#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pew s PHE 2 N 0.00 0.67 0.08 -2.53 -0.12 -1.26 -4.78 117.98 110.05 1pew s PHE 2 Ca 0.00 -1.09 0.08 0.00 -0.05 0.00 0.00 56.93 55.87 1pew s PHE 2 Cb 0.00 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1pew s PHE 2 CO 0.00 -1.32 -0.21 0.00 -0.05 0.00 0.00 175.22 173.63 1pew s MET 3 N -2.73 1.24 -0.12 1.99 0.23 -1.26 -4.94 119.30 113.70 1pew s MET 3 Ca 0.24 -1.11 -0.04 0.00 -1.03 0.00 0.00 55.69 53.75 1pew s MET 3 Cb -0.02 -1.48 -0.04 0.00 -1.53 0.00 0.00 34.83 31.76 1pew s MET 3 CO 0.17 0.36 0.04 -0.51 -2.03 0.00 0.00 175.02 173.05 1pew s LEU 4 N -1.68 3.79 -0.16 0.18 1.43 -1.26 -1.74 118.68 119.25 1pew s LEU 4 Ca 0.07 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1pew s LEU 4 Cb -0.10 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1pew s LEU 4 CO 0.04 0.32 -0.16 0.20 0.23 0.00 0.00 176.35 176.98 1pew s ASN 5 N -0.55 2.86 0.09 2.29 0.01 -0.15 -3.96 114.94 115.54 1pew s ASN 5 Ca 0.10 -0.56 0.08 0.00 -0.71 0.00 0.00 52.86 51.76 1pew s ASN 5 Cb -0.12 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 1pew s ASN 5 CO 0.02 -0.05 -0.19 0.00 -1.51 0.00 0.00 177.10 175.37 1pew s GLN 6 N 1.43 1.06 0.60 -0.60 -2.07 -1.26 -1.38 119.66 117.44 1pew s GLN 6 Ca 0.05 -1.11 -0.19 0.00 -1.82 0.00 0.00 55.36 52.28 1pew s GLN 6 Cb -0.13 -1.27 -0.03 0.00 -1.09 0.00 0.00 33.01 30.49 1pew s GLN 6 CO -0.11 0.29 1.30 -1.25 -1.32 0.00 0.00 175.29 174.20 1pew s PRO 7 N -1.86 2.84 0.21 9.60 0.04 -1.26 -4.72 135.00 139.86 1pew s PRO 7 Ca 0.05 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1pew s PRO 7 Cb -0.10 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.59 1pew s PRO 7 CO 0.04 -1.37 1.87 0.45 0.04 0.00 0.00 177.00 178.02 1pew h HIS 8 N 0.93 0.89 -3.68 0.56 3.86 -1.97 -3.38 115.15 112.37 1pew h HIS 8 Ca -0.51 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 58.51 1pew h HIS 8 Cb 1.32 -0.30 -0.27 0.00 1.06 0.00 0.00 27.41 29.22 1pew h HIS 8 CO 0.44 0.55 -0.68 -1.12 0.86 0.00 0.00 177.93 177.98 1pew s SER 9 N -5.83 -0.01 -0.06 2.45 0.01 -1.26 -0.45 113.70 108.56 1pew s SER 9 Ca -0.13 0.00 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1pew s SER 9 Cb 0.15 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1pew s SER 9 CO 0.77 -0.05 -0.14 -0.69 0.41 0.00 0.00 173.24 173.54 1pew s VAL 11 N -0.17 1.22 -0.08 3.43 1.01 0.21 -4.90 120.40 121.12 1pew s VAL 11 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1pew s VAL 11 Cb -0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1pew s VAL 11 CO -0.00 0.37 -0.04 -0.55 0.00 0.00 0.00 175.10 174.88 1pew s SER 12 N 0.41 4.92 -0.19 3.32 0.15 -1.26 -1.66 113.70 119.39 1pew s SER 12 Ca -0.10 0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.32 1pew s SER 12 Cb -0.14 -1.33 0.07 0.00 -1.71 0.00 0.00 66.02 62.92 1pew s SER 12 CO 0.03 0.36 0.73 -0.70 1.20 0.00 0.00 173.24 174.87 1pew s GLU 13 N -0.80 0.89 0.44 5.44 2.56 -0.96 -4.98 118.70 121.29 1pew s GLU 13 Ca 0.12 0.68 -0.22 0.00 0.00 0.00 0.00 54.97 55.55 1pew s GLU 13 Cb -0.11 0.43 -0.09 0.00 2.00 0.00 0.00 34.13 36.36 1pew s GLU 13 CO 0.02 -0.18 1.03 -1.12 -0.56 0.00 0.00 175.26 174.45 1pew s SER 14 N -0.25 6.59 0.43 -1.70 0.01 -1.26 -1.95 113.70 115.56 1pew s SER 14 Ca -0.04 1.95 -0.23 0.00 1.31 0.00 0.00 55.95 58.94 1pew s SER 14 Cb -0.03 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1pew s SER 14 CO 0.04 -0.61 0.72 -2.65 0.41 0.00 0.00 173.24 171.15 1pew n PRO 15 N -0.54 0.83 -0.36 12.44 -0.02 -1.26 -2.80 135.00 143.30 1pew n PRO 15 Ca 0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1pew n PRO 15 Cb 0.51 