#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwu s ASN 14 N 0.00 5.30 0.00 1.67 0.01 -1.26 -5.00 114.94 115.66 3bwu s ASN 14 Ca 0.00 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 3bwu s ASN 14 Cb 0.00 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3bwu s ASN 14 CO 0.00 -1.53 0.00 0.61 -1.51 0.00 0.00 177.10 174.67 3bwu n GLY 15 N 0.65 1.02 3.51 0.66 0.00 -1.26 -3.00 105.19 106.76 3bwu n GLY 15 Ca 0.12 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 3bwu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwu s SER 17 N -0.92 7.40 -0.16 0.00 0.15 -0.47 -4.87 113.70 114.85 3bwu s SER 17 Ca 0.13 1.82 -0.02 0.00 0.70 0.00 0.00 55.95 58.58 3bwu s SER 17 Cb -0.11 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 3bwu s SER 17 CO 0.02 -0.17 -0.10 -0.69 1.20 0.00 0.00 173.24 173.50 3bwu s VAL 18 N 0.30 3.19 -0.24 4.45 1.01 -1.26 -0.73 120.40 127.12 3bwu s VAL 18 Ca 0.49 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3bwu s VAL 18 Cb -0.24 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.82 3bwu s VAL 18 CO 0.30 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.81 3bwu s ALA 19 N 0.69 2.24 -0.04 5.51 0.00 -0.44 -4.99 121.76 124.74 3bwu s ALA 19 Ca -0.05 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 3bwu s ALA 19 Cb -0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3bwu s ALA 19 CO 0.02 -1.15 0.37 0.00 0.00 0.00 0.00 175.76 175.00 3bwu s ALA 20 N 1.26 3.69 0.03 0.00 0.00 -1.26 -1.21 121.76 124.27 3bwu s ALA 20 Ca -0.07 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 3bwu s ALA 20 Cb -0.19 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 3bwu s ALA 20 CO -0.06 0.42 0.63 -2.00 0.00 0.00 0.00 175.76 174.75 3bwu s GLU 21 N -0.77 4.35 0.70 0.00 2.12 -0.43 -5.02 118.70 119.66 3bwu s GLU 21 Ca 0.22 0.82 -0.11 0.00 0.36 0.00 0.00 54.97 56.26 3bwu s GLU 21 Cb -0.16 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3bwu s GLU 21 CO 0.11 0.41 1.08 -1.12 -0.54 0.00 0.00 175.26 175.20 3bwu s SER 22 N -0.37 5.33 -0.07 -1.70 0.01 -1.26 -4.71 113.70 110.93 3bwu s SER 22 Ca 0.32 1.02 0.05 0.00 1.31 0.00 0.00 55.95 58.65 3bwu s SER 22 Cb -0.19 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 3bwu s SER 22 CO 0.19 -1.39 -0.24 -0.89 0.41 0.00 0.00 173.24 171.33 3bwu s THR 23 N -3.34 2.14 -0.06 1.44 2.01 -1.26 -4.96 115.64 111.62 3bwu s THR 23 Ca 0.58 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 3bwu s THR 23 Cb -0.11 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3bwu s THR 23 CO 0.50 0.57 0.14 0.21 -0.69 0.00 0.00 174.62 175.35 3bwu s ASN 24 N 0.00 6.21 0.08 3.53 3.84 -1.26 -5.09 114.94 122.26 3bwu s ASN 24 Ca -0.08 0.36 0.00 0.00 0.21 0.00 0.00 52.86 53.34 3bwu s ASN 24 Cb -0.15 -1.94 -0.00 0.00 -0.55 0.00 0.00 41.25 38.60 3bwu s ASN 24 CO 0.05 0.33 0.00 0.49 -2.79 0.00 0.00 177.10 175.19 3bwu n PHE 25 N 1.46 0.17 -2.30 0.43 0.99 -1.26 -5.03 117.46 111.92 3bwu n PHE 25 Ca -0.15 -0.42 -0.34 0.00 -0.00 0.00 0.00 57.45 56.54 3bwu n PHE 25 Cb 0.54 -0.05 -0.04 0.00 -1.00 0.00 0.00 39.48 38.93 3bwu n PHE 25 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3bwu s ILE 40 N -1.38 3.67 0.00 4.37 1.01 -1.26 -5.13 121.20 122.49 3bwu s ILE 40 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3bwu s ILE 40 Cb 0.00 -4.51 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3bwu s ILE 40 CO 0.00 -1.42 0.00 0.61 0.00 0.00 0.00 174.94 174.13 3bwu n GLY 41 N 6.77 2.84 3.74 6.18 0.00 -0.73 -4.98 105.19 119.02 3bwu n GLY 41 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3bwu n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwu s ALA 42 N -2.81 3.64 0.21 4.61 0.00 -1.26 -4.72 121.76 121.42 3bwu s ALA 42 Ca 0.00 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.41 3bwu s ALA 42 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3bwu s ALA 42 CO 0.00 -0.75 -0.21 0.95 0.00 0.00 0.00 175.76 175.74 3bwu s THR 43 N 0.05 2.22 0.54 0.00 -4.23 -1.26 -0.67 115.64 112.29 3bwu s THR 43 Ca 0.60 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3bwu s THR 43 Cb -0.42 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.34 3bwu s THR 43 CO 0.43 -0.25 0.80 0.42 -0.54 0.00 0.00 174.62 175.47 3bwu s THR 44 N -2.02 3.43 0.44 3.99 -4.23 -0.26 -4.98 115.64 112.00 3bwu s THR 44 Ca 0.22 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 60.13 3bwu s THR 44 Cb -0.06 