#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oau s VAL 3 N 0.00 1.89 -0.20 0.00 1.01 -1.26 -4.99 120.40 116.86 1oau s VAL 3 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1oau s VAL 3 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1oau s VAL 3 CO 0.00 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.94 1oau s VAL 4 N -0.20 3.98 -0.06 2.92 1.01 -1.26 -1.24 120.40 125.54 1oau s VAL 4 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1oau s VAL 4 Cb -0.12 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1oau s VAL 4 CO 0.02 0.44 -0.15 -0.89 0.00 0.00 0.00 175.10 174.52 1oau s THR 5 N 0.91 2.96 0.25 3.92 2.01 -0.30 -3.66 115.64 121.73 1oau s THR 5 Ca 0.01 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1oau s THR 5 Cb -0.14 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1oau s THR 5 CO 0.02 0.58 -0.02 -1.10 -0.69 0.00 0.00 174.62 173.41 1oau s GLN 6 N -0.53 1.40 0.32 4.92 -0.21 -1.26 -0.73 119.66 123.58 1oau s GLN 6 Ca 0.07 -1.71 -0.29 0.00 0.02 0.00 0.00 55.36 53.45 1oau s GLN 6 Cb -0.12 -0.78 -0.11 0.00 1.00 0.00 0.00 33.01 33.01 1oau s GLN 6 CO 0.01 -0.06 1.47 -1.21 -2.12 0.00 0.00 175.29 173.38 1oau s GLU 7 N -3.82 4.19 0.07 2.91 8.01 -1.26 -4.89 118.70 123.91 1oau s GLU 7 Ca 0.29 2.45 -0.23 0.00 0.01 0.00 0.00 54.97 57.49 1oau s GLU 7 Cb 0.05 -3.03 -0.14 0.00 -4.31 0.00 0.00 34.13 26.70 1oau s GLU 7 CO 0.10 -0.47 1.62 1.03 0.01 0.00 0.00 175.26 177.56 1oau h SER 8 N 3.90 0.08 -3.74 -0.19 0.87 -1.96 -3.34 113.55 109.17 1oau h SER 8 Ca -0.49 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 59.85 1oau h SER 8 Cb 1.23 -0.02 -0.23 0.00 -0.44 0.00 0.00 62.40 62.94 1oau h SER 8 CO 0.71 0.19 -0.12 0.00 -0.53 0.00 0.00 176.83 177.07 1oau s ALA 9 N -5.66 -1.31 0.09 6.23 0.00 -1.26 -1.12 121.76 118.73 1oau s ALA 9 Ca -0.14 1.57 0.08 0.00 0.00 0.00 0.00 51.96 53.47 1oau s ALA 9 Cb 0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1oau s ALA 9 CO 0.68 -0.26 -0.20 -0.51 0.00 0.00 0.00 175.76 175.47 1oau s LEU 10 N 0.57 2.28 -0.08 0.00 1.43 -0.55 -4.94 118.68 117.40 1oau s LEU 10 Ca -0.02 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1oau s LEU 10 Cb -0.05 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1oau s LEU 10 CO -0.03 0.05 -0.24 -0.89 0.23 0.00 0.00 176.35 175.47 1oau s THR 11 N -1.12 2.08 0.26 5.49 2.01 -1.26 -1.12 115.64 121.99 1oau s THR 11 Ca 0.05 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1oau s THR 11 Cb -0.10 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1oau s THR 11 CO 0.04 0.56 0.16 0.28 -0.69 0.00 0.00 174.62 174.97 1oau s THR 12 N 0.08 0.15 0.21 -0.82 -1.32 -0.24 -4.98 115.64 108.72 1oau s THR 12 Ca -0.11 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.48 1oau s THR 12 Cb -0.16 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1oau s THR 12 CO 0.06 0.00 -0.16 -0.44 -2.21 0.00 0.00 174.62 171.87 1oau s SER 13 N -3.28 3.84 0.20 8.08 0.01 -1.26 -0.75 113.70 120.54 1oau s SER 13 Ca 0.38 -0.77 -0.32 0.00 1.31 0.00 0.00 55.95 56.55 1oau s SER 13 Cb 0.06 -0.48 -0.14 0.00 0.21 0.00 0.00 66.02 65.67 1oau s SER 13 CO 0.17 0.09 1.35 -2.65 0.41 0.00 0.00 173.24 172.61 1oau n PRO 14 N -0.02 1.73 0.00 12.44 -0.02 -1.26 -1.70 135.00 146.17 1oau n PRO 14 Ca -0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1oau n PRO 14 Cb 0.57 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1oau n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oau n GLY 15 N 2.28 2.41 3.90 -1.23 0.00 0.98 -4.88 105.19 108.66 1oau n GLY 15 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1oau