.00 0.00 64.86 64.44 1uew h ILE 84 Cb 0.51 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1uew h ILE 84 CO 0.02 0.50 0.02 0.58 0.00 0.00 0.00 178.15 179.28 1uew h VAL 85 N 0.64 0.84 -0.37 1.67 2.07 -0.86 -1.84 116.25 118.40 1uew h VAL 85 Ca 0.06 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1uew h VAL 85 Cb 0.92 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1uew h VAL 85 CO 0.08 0.02 -0.17 0.50 0.02 0.00 0.00 177.57 178.02 1uew h LYS 86 N 0.11 0.69 -0.63 1.57 3.64 -0.58 -1.73 116.57 119.63 1uew h LYS 86 Ca 0.12 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1uew h LYS 86 Cb 0.14 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1uew h LYS 86 CO -0.18 0.82 0.35 -0.07 -2.27 0.00 0.00 179.45 178.09 1uew h LEU 87 N 0.62 0.52 -0.46 5.20 -0.00 -0.69 0.22 115.31 120.72 1uew h LEU 87 Ca 0.10 0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.89 1uew h LEU 87 Cb 0.63 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1uew h LEU 87 CO 0.04 0.35 -0.16 0.40 -0.00 0.00 0.00 178.44 179.07 1uew h ILE 88 N 0.66 1.27 -0.12 1.22 2.04 -0.95 -0.32 117.51 121.30 1uew h ILE 88 Ca 0.28 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1uew h ILE 88 Cb 0.15 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1uew h ILE 88 CO -0.17 0.45 0.08 0.50 0.00 0.00 0.00 178.15 179.01 1uew h LYS 89 N 0.76 0.16 0.00 2.37 3.64 -0.82 -2.27 116.57 120.42 1uew h LYS 89 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1uew h LYS 89 Cb 0.72 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1uew h LYS 89 CO 0.06 0.11 0.00 -3.47 -2.27 0.00 0.00 179.45 173.88 1uew n ASP 90 N -5.00 0.33 0.16 4.20 -0.08 0.72 -1.59 116.55 115.29 1uew n ASP 90 Ca -0.05 0.58 0.12 0.00 -1.51 0.00 0.00 54.79 53.93 1uew n ASP 90 Cb 0.03 -0.65 0.58 0.00 2.34 0.00 0.00 41.12 43.42 1uew n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uew n ALA 91 N -1.63 1.22 0.00 -1.67 0.00 -0.14 -4.96 120.51 113.33 1uew n ALA 91 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1uew n ALA 91 Cb 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1uew n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uew n GLY 92 N -0.92 0.30 0.00 0.00 0.00 -0.62 -2.83 105.19 101.13 1uew n GLY 92 Ca -0.00 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1uew n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uew n LEU 93 N 0.00 0.54 -4.95 0.99 4.77 -1.26 -4.84 117.00 112.25 1uew n LEU 93 Ca 0.00 -0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1uew n LEU 93 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1uew n LEU 93 CO 0.00 0.13 0.24 -0.94 -1.33 0.00 0.00 177.39 175.49 1uew s SER 94 N -3.05 6.06 -0.23 -1.43 1.04 -1.13 -0.18 113.70 114.78 1uew s SER 94 Ca 0.11 0.39 -0.18 0.00 0.48 0.00 0.00 55.95 56.74 1uew s SER 94 Cb 0.17 -1.78 0.06 0.00 0.10 0.00 0.00 66.02 64.57 1uew s SER 94 CO 0.71 -0.52 0.59 0.54 0.98 0.00 0.00 173.24 175.55 1uew s VAL 95 N -2.46 -0.00 -0.33 5.02 0.11 -0.38 -4.55 120.40 117.81 1uew s VAL 95 Ca 0.45 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.52 1uew s VAL 95 Cb -0.10 -0.84 0.08 0.00 -1.53 0.00 0.00 36.38 33.99 1uew s VAL 95 CO 0.37 0.01 0.03 -0.89 -3.33 0.00 0.00 175.10 171.29 1uew s THR 96 N 0.73 2.63 0.51 5.04 2.01 -1.26 -1.14 115.64 124.17 1uew s THR 96 Ca -0.03 -1.89 -0.03 0.00 0.31 0.00 0.00 61.69 60.05 1uew s THR 96 Cb -0.05 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1uew s THR 96 CO -0.05 -0.37 0.78 -0.76 -0.69 0.00 0.00 174.62 173.53 1uew s LEU 97 N 1.08 3.46 -0.14 4.42 1.43 -0.08 -0.25 118.68 128.60 1uew s LEU 97 Ca 0.02 0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1uew s LEU 97 Cb -0.20 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1uew s LEU 97 CO -0.05 -0.86 -0.09 -0.60 0.23 0.00 0.00 176.35 174.98 1uew s ARG 98 N -4.75 1.72 0.30 1.70 3.52 -0.65 -1.29 118.95 119.49 1uew s ARG 98 Ca 0.51 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1uew s ARG 98 Cb -0.10 -1.84 -0.06 0.00 -1.56 0.00 0.00 34.95 31.38 1uew s ARG 98 CO 0.41 -0.30 0.05 0.96 -0.81 0.00 0.00 175.30 175.61 1uew s ILE 99 N 1.62 1.08 -0.30 4.11 -5.25 -1.12 -0.24 121.20 121.09 1uew s ILE 99 Ca 0.04 -2.01 -0.13 0.00 -0.99 0.00 0.00 60.65 57.56 1uew s ILE 99 Cb -0.13 -2.70 -0.03 0.00 2.95 0.00 0.00 42.46 42.55 1uew s ILE 99 CO -0.09 -0.06 0.28 -0.63 -1.79 0.00 0.00 174.94 172.66 1uew s ILE 100 N -3.38 5.24 0.51 8.37 1.09 -1.22 -1.07 121.20 130.75 1uew s ILE 100 Ca 0.35 0.15 -0.11 0.00 -1.10 0.00 0.00 60.65 59.94 1uew s ILE 100 Cb 0.08 -3.