#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbc s LEU 2 N 0.00 2.46 -0.05 1.20 1.43 -1.26 -2.56 118.68 119.89 1nbc s LEU 2 Ca 0.00 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1nbc s LEU 2 Cb 0.00 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.09 1nbc s LEU 2 CO 0.00 -0.44 -0.06 -0.75 0.23 0.00 0.00 176.35 175.33 1nbc s LYS 3 N -3.82 1.06 -0.13 1.70 2.20 -0.50 -4.86 119.74 115.38 1nbc s LYS 3 Ca 0.15 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1nbc s LYS 3 Cb 0.05 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 1nbc s LYS 3 CO -0.02 -0.08 -0.19 0.08 -0.36 0.00 0.00 175.35 174.78 1nbc s VAL 4 N 0.97 2.37 0.11 4.02 1.01 -1.26 -0.68 120.40 126.95 1nbc s VAL 4 Ca -0.10 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1nbc s VAL 4 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1nbc s VAL 4 CO 0.00 0.54 -0.26 -1.61 0.00 0.00 0.00 175.10 173.77 1nbc s GLU 5 N 0.65 1.42 0.18 2.72 2.02 0.05 -4.12 118.70 121.62 1nbc s GLU 5 Ca -0.10 -1.28 -0.19 0.00 0.02 0.00 0.00 54.97 53.42 1nbc s GLU 5 Cb -0.16 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.28 1nbc s GLU 5 CO 0.02 0.44 0.54 0.12 0.02 0.00 0.00 175.26 176.41 1nbc s PHE 6 N -1.03 -0.29 -0.16 1.61 2.19 0.99 -0.97 117.98 120.33 1nbc s PHE 6 Ca 0.12 -0.02 -0.32 0.00 0.33 0.00 0.00 56.93 57.05 1nbc s PHE 6 Cb -0.10 0.45 0.14 0.00 -1.31 0.00 0.00 43.02 42.20 1nbc s PHE 6 CO 0.05 -0.88 1.12 1.52 1.83 0.00 0.00 175.22 178.86 1nbc s TYR 7 N -3.82 -0.21 -0.21 10.12 1.13 -0.91 -1.14 117.35 122.31 1nbc s TYR 7 Ca 0.05 0.23 -0.11 0.00 -1.41 0.00 0.00 57.07 55.83 1nbc s TYR 7 Cb -0.01 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 1nbc s TYR 7 CO -0.07 -0.28 0.18 -0.80 -2.51 0.00 0.00 175.55 172.07 1nbc s ASN 8 N -1.83 6.22 0.01 -0.18 -0.87 0.16 -0.30 114.94 118.15 1nbc s ASN 8 Ca 0.06 0.24 0.26 0.00 -1.57 0.00 0.00 52.86 51.85 1nbc s ASN 8 Cb -0.01 -2.12 0.66 0.00 -0.02 0.00 0.00 41.25 39.76 1nbc s ASN 8 CO -0.05 0.11 1.53 -1.54 -2.57 0.00 0.00 177.10 174.58 1nbc n SER 9 N 3.85 0.41 -4.17 -1.22 3.41 -0.84 -3.82 113.62 111.23 1nbc n SER 9 Ca -0.15 -0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 1nbc n SER 9 Cb 0.52 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 1nbc n SER 9 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1nbc s ASN 10 N -3.12 5.07 0.00 4.04 3.84 -1.26 -4.99 114.94 118.52 1nbc s ASN 10 Ca 0.11 -1.48 0.27 0.00 0.21 0.00 0.00 52.86 51.97 1nbc s ASN 10 Cb 0.17 -1.77 0.90 0.00 -0.55 0.00 0.00 41.25 40.00 1nbc s ASN 10 CO 0.66 -0.36 1.66 -0.81 -2.79 0.00 0.00 177.10 175.46 1nbc n PRO 11 N 4.64 1.40 -1.70 0.43 -0.04 -1.26 -4.75 135.00 133.73 1nbc n PRO 11 Ca -0.10 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.10 1nbc n PRO 11 Cb 0.43 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1nbc n PRO 11 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1nbc s SER 12 N -2.18 6.40 0.12 3.54 0.01 -1.26 -4.90 113.70 115.43 1nbc s SER 12 Ca 0.33 2.80 -0.22 0.00 1.31 0.00 0.00 55.95 60.17 1nbc