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1pew n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pew n GLY 16 N 1.57 1.59 3.94 -1.23 0.00 -1.02 -4.80 105.19 105.24 1pew n GLY 16 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1pew n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pew s LYS 17 N -0.25 2.60 -0.25 1.61 1.02 -1.12 -3.96 119.74 119.39 1pew s LYS 17 Ca 0.00 -1.47 -0.13 0.00 0.02 0.00 0.00 55.97 54.39 1pew s LYS 17 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1pew s LYS 17 CO 0.00 -0.31 0.28 0.99 -0.92 0.00 0.00 175.35 175.39 1pew s THR 18 N -2.47 5.26 -0.08 2.17 2.01 -1.26 -1.96 115.64 119.31 1pew s THR 18 Ca 0.51 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 1pew s THR 18 Cb -0.06 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1pew s THR 18 CO 0.30 0.25 -0.04 0.54 -0.69 0.00 0.00 174.62 174.98 1pew s VAL 19 N 1.58 3.92 -0.12 3.82 0.11 -0.12 -4.97 120.40 124.62 1pew s VAL 19 Ca 0.12 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1pew s VAL 19 Cb -0.15 -2.62 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1pew s VAL 19 CO 0.08 0.59 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.33 1pew s THR 20 N -0.75 2.04 -0.21 5.04 2.01 -1.26 -0.41 115.64 122.10 1pew s THR 20 Ca 0.11 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 1pew s THR 20 Cb -0.11 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1pew s THR 20 CO 0.02 0.55 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 1pew s ILE 21 N 0.63 2.99 0.09 1.82 1.01 -0.05 -4.99 121.20 122.69 1pew s ILE 21 Ca -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1pew s ILE 21 Cb -0.16 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1pew s ILE 21 CO 0.02 0.42 -0.05 -0.94 0.00 0.00 0.00 174.94 174.40 1pew s SER 22 N 1.41 4.75 -0.18 3.58 1.04 -1.26 -0.68 113.70 122.35 1pew s SER 22 Ca 0.05 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 1pew s SER 22 Cb -0.14 -1.05 0.05 0.00 0.10 0.00 0.00 66.02 64.98 1pew s SER 22 CO -0.06 0.18 -0.04 0.00 0.98 0.00 0.00 173.24 174.31 1pew s THR 24 N 1.61 5.09 -0.06 0.00 2.01 -0.48 0.17 115.64 123.99 1pew s THR 24 Ca -0.01 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 1pew s THR 24 Cb -0.16 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1pew s THR 24 CO -0.07 0.50 0.53 -0.60 -0.69 0.00 0.00 174.62 174.29 1pew s ARG 25 N -0.07 4.30 0.33 4.92 3.52 -0.56 -0.98 118.95 130.42 1pew s ARG 25 Ca 0.08 0.58 0.23 0.00 -0.13 0.00 0.00 55.73 56.49 1pew s ARG 25 Cb -0.12 -3.38 0.27 0.00 -1.56 0.00 0.00 34.95 30.16 1pew s ARG 25 CO 0.01 0.27 1.43 0.66 -0.81 0.00 0.00 175.30 176.86 1pew h SER 26 N 6.15 0.00 -3.94 -2.12 4.64 -1.66 -3.47 113.55 113.15 1pew h SER 26 Ca -0.43 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 1pew h SER 26 Cb 1.19 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1pew h SER 26 CO 0.72 0.01 0.39 -0.94 -0.87 0.00 0.00 176.83 176.13 1pew s SER 27 N -5.69 -0.51 0.03 4.97 1.04 -1.26 -4.96 113.70 107.32 1pew s SER 27 Ca 0.05 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1pew s SER 27 Cb 0.07 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1pew s SER 27 CO 0.70 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1pew n GLY 27 N 1.58 -2.14 3.70 7.32 0.00 -1.26 -4.72 105.19 109.67 1pew n GLY 27 Ca -0.13 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1pew n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pew s ASN 27 N -4.93 7.25 0.45 1.61 -0.87 -1.26 -4.95 114.94 112.24 1pew s ASN 27 Ca 0.00 1.71 0.14 0.00 -1.57 0.00 0.00 52.86 53.14 1pew s ASN 27 Cb 0.00 -2.57 1.06 0.00 -0.02 0.00 0.00 41.25 39.72 1pew s ASN 27 CO 0.00 -0.38 2.00 -0.29 -2.57 0.00 0.00 177.10 175.86 1pew h ILE 28 N 4.85 0.91 0.00 0.60 6.09 -1.91 -2.15 117.51 125.89 1pew h ILE 28 Ca -0.38 -0.12 -0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1pew h ILE 28 Cb 1.19 0.51 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 1pew h ILE 28 CO 0.80 0.07 -0.07 0.00 -3.07 0.00 0.00 178.15 175.88 1pew h ALA 29 N 1.72 0.98 0.00 0.18 0.00 -1.95 -3.30 119.26 116.89 1pew h ALA 29 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1pew h ALA 29 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pew h ALA 29 CO -0.06 0.09 -0.06 0.77 0.00 0.00 0.00 179.25 179.99 1pew h SER 30 N 0.00 0.00 -4.81 0.00 0.02 -1.79 -3.43 113.55 103.54 1pew h SER 30 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1pew h SER 30 Cb 0.78 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.10 1pew h SER 30 CO 0.01 0.06 -0.52 0.20 -1.14 0.00 0.00 176.83 175.44 1pew s ASN 31 N -6.09 0.03 0.34 3.07 0.01 -1.25 -5.10 114.94 105.95 1pew s ASN 31 Ca -0.04 -0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 1pew s ASN 31 Cb 0.14 0.20 -0.11 0.00 0.41 0.00 0.00 41.25 41.90 1pew s ASN 31 CO 0.56 -0.32 1.38 -0.31 -1.51 0.00 0.00 177.10 176.90 1pew s TYR 32 N -1.19 2.88 -0.21 2.20 2.02 -1.26 -4.86 117.35 116.92 1pew s TYR 32 Ca -0.13 1.30 -0.08 0.00 -0.37 0.00 0.00 57.07 57.79 1pew s TYR 32 Cb -0.07 -3.81 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 1pew s TYR 32 CO 0.01 -2.32 0.09 0.08 -1.57 0.00 0.00 175.55 171.84 1pew s VAL 33 N -1.08 4.81 0.05 0.71 1.01 -1.26 -4.24 120.40 120.40 1pew s VAL 33 Ca 0.51 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1pew s VAL 33 Cb -0.42 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1pew s VAL 33 CO 0.56 0.40 0.05 -1.10 0.00 0.00 0.00 175.10 175.02 1pew s GLN 34 N 0.84 2.85 -0.06 2.72 1.11 0.29 -0.10 119.66 127.30 1pew s GLN 34 Ca 0.05 -0.66 0.05 0.00 0.01 0.00 0.00 55.36 54.80 1pew s GLN 34 Cb -0.13 -2.71 -0.01 0.00 -1.01 0.00 0.00 33.01 29.14 1pew s GLN 34 CO 0.02 0.59 -0.21 -1.58 0.01 0.00 0.00 175.29 174.12 1pew s TRP 35 N -1.29 2.54 0.06 0.91 0.52 0.63 -0.52 118.94 121.79 1pew s TRP 35 Ca 0.26 -0.59 0.09 0.00 0.02 0.00 0.00 56.10 55.88 1pew s TRP 35 Cb -0.12 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1pew s TRP 35 CO 0.18 -0.13 -0.26 0.71 0.02 0.00 0.00 176.95 177.47 1pew s TYR 36 N -0.22 2.33 -0.09 -1.98 2.02 0.96 -0.83 117.35 119.54 1pew s TYR 36 Ca -0.01 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1pew s TYR 36 Cb -0.13 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1pew s TYR 36 CO 0.03 0.17 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.91 1pew s GLN 37 N -1.40 2.98 0.19 -0.62 0.74 -0.43 -1.33 119.66 119.80 1pew s GLN 37 Ca 0.12 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1pew s GLN 37 Cb -0.10 -2.54 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 1pew s GLN 37 CO 0.03 0.43 0.02 -1.14 -0.55 0.00 0.00 175.29 174.08 1pew s GLN 38 N -0.20 1.19 0.59 1.67 0.74 0.06 -2.61 119.66 121.10 1pew s GLN 38 Ca 0.01 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 53.82 1pew s GLN 38 Cb -0.13 -0.27 0.00 0.00 1.10 0.00 0.00 33.01 33.71 1pew s GLN 38 CO 0.03 -0.17 0.00 -1.13 -0.55 0.00 0.00 175.29 173.47 1pew n SER 42 N -0.30 -8.41 -4.75 6.67 3.41 -1.26 -1.00 113.62 108.00 1pew n SER 42 Ca -0.05 1.86 -0.35 0.00 -0.26 0.00 0.00 58.87 60.07 1pew n SER 42 Cb 0.64 -5.05 0.06 0.00 -0.26 0.00 0.00 64.21 59.59 1pew n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pew s ALA 43 N -5.37 2.39 0.31 7.33 0.00 -1.26 -4.97 121.76 120.19 1pew s ALA 43 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1pew