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.76 1uew s ILE 100 CO 0.14 0.10 0.91 -2.16 -0.10 0.00 0.00 174.94 173.83 1uew s PRO 101 N 1.88 3.72 0.23 2.79 0.04 -1.26 -4.87 135.00 137.52 1uew s PRO 101 Ca 0.10 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.69 1uew s PRO 101 Cb -0.16 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1uew s PRO 101 CO 0.11 -0.29 0.32 -0.65 0.04 0.00 0.00 177.00 176.52 1uew s GLN 102 N -4.49 1.41 0.00 4.56 -0.21 -1.26 -4.96 119.66 114.71 1uew s GLN 102 Ca 0.54 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.46 1uew s GLN 102 Cb -0.10 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1uew s GLN 102 CO 0.41 -0.54 0.00 -0.85 -2.12 0.00 0.00 175.29 172.19 1uew n GLU 103 N -0.34 4.86 0.00 2.91 0.28 -1.26 -4.80 120.64 122.28 1uew n GLU 103 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1uew n GLU 103 Cb 0.64 -0.56 0.55 0.00 1.43 0.00 0.00 31.44 33.49 1uew n GLU 103 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1uew n GLU 104 N -0.24 1.06 -3.90 3.44 0.00 -1.26 -4.77 120.64 114.96 1uew n GLU 104 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 57.16 56.30 1uew n GLU 104 Cb 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 31.44 29.81 1uew n GLU 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1uew s LEU 105 N -2.29 4.02 -0.25 -1.84 1.43 -1.26 -5.03 118.68 113.45 1uew s LEU 105 Ca 0.32 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1uew s LEU 105 Cb 0.20 -1.71 0.12 0.00 0.03 0.00 0.00 46.19 44.82 1uew s LEU 105 CO 0.44 -0.28 0.25 0.21 0.23 0.00 0.00 176.35 177.19 1uew s ASN 106 N 1.29 1.67 0.65 2.29 2.47 -1.26 -5.08 114.94 116.96 1uew s ASN 106 Ca -0.04 -0.55 -0.17 0.00 0.42 0.00 0.00 52.86 52.53 1uew s ASN 106 Cb -0.20 0.40 -0.01 0.00 -1.45 0.00 0.00 41.25 40.00 1uew s ASN 106 CO -0.02 -0.36 1.18 -0.44 -3.72 0.00 0.00 177.10 173.74 1uew s SER 107 N 2.33 4.88 1.00 -4.21 0.01 -1.26 -5.06 113.70 111.40 1uew s SER 107 Ca 0.09 2.29 -0.07 0.00 1.31 0.00 0.00 55.95 59.57 1uew s SER 107 Cb -0.15 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.59 1uew s SER 107 CO -0.24 -1.79 0.54 -0.81 0.41 0.00 0.00 173.24 171.34 1uew n PRO 108 N -2.10 -0.59 0.00 12.44 -0.04 -1.26 -4.93 135.00 138.52 1uew n PRO 108 Ca 0.13 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1uew n PRO 108 Cb 0.50 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 1uew n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uew n SER 109 N -3.37 0.14 -3.98 3.54 2.88 -1.26 -4.87 113.62 106.70 1uew n SER 109 Ca 0.07 -0.72 -0.39 0.00 -1.33 0.00 0.00 58.87 56.50 1uew n SER 109 Cb 0.24 -0.07 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 1uew n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uew n GLY 110 N 0.04 -0.96 3.65 0.46 0.00 -1.26 -4.70 105.19 102.41 1uew n GLY 110 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1uew n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uew s PRO 111 N -6.57 3.97 -0.54 1.61 0.04 -1.26 -1.64 135.00 130.61 1uew s PRO 111 Ca 0.32 2.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 1uew s PRO 111 Cb -0.18 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.19 1uew s PRO 111 CO 0.92 -1.15 0.33 0.45 0.04 0.00 0.00 177.00 177.59 1uew n SER 112 N 8.24 -2.19 -4.66 6.66 2.88 -1.26 -4.82 113.62 118.46 1uew n SER 112 Ca 0.21 -0.60 -0.50 0.00 -1.33 0.00 0.00 58.87 56.66 1uew n SER 112 Cb 0.42 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 63.03 1uew n SER 112 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uew n SER 113 N -0.79 3.16 0.00 -3.46 2.88 -0.65 -5.29 113.62 109.46 1uew n SER 113 Ca -0.10 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1uew n SER 113 Cb 0.31 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1uew n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42