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.38 3bwu s THR 44 CO 0.10 -0.27 1.33 -2.84 -0.54 0.00 0.00 174.62 172.40 3bwu s PRO 45 N -4.81 3.78 0.40 3.99 0.02 -1.26 -4.53 135.00 132.59 3bwu s PRO 45 Ca 0.53 2.20 -0.27 0.00 0.02 0.00 0.00 61.00 63.48 3bwu s PRO 45 Cb -0.10 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.67 3bwu s PRO 45 CO 0.41 -0.66 1.38 1.33 -0.33 0.00 0.00 177.00 179.13 3bwu n VAL 46 N -0.14 2.36 -4.52 3.83 0.24 -1.26 -4.76 118.33 114.08 3bwu n VAL 46 Ca 0.05 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.52 3bwu n VAL 46 Cb 0.44 -1.76 -0.16 0.00 -1.47 0.00 0.00 33.84 30.89 3bwu n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3bwu s VAL 47 N -1.16 2.14 0.41 3.34 1.01 -0.04 -4.95 120.40 121.15 3bwu s VAL 47 Ca 0.58 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 3bwu s VAL 47 Cb -0.49 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.92 3bwu s VAL 47 CO 0.60 0.54 1.00 -2.16 0.00 0.00 0.00 175.10 175.09 3bwu s PRO 48 N 0.93 4.17 0.02 2.72 0.05 -1.26 -1.17 135.00 140.47 3bwu s PRO 48 Ca -0.04 1.33 -0.10 0.00 0.05 0.00 0.00 61.00 62.25 3bwu s PRO 48 Cb -0.15 -2.38 0.01 0.00 0.05 0.00 0.00 34.50 32.03 3bwu s PRO 48 CO -0.04 -0.10 0.20 -0.59 0.05 0.00 0.00 177.00 176.52 3bwu s PHE 49 N -1.87 0.01 0.23 0.56 -0.12 -0.27 -4.92 117.98 111.60 3bwu s PHE 49 Ca 0.60 -0.16 0.11 0.00 -0.05 0.00 0.00 56.93 57.43 3bwu s PHE 49 Cb -0.16 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.17 3bwu s PHE 49 CO 0.21 -0.39 -0.18 -0.98 -0.05 0.00 0.00 175.22 173.83 3bwu s ARG 50 N -2.08 1.75 -0.22 1.99 1.70 -1.26 -0.75 118.95 120.07 3bwu s ARG 50 Ca -0.09 -1.55 0.02 0.00 -0.47 0.00 0.00 55.73 53.64 3bwu s ARG 50 Cb -0.03 -1.91 0.04 0.00 -0.57 0.00 0.00 34.95 32.48 3bwu s ARG 50 CO -0.01 0.38 -0.14 0.42 -1.08 0.00 0.00 175.30 174.87 3bwu s ILE 51 N -2.01 2.00 -0.29 4.99 1.01 0.27 -1.31 121.20 125.85 3bwu s ILE 51 Ca 0.26 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3bwu s ILE 51 Cb -0.07 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3bwu s ILE 51 CO 0.13 0.20 0.23 -0.22 0.00 0.00 0.00 174.94 175.28 3bwu s LEU 52 N 1.24 4.11 -0.51 2.97 2.96 -0.35 -1.10 118.68 128.00 3bwu s LEU 52 Ca -0.03 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 3bwu s LEU 52 Cb -0.17 -2.18 0.08 0.00 0.50 0.00 0.00 46.19 44.43 3bwu s LEU 52 CO -0.08 -0.11 0.53 -0.76 -1.32 0.00 0.00 176.35 174.61 3bwu s LEU 53 N 1.81 5.48 -0.29 -0.68 1.02 0.45 -1.33 118.68 125.14 3bwu s LEU 53 Ca 0.08 -1.29 -0.16 0.00 0.02 0.00 0.00 54.13 52.78 3bwu s LEU 53 Cb -0.16 -2.28 0.16 0.00 0.02 0.00 0.00 46.19 43.93 3bwu s LEU 53 CO 0.11 -0.82 1.04 -0.55 0.02 0.00 0.00 176.35 176.14 3bwu s SER 54 N 2.94 -0.43 0.98 2.29 0.15 0.09 -0.17 113.70 119.55 3bwu s SER 54 Ca 0.08 0.65 -0.12 0.00 0.70 0.00 0.00 55.95 57.26 3bwu s SER 54 Cb -0.24 1.29 0.18 0.00 -1.71 0.00 0.00 66.02 65.54 3bwu s SER 54 CO 0.08 -0.10 1.10 -2.84 1.20 0.00 0.00 173.24 172.67 3bwu s PRO 55 N 1.64 0.60 0.02 5.44 0.02 -1.26 -4.39 135.00 137.07 3bwu s PRO 55 Ca -0.07 0.54 0.05 0.00 0.02 0.00 0.00 61.00 61.55 3bwu s PRO 55 Cb -0.04 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 3bwu s PRO 55 CO -0.15 -2.62 -0.16 0.00 -0.33 0.00 0.00 177.00 173.74 3bwu n GLY 57 N 2.24 -0.26 0.32 0.00 0.00 -0.45 -3.89 105.19 103.14 3bwu n GLY 57 Ca -0.16 -0.43 0.21 0.00 0.00 0.00 0.00 46.02 45.64 3bwu n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3bwu h ASN 58 N -0.62 0.00 -0.46 1.61 2.35 -1.88 -0.74 115.58 115.84 3bwu h ASN 58 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3bwu h ASN 58 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3bwu h ASN 58 CO 0.46 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 3bwu n ALA 59 N -2.10 2.26 -1.65 -0.83 0.00 -1.26 -3.90 120.51 113.02 3bwu n ALA 59 Ca -0.02 -1.17 -0.36 0.00 0.00 0.00 0.00 53.44 51.90 3bwu n ALA 59 Cb 0.14 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 19.04 3bwu n ALA 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3bwu s VAL 60 N -1.02 2.50 0.17 0.00 -7.23 -1.09 -4.93 120.40 108.80 3bwu s VAL 60 Ca 0.31 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 3bwu s VAL 60 Cb 0.16 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 34.07 3bwu s VAL 60 CO 0.22 -0.09 0.00 -1.54 -0.31 0.00 0.00 175.10 173.38 3bwu n SER 61 N -1.93 0.15 -3.67 4.85 3.41 -1.26 -4.14 113.62 111.04 3bwu n SER 