n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oau s GLU 16 N -0.28 2.07 -0.17 1.61 0.41 -0.69 -4.07 118.70 117.58 1oau s GLU 16 Ca 0.00 0.11 -0.06 0.00 -0.41 0.00 0.00 54.97 54.61 1oau s GLU 16 Cb 0.00 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 1oau s GLU 16 CO 0.00 -1.51 0.02 0.99 -0.49 0.00 0.00 175.26 174.26 1oau s THR 17 N -3.53 4.36 0.01 3.63 2.01 -1.26 -0.62 115.64 120.24 1oau s THR 17 Ca 0.61 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.47 1oau s THR 17 Cb -0.11 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1oau s THR 17 CO 0.49 0.47 -0.13 0.54 -0.69 0.00 0.00 174.62 175.30 1oau s VAL 18 N 0.41 1.06 -0.16 3.82 0.11 -0.55 -4.98 120.40 120.11 1oau s VAL 18 Ca -0.00 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1oau s VAL 18 Cb -0.13 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1oau s VAL 18 CO 0.02 0.15 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.85 1oau s THR 19 N -0.56 2.23 -0.03 5.04 2.01 -1.26 -0.83 115.64 122.24 1oau s THR 19 Ca 0.03 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 1oau s THR 19 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1oau s THR 19 CO 0.00 0.54 0.12 -0.76 -0.69 0.00 0.00 174.62 173.82 1oau s LEU 20 N 0.97 4.10 0.25 4.42 1.02 0.51 -4.95 118.68 124.99 1oau s LEU 20 Ca -0.03 0.26 0.09 0.00 0.02 0.00 0.00 54.13 54.47 1oau s LEU 20 Cb -0.15 -2.31 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 1oau s LEU 20 CO -0.05 0.30 -0.14 0.42 0.02 0.00 0.00 176.35 176.91 1oau s THR 21 N -1.19 1.93 -0.10 5.49 -4.23 -1.26 -0.61 115.64 115.67 1oau s THR 21 Ca 0.22 -2.24 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1oau s THR 21 Cb -0.12 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1oau s THR 21 CO 0.13 -0.47 0.00 0.00 -0.54 0.00 0.00 174.62 173.74 1oau s ARG 23 N 1.93 3.09 -0.16 0.00 6.06 0.09 -1.53 118.95 128.43 1oau s ARG 23 Ca 0.04 -0.50 -0.05 0.00 -2.50 0.00 0.00 55.73 52.72 1oau s ARG 23 Cb -0.13 -2.75 -0.03 0.00 0.06 0.00 0.00 34.95 32.10 1oau s ARG 23 CO -0.06 0.55 -0.00 0.45 -2.50 0.00 0.00 175.30 173.74 1oau s SER 24 N -0.48 5.09 0.37 -2.12 0.15 -1.26 -1.15 113.70 114.30 1oau s SER 24 Ca 0.08 -0.04 0.27 0.00 0.70 0.00 0.00 55.95 56.96 1oau s SER 24 Cb -0.12 -1.82 1.10 0.00 -1.71 0.00 0.00 66.02 63.47 1oau s SER 24 CO 0.02 0.19 1.81 0.77 1.20 0.00 0.00 173.24 177.23 1oau h SER 25 N 6.59 0.00 1.59 5.45 4.64 -1.56 -3.09 113.55 127.18 1oau h SER 25 Ca -0.34 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.90 1oau h SER 25 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1oau h SER 25 CO 0.65 0.00 -0.36 0.71 -0.87 0.00 0.00 176.83 176.96 1oau h THR 26 N 0.00 0.63 0.00 2.95 1.35 -1.94 -3.48 112.91 112.42 1oau h THR 26 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1oau h THR 26 Cb 0.45 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1oau h THR 26 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1oau n GLY 27 N 1.14 -0.21 3.77 5.82 0.00 -1.17 -5.12 105.19 109.41 1oau n GLY 27 Ca 0.02 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1oau n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oau s ALA 28 N -1.00 3.29 0.09 4.61 0.00 -1.26 -4.23 121.76 123.26 1oau s ALA 28 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1oau s ALA 28 Cb 0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1oau s ALA 28 CO 0.00 -0.46 1.17 0.08 0.00 0.00 0.00 175.76 176.55 1oau s VAL 29 N -1.30 4.02 0.48 0.00 1.01 -0.10 -4.98 120.40 119.53 1oau s VAL 29 Ca 0.52 1.50 0.03 0.00 0.00 0.00 0.00 61.98 64.04 1oau s VAL 29 Cb -0.33 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1oau s VAL 