s SER 12 Cb 0.20 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1nbc s SER 12 CO 0.40 -1.01 1.70 -0.78 0.41 0.00 0.00 173.24 173.96 1nbc h ASP 13 N 8.36 -0.22 -3.64 2.44 3.58 -1.94 -3.38 116.42 121.62 1nbc h ASP 13 Ca -0.46 0.05 -0.65 0.00 0.42 0.00 0.00 57.03 56.39 1nbc h ASP 13 Cb 1.22 0.12 -0.22 0.00 1.72 0.00 0.00 39.33 42.17 1nbc h ASP 13 CO 0.95 -0.10 -0.62 -0.89 -2.88 0.00 0.00 179.24 175.71 1nbc s THR 14 N -6.18 4.38 0.20 2.25 2.01 -1.26 -0.82 115.64 116.22 1nbc s THR 14 Ca -0.14 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.53 1nbc s THR 14 Cb 0.09 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.59 1nbc s THR 14 CO 0.67 0.34 0.56 0.28 -0.69 0.00 0.00 174.62 175.79 1nbc s THR 15 N 1.55 0.02 -0.98 -0.82 -1.32 -1.08 -4.98 115.64 108.03 1nbc s THR 15 Ca 0.06 -0.66 0.16 0.00 -1.21 0.00 0.00 61.69 60.03 1nbc s THR 15 Cb -0.15 -1.52 0.52 0.00 -1.51 0.00 0.00 72.50 69.84 1nbc s THR 15 CO 0.04 -0.09 1.44 -0.46 -2.21 0.00 0.00 174.62 173.34 1nbc n ASN 16 N -0.36 3.81 -3.69 8.08 6.94 -1.26 -0.25 115.26 128.53 1nbc n ASN 16 Ca -0.11 -2.33 -0.11 0.00 -0.02 0.00 0.00 54.58 52.01 1nbc n ASN 16 Cb 0.62 -0.43 -0.10 0.00 -2.36 0.00 0.00 39.78 37.52 1nbc n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1nbc s SER 17 N -1.15 -0.57 -0.15 0.53 1.04 -1.26 -4.45 113.70 107.69 1nbc s SER 17 Ca 0.39 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.77 1nbc s SER 17 Cb 0.24 0.93 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 1nbc s SER 17 CO 0.19 -0.19 0.01 -0.63 0.98 0.00 0.00 173.24 173.61 1nbc s ILE 18 N 1.00 4.37 -0.76 -1.02 1.01 -0.78 -4.96 121.20 120.06 1nbc s ILE 18 Ca -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1nbc s ILE 18 Cb -0.06 -2.93 0.19 0.00 0.01 0.00 0.00 42.46 39.67 1nbc s ILE 18 CO -0.09 0.50 0.58 0.20 0.00 0.00 0.00 174.94 176.14 1nbc s ASN 19 N 0.12 5.24 0.17 3.58 -0.87 -1.26 -1.43 114.94 120.49 1nbc s ASN 19 Ca 0.02 -3.74 -0.30 0.00 -1.57 0.00 0.00 52.86 47.27 1nbc s ASN 19 Cb -0.13 -1.74 -0.07 0.00 -0.02 0.00 0.00 41.25 39.28 1nbc s ASN 19 CO 0.02 -0.13 1.11 -2.16 -2.57 0.00 0.00 177.10 173.36 1nbc s PRO 20 N -1.33 4.58 -0.19 -0.60 0.04 -1.20 -1.99 135.00 134.31 1nbc s PRO 20 Ca 0.25 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1nbc s PRO 20 Cb -0.07 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1nbc s PRO 20 CO -0.14 0.05 -0.19 -0.65 0.04 0.00 0.00 177.00 176.11 1nbc s GLN 21 N -0.25 2.96 -0.01 4.56 -1.52 0.59 -0.73 119.66 125.26 1nbc s GLN 21 Ca 0.50 -0.85 0.05 0.00 -1.95 0.00 0.00 55.36 53.11 1nbc s GLN 21 Cb -0.29 -2.61 -0.03 0.00 -0.22 0.00 0.00 33.01 29.86 1nbc s GLN 21 CO 0.34 -0.23 -0.14 -0.06 -0.25 0.00 0.00 175.29 174.95 1nbc s PHE 22 N 1.29 2.68 -0.20 0.91 0.40 -0.45 -2.14 117.98 120.47 1nbc s PHE 22 Ca 0.04 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1nbc s PHE 22 Cb -0.13 -1.57 0.06 0.00 0.51 0.00 0.00 43.02 41.89 1nbc s PHE 22 CO -0.12 0.24 0.04 0.21 0.70 0.00 0.00 175.22 176.29 1nbc s LYS 23 N -1.10 0.68 -0.20 0.44 2.20 -0.15 -1.01 119.74 120.60 1nbc s LYS 23 Ca 0.14 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1nbc s LYS 23 Cb -0.11 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1nbc s LYS 23 CO 0.03 -0.67 -0.06 0.08 -0.36 0.00 0.00 175.35 174.37 1nbc s VAL 24 N 1.84 3.29 -0.13 4.02 1.01 -0.40 -0.77 120.40 129.26 1nbc s VAL 24 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1nbc s VAL 24 Cb -0.17 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1nbc s VAL 24 CO -0.09 0.45 -0.05 -0.89 0.00 0.00 0.00 175.10 174.51 1nbc s THR 25 N 1.25 3.78 -0.83 3.92 2.01 0.14 -1.02 115.64 124.90 1nbc s THR 25 Ca 0.03 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 1nbc s THR 25 Cb -0.14 -2.62 0.07 0.00 0.01 0.00 0.00 72.50 69.82 1nbc s THR 25 CO -0.02 0.53 1.19 0.21 -0.69 0.00 0.00 174.62 175.83 1nbc s ASN 26 N 0.04 6.36 0.00 3.53 3.84 -0.54 -1.41 114.94 126.77 1nbc s ASN 26 Ca -0.01 -1.26 0.18 0.00 0.21 0.00 0.00 52.86 51.99 1nbc s ASN 26 Cb -0.14 -2.48 0.79 0.00 -0.55 0.00 0.00 41.25 38.88 1nbc s ASN 26 CO 0.03 -1.45 1.55 0.35 -2.79 0.00 0.00 177.10 174.79 1nbc n THR 27 N 6.15 0.15 -1.76 -5.21 -2.24 -1.06 -0.40 114.28 109.91 1nbc n THR 27 Ca 0.14 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1nbc n THR 27 Cb 0.48 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1nbc n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nbc n GLY 28 N 0.98 0.28 0.16 3.38 0.00 -1.20 -4.94 105.19 103.86 1nbc n GLY 28 Ca 0.14 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1nbc n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nbc n SER 29 N -2.58 1.06 -4.35 1.61 3.41 -1.26 -4.48 113.62 107.03 1nbc n SER 29 Ca 0.00 -1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 57.29 1nbc n SER 29 Cb 0.00 0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 64.54 1nbc n SER 29 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nbc s SER 30 N -1.97 3.12 0.78 4.04 1.04 -1.26 -4.81 113.70 114.63 1nbc s SER 30 Ca 0.08 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.70 1nbc s SER 30 Cb 0.11 -0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1nbc s SER 30 CO 0.45 0.19 1.16 0.00 0.98 0.00 0.00 173.24 176.02 1nbc n ALA 31 N 1.28 0.03 -2.91 5.32 0.00 -1.26 -4.50 120.51 118.47 1nbc n ALA 31 Ca -0.18 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 1nbc n ALA 31 Cb 0.53 -2.23 -0.17 0.00 0.00 0.00 0.00 19.45 17.58 1nbc n ALA 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nbc s ILE 32 N -2.00 2.08 -0.44 0.00 1.01 0.18 -4.94 121.20 117.09 1nbc s ILE 32 Ca 0.74 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1nbc s ILE 32 Cb -0.31 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1nbc s ILE 32 CO 0.50 0.57 0.98 -0.62 0.00 0.00 0.00 174.94 176.36 1nbc s ASP 33 N 0.02 6.58 0.59 3.58 -1.08 -1.26 0.07 116.67 125.16 1nbc s ASP 33 Ca -0.09 0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.55 1nbc s ASP 33 Cb -0.15 -2.48 1.80 0.00 -1.46 0.00 0.00 42.92 40.63 1nbc s ASP 33 CO 0.06 -1.05 2.24 -0.07 0.52 0.00 0.00 