61 Ca 0.14 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 3bwu n SER 61 Cb 0.50 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 3bwu n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bwu s ALA 62 N -2.00 -0.90 0.02 7.33 0.00 -1.26 -0.72 121.76 124.24 3bwu s ALA 62 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3bwu s ALA 62 Cb 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3bwu s ALA 62 CO 0.00 -0.54 -0.07 0.14 0.00 0.00 0.00 175.76 175.30 3bwu s VAL 63 N -3.13 0.47 -0.25 0.00 -7.23 -0.29 -1.58 120.40 108.39 3bwu s VAL 63 Ca -0.01 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.28 3bwu s VAL 63 Cb 0.01 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 3bwu s VAL 63 CO -0.07 -0.19 0.37 -0.54 -0.31 0.00 0.00 175.10 174.36 3bwu s LYS 64 N -0.99 4.07 0.05 4.82 1.02 0.15 -0.43 119.74 128.43 3bwu s LYS 64 Ca -0.05 0.07 0.09 0.00 0.02 0.00 0.00 55.97 56.09 3bwu s LYS 64 Cb -0.07 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 3bwu s LYS 64 CO 0.00 -0.18 -0.23 0.14 -0.92 0.00 0.00 175.35 174.16 3bwu s VAL 65 N 1.75 2.39 0.22 3.17 -7.23 -1.26 -0.75 120.40 118.70 3bwu s VAL 65 Ca 0.16 -1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 58.78 3bwu s VAL 65 Cb -0.15 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.85 3bwu s VAL 65 CO 0.09 0.33 0.62 -0.83 -0.31 0.00 0.00 175.10 174.99 3bwu s GLY 66 N -1.39 -0.21 -0.07 2.32 0.00 -0.84 -4.91 107.32 102.22 3bwu s GLY 66 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.80 3bwu s GLY 66 CO 0.04 -0.10 -0.18 -1.36 0.00 0.00 0.00 173.10 171.50 3bwu s PHE 67 N -3.86 2.62 0.13 1.90 0.08 -1.26 -0.81 117.98 116.78 3bwu s PHE 67 Ca 0.08 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.77 3bwu s PHE 67 Cb -0.03 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3bwu s PHE 67 CO -0.01 -0.03 -0.17 0.95 -0.10 0.00 0.00 175.22 175.86 3bwu s THR 68 N -0.34 1.62 -2.34 0.64 -4.23 0.51 -0.90 115.64 110.61 3bwu s THR 68 Ca 0.02 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3bwu s THR 68 Cb -0.13 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3bwu s THR 68 CO 0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3bwu n GLY 69 N 0.57 -1.86 3.65 3.99 0.00 -1.26 -0.79 105.19 109.49 3bwu n GLY 69 Ca -0.16 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 3bwu n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwu s VAL 70 N -2.15 4.53 0.30 1.61 1.01 -1.26 -4.85 120.40 119.59 3bwu s VAL 70 Ca 0.00 1.81 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 3bwu s VAL 70 Cb 0.00 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 3bwu s VAL 70 CO 0.00 -0.32 1.06 0.00 0.00 0.00 0.00 175.10 175.84 3bwu s ALA 71 N 3.49 3.31 0.40 5.51 0.00 -1.26 -0.73 121.76 132.48 3bwu s ALA 71 Ca 0.47 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 3bwu s ALA 71 Cb -0.15 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3bwu s ALA 71 CO 0.12 -0.10 1.48 0.34 0.00 0.00 0.00 175.76 177.60 3bwu s ASP 72 N -1.12 6.21 0.51 0.00 2.15 0.95 -4.54 116.67 120.83 3bwu s ASP 72 Ca 0.47 3.04 0.24 0.00 0.43 0.00 0.00 52.55 56.73 3bwu s ASP 72 Cb -0.28 -2.67 1.37 0.00 -0.30 0.00 0.00 42.92 41.04 3bwu s ASP 72 CO 0.36 -0.96 2.07 0.77 -0.17 0.00 0.00 175.17 177.24 3bwu h SER 73 N 2.82 0.00 0.87 -0.34 4.64 -1.94 -2.45 113.55 117.15 3bwu h SER 73 Ca -0.51 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.69 3bwu h SER 73 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3bwu h SER 73 CO 0.63 0.12 -1.21 0.45 -0.87 0.00 0.00 176.83 175.96 3bwu h HIS 74 N 0.00 0.00 -2.53 4.77 3.86 -1.97 -3.45 115.15 115.82 3bwu h HIS 74 Ca -0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 3bwu h HIS 74 Cb 0.30 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.43 3bwu h HIS 74 CO 0.00 0.44 -0.57 1.21 0.86 0.00 0.00 177.93 179.87 3bwu s ASN 75 N -5.78 0.86 0.54 2.45 3.84 -0.92 -5.03 114.94 110.90 3bwu s ASN 75 Ca -0.02 0.11 0.29 0.00 0.21 0.00 0.00 52.86 53.46 3bwu s ASN 75 Cb 0.09 0.60 1.54 0.00 -0.55 0.00 0.00 41.25 42.92 3bwu s ASN 75 CO 0.80 -0.29 2.10 0.00 -2.79 0.00 0.00 177.10 176.91 3bwu h ALA 76 N 8.28 1.26 -0.24 1.71 0.00 -1.88 -1.42 119.26 126.97 3bwu h ALA 76 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bwu h ALA 76 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bwu h ALA 76 CO 0.23 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.69 