s ALA 43 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1pew s ALA 43 CO 0.00 -1.42 1.33 -2.30 0.00 0.00 0.00 175.76 173.38 1pew n PRO 44 N -2.07 2.12 -5.04 0.00 -0.02 -1.26 -5.01 135.00 123.73 1pew n PRO 44 Ca 0.13 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 62.07 1pew n PRO 44 Cb 0.50 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 1pew n PRO 44 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1pew s ILE 45 N -0.75 1.87 -0.01 4.25 -4.36 -1.07 -4.96 121.20 116.17 1pew s ILE 45 Ca 0.59 -1.10 -0.30 0.00 -0.26 0.00 0.00 60.65 59.58 1pew s ILE 45 Cb -0.59 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 1pew s ILE 45 CO 0.58 0.45 1.34 -0.89 0.24 0.00 0.00 174.94 176.66 1pew s THR 46 N -0.63 3.86 -0.07 8.37 2.01 -1.26 -1.31 115.64 126.60 1pew s THR 46 Ca 0.09 1.24 0.10 0.00 0.31 0.00 0.00 61.69 63.43 1pew s THR 46 Cb -0.09 -3.79 -0.15 0.00 0.01 0.00 0.00 72.50 68.48 1pew s THR 46 CO 0.00 0.00 0.12 1.33 -0.69 0.00 0.00 174.62 175.38 1pew n VAL 47 N 4.62 0.44 -4.15 3.82 0.24 -0.01 -4.72 118.33 118.58 1pew n VAL 47 Ca 0.12 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.34 61.89 1pew n VAL 47 Cb 0.44 -0.35 -0.15 0.00 -1.47 0.00 0.00 33.84 32.31 1pew n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pew s ILE 48 N -2.46 0.42 0.12 1.34 -1.09 -1.02 -4.34 121.20 114.18 1pew s ILE 48 Ca -0.05 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 1pew s ILE 48 Cb 0.05 -0.39 -0.04 0.00 -1.58 0.00 0.00 42.46 40.50 1pew s ILE 48 CO 0.44 0.14 -0.10 -0.72 -1.23 0.00 0.00 174.94 173.47 1pew s TYR 49 N 0.13 1.14 -1.31 3.97 1.13 0.27 -0.27 117.35 122.40 1pew s TYR 49 Ca -0.01 -0.72 -0.00 0.00 -1.41 0.00 0.00 57.07 54.93 1pew s TYR 49 Cb -0.05 -0.61 -0.00 0.00 -1.10 0.00 0.00 41.96 40.20 1pew s TYR 49 CO -0.00 0.02 0.67 0.39 -2.51 0.00 0.00 175.55 174.12 1pew n GLU 50 N 0.19 -4.66 0.00 -3.49 1.02 -1.19 -0.44 120.64 112.07 1pew n GLU 50 Ca -0.13 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1pew n GLU 50 Cb 0.59 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 1pew n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pew n ASP 51 N -3.05 0.00 -0.20 1.62 8.00 0.85 -4.10 116.55 119.67 1pew n ASP 51 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1pew n ASP 51 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1pew n ASP 51 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1pew n ASN 52 N 1.90 0.00 -4.69 -2.24 0.23 -1.14 -3.44 115.26 105.87 1pew n ASN 52 Ca 0.00 -1.22 -0.38 0.00 -0.53 0.00 0.00 54.58 52.45 1pew n ASN 52 Cb 0.00 -0.04 -0.07 0.00 -2.08 0.00 0.00 39.78 37.59 1pew n ASN 52 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1pew s GLN 53 N 0.00 4.25 -0.20 -3.83 -1.52 0.42 -4.57 119.66 114.21 1pew s GLN 53 Ca 0.00 0.39 -0.24 0.00 -1.95 0.00 0.00 55.36 53.56 1pew s GLN 53 Cb 0.00 -3.50 -0.02 0.00 -0.22 0.00 0.00 33.01 29.27 1pew s GLN 53 CO 0.00 -0.00 0.77 1.03 -0.25 0.00 0.00 175.29 176.84 1pew s ARG 54 N 1.15 4.24 0.96 2.91 0.52 -1.26 -0.57 118.95 126.91 1pew s ARG 54 Ca 0.24 0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 56.22 1pew s ARG 54 Cb -0.15 -3.59 0.17 0.00 0.52 0.00 0.00 34.95 31.90 1pew s ARG 54 CO 0.09 -0.35 1.09 -1.25 0.02 0.00 0.00 175.30 174.91 1pew s PRO 55 N 2.25 0.68 0.32 3.54 0.04 -1.26 -4.91 135.00 135.66 1pew s PRO 55 Ca 0.35 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1pew s PRO 55 Cb -0.16 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1pew s PRO 55 CO 0.11 -2.72 1.45 0.43 0.04 0.00 0.00 177.00 176.30 1pew n SER 56 N -4.25 3.36 0.00 6.66 7.64 -1.26 -2.24 113.62 123.53 1pew n SER 56 Ca 0.08 