175.17 176.86 1nbc h LEU 34 N 10.60 0.00 0.00 -1.34 3.38 -1.42 -0.34 115.31 126.20 1nbc h LEU 34 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nbc h LEU 34 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1nbc h LEU 34 CO 1.04 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 178.04 1nbc n SER 35 N -3.81 0.00 -0.53 -0.43 3.41 -1.26 -1.33 113.62 109.67 1nbc n SER 35 Ca -0.03 0.31 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1nbc n SER 35 Cb 0.10 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 63.69 1nbc n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nbc n LYS 36 N -1.40 1.31 -3.82 4.33 4.76 -0.14 -4.87 118.16 118.33 1nbc n LYS 36 Ca 0.05 -1.22 -0.35 0.00 -2.87 0.00 0.00 58.31 53.91 1nbc n LYS 36 Cb 0.13 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 31.96 1nbc n LYS 36 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1nbc s LEU 37 N -1.45 4.04 0.05 -0.35 2.96 -0.44 -0.52 118.68 122.97 1nbc s LEU 37 Ca 0.16 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1nbc s LEU 37 Cb 0.12 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1nbc s LEU 37 CO 0.24 0.16 -0.12 0.42 -1.32 0.00 0.00 176.35 175.73 1nbc s THR 38 N 0.46 0.90 0.09 3.68 -4.23 -0.73 -4.23 115.64 111.58 1nbc s THR 38 Ca 0.06 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1nbc s THR 38 Cb -0.12 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 1nbc s THR 38 CO -0.00 -0.20 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.93 1nbc s LEU 39 N -1.47 2.28 -0.00 4.79 1.43 -0.69 -0.68 118.68 124.35 1nbc s LEU 39 Ca -0.03 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1nbc s LEU 39 Cb -0.09 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1nbc s LEU 39 CO 0.01 0.00 -0.10 -0.13 0.23 0.00 0.00 176.35 176.36 1nbc s ARG 40 N -1.79 0.83 -0.22 1.70 0.52 0.17 -0.45 118.95 119.71 1nbc s ARG 40 Ca 0.03 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1nbc s ARG 40 Cb -0.10 -0.80 0.05 0.00 0.52 0.00 0.00 34.95 34.62 1nbc s ARG 40 CO 0.03 0.22 -0.09 -0.47 0.02 0.00 0.00 175.30 175.01 1nbc s TYR 41 N -0.33 2.58 -0.04 -0.53 5.04 -0.66 -2.60 117.35 120.81 1nbc s TYR 41 Ca 0.03 -1.79 -0.15 0.00 -2.44 0.00 0.00 57.07 52.72 1nbc s TYR 41 Cb -0.04 -1.68 -0.05 0.00 0.35 0.00 0.00 41.96 40.53 1nbc s TYR 41 CO -0.00 -0.78 0.41 0.71 -1.34 0.00 0.00 175.55 174.55 1nbc s TYR 42 N 1.34 3.66 0.31 4.97 1.51 -1.26 -1.37 117.35 126.51 1nbc s TYR 42 Ca -0.04 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 56.84 1nbc s TYR 42 Cb -0.18 -2.35 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 1nbc s TYR 42 CO -0.07 0.50 0.61 2.48 -1.11 0.00 0.00 175.55 177.97 1nbc n TYR 43 N 2.38 -2.05 -4.17 2.71 4.11 -0.56 -0.80 117.16 118.77 1nbc n TYR 43 Ca -0.12 -1.46 -0.34 0.00 -0.00 0.00 0.00 57.90 55.98 1nbc n TYR 43 Cb 0.52 0.72 -0.14 0.00 -0.00 0.00 0.00 39.34 40.43 1nbc n TYR 43 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1nbc s THR 44 N -2.31 3.03 0.50 -3.48 -4.23 -1.26 -0.25 115.64 107.64 1nbc s THR 44 Ca 