3bwu n ASN 77 N -3.58 2.60 -4.83 0.00 3.02 -1.26 -4.62 115.26 106.59 3bwu n ASN 77 Ca -0.02 -1.86 -0.36 0.00 -0.03 0.00 0.00 54.58 52.31 3bwu n ASN 77 Cb 0.22 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 3bwu n ASN 77 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bwu s LEU 78 N -1.61 4.17 0.00 3.41 1.43 -0.54 -4.51 118.68 121.03 3bwu s LEU 78 Ca 0.35 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3bwu s LEU 78 Cb 0.20 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3bwu s LEU 78 CO 0.29 0.40 1.03 -0.22 0.23 0.00 0.00 176.35 178.09 3bwu s LEU 79 N -1.01 4.36 0.34 1.79 2.96 0.84 -0.04 118.68 127.93 3bwu s LEU 79 Ca 0.15 1.73 -0.27 0.00 -0.22 0.00 0.00 54.13 55.52 3bwu s LEU 79 Cb -0.12 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3bwu s LEU 79 CO 0.04 -0.33 1.10 0.00 -1.32 0.00 0.00 176.35 175.84 3bwu s ALA 80 N 1.12 3.25 0.48 5.97 0.00 0.10 -0.91 121.76 131.78 3bwu s ALA 80 Ca 0.53 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 3bwu s ALA 80 Cb -0.23 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3bwu s ALA 80 CO 0.27 -0.26 0.98 -0.51 0.00 0.00 0.00 175.76 176.24 3bwu s LEU 81 N -2.06 3.77 0.34 0.00 1.43 -1.26 -4.75 118.68 116.16 3bwu s LEU 81 Ca 0.51 1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 3bwu s LEU 81 Cb -0.29 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.30 3bwu s LEU 81 CO 0.36 -0.54 1.43 -1.61 0.23 0.00 0.00 176.35 176.23 3bwu s GLU 82 N -3.61 4.20 -0.42 1.70 2.02 -0.03 -4.98 118.70 117.59 3bwu s GLU 82 Ca 0.61 2.44 -0.11 0.00 0.02 0.00 0.00 54.97 57.93 3bwu s GLU 82 Cb -0.10 -3.02 0.06 0.00 0.10 0.00 0.00 34.13 31.17 3bwu s GLU 82 CO 0.23 -0.42 0.27 0.54 0.02 0.00 0.00 175.26 175.90 3bwu s ASN 83 N -0.16 5.76 0.38 -0.19 2.20 -1.26 -4.78 114.94 116.88 3bwu s ASN 83 Ca 0.53 -1.34 0.04 0.00 -0.94 0.00 0.00 52.86 51.15 3bwu s ASN 83 Cb -0.44 -2.03 -0.02 0.00 -2.00 0.00 0.00 41.25 36.76 3bwu s ASN 83 CO 0.57 -0.52 0.16 0.35 -2.94 0.00 0.00 177.10 174.72 3bwu n THR 84 N 4.99 0.00 0.07 0.54 -2.24 -1.26 -5.01 114.28 111.38 3bwu n THR 84 Ca -0.11 -2.27 0.06 0.00 -2.27 0.00 0.00 64.05 59.46 3bwu n THR 84 Cb 0.44 0.87 0.49 0.00 -2.10 0.00 0.00 70.33 70.03 3bwu n THR 84 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3bwu h VAL 85 N 1.71 1.06 -0.40 2.28 3.04 -2.03 -2.68 116.25 119.23 3bwu h VAL 85 Ca -0.29 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3bwu h VAL 85 Cb 1.15 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 3bwu h VAL 85 CO 0.45 0.07 0.00 -1.20 -1.01 0.00 0.00 177.57 175.88 3bwu n SER 86 N -4.49 3.38 -4.82 3.17 7.64 -1.26 -5.03 113.62 112.21 3bwu n SER 86 Ca 0.02 -2.21 -0.32 0.00 1.01 0.00 0.00 58.87 57.36 3bwu n SER 86 Cb 0.08 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 3bwu n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bwu s ALA 87 N -1.39 2.83 0.70 -0.43 0.00 -1.01 -0.89 121.76 121.56 3bwu s ALA 87 Ca 0.32 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 3bwu s ALA 87 Cb 0.19 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.15 3bwu s ALA 87 CO 0.17 -0.73 1.05 0.00 0.00 0.00 0.00 175.76 176.26 3bwu s ALA 88 N -2.61 2.98 0.17 0.00 0.00 -0.66 -4.48 121.76 117.16 3bwu s ALA 88 Ca 0.61 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 3bwu s ALA 88 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3bwu s ALA 88 CO 0.39 -1.18 0.44 -1.54 0.00 0.00 0.00 175.76 173.88 3bwu s SER 89 N -4.41 -0.18 0.00 0.00 1.04 -0.82 -4.87 113.70 104.46 3bwu s SER 89 Ca 0.58 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3bwu s SER 89 Cb -0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3bwu s SER 89 CO 0.49 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3bwu n GLY 90 N -0.29 0.71 3.09 7.32 0.00 -1.26 -1.51 105.19 113.26 3bwu n GLY 90 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3bwu n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwu s LEU 91 N 0.00 2.12 0.25 0.99 1.43 -1.26 0.19 118.68 122.39 3bwu s LEU 91 Ca 0.00 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3bwu s LEU 91 Cb 0.00 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 3bwu s LEU 91 CO 0.00 0.05 0.05 -0.83 0.23 0.00 0.00 176.35 175.85 3bwu s GLY 92 N -0.80 1.66 -0.22 -3.19 0.00 -0.46 -4.46 107.32 99.84 3bwu s GLY 92 Ca 0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 44.72 42.81 3bwu s GLY 92 CO 0.00 -1.64 