29 CO 0.42 0.15 0.03 0.42 0.00 0.00 0.00 175.10 176.12 1oau s THR 30 N 0.78 1.45 0.30 3.92 -4.23 -1.26 -4.73 115.64 111.87 1oau s THR 30 Ca 0.56 -1.97 0.37 0.00 -1.18 0.00 0.00 61.69 59.47 1oau s THR 30 Cb -0.29 -2.42 0.40 0.00 1.34 0.00 0.00 72.50 71.53 1oau s THR 30 CO 0.31 0.00 2.11 0.71 -0.54 0.00 0.00 174.62 177.21 1oau h THR 31 N 1.45 0.04 0.00 3.99 1.35 -1.99 -1.39 112.91 116.36 1oau h THR 31 Ca -0.44 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1oau h THR 31 Cb 1.29 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1oau h THR 31 CO 0.75 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.50 1oau n SER 32 N -3.12 0.00 -0.14 5.36 3.41 -1.26 -1.84 113.62 116.02 1oau n SER 32 Ca -0.01 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1oau n SER 32 Cb 0.23 -0.46 0.33 0.00 -0.26 0.00 0.00 64.21 64.06 1oau n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oau n ASN 33 N -1.46 0.79 -4.13 4.04 5.03 -0.52 -4.75 115.26 114.27 1oau n ASN 33 Ca 0.06 -0.62 -0.32 0.00 0.87 0.00 0.00 54.58 54.57 1oau n ASN 33 Cb 0.21 0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 39.08 1oau n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1oau n TYR 34 N -1.01 -1.17 -1.56 3.10 4.02 -0.77 0.26 117.16 120.04 1oau n TYR 34 Ca 0.09 0.42 -0.52 0.00 -0.01 0.00 0.00 57.90 57.88 1oau n TYR 34 Cb 0.34 -2.54 -0.06 0.00 -0.02 0.00 0.00 39.34 37.07 1oau n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oau n ALA 35 N -4.40 -1.52 -2.57 -0.72 0.00 -1.26 -3.54 120.51 106.50 1oau n ALA 35 Ca -0.25 0.51 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 1oau n ALA 35 Cb 0.60 -1.98 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1oau n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oau s ASN 36 N 0.16 4.24 -0.06 0.00 0.01 -0.29 -1.32 114.94 117.68 1oau s ASN 36 Ca 0.81 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1oau s ASN 36 Cb -0.98 -0.71 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1oau s ASN 36 CO 0.51 0.09 -0.04 0.26 -1.51 0.00 0.00 177.10 176.41 1oau s TRP 37 N -1.78 0.86 -0.01 2.20 0.52 0.71 -1.77 118.94 119.68 1oau s TRP 37 Ca 0.25 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.15 1oau s TRP 37 Cb -0.08 -0.79 -0.01 0.00 -1.15 0.00 0.00 33.47 31.43 1oau s TRP 37 CO 0.15 -0.27 -0.16 0.08 0.02 0.00 0.00 176.95 176.78 1oau s VAL 38 N 1.27 1.26 -0.14 4.03 1.01 0.99 -0.84 120.40 127.97 1oau s VAL 38 Ca -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1oau s VAL 38 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1oau s VAL 38 CO -0.02 0.34 -0.00 -1.58 0.00 0.00 0.00 175.10 173.83 1oau s GLN 39 N -0.42 3.56 -0.24 2.72 0.74 0.43 -0.47 119.66 125.98 1oau s GLN 39 Ca 0.06 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 1oau s GLN 39 Cb -0.06 -2.95 0.02 0.00 1.10 0.00 0.00 33.01 31.12 1oau s GLN 39 CO -0.00 0.38 -0.08 -2.00 -0.55 0.00 0.00 175.29 173.03 1oau s GLU 40 N 0.01 2.87 0.20 1.67 2.12 0.96 -1.07 118.70 125.46 1oau s GLU 40 Ca 0.02 -0.95 0.05 0.00 0.36 0.00 0.00 54.97 54.46 1oau s GLU 40 Cb -0.13 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1oau s GLU 40 CO 0.02 -0.37 0.22 0.15 -0.54 0.00 0.00 175.26 174.74 1oau s LYS 41 N 1.32 3.08 0.42 4.30 -0.14 0.48 -1.67 119.74 127.52 1oau s LYS 41 Ca 0.01 -0.87 -0.22 0.00 -1.36 0.00 0.00 55.97 53.52 1oau s LYS 41 Cb -0.16 -2.71 -0.13 0.00 -1.68 0.00 0.00 37.83 33.15 1oau s LYS 41 CO -0.06 0.45 0.46 -2.30 -0.76 0.00 0.00 175.35 173.15 1oau n PRO 42 N -0.84 0.46 -2.06 -1.68 -0.02 -1.26 -1.37 135.00 128.23 1oau n PRO 42 Ca -0.08 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.55 