0.13 -0.62 0.35 0.00 -1.18 0.00 0.00 61.69 60.37 1nbc s THR 44 Cb -0.04 -2.33 0.38 0.00 1.34 0.00 0.00 72.50 71.85 1nbc s THR 44 CO 0.09 0.47 2.21 1.62 -0.54 0.00 0.00 174.62 178.48 1nbc h VAL 45 N 5.68 0.26 -6.03 2.29 3.04 -1.92 -3.44 116.25 116.12 1nbc h VAL 45 Ca -0.38 -0.22 -0.39 0.00 -1.01 0.00 0.00 66.70 64.70 1nbc h VAL 45 Cb 1.17 1.17 0.11 0.00 -2.01 0.00 0.00 31.29 31.72 1nbc h VAL 45 CO 0.60 0.03 -0.90 0.47 -1.01 0.00 0.00 177.57 176.76 1nbc n ASP 46 N -3.39 -4.90 0.00 3.17 8.00 -1.26 -4.67 116.55 113.50 1nbc n ASP 46 Ca -0.02 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1nbc n ASP 46 Cb 0.15 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1nbc n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nbc n GLY 47 N -1.57 1.01 3.67 0.44 0.00 -1.26 -4.90 105.19 102.57 1nbc n GLY 47 Ca -0.12 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1nbc n GLY 47 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nbc s GLN 48 N -0.39 4.18 0.07 1.61 2.00 -1.26 -4.99 119.66 120.88 1nbc s GLN 48 Ca 0.00 2.34 -0.05 0.00 -2.00 0.00 0.00 55.36 55.65 1nbc s GLN 48 Cb 0.00 -3.90 -0.02 0.00 0.80 0.00 0.00 33.01 29.89 1nbc s GLN 48 CO 0.00 -0.84 0.09 0.15 -0.50 0.00 0.00 175.29 174.19 1nbc s LYS 49 N 3.69 0.73 0.47 1.67 -0.14 -1.26 -5.13 119.74 119.77 1nbc s LYS 49 Ca 0.77 -1.08 -0.22 0.00 -1.36 0.00 0.00 55.97 54.08 1nbc s LYS 49 Cb -0.38 0.28 -0.07 0.00 -1.68 0.00 0.00 37.83 35.98 1nbc s LYS 49 CO 0.33 -0.19 1.14 -0.51 -0.76 0.00 0.00 175.35 175.35 1nbc s ASP 50 N -2.89 6.17 0.20 2.83 1.01 -1.26 -4.89 116.67 117.84 1nbc s ASP 50 Ca 0.06 2.22 0.07 0.00 0.71 0.00 0.00 52.55 55.61 1nbc s ASP 50 Cb 0.06 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1nbc s ASP 50 CO -0.11 -0.91 -0.12 -1.10 0.21 0.00 0.00 175.17 173.14 1nbc s GLN 51 N -2.82 1.29 -0.01 8.23 -0.21 -1.26 -0.76 119.66 124.12 1nbc s GLN 51 Ca 0.65 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 54.48 1nbc s GLN 51 Cb -0.26 -0.99 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 1nbc s GLN 51 CO 0.31 0.13 -0.10 0.99 -2.12 0.00 0.00 175.29 174.50 1nbc s THR 52 N -3.08 0.78 -0.01 -0.19 2.01 -0.27 -4.89 115.64 109.99 1nbc s THR 52 Ca 0.22 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1nbc s THR 52 Cb 0.01 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 1nbc s THR 52 CO 0.06 0.22 -0.14 0.12 -0.69 0.00 0.00 174.62 174.19 1nbc s PHE 53 N -0.23 2.69 0.00 4.92 5.36 -1.26 -1.70 117.98 127.75 1nbc s PHE 53 Ca 0.04 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.86 1nbc s PHE 53 Cb -0.04 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 41.06 1nbc s PHE 53 CO -0.00 0.24 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.34 1nbc s TRP 54 N -0.84 0.67 -0.37 10.12 0.51 0.33 -4.86 118.94 124.51 1nbc s TRP 54 Ca 0.13 -0.16 -0.11 0.00 -2.12 0.00 0.00 56.10 53.85 1nbc s TRP 54 Cb -0.11 -0.43 0.03 0.00 -0.81 0.00 0.00 33.47 32.15 1nbc s TRP 54 CO 0.03 -0.01 0.20 0.00 -0.51 0.00 0.00 176.95 176.65 1nbc h ASP 56 N 8.42 0.68 -2.91 0.00 