0.14 -0.42 0.00 0.00 0.00 173.10 171.19 3bwu s ILE 93 N -3.57 5.35 -0.15 0.90 1.01 -0.08 -0.83 121.20 123.82 3bwu s ILE 93 Ca 0.33 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 3bwu s ILE 93 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3bwu s ILE 93 CO 0.11 0.40 0.12 -1.58 0.00 0.00 0.00 174.94 173.99 3bwu s GLN 94 N 0.70 3.69 -0.09 2.79 0.74 0.23 -0.11 119.66 127.61 3bwu s GLN 94 Ca 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.28 3bwu s GLN 94 Cb -0.12 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 3bwu s GLN 94 CO 0.01 0.59 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.82 3bwu s LEU 95 N -0.49 3.47 0.09 3.68 1.43 -1.26 -1.53 118.68 124.07 3bwu s LEU 95 Ca 0.12 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3bwu s LEU 95 Cb -0.12 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3bwu s LEU 95 CO 0.02 0.35 -0.16 -0.76 0.23 0.00 0.00 176.35 176.02 3bwu s LEU 96 N -0.72 2.31 0.00 1.79 2.01 0.17 -0.51 118.68 123.73 3bwu s LEU 96 Ca 0.11 -0.68 -0.08 0.00 0.01 0.00 0.00 54.13 53.49 3bwu s LEU 96 Cb -0.12 -0.65 0.12 0.00 0.01 0.00 0.00 46.19 45.55 3bwu s LEU 96 CO 0.02 -0.04 0.69 -0.46 1.01 0.00 0.00 176.35 177.56 3bwu n ASN 97 N 1.04 0.10 0.27 2.29 0.23 -0.32 -1.06 115.26 117.81 3bwu n ASN 97 Ca -0.19 -1.28 0.13 0.00 -0.53 0.00 0.00 54.58 52.71 3bwu n ASN 97 Cb 0.55 -0.52 0.76 0.00 -2.08 0.00 0.00 39.78 38.49 3bwu n ASN 97 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3bwu h GLU 98 N 0.00 0.00 -0.22 -3.83 4.81 -1.85 0.13 114.58 113.62 3bwu h GLU 98 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3bwu h GLU 98 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3bwu h GLU 98 CO 0.16 0.09 0.00 1.04 -0.73 0.00 0.00 179.01 179.57 3bwu n GLN 99 N -3.72 1.61 -2.25 1.92 6.02 -1.26 -4.90 117.38 114.79 3bwu n GLN 99 Ca -0.02 -0.93 -0.20 0.00 -0.01 0.00 0.00 57.00 55.83 3bwu n GLN 99 Cb 0.20 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.17 3bwu n GLN 99 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3bwu n GLN 100 N 0.22 -1.58 -3.35 -1.09 6.02 0.46 -5.00 117.38 113.05 3bwu n GLN 100 Ca 0.11 1.02 -0.35 0.00 -0.01 0.00 0.00 57.00 57.77 3bwu n GLN 100 Cb 0.24 -5.60 -0.06 0.00 1.02 0.00 0.00 30.24 25.84 3bwu n GLN 100 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bwu s ASN 101 N -2.20 6.84 0.27 1.08 0.02 -1.26 -4.82 114.94 114.87 3bwu s ASN 101 Ca 0.00 1.09 -0.30 0.00 -1.02 0.00 0.00 52.86 52.63 3bwu s ASN 101 Cb 0.00 -2.29 -0.11 0.00 0.02 0.00 0.00 41.25 38.87 3bwu s ASN 101 CO 0.00 0.11 1.54 -1.58 0.02 0.00 0.00 177.10 177.20 3bwu s GLN 102 N -1.90 4.17 -0.10 -0.60 0.74 -1.26 -1.17 119.66 119.53 3bwu s GLN 102 Ca 0.37 2.48 -0.19 0.00 0.05 0.00 0.00 55.36 58.07 3bwu s GLN 102 Cb -0.15 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 3bwu s GLN 102 CO 0.19 -0.56 0.52 0.42 -0.55 0.00 0.00 175.29 175.32 3bwu s ILE 103 N 0.04 5.15 -0.24 -2.34 1.01 0.33 -4.83 121.20 120.33 3bwu s ILE 103 Ca 0.62 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 3bwu s ILE 103 Cb -0.46 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3bwu s ILE 103 CO 0.46 0.31 1.39 -2.84 0.00 0.00 0.00 174.94 174.26 3bwu s PRO 104 N 0.63 3.96 0.25 2.79 0.02 -1.26 -4.71 135.00 136.67 3bwu s PRO 104 Ca 0.28 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 3bwu s PRO 104 Cb -0.16 -3.90 -0.09 0.00 0.02 0.00 0.00 34.50 30.37 3bwu s PRO 104 CO 0.12 -1.07 1.30 -1.17 -0.33 0.00 0.00 177.00 175.85 3bwu s LEU 105 N 4.41 4.43 -1.79 -5.54 2.96 -1.26 -3.22 118.68 118.66 3bwu s LEU 105 Ca 0.61 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 57.02 3bwu s LEU 105 Cb -0.21 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.86 3bwu s LEU 105 CO 0.23 -0.51 0.00 0.59 -1.32 0.00 0.00 176.35 175.34 3bwu n ASN 106 N 1.89 -5.38 -4.76 3.68 3.02 -0.08 -4.88 115.26 108.74 3bwu n ASN 106 Ca 0.04 0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 3bwu n ASN 106 Cb 0.42 -4.48 -0.01 0.00 -0.61 0.00 0.00 39.78 35.10 3bwu n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bwu s ALA 107 N -2.84 3.61 0.62 5.41 0.00 -1.20 -4.99 121.76 122.38 3bwu s ALA 107 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 3bwu s ALA 107 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3bwu s ALA 107 CO 0.00 -0.89 1.13 -1.25 0.00 0.00 0.00 175.76 174.75 3bwu s PRO 108 N -1.27 2.94 0.40 0.00 0.04 -1.26 -4.91 