1oau n PRO 42 Cb 0.56 -1.41 -0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1oau n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oau n ASP 43 N 1.47 -1.34 -3.67 2.55 8.00 -1.26 -4.03 116.55 118.27 1oau n ASP 43 Ca 0.12 -0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1oau n ASP 43 Cb 0.39 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1oau n ASP 43 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1oau n HIS 44 N -3.92 -2.16 -3.43 1.24 8.25 -1.15 -4.95 115.22 109.09 1oau n HIS 44 Ca -0.01 0.90 -0.43 0.00 -0.26 0.00 0.00 57.72 57.91 1oau n HIS 44 Cb 0.51 -4.55 -0.07 0.00 1.12 0.00 0.00 29.99 26.99 1oau n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oau s LEU 45 N -6.79 5.79 -0.08 2.41 2.01 -0.47 -4.96 118.68 116.58 1oau s LEU 45 Ca 0.19 -1.68 -0.06 0.00 0.01 0.00 0.00 54.13 52.59 1oau s LEU 45 Cb -0.09 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 1oau s LEU 45 CO 0.79 -0.72 0.17 -0.36 1.01 0.00 0.00 176.35 177.23 1oau s PHE 46 N 1.52 3.59 -0.05 0.29 0.40 -1.26 -0.39 117.98 122.08 1oau s PHE 46 Ca 0.04 0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 1oau s PHE 46 Cb -0.27 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.37 1oau s PHE 46 CO 0.03 0.70 0.12 0.99 0.70 0.00 0.00 175.22 177.76 1oau s THR 47 N -1.13 -0.03 0.20 0.64 2.01 -0.23 -4.98 115.64 112.11 1oau s THR 47 Ca 0.20 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1oau s THR 47 Cb -0.12 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.11 1oau s THR 47 CO 0.09 0.05 1.01 -0.83 -0.69 0.00 0.00 174.62 174.25 1oau s GLY 48 N 0.73 3.02 -0.06 4.40 0.00 -1.26 -0.43 107.32 113.72 1oau s GLY 48 Ca -0.06 0.70 -0.10 0.00 0.00 0.00 0.00 44.72 45.26 1oau s GLY 48 CO -0.03 1.42 -0.19 1.04 0.00 0.00 0.00 173.10 175.33 1oau n LEU 49 N 1.99 1.52 -3.96 0.66 4.77 -0.02 -4.79 117.00 117.18 1oau n LEU 49 Ca 0.00 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1oau n LEU 49 Cb 0.47 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1oau n LEU 49 CO 0.52 -0.41 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.15 1oau s ILE 50 N -2.48 0.25 0.23 -0.08 1.01 -1.10 -1.28 121.20 117.75 1oau s ILE 50 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1oau s ILE 50 Cb 0.03 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1oau s ILE 50 CO 0.24 -0.14 0.12 -0.83 0.00 0.00 0.00 174.94 174.33 1oau s GLY 51 N -0.64 1.61 -1.54 6.18 0.00 0.12 -0.20 107.32 112.84 1oau s GLY 51 Ca -0.05 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 42.77 1oau s GLY 51 CO -0.00 -1.49 0.89 0.61 0.00 0.00 0.00 173.10 173.11 1oau n GLY 52 N -0.37 -0.45 5.00 0.20 0.00 -1.11 -0.87 105.19 107.58 1oau n GLY 52 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1oau n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oau n THR 53 N -4.58 0.00 -0.77 2.61 -1.04 -0.44 -3.98 114.28 106.08 1oau n THR 53 Ca -0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1oau n THR 53 Cb 0.54 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.06 1oau n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oau n ASN 54 N 2.97 0.80 -4.53 8.00 0.23 -1.19 -3.29 115.26 118.24 1oau n ASN 54 Ca 0.00 -1.55 -0.43 0.00 -0.53 0.00 0.00 54.58 52.07 1oau n ASN 54 Cb 0.00 -0.05 -0.07 0.00 -2.08 0.00 0.00 39.78 37.59 1oau n ASN 54 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1oau s ASN 55 N -0.60 6.34 0.19 0.53 -0.87 -0.05 -4.61 114.94 115.87 1oau s ASN 55 Ca 0.02 -0.22 -0.30 0.00 -1.57 0.00 0.00 52.86 50.79 1oau s ASN 55 Cb 0.02 -2.32 -0.08 0.00 -0.02 0.00 0.00 41.25 38.85 1oau s ASN 55 CO 0.00 -0.72 1.05 -0.13 -2.57 