3.32 -1.38 -3.46 116.42 121.09 1nbc h ASP 56 Ca -0.26 -0.25 0.09 0.00 0.02 0.00 0.00 57.03 56.64 1nbc h ASP 56 Cb 1.11 -0.19 -0.28 0.00 0.22 0.00 0.00 39.33 40.19 1nbc h ASP 56 CO 0.66 0.91 0.55 -2.28 -1.72 0.00 0.00 179.24 177.37 1nbc s HIS 57 N -4.52 -0.38 -0.04 4.55 5.04 -1.20 -5.02 115.29 113.71 1nbc s HIS 57 Ca -0.08 0.91 -0.08 0.00 -1.54 0.00 0.00 55.06 54.27 1nbc s HIS 57 Cb 0.13 0.39 0.01 0.00 0.04 0.00 0.00 32.58 33.15 1nbc s HIS 57 CO 0.82 -0.18 0.19 0.00 -2.34 0.00 0.00 174.74 173.23 1nbc s ALA 58 N 0.26 -0.48 0.02 1.58 0.00 -1.26 -0.49 121.76 121.38 1nbc s ALA 58 Ca 0.03 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.04 1nbc s ALA 58 Cb -0.05 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.00 1nbc s ALA 58 CO -0.09 -0.16 0.59 0.00 0.00 0.00 0.00 175.76 176.10 1nbc s ALA 59 N -0.59 -1.52 -0.28 0.00 0.00 -0.59 -1.37 121.76 117.41 1nbc s ALA 59 Ca -0.07 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1nbc s ALA 59 Cb -0.04 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1nbc s ALA 59 CO 0.01 -0.47 0.18 0.42 0.00 0.00 0.00 175.76 175.91 1nbc s ILE 60 N -2.01 5.22 -0.23 0.00 1.01 -0.00 -1.19 121.20 124.00 1nbc s ILE 60 Ca -0.07 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 1nbc s ILE 60 Cb -0.01 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1nbc s ILE 60 CO 0.02 0.24 0.03 -0.63 0.00 0.00 0.00 174.94 174.61 1nbc s ILE 61 N 1.75 4.02 0.92 2.92 -1.09 0.14 -1.84 121.20 128.02 1nbc s ILE 61 Ca 0.07 -0.27 -0.13 0.00 -2.23 0.00 0.00 60.65 58.09 1nbc s ILE 61 Cb -0.16 -2.86 0.14 0.00 -1.58 0.00 0.00 42.46 38.01 1nbc s ILE 61 CO 0.10 0.38 1.15 -0.83 -1.23 0.00 0.00 174.94 174.51 1nbc s GLY 62 N 1.46 1.59 0.52 6.18 0.00 -0.13 -0.50 107.32 116.44 1nbc s GLY 62 Ca 0.05 -0.59 0.28 0.00 0.00 0.00 0.00 44.72 44.47 1nbc s GLY 62 CO 0.02 -0.01 2.05 1.48 0.00 0.00 0.00 173.10 176.64 1nbc h SER 63 N -1.53 0.00 -0.60 1.64 4.64 -1.85 -0.78 113.55 115.07 1nbc h SER 63 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1nbc h SER 63 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1nbc h SER 63 CO 0.60 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.22 1nbc n ASN 64 N -3.57 3.55 0.00 4.97 6.94 -1.26 -4.92 115.26 120.97 1nbc n ASN 64 Ca -0.02 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 1nbc n ASN 64 Cb 0.26 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1nbc n ASN 64 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nbc n GLY 65 N 1.34 0.61 3.76 4.83 0.00 -0.30 -5.02 105.19 110.41 1nbc n GLY 65 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1nbc n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nbc s SER 66 N -2.03 5.69 -0.15 1.61 1.04 -1.26 -4.67 113.70 113.93 1nbc s SER 66 Ca 0.00 2.74 0.01 0.00 0.48 0.00 0.00 55.95 59.18 1nbc s SER 66 Cb 0.00 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1nbc s SER 66 CO 0.00 -1.28 -0.18 -0.47 0.98 0.00 0.00 173.24 172.29 1nbc s TYR 67 N -1.30 2.74 -0.25 5.02 6.14 -1.26 -0.96 117.35 127.49 1nbc s TYR 67 Ca 0.66 -1.