135.00 130.94 3bwu s PRO 108 Ca 0.56 1.51 0.16 0.00 0.04 0.00 0.00 61.00 63.27 3bwu s PRO 108 Cb -0.44 -1.96 1.04 0.00 0.04 0.00 0.00 34.50 33.18 3bwu s PRO 108 CO 0.53 -1.16 1.84 0.77 0.04 0.00 0.00 177.00 179.02 3bwu h SER 109 N 0.43 0.46 0.20 6.66 0.02 -1.96 0.18 113.55 119.55 3bwu h SER 109 Ca -0.48 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3bwu h SER 109 Cb 1.26 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3bwu h SER 109 CO 0.55 0.17 -0.02 0.77 -1.14 0.00 0.00 176.83 177.16 3bwu h SER 110 N 0.45 0.00 0.24 3.07 4.64 -2.03 -2.10 113.55 117.82 3bwu h SER 110 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3bwu h SER 110 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3bwu h SER 110 CO -0.21 0.02 -0.50 0.00 -0.87 0.00 0.00 176.83 175.27 3bwu n ALA 111 N -2.15 3.60 -2.53 5.18 0.00 0.64 -4.93 120.51 120.33 3bwu n ALA 111 Ca -0.02 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 3bwu n ALA 111 Cb 0.13 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 3bwu n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bwu s LEU 112 N -2.75 4.44 0.51 0.00 1.43 -0.79 -5.00 118.68 116.52 3bwu s LEU 112 Ca 0.16 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3bwu s LEU 112 Cb 0.18 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3bwu s LEU 112 CO 0.65 0.28 0.76 -0.94 0.23 0.00 0.00 176.35 177.32 3bwu s SER 113 N -1.28 5.59 0.04 2.29 1.04 -1.26 -5.03 113.70 115.09 3bwu s SER 113 Ca 0.26 0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.73 3bwu s SER 113 Cb -0.16 -1.36 -0.05 0.00 0.10 0.00 0.00 66.02 64.55 3bwu s SER 113 CO 0.14 -0.93 0.75 0.26 0.98 0.00 0.00 173.24 174.45 3bwu s TRP 114 N -2.72 3.73 -0.30 5.02 0.52 -1.26 -4.44 118.94 119.48 3bwu s TRP 114 Ca 0.52 1.45 -0.13 0.00 0.02 0.00 0.00 56.10 57.97 3bwu s TRP 114 Cb -0.10 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 3bwu s TRP 114 CO 0.40 0.27 0.25 0.99 0.02 0.00 0.00 176.95 178.87 3bwu s THR 115 N -0.03 5.27 0.35 2.01 2.01 0.43 -4.95 115.64 120.72 3bwu s THR 115 Ca 0.38 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 3bwu s THR 115 Cb -0.20 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 3bwu s THR 115 CO 0.22 0.12 1.11 0.42 -0.69 0.00 0.00 174.62 175.81 3bwu s THR 116 N 1.82 3.44 0.05 -0.82 -4.23 -1.26 -1.14 115.64 113.50 3bwu s THR 116 Ca 0.08 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.95 3bwu s THR 116 Cb -0.16 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 3bwu s THR 116 CO 0.11 0.18 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.43 3bwu s LEU 117 N -2.07 2.61 -0.32 4.79 1.43 0.11 -4.92 118.68 120.31 3bwu s LEU 117 Ca 0.52 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 3bwu s LEU 117 Cb -0.29 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3bwu s LEU 117 CO 0.37 0.25 1.18 -0.89 0.23 0.00 0.00 176.35 177.49 3bwu s THR 118 N -0.95 4.32 0.23 5.49 2.01 -1.26 -4.65 115.64 120.83 3bwu s THR 118 Ca 0.15 1.50 -0.32 0.00 0.31 0.00 0.00 61.69 63.33 3bwu s THR 118 Cb -0.10 -4.32 -0.13 0.00 0.01 0.00 0.00 72.50 67.96 3bwu s THR 118 CO 0.06 -0.52 1.61 -2.65 -0.69 0.00 0.00 174.62 172.42 3bwu n PRO 119 N 7.14 2.51 -0.96 4.92 -0.02 -1.26 -2.60 135.00 144.73 3bwu n PRO 119 Ca 0.13 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3bwu n PRO 119 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3bwu n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bwu n GLY 120 N 3.05 0.40 3.36 -1.23 0.00 -0.30 -4.90 105.19 105.58 3bwu n GLY 120 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3bwu n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bwu s LYS 121 N -0.60 1.41 0.37 1.61 -0.14 -1.07 -4.61 119.74 116.70 3bwu s LYS 121 Ca 0.00 -1.71 -0.28 0.00 -1.36 0.00 0.00 55.97 52.62 3bwu s LYS 121 Cb 0.00 -0.82 -0.10 0.00 -1.68 0.00 0.00 37.83 35.23 3bwu s LYS 121 CO 0.00 -0.04 1.41 -2.14 -0.76 0.00 0.00 175.35 173.82 3bwu s PRO 122 N -3.81 4.17 -0.11 -1.68 0.02 -1.26 -4.14 135.00 128.18 3bwu s PRO 122 Ca 0.28 2.42 -0.00 0.00 0.02 0.00 0.00 61.00 63.72 3bwu s PRO 122 Cb 0.05 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.61 3bwu s PRO 122 CO 0.10 -0.42 -0.09 -0.80 -0.33 0.00 0.00 177.00 175.46 3bwu s ASN 123 N -0.31 2.17 -0.16 2.53 0.01 0.76 -4.84 114.94 115.10 3bwu s ASN 123 Ca 0.52 -0.32 -0.06 0.00 -0.71 0.00 0.00 52.86 52.29 3bwu s ASN 123 Cb -0.44 -0.87 -0.04 0.00 0.41 0.00 