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1pew n SER 56 Cb 0.54 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1pew n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pew n GLY 57 N 1.28 1.60 3.65 0.23 0.00 -1.26 -5.04 105.19 105.65 1pew n GLY 57 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1pew n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pew s VAL 58 N -2.37 5.22 0.59 1.61 1.01 -0.95 -5.05 120.40 120.46 1pew s VAL 58 Ca 0.00 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1pew s VAL 58 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1pew s VAL 58 CO 0.00 0.24 1.23 -2.16 0.00 0.00 0.00 175.10 174.41 1pew s PRO 59 N 1.52 2.96 0.58 2.72 0.04 -1.26 -4.88 135.00 136.68 1pew s PRO 59 Ca 0.15 1.90 0.32 0.00 0.04 0.00 0.00 61.00 63.41 1pew s PRO 59 Cb -0.15 -1.97 1.80 0.00 0.04 0.00 0.00 34.50 34.22 1pew s PRO 59 CO 0.08 -1.23 2.21 -0.44 0.04 0.00 0.00 177.00 177.66 1pew h ASP 60 N 0.94 0.00 0.12 6.66 3.32 -1.99 -1.61 116.42 123.86 1pew h ASP 60 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1pew h ASP 60 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1pew h ASP 60 CO 0.55 0.04 0.00 0.08 -1.72 0.00 0.00 179.24 178.19 1pew h ARG 61 N 0.00 0.00 -5.81 3.56 0.11 -1.91 -3.41 114.38 106.92 1pew h ARG 61 Ca -0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.50 1pew h ARG 61 Cb 0.12 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.13 1pew h ARG 61 CO 0.00 0.00 -0.01 -0.06 0.10 0.00 0.00 179.97 180.01 1pew s PHE 62 N -3.54 3.50 -0.03 4.08 0.40 -0.61 -1.33 117.98 120.46 1pew s PHE 62 Ca -0.01 1.01 -0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1pew s PHE 62 Cb 0.07 -2.69 0.03 0.00 0.51 0.00 0.00 43.02 40.94 1pew s PHE 62 CO 0.24 0.06 0.04 0.00 0.70 0.00 0.00 175.22 176.27 1pew s ALA 63 N 0.98 0.05 -0.05 5.36 0.00 -0.15 -4.93 121.76 123.02 1pew s ALA 63 Ca 0.30 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1pew s ALA 63 Cb -0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1pew s ALA 63 CO 0.13 -0.13 0.14 0.20 0.00 0.00 0.00 175.76 176.10 1pew s GLY 64 N 1.13 2.12 0.07 0.00 0.00 -1.26 -0.04 107.32 109.34 1pew s GLY 64 Ca -0.09 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1pew s GLY 64 CO -0.03 -0.57 0.17 -1.35 0.00 0.00 0.00 173.10 171.32 1pew s SER 65 N -1.51 0.13 -0.07 1.64 1.04 0.06 -4.43 113.70 110.55 1pew s SER 65 Ca 0.21 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1pew s SER 65 Cb -0.12 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1pew s SER 65 CO 0.12 -0.65 -0.24 -0.63 0.98 0.00 0.00 173.24 172.82 1pew s ILE 66 N -3.40 1.98 -0.44 -1.02 1.01 -1.26 -0.53 121.20 117.54 1pew s ILE 66 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1pew s ILE 66 Cb 0.03 -1.69 0.12 0.00 0.01 0.00 0.00 42.46 40.92 1pew s ILE 66 CO -0.08 0.55 0.20 -0.62 0.00 0.00 0.00 174.94 174.98 1pew s ASP 66 N 0.07 4.97 0.51 3.58 2.15 0.83 -4.96 116.67 123.81 1pew s ASP 66 Ca -0.10 -2.34 0.17 0.00 0.43 0.00 0.00 52.55 50.71 1pew s ASP 66 Cb -0.15 -1.74 1.26 0.00 -0.30 0.00 0.00 42.92 41.98 1pew s ASP 66 CO 0.06 -0.42 2.12 0.03 -0.17 0.00 0.00 175.17 176.78 1pew h ARG 66 N 7.53 0.00 0.00 4.34 3.08 -1.96 -1.12 114.38 126.25 1pew h ARG 66 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pew h ARG 66 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1pew h ARG 66 CO 0.64 0.05 0.00 0.66 -1.07 0.00 0.00 179.97 180.26 1pew h SER 67 N 0.00 0.00 0.00 7.04 4.64 -1.94 -1.97 113.55 121.32 1pew h SER 67 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pew h SER 67 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pew h SER 67 CO 0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 