0.00 0.00 177.10 174.73 1oau s ARG 56 N 2.77 4.65 0.56 -0.60 0.52 -1.26 -0.71 118.95 124.88 1oau s ARG 56 Ca 0.23 1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 56.90 1oau s ARG 56 Cb -0.14 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 1oau s ARG 56 CO 0.18 0.18 1.14 0.00 0.02 0.00 0.00 175.30 176.81 1oau s ALA 57 N -0.44 2.66 0.33 2.13 0.00 -0.40 -4.94 121.76 121.10 1oau s ALA 57 Ca 0.47 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1oau s ALA 57 Cb -0.28 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1oau s ALA 57 CO 0.34 -0.85 1.55 -2.30 0.00 0.00 0.00 175.76 174.51 1oau n PRO 58 N -1.40 2.70 0.00 0.00 -0.02 -1.26 -2.39 135.00 132.63 1oau n PRO 58 Ca 0.12 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1oau n PRO 58 Cb 0.51 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1oau n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oau n GLY 59 N 1.45 1.99 3.74 -1.23 0.00 -1.26 -5.04 105.19 104.84 1oau n GLY 59 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1oau n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oau s VAL 60 N -2.32 3.78 0.31 1.61 1.01 -1.00 -4.97 120.40 118.82 1oau s VAL 60 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1oau s VAL 60 Cb 0.00 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 1oau s VAL 60 CO 0.00 0.28 1.33 -2.65 0.00 0.00 0.00 175.10 174.06 1oau n PRO 61 N 2.25 2.13 0.32 2.72 -0.02 -1.26 -4.86 135.00 136.27 1oau n PRO 61 Ca 0.02 0.75 0.20 0.00 -2.02 0.00 0.00 63.50 62.46 1oau n PRO 61 Cb 0.46 -2.36 1.04 0.00 -0.02 0.00 0.00 33.50 32.62 1oau n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oau h ALA 62 N 3.09 1.06 0.00 3.55 0.00 -1.99 -2.42 119.26 122.54 1oau h ALA 62 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1oau h ALA 62 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1oau h ALA 62 CO 0.67 0.01 0.00 0.07 0.00 0.00 0.00 179.25 180.00 1oau h ARG 63 N 0.00 0.00 -5.46 0.00 0.11 -1.89 -3.40 114.38 103.75 1oau h ARG 63 Ca -0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 1oau h ARG 63 Cb 0.14 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.11 1oau h ARG 63 CO 0.00 0.00 -0.05 -0.06 0.10 0.00 0.00 179.97 179.96 1oau s PHE 64 N -3.70 3.34 0.03 4.08 0.40 -0.91 -1.27 117.98 119.94 1oau s PHE 64 Ca -0.01 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 1oau s PHE 64 Cb 0.09 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 40.94 1oau s PHE 64 CO 0.37 -0.15 -0.06 -1.54 0.70 0.00 0.00 175.22 174.54 1oau s SER 65 N 1.28 0.63 0.10 1.36 1.04 -0.43 -4.95 113.70 112.72 1oau s SER 65 Ca 0.22 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.34 1oau s SER 65 Cb -0.15 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1oau s SER 65 CO 0.09 -0.15 -0.23 -0.83 0.98 0.00 0.00 173.24 173.10 1oau s GLY 66 N -1.15 1.60 0.31 7.32 0.00 -1.26 -0.08 107.32 114.05 1oau s GLY 66 Ca -0.08 -1.37 -0.18 0.00 0.00 0.00 0.00 44.72 43.09 1oau s GLY 66 CO -0.00 -1.33 0.87 -1.35 0.00 0.00 0.00 173.10 171.29 1oau s SER 67 N -1.91 -0.01 -0.20 1.64 1.04 -0.59 -4.24 113.70 109.42 1oau s SER 67 Ca 0.15 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 1oau s SER 67 Cb -0.10 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1oau s SER 67 CO 0.07 -1.44 -0.01 -0.76 0.98 0.00 0.00 173.24 172.08 1oau s LEU 68 N -3.16 3.19 -0.26 2.42 1.43 -1.26 0.35 118.68 121.39 1oau s LEU 68 Ca 0.17 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1oau s LEU 68 Cb -0.04 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.43 1oau s LEU 68 CO 0.09 0.05 -0.10 -0.63 0.23 0.00 0.00 176.35 176.00 1oau s ILE 