0.00 41.25 40.32 3bwu s ASN 123 CO 0.59 -0.09 0.05 -0.89 -1.51 0.00 0.00 177.10 175.24 3bwu s THR 124 N 1.56 4.66 -0.18 1.60 2.01 -1.26 -0.41 115.64 123.61 3bwu s THR 124 Ca 0.03 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3bwu s THR 124 Cb -0.13 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3bwu s THR 124 CO -0.07 0.49 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 3bwu s LEU 125 N 0.14 3.10 -0.13 4.42 1.43 -0.26 -4.99 118.68 122.38 3bwu s LEU 125 Ca 0.04 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3bwu s LEU 125 Cb -0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3bwu s LEU 125 CO 0.01 0.09 -0.05 0.20 0.23 0.00 0.00 176.35 176.83 3bwu s ASN 126 N 0.83 4.75 0.28 2.29 0.01 -1.26 -0.57 114.94 121.27 3bwu s ASN 126 Ca -0.01 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3bwu s ASN 126 Cb -0.15 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.82 3bwu s ASN 126 CO 0.02 0.22 0.13 -0.36 -1.51 0.00 0.00 177.10 175.59 3bwu s PHE 127 N 0.07 1.55 0.08 2.20 0.08 0.07 -2.66 117.98 119.37 3bwu s PHE 127 Ca -0.01 -1.27 0.05 0.00 0.12 0.00 0.00 56.93 55.82 3bwu s PHE 127 Cb -0.14 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 3bwu s PHE 127 CO 0.03 -0.43 -0.14 0.71 -0.10 0.00 0.00 175.22 175.29 3bwu s TYR 128 N -3.71 1.24 0.09 0.36 2.02 -0.22 -1.12 117.35 116.02 3bwu s TYR 128 Ca 0.37 -0.49 0.09 0.00 -0.37 0.00 0.00 57.07 56.66 3bwu s TYR 128 Cb 0.06 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 3bwu s TYR 128 CO 0.15 0.07 -0.22 0.00 -1.57 0.00 0.00 175.55 173.98 3bwu s ALA 129 N -1.50 1.92 0.25 3.71 0.00 -0.31 -0.65 121.76 125.17 3bwu s ALA 129 Ca 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 3bwu s ALA 129 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3bwu s ALA 129 CO 0.02 0.41 0.47 -0.98 0.00 0.00 0.00 175.76 175.68 3bwu s ARG 130 N -1.77 1.54 -0.05 0.00 1.70 -0.58 -0.87 118.95 118.92 3bwu s ARG 130 Ca 0.08 -1.28 -0.03 0.00 -0.47 0.00 0.00 55.73 54.04 3bwu s ARG 130 Cb -0.10 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 3bwu s ARG 130 CO 0.04 -0.64 0.09 -0.51 -1.08 0.00 0.00 175.30 173.20 3bwu s LEU 131 N -3.03 4.01 -0.02 -1.89 1.43 -1.26 -0.60 118.68 117.32 3bwu s LEU 131 Ca 0.23 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3bwu s LEU 131 Cb -0.00 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 3bwu s LEU 131 CO 0.09 0.33 -0.11 -0.32 0.23 0.00 0.00 176.35 176.57 3bwu s MET 132 N -1.40 1.01 0.16 1.70 -2.45 -0.01 -1.10 119.30 117.21 3bwu s MET 132 Ca 0.19 -0.38 -0.30 0.00 -1.25 0.00 0.00 55.69 53.95 3bwu s MET 132 Cb -0.12 -0.95 -0.08 0.00 1.25 0.00 0.00 34.83 34.94 3bwu s MET 132 CO 0.09 0.19 1.18 0.00 1.05 0.00 0.00 175.02 177.53 3bwu s ALA 133 N -0.06 3.42 -0.09 4.11 0.00 0.15 -1.36 121.76 127.93 3bwu s ALA 133 Ca 0.01 0.91 0.10 0.00 0.00 0.00 0.00 51.96 52.97 3bwu s ALA 133 Cb -0.07 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 3bwu s ALA 133 CO 0.00 -0.35 0.09 0.25 0.00 0.00 0.00 175.76 175.75 3bwu n THR 134 N 2.69 0.57 -3.84 0.00 -2.24 0.50 -1.77 114.28 110.19 3bwu n THR 134 Ca 0.05 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3bwu n THR 134 Cb 0.45 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 3bwu n THR 134 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3bwu s GLN 135 N -2.38 0.03 -0.11 -0.78 -0.21 -0.86 -4.82 119.66 110.53 3bwu s GLN 135 Ca -0.05 0.09 -0.00 0.00 0.02 0.00 0.00 55.36 55.42 3bwu s GLN 135 Cb 0.04 -0.19 -0.02 0.00 1.00 0.00 0.00 33.01 33.84 3bwu s GLN 135 CO 0.45 -0.09 -0.09 0.14 -2.12 0.00 0.00 175.29 173.57 3bwu s VAL 136 N 0.64 3.42 0.22 1.09 -7.23 -1.26 -2.42 120.40 114.85 3bwu s VAL 136 Ca -0.05 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3bwu s VAL 136 Cb -0.08 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.34 3bwu s VAL 136 CO -0.02 0.54 0.95 -2.84 -0.31 0.00 0.00 175.10 173.42 3bwu s PRO 137 N -0.05 4.83 0.37 4.82 0.02 -1.26 -5.07 135.00 138.67 3bwu s PRO 137 Ca -0.01 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.23 3bwu s PRO 137 Cb -0.14 -3.