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.12 1nbc s TYR 67 Cb -0.40 -1.87 0.08 0.00 0.42 0.00 0.00 41.96 40.19 1nbc s TYR 67 CO 0.49 -0.57 0.04 1.21 0.64 0.00 0.00 175.55 177.35 1nbc s ASN 68 N 0.90 3.60 0.02 4.32 2.47 -0.77 -5.00 114.94 120.48 1nbc s ASN 68 Ca -0.04 -1.24 -0.30 0.00 0.42 0.00 0.00 52.86 51.69 1nbc s ASN 68 Cb -0.15 -0.87 -0.06 0.00 -1.45 0.00 0.00 41.25 38.72 1nbc s ASN 68 CO -0.03 -0.33 1.44 -0.83 -3.72 0.00 0.00 177.10 173.63 1nbc s GLY 69 N 1.63 1.82 -0.07 1.21 0.00 -1.26 -0.82 107.32 109.82 1nbc s GLY 69 Ca 0.02 0.94 0.15 0.00 0.00 0.00 0.00 44.72 45.83 1nbc s GLY 69 CO -0.14 2.56 1.14 0.29 0.00 0.00 0.00 173.10 176.95 1nbc n ILE 70 N 4.64 0.85 -0.28 0.90 -5.35 -0.47 -4.92 119.36 114.73 1nbc n ILE 70 Ca 0.13 -1.56 0.08 0.00 -0.27 0.00 0.00 62.75 61.14 1nbc n ILE 70 Cb 0.43 0.39 0.21 0.00 -1.74 0.00 0.00 39.64 38.93 1nbc n ILE 70 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1nbc h THR 71 N 4.40 0.31 0.00 7.28 2.02 -1.83 0.58 112.91 125.68 1nbc h THR 71 Ca -0.09 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1nbc h THR 71 Cb 1.43 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1nbc h THR 71 CO 0.04 0.03 0.00 -1.54 0.37 0.00 0.00 175.52 174.41 1nbc n SER 72 N -5.31 0.00 -0.22 4.18 3.41 -1.26 -3.00 113.62 111.43 1nbc n SER 72 Ca 0.17 -0.97 0.12 0.00 -0.26 0.00 0.00 58.87 57.92 1nbc n SER 72 Cb 0.56 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 1nbc n SER 72 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nbc n ASN 73 N -0.97 1.22 -4.65 4.04 3.02 0.19 -4.87 115.26 113.24 1nbc n ASN 73 Ca 0.20 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.39 1nbc n ASN 73 Cb 0.09 0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 1nbc n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nbc s VAL 74 N -2.70 5.15 0.15 2.41 1.01 -1.16 -1.27 120.40 123.99 1nbc s VAL 74 Ca 0.16 0.77 0.09 0.00 0.00 0.00 0.00 61.98 63.00 1nbc s VAL 74 Cb 0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1nbc s VAL 74 CO 0.65 0.19 -0.14 -0.54 0.00 0.00 0.00 175.10 175.26 1nbc s LYS 75 N 1.67 1.93 -0.04 2.72 -0.14 0.31 -4.79 119.74 121.41 1nbc s LYS 75 Ca 0.20 -1.23 0.01 0.00 -1.36 0.00 0.00 55.97 53.59 1nbc s LYS 75 Cb -0.15 -2.14 0.02 0.00 -1.68 0.00 0.00 37.83 33.88 1nbc s LYS 75 CO 0.09 0.46 -0.05 0.20 -0.76 0.00 0.00 175.35 175.29 1nbc s GLY 76 N -2.50 0.42 0.09 -3.33 0.00 -1.26 -0.79 107.32 99.94 1nbc s GLY 76 Ca 0.22 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.92 1nbc s GLY 76 CO 0.13 0.29 -0.19 -0.51 0.00 0.00 0.00 173.10 172.83 1nbc s THR 77 N 0.69 1.50 -0.21 0.90 -4.23 -0.54 -4.74 115.64 109.02 1nbc s THR 77 Ca -0.09 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1nbc s THR 77 Cb -0.12 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 1nbc s THR 77 CO 0.00 -0.09 0.01 -0.36 -0.54 0.00 0.00 174.62 173.64 1nbc s PHE 78 N -1.16 3.06 -0.17 3.99 0.08 -1.26 -0.45 117.98 122.06 1nbc s PHE 78 Ca 0.04 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 