1pew n SER 68 N -2.52 1.69 -3.97 4.97 3.41 -0.79 -5.00 113.62 111.41 1pew n SER 68 Ca 0.02 -1.77 -0.28 0.00 -0.26 0.00 0.00 58.87 56.58 1pew n SER 68 Cb 0.27 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1pew n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pew n ASN 69 N -0.38 -2.27 -4.17 4.04 5.15 -0.49 -4.79 115.26 112.34 1pew n ASN 69 Ca 0.00 -0.92 -0.12 0.00 -0.60 0.00 0.00 54.58 52.94 1pew n ASN 69 Cb 0.22 -3.36 -0.10 0.00 -0.53 0.00 0.00 39.78 36.01 1pew n ASN 69 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pew s SER 70 N -3.85 1.29 0.13 1.20 1.04 -0.82 -1.50 113.70 111.19 1pew s SER 70 Ca 0.34 -0.91 0.08 0.00 0.48 0.00 0.00 55.95 55.95 1pew s SER 70 Cb -0.18 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1pew s SER 70 CO 0.87 -0.36 -0.15 0.00 0.98 0.00 0.00 173.24 174.58 1pew s ALA 71 N -3.04 2.80 -0.00 5.32 0.00 0.13 -0.12 121.76 126.85 1pew s ALA 71 Ca 0.09 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1pew s ALA 71 Cb 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1pew s ALA 71 CO -0.02 0.58 -0.08 -1.12 0.00 0.00 0.00 175.76 175.12 1pew s SER 72 N -2.29 0.90 -0.20 0.00 0.01 0.30 0.38 113.70 112.80 1pew s SER 72 Ca 0.20 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 1pew s SER 72 Cb -0.10 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1pew s SER 72 CO 0.12 0.07 -0.02 -0.22 0.41 0.00 0.00 173.24 173.60 1pew s LEU 73 N -0.31 3.14 -0.16 2.44 2.96 0.14 -0.76 118.68 126.12 1pew s LEU 73 Ca 0.02 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1pew s LEU 73 Cb -0.04 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1pew s LEU 73 CO -0.00 0.05 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.00 1pew s THR 74 N 1.07 2.32 -0.27 3.68 2.01 0.94 -0.87 115.64 124.52 1pew s THR 74 Ca 0.02 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1pew s THR 74 Cb -0.14 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.43 1pew s THR 74 CO 0.01 0.53 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.83 1pew s ILE 75 N 0.95 3.26 0.36 1.82 1.01 0.46 -0.97 121.20 128.08 1pew s ILE 75 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1pew s ILE 75 Cb -0.15 -2.69 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 1pew s ILE 75 CO -0.04 0.13 0.74 -0.44 0.00 0.00 0.00 174.94 175.33 1pew s SER 76 N 1.38 6.62 -0.99 3.58 0.01 -0.44 -0.94 113.70 122.91 1pew s SER 76 Ca 0.00 1.17 -0.14 0.00 1.31 0.00 0.00 55.95 58.29 1pew s SER 76 Cb -0.17 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1pew s SER 76 CO -0.02 -0.31 0.69 0.61 0.41 0.00 0.00 173.24 174.63 1pew n GLY 77 N -0.89 -1.11 3.51 3.44 0.00 -1.11 -4.81 105.19 104.23 1pew n GLY 77 Ca 0.03 0.48 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 1pew n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pew n LEU 78 N -3.53 1.44 -4.09 0.99 4.77 -0.83 -4.41 117.00 111.34 1pew n LEU 78 Ca -0.16 0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 56.46 1pew n LEU 78 Cb 0.61 -1.23 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1pew n LEU 78 CO 0.66 -2.67 -0.42 -0.54 -1.33 0.00 0.00 177.39 173.09 1pew s LYS 79 N -2.16 0.63 0.46 3.23 1.02 -1.26 -2.44 119.74 119.23 1pew s LYS 79 Ca 0.69 -0.79 0.14 0.00 0.02 0.00 0.00 55.97 56.03 1pew s LYS 79 Cb -0.46 -0.50 1.06 0.00 -0.52 0.00 0.00 37.83 37.41 1pew s LYS 79 CO 0.53 0.10 2.04 1.79 -0.92 0.00 0.00 175.35 178.90 1pew h THR 80 N 4.46 1.09 0.00 2.17 1.35 -1.96 0.11 112.91 120.13 1pew h THR 80 Ca -0.37 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1pew h THR 80 Cb 1.20 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1pew