69 N 1.07 2.07 0.00 -0.59 1.01 0.07 -4.93 121.20 119.89 1oau s ILE 69 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1oau s ILE 69 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1oau s ILE 69 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.51 1oau n GLY 70 N 4.46 2.58 0.44 6.18 0.00 -1.26 -2.25 105.19 115.34 1oau n GLY 70 Ca -0.13 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1oau n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oau n ASN 71 N 5.50 1.33 -4.53 1.61 3.02 -1.26 -4.86 115.26 116.07 1oau n ASN 71 Ca 0.00 -1.58 -0.25 0.00 -0.03 0.00 0.00 54.58 52.73 1oau n ASN 71 Cb 0.00 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.01 1oau n ASN 71 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oau s LYS 72 N -1.88 1.78 0.12 3.52 1.02 -0.96 -0.92 119.74 122.42 1oau s LYS 72 Ca 0.34 -1.96 -0.08 0.00 0.02 0.00 0.00 55.97 54.29 1oau s LYS 72 Cb 0.18 -1.40 -0.06 0.00 -0.52 0.00 0.00 37.83 36.03 1oau s LYS 72 CO 0.28 -0.01 0.42 0.00 -0.92 0.00 0.00 175.35 175.12 1oau s ALA 73 N -2.86 3.72 0.03 5.17 0.00 -0.58 -0.75 121.76 126.48 1oau s ALA 73 Ca 0.34 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1oau s ALA 73 Cb 0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1oau s ALA 73 CO 0.16 0.59 -0.08 0.00 0.00 0.00 0.00 175.76 176.43 1oau s ALA 74 N -1.55 0.65 -0.20 0.00 0.00 0.16 -0.63 121.76 120.18 1oau s ALA 74 Ca 0.38 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1oau s ALA 74 Cb -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1oau s ALA 74 CO 0.21 0.06 -0.11 -1.17 0.00 0.00 0.00 175.76 174.74 1oau s LEU 75 N -1.12 2.55 -0.18 0.00 2.96 0.22 -1.55 118.68 121.56 1oau s LEU 75 Ca -0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1oau s LEU 75 Cb -0.07 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1oau s LEU 75 CO 0.00 -0.01 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.11 1oau s THR 76 N 1.39 3.88 -0.37 3.68 2.01 0.88 -0.36 115.64 126.76 1oau s THR 76 Ca 0.05 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1oau s THR 76 Cb -0.14 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 69.69 1oau s THR 76 CO -0.08 0.46 0.18 -0.63 -0.69 0.00 0.00 174.62 173.86 1oau s ILE 77 N 0.75 4.08 -0.56 1.82 1.01 -0.01 -1.32 121.20 126.97 1oau s ILE 77 Ca -0.01 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.28 1oau s ILE 77 Cb -0.14 -3.37 0.10 0.00 0.01 0.00 0.00 42.46 39.05 1oau s ILE 77 CO 0.02 -0.31 0.62 -0.89 0.00 0.00 0.00 174.94 174.39 1oau s THR 78 N 1.43 4.95 0.00 2.92 2.01 -0.39 -1.48 115.64 125.07 1oau s THR 78 Ca 0.01 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1oau s THR 78 Cb -0.21 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 67.90 1oau s THR 78 CO 0.03 -0.98 0.00 0.61 -0.69 0.00 0.00 174.62 173.59 1oau n GLY 79 N 5.25 0.57 3.67 4.40 0.00 -0.63 -4.76 105.19 113.69 1oau n GLY 79 Ca -0.10 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1oau n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oau n ALA 80 N -0.75 1.09 -2.81 4.61 0.00 0.21 -4.48 120.51 118.40 1oau n ALA 80 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.59 1oau n ALA 80 Cb 0.29 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 1oau n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oau s GLN 81 N -0.62 2.91 0.29 0.00 -1.52 -1.26 -0.01 119.66 119.45 1oau s GLN 81 Ca 0.66 -0.90 0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1oau s GLN 81 Cb -0.64 -2.63 0.63 0.00 -0.22 0.00 0.00 33.01 30.14 1oau s GLN 81 CO 0.52 0.47 1.82 1.79 -0.25 0.00 0.00 175.29 179.64 1oau h THR 82 N 1.93 0.86 0.00 -0.19 1.35 -1.93 0.37 112.91 115.29 1oau h THR 82 Ca -0.48 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1oau h THR 82 Cb 1.21 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1oau h THR 82 CO 0.63 0.17 0.00 -1.84 -0.25 0.00 0.00 175.52 174.22 1oau n GLU 83 N -4.65 0.11 0.04 4.72 0.00 -1.26 -2.44 120.64 117.16 1oau n GLU 83 Ca 0.20 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.67 1oau n GLU 83 Cb 0.42 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.87 1oau n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oau n ASP 84 N -1.40 0.32 -4.64 -1.84 8.00 0.12 -4.76 116.55 112.35 1oau n ASP 84 Ca 0.06 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.67 1oau n ASP 84 Cb 0.16 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1oau n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1oau s GLU 85 N -3.06 3.80 0.00 -1.24 2.12 -1.02 -4.83 118.70 114.47 1oau s GLU 85 Ca 0.11 2.28 -0.16 0.00 0.36 0.00 0.00 54.97 57.56 1oau s GLU 85 Cb 0.15 -4.19 0.05 0.00 0.26 0.00 0.00 34.13 30.40 1oau s GLU 85 CO 0.52 -1.33 0.72 0.00 -0.54 0.00 0.00 175.26 174.62 1oau n ALA 86 N 8.86 -2.01 -2.85 6.30 0.00 -1.02 -4.92 120.51 124.88 1oau n ALA 86 Ca 0.22 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 1oau n ALA 86 Cb 0.43 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 1oau n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1oau s ILE 87 N -2.10 4.65 -0.18 0.00 1.01 -0.67 -0.47 121.20 123.43 1oau s ILE 87 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1oau s ILE 87 Cb -0.01 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1oau s ILE 87 CO 0.00 0.45 -0.06 -0.31 0.00 0.00 0.00 174.94 175.02 1oau s TYR 88 N 0.47 2.93 -0.08 3.97 1.51 0.42 -0.03 117.35 126.54 1oau s TYR 88 Ca 0.02 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1oau s TYR 88 Cb -0.13 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1oau s TYR 88 CO 0.01 -0.35 -0.06 -0.06 -1.11 0.00 0.00 175.55 173.98 1oau s PHE 89 N 0.95 2.96 0.22 2.71 0.08 0.38 -0.10 117.98 125.18 1oau s PHE 89 Ca -0.01 0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.13 1oau s PHE 89 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1oau s PHE 89 CO 0.00 0.31 0.01 0.00 -0.10 0.00 0.00 175.22 175.44 1oau s ALA 91 N -1.99 -0.62 0.02 0.00 0.00 -0.73 0.21 121.76 118.66 1oau s ALA 91 Ca 0.29 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1oau s ALA 91 Cb -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1oau s ALA 91 CO 0.19 -0.19 -0.12 -0.51 0.00 0.00 0.00 175.76 175.13 1oau s LEU 92 N 1.05 2.90 -0.11 0.00 1.43 -0.18 -1.13 118.68 122.63 1oau s LEU 92 Ca -0.07 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 1oau s LEU 92 Cb -0.08 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1oau s LEU 92 CO -0.07 0.27 0.36 0.86 0.23 0.00 0.00 176.35 178.00 1oau s TRP 93 N -0.97 3.54 -0.60 0.29 -0.11 0.14 -1.30 118.94 119.94 1oau s TRP 93 Ca 0.16 0.76 0.06 0.00 1.22 0.00 0.00 56.10 58.30 1oau s TRP 93 Cb -0.11 -2.37 0.28 0.00 -1.50 0.00 0.00 33.47 29.77 1oau s TRP 93 CO 0.07 0.33 0.80 0.66 -4.62 0.00 0.00 176.95 174.19 1oau n TYR 94 N 3.14 3.45 -0.59 5.86 4.02 -0.12 -4.20 117.16 128.73 1oau n TYR 94 Ca -0.11 -4.06 0.00 0.00 -0.01 0.00 0.00 57.90 53.72 1oau n TYR 94 Cb 0.52 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1oau n TYR 94 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1oau n SER 95 N 0.49 -0.31 0.00 7.72 7.64 -1.26 -3.67 113.62 124.24 1oau n SER 95 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1oau n SER 95 Cb 0.42 -2.