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 3bwu s PRO 137 CO 0.03 0.46 1.27 0.08 -0.33 0.00 0.00 177.00 178.52 3bwu s VAL 138 N -0.98 2.77 -0.10 3.83 1.01 -1.02 -4.89 120.40 121.02 3bwu s VAL 138 Ca 0.42 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 3bwu s VAL 138 Cb -0.26 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3bwu s VAL 138 CO 0.32 0.13 0.01 0.42 0.00 0.00 0.00 175.10 175.97 3bwu s THR 139 N -1.24 4.37 0.96 3.92 -4.23 -0.57 -5.00 115.64 113.86 3bwu s THR 139 Ca 0.54 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 3bwu s THR 139 Cb -0.37 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 70.78 3bwu s THR 139 CO 0.48 0.59 1.10 0.00 -0.54 0.00 0.00 174.62 176.25 3bwu s ALA 140 N -0.71 1.20 0.00 3.99 0.00 -1.26 -1.95 121.76 123.03 3bwu s ALA 140 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3bwu s ALA 140 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3bwu s ALA 140 CO 0.02 -2.64 0.00 0.41 0.00 0.00 0.00 175.76 173.55 3bwu n GLY 141 N -1.23 2.42 3.76 0.00 0.00 -1.26 -4.11 105.19 104.76 3bwu n GLY 141 Ca 0.06 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3bwu n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bwu n HIS 142 N -1.65 2.80 -3.95 1.61 8.25 -0.07 -3.85 115.22 118.36 3bwu n HIS 142 Ca 0.00 0.45 -0.33 0.00 -0.26 0.00 0.00 57.72 57.58 3bwu n HIS 142 Cb 0.00 -2.49 -0.14 0.00 1.12 0.00 0.00 29.99 28.48 3bwu n HIS 142 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3bwu s ILE 143 N -1.15 2.66 0.02 1.59 1.01 -1.26 -1.66 121.20 122.40 3bwu s ILE 143 Ca 0.57 -1.90 0.02 0.00 0.00 0.00 0.00 60.65 59.34 3bwu s ILE 143 Cb -0.47 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 3bwu s ILE 143 CO 0.61 -0.38 -0.07 0.20 0.00 0.00 0.00 174.94 175.30 3bwu s ASN 144 N 1.24 0.86 0.17 3.58 -0.87 -1.26 -4.92 114.94 113.73 3bwu s ASN 144 Ca 0.02 -0.30 -0.18 0.00 -1.57 0.00 0.00 52.86 50.84 3bwu s ASN 144 Cb -0.20 -0.04 0.04 0.00 -0.02 0.00 0.00 41.25 41.02 3bwu s ASN 144 CO -0.05 -0.03 0.49 0.00 -2.57 0.00 0.00 177.10 174.95 3bwu s ALA 145 N -0.64 -1.03 0.09 0.60 0.00 -1.26 -0.85 121.76 118.67 3bwu s ALA 145 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.93 3bwu s ALA 145 Cb -0.06 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3bwu s ALA 145 CO 0.00 -0.74 -0.13 0.95 0.00 0.00 0.00 175.76 175.84 3bwu s THR 146 N -3.83 1.09 0.21 0.00 -4.23 -1.26 -5.03 115.64 102.59 3bwu s THR 146 Ca 0.06 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.00 3bwu s THR 146 Cb 0.00 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.63 3bwu s THR 146 CO -0.07 -0.35 0.40 0.00 -0.54 0.00 0.00 174.62 174.05 3bwu s ALA 147 N -1.73 -0.18 -0.10 3.99 0.00 -1.26 -4.71 121.76 117.78 3bwu s ALA 147 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3bwu s ALA 147 Cb -0.07 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.04 3bwu s ALA 147 CO 0.02 -0.76 -0.17 0.99 0.00 0.00 0.00 175.76 175.84 3bwu s THR 148 N -3.99 1.60 -0.26 0.00 2.01 0.03 -4.98 115.64 110.06 3bwu s THR 148 Ca 0.20 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 3bwu s THR 148 Cb 0.01 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 3bwu s THR 148 CO 0.04 0.46 0.17 0.12 -0.69 0.00 0.00 174.62 174.72 3bwu s PHE 149 N 0.69 3.27 -0.14 4.92 2.19 -1.26 -0.36 117.98 127.28 3bwu s PHE 149 Ca -0.13 0.17 -0.05 0.00 0.33 0.00 0.00 56.93 57.25 3bwu s PHE 149 Cb -0.16 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 3bwu s PHE 149 CO 0.03 -0.05 0.03 0.99 1.83 0.00 0.00 175.22 178.05 3bwu s THR 150 N 1.41 4.54 -0.28 0.12 2.01 0.01 -4.96 115.64 118.48 3bwu s THR 150 Ca 0.07 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 3bwu s THR 150 Cb -0.15 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.41 3bwu s THR 150 CO 0.08 0.53 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.76 3bwu s LEU 151 N -0.14 3.64 -0.31 4.42 1.02 -1.26 -1.98 118.68 124.07 3bwu s LEU 151 Ca 0.06 -1.07 -0.13 0.00 0.02 0.00 0.00 54.13 53.00 3bwu s LEU 151 Cb -0.12 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 3bwu s LEU 151 CO 0.02 -0.21 0.27 -0.70 0.02 0.00 0.00 176.35 175.75 3bwu s GLU 152 N 1.30 3.77 0.19 1.70 2.12 0.07 -4.93 118.70 122.93 3bwu s GLU 152 Ca -0.03 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3bwu s GLU 152 Cb -0.18 -3.72 -0.08 0.00 0.26 0.00 0.00 34.13 30.40 3bwu s GLU 152 CO -0.02 -0.33 1.09 0.71 -0.54 0.00 0.00 175.26 176.17 3bwu s TYR 153 N 1.86 3.61 -2.00 5.30 1.51 -1.26 -0.67 117.35 125.70 3bwu s TYR 153 Ca 0.09 1.63 0.07 0.00 -1.01 0.00 0.00 57.07 57.85 3bwu s TYR 153 Cb -0.16 -3.26 0.41 0.00 -0.11 0.00 0.00 41.96 38.84 3bwu s TYR 153 CO 0.11 -0.54 0.87 0.94 -1.11 0.00 0.00 175.55 175.82