h THR 80 CO 0.41 0.12 -0.02 1.05 -0.25 0.00 0.00 175.52 176.84 1pew h GLU 81 N 0.05 0.00 0.00 4.72 4.11 -2.02 -2.19 114.58 119.25 1pew h GLU 81 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1pew h GLU 81 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pew h GLU 81 CO 0.01 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 178.86 1pew n ASP 82 N -3.93 0.00 -4.63 3.06 8.00 0.03 -4.72 116.55 114.36 1pew n ASP 82 Ca -0.03 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.54 1pew n ASP 82 Cb 0.10 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1pew n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pew s GLU 83 N -3.00 3.69 0.09 -1.24 2.02 -0.83 -4.84 118.70 114.60 1pew s GLU 83 Ca 0.06 2.12 -0.12 0.00 0.02 0.00 0.00 54.97 57.05 1pew s GLU 83 Cb 0.08 -4.20 0.04 0.00 0.10 0.00 0.00 34.13 30.16 1pew s GLU 83 CO 0.23 -1.45 0.58 0.00 0.02 0.00 0.00 175.26 174.64 1pew n ALA 84 N 9.24 -1.54 -2.70 5.21 0.00 -1.26 -5.04 120.51 124.42 1pew n ALA 84 Ca 0.23 -0.56 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 1pew n ALA 84 Cb 0.44 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 20.11 1pew n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pew s ASP 85 N -2.37 6.53 -0.18 0.00 -0.00 -0.17 -3.52 116.67 116.96 1pew s ASP 85 Ca 0.13 0.63 -0.02 0.00 -0.00 0.00 0.00 52.55 53.29 1pew s ASP 85 Cb -0.01 -2.24 -0.01 0.00 -0.00 0.00 0.00 42.92 40.65 1pew s ASP 85 CO 0.03 -0.01 -0.07 -0.31 -0.00 0.00 0.00 175.17 174.81 1pew s TYR 86 N 0.84 2.92 -0.03 4.23 1.51 -1.11 -0.76 117.35 124.94 1pew s TYR 86 Ca 0.21 -0.77 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 1pew s TYR 86 Cb -0.14 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1pew s TYR 86 CO 0.08 -0.37 -0.23 0.71 -1.11 0.00 0.00 175.55 174.62 1pew s TYR 87 N 0.95 2.16 0.36 2.71 2.02 -0.44 -1.88 117.35 123.23 1pew s TYR 87 Ca -0.01 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1pew s TYR 87 Cb -0.15 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1pew s TYR 87 CO 0.00 -0.10 0.54 0.00 -1.57 0.00 0.00 175.55 174.42 1pew s GLN 89 N -4.31 0.80 0.20 0.00 -0.44 0.32 -1.47 119.66 114.76 1pew s GLN 89 Ca 0.43 0.98 0.01 0.00 -2.50 0.00 0.00 55.36 54.28 1pew s GLN 89 Cb -0.10 0.38 -0.00 0.00 -1.64 0.00 0.00 33.01 31.65 1pew s GLN 89 CO 0.35 -0.10 0.24 0.45 0.50 0.00 0.00 175.29 176.72 1pew n SER 90 N 2.80 -0.64 -4.49 6.67 2.88 -0.97 -0.55 113.62 119.32 1pew n SER 90 Ca -0.14 -2.18 -0.26 0.00 -1.33 0.00 0.00 58.87 54.95 1pew n SER 90 Cb 0.55 1.28 -0.10 0.00 -0.75 0.00 0.00 64.21 65.19 1pew n SER 90 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1pew s TYR 91 N -3.36 2.44 -0.51 0.66 2.02 -1.26 -1.96 117.35 115.38 1pew s TYR 91 Ca 0.20 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1pew s TYR 91 Cb 0.00 -1.18 0.17 0.00 -0.40 0.00 0.00 41.96 40.54 1pew s TYR 91 CO 0.14 0.53 0.38 0.34 -1.57 0.00 0.00 175.55 175.37 1pew s ASP 92 N -2.85 2.74 -0.77 2.29 2.15 -0.43 -4.81 116.67 115.01 1pew s ASP 92 Ca 0.24 -3.28 -0.00 0.00 0.43 0.00 0.00 52.55 49.93 1pew s ASP 92 Cb -0.08 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 1pew s ASP 92 CO 0.13 -0.15 0.56 0.00 -0.17 0.00 0.00 175.17 175.53 1pew n ALA 93 N 2.62 -2.68 0.00 3.66 0.00 -1.26 -3.70 120.51 119.15 1pew n ALA 93 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pew n ALA 93 Cb 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1pew n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pew n ARG 94 N -2.47 0.00 -0.74 0.00 1.74 -1.26 -5.07 116.66 108.86 1pew n ARG 94 Ca -0.30 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.44 1pew n ARG 94 Cb 0.65 