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.39 1oau n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1oau n ASN 96 N -0.05 0.00 -4.04 6.43 0.23 -1.26 -5.16 115.26 111.41 1oau n ASN 96 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1oau n ASN 96 Cb 0.02 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.61 1oau n ASN 96 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1oau s HIS 97 N -0.03 0.54 -0.13 -2.53 -3.43 -1.24 -5.16 115.29 103.32 1oau s HIS 97 Ca 0.00 -0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 53.69 1oau s HIS 97 Cb 0.00 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 1oau s HIS 97 CO 0.00 -0.12 0.07 -1.17 -2.00 0.00 0.00 174.74 171.52 1oau s LEU 98 N -1.56 3.94 -0.11 5.38 2.96 -1.26 -0.94 118.68 127.08 1oau s LEU 98 Ca -0.12 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1oau s LEU 98 Cb -0.10 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1oau s LEU 98 CO -0.00 0.32 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.50 1oau s VAL 99 N -0.51 1.54 0.29 1.68 1.01 -0.42 -4.97 120.40 119.02 1oau s VAL 99 Ca 0.10 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1oau s VAL 99 Cb -0.12 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 1oau s VAL 99 CO 0.02 0.45 0.72 -0.36 0.00 0.00 0.00 175.10 175.93 1oau s PHE 100 N 1.02 3.45 0.91 5.22 0.40 -1.26 -1.01 117.98 126.71 1oau s PHE 100 Ca -0.06 1.23 -0.14 0.00 -0.60 0.00 0.00 56.93 57.36 1oau s PHE 100 Cb -0.15 -2.53 0.15 0.00 0.51 0.00 0.00 43.02 41.00 1oau s PHE 100 CO -0.02 0.17 1.25 0.20 0.70 0.00 0.00 175.22 177.52 1oau s GLY 101 N -2.11 1.69 0.00 4.36 0.00 0.13 -4.53 107.32 106.86 1oau s GLY 101 Ca 0.50 -0.94 0.22 0.00 0.00 0.00 0.00 44.72 44.51 1oau s GLY 101 CO 0.19 -0.28 1.70 0.61 0.00 0.00 0.00 173.10 175.31 1oau n GLY 102 N -3.38 -1.24 0.00 0.20 0.00 -1.24 -4.72 105.19 94.81 1oau n GLY 102 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1oau n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oau n GLY 103 N 0.75 -0.20 3.17 -0.02 0.00 -1.26 -5.03 105.19 102.60 1oau n GLY 103 Ca 0.06 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1oau n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oau s THR 104 N -2.63 2.06 -0.39 2.61 2.01 0.86 -4.54 115.64 115.62 1oau s THR 104 Ca 0.00 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.77 1oau s THR 104 Cb 0.00 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1oau s THR 104 CO 0.00 0.55 0.89 -0.75 -0.69 0.00 0.00 174.62 174.62 1oau s LYS 105 N 0.83 3.75 -0.25 4.92 2.20 -0.27 -0.44 119.74 130.47 1oau s LYS 105 Ca -0.07 0.42 -0.14 0.00 -0.36 0.00 0.00 55.97 55.82 1oau s LYS 105 Cb -0.15 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1oau s LYS 105 CO -0.02 -0.99 0.31 -1.17 -0.36 0.00 0.00 175.35 173.12 1oau s LEU 106 N 3.45 4.07 -0.17 5.43 2.96 0.38 -1.48 118.68 133.32 1oau s LEU 106 Ca 0.36 0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 1oau s LEU 106 Cb -0.12 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1oau s LEU 106 CO 0.20 -0.10 0.05 -0.89 -1.32 0.00 0.00 176.35 174.28 1oau s THR 107 N 1.73 4.68 -0.33 3.68 2.01 -0.27 -2.42 115.64 124.72 1oau s THR 107 Ca 0.13 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 1oau s THR 107 Cb -0.15 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.32 1oau s THR 107 CO 0.09 0.49 0.06 -0.69 -0.69 0.00 0.00 174.62 173.88 1oau s VAL 108 N 0.17 3.37 -1.92 3.82 1.01 -1.26 -1.08 120.40 124.51 1oau s VAL 108 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1oau s VAL 108 Cb -0.12 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1oau s VAL 108 CO 0.01 -0.18 0.48 0.18 0.00 0.00 0.00 175.10 175.58