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.23 1pew n ARG 94 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pew n ASN 95 N 0.16 -2.54 -4.29 0.55 0.23 -1.24 -4.96 115.26 103.16 1pew n ASN 95 Ca 0.00 -0.04 -0.16 0.00 -0.53 0.00 0.00 54.58 53.85 1pew n ASN 95 Cb 0.00 -0.92 -0.10 0.00 -2.08 0.00 0.00 39.78 36.68 1pew n ASN 95 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1pew s VAL 96 N -2.22 0.88 0.00 3.53 -7.23 -1.26 -1.31 120.40 112.80 1pew s VAL 96 Ca 0.53 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1pew s VAL 96 Cb -0.10 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 1pew s VAL 96 CO 0.67 -0.37 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.38 1pew s VAL 97 N -3.52 0.08 0.03 1.32 1.01 -0.83 -4.96 120.40 113.54 1pew s VAL 97 Ca 0.27 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1pew s VAL 97 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1pew s VAL 97 CO 0.07 -0.03 -0.21 -0.36 0.00 0.00 0.00 175.10 174.56 1pew s PHE 98 N -0.18 2.48 0.73 5.22 0.08 -1.26 -2.28 117.98 122.77 1pew s PHE 98 Ca -0.01 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 1pew s PHE 98 Cb -0.01 -1.46 0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1pew s PHE 98 CO -0.00 0.18 1.09 0.20 -0.10 0.00 0.00 175.22 176.59 1pew s GLY 99 N -1.22 1.81 0.19 4.36 0.00 -0.54 -4.36 107.32 107.56 1pew s GLY 99 Ca 0.13 0.33 0.17 0.00 0.00 0.00 0.00 44.72 45.35 1pew s GLY 99 CO 0.03 0.68 1.53 0.61 0.00 0.00 0.00 173.10 175.95 1pew n GLY 100 N -1.08 -0.97 0.00 0.20 0.00 -1.25 -4.68 105.19 97.41 1pew n GLY 100 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1pew n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pew n GLY 101 N -0.67 0.09 2.76 -0.02 0.00 -1.26 -5.04 105.19 101.06 1pew n GLY 101 Ca 0.01 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 1pew n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pew s THR 102 N -2.99 0.05 -0.34 2.61 2.01 -0.79 -4.35 115.64 111.85 1pew s THR 102 Ca 0.00 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 1pew s THR 102 Cb 0.00 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.30 1pew s THR 102 CO 0.00 0.15 0.83 -0.60 -0.69 0.00 0.00 174.62 174.31 1pew s ARG 103 N 1.47 3.87 -0.31 4.92 3.52 0.40 -2.75 118.95 130.08 1pew s ARG 103 Ca -0.04 0.51 -0.22 0.00 -0.13 0.00 0.00 55.73 55.85 1pew s ARG 103 Cb -0.13 -3.77 -0.00 0.00 -1.56 0.00 0.00 34.95 29.49 1pew s ARG 103 CO -0.03 -0.80 0.71 -1.17 -0.81 0.00 0.00 175.30 173.20 1pew s LEU 104 N 3.14 4.12 -0.13 -0.88 2.96 -1.23 -0.61 118.68 126.05 1pew s LEU 104 Ca 0.34 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.74 1pew s LEU 104 Cb -0.13 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1pew s LEU 104 CO 0.15 -0.55 0.04 -0.89 -1.32 0.00 0.00 176.35 173.79 1pew s THR 105 N 2.79 4.66 -0.32 3.68 2.01 -0.66 -4.08 115.64 123.71 1pew s THR 105 Ca 0.29 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1pew s THR 105 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1pew s THR 105 CO 0.12 0.56 0.20 -0.69 -0.69 0.00 0.00 174.62 174.11 1pew s VAL 106 N -0.43 5.00 0.90 3.82 1.01 -1.26 -2.27 120.40 127.18 1pew s VAL 106 Ca 0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1pew s VAL 106 Cb -0.12 -3.53 0.14 0.00 0.00 0.00 0.00 36.38 32.87 1pew s VAL 106 CO 0.02 0.07 1.21 -0.76 0.00 0.00 0.00 175.10 175.64 1pew s LEU 107 N 1.68 2.35 0.00 3.92 1.02 -0.82 -4.92 118.68 121.91 1pew s LEU 107 Ca 0.06 0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.85 1pew s LEU 107 Cb -0.17 -2.91 0.00 0.00 0.02 0.00 0.00 46.19 43.13 1pew s LEU 107 CO 0.09 -2.45 0.00 0.61 0.02 0.00 0.00 176.35 174.62