1nbc s PHE 78 Cb -0.10 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1nbc s PHE 78 CO 0.03 -0.24 -0.15 0.08 -0.10 0.00 0.00 175.22 174.84 1nbc s VAL 79 N 1.05 2.54 -0.11 -0.44 1.01 0.07 -4.97 120.40 119.55 1nbc s VAL 79 Ca 0.02 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1nbc s VAL 79 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1nbc s VAL 79 CO 0.02 0.51 0.97 -0.75 0.00 0.00 0.00 175.10 175.85 1nbc s LYS 80 N 1.09 4.41 0.24 2.72 2.20 -1.26 -0.71 119.74 128.44 1nbc s LYS 80 Ca -0.00 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.64 1nbc s LYS 80 Cb -0.14 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 1nbc s LYS 80 CO -0.05 -0.30 1.36 -1.64 -0.36 0.00 0.00 175.35 174.36 1nbc s MET 81 N 1.96 4.34 0.22 4.03 -1.94 -0.09 -4.92 119.30 122.90 1nbc s MET 81 Ca 0.47 2.17 0.25 0.00 -1.71 0.00 0.00 55.69 56.87 1nbc s MET 81 Cb -0.18 -3.14 0.90 0.00 2.01 0.00 0.00 34.83 34.41 1nbc s MET 81 CO 0.17 -0.30 1.75 -1.13 -0.01 0.00 0.00 175.02 175.50 1nbc n SER 82 N 2.21 0.71 -3.39 3.03 3.41 -1.26 -4.45 113.62 113.88 1nbc n SER 82 Ca 0.05 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1nbc n SER 82 Cb 0.42 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 1nbc n SER 82 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nbc s SER 83 N -4.32 0.74 0.39 4.04 0.15 -1.26 -5.17 113.70 108.28 1nbc s SER 83 Ca 0.08 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.71 1nbc s SER 83 Cb 0.11 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.25 1nbc s SER 83 CO 0.50 -0.33 0.36 -0.94 1.20 0.00 0.00 173.24 174.03 1nbc s SER 84 N 2.47 5.15 0.45 5.45 1.04 -1.26 -5.00 113.70 121.99 1nbc s SER 84 Ca 0.10 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1nbc s SER 84 Cb -0.15 -0.70 -0.05 0.00 0.10 0.00 0.00 66.02 65.22 1nbc s SER 84 CO -0.19 -0.56 0.01 0.42 0.98 0.00 0.00 173.24 173.90 1nbc s THR 85 N -2.41 1.52 -0.86 2.02 -4.23 -0.00 -5.02 115.64 106.65 1nbc s THR 85 Ca 0.46 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 1nbc s THR 85 Cb -0.04 -2.57 0.14 0.00 1.34 0.00 0.00 72.50 71.37 1nbc s THR 85 CO 0.28 0.00 1.50 -0.46 -0.54 0.00 0.00 174.62 175.39 1nbc n ASN 86 N -1.11 0.17 -0.25 3.99 6.94 -1.26 -2.51 115.26 121.23 1nbc n ASN 86 Ca -0.12 0.55 0.05 0.00 -0.02 0.00 0.00 54.58 55.04 1nbc n ASN 86 Cb 0.67 -0.58 0.07 0.00 -2.36 0.00 0.00 39.78 37.57 1nbc n ASN 86 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1nbc n ASN 87 N -1.69 1.21 -3.21 0.53 6.94 -1.26 -4.94 115.26 112.83 1nbc n ASN 87 Ca 0.03 -2.47 0.02 0.00 -0.02 0.00 0.00 54.58 52.13 1nbc n ASN 87 Cb 0.17 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.28 1nbc n ASN 87 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nbc s ALA 88 N -1.41 -2.08 0.00 -2.53 0.00 -1.05 -0.42 121.76 114.28 1nbc s ALA 88 Ca 0.15 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1nbc s ALA 88 Cb 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1nbc s ALA 88 CO 0.01 -1.29 0.12 -0.40 0.00 0.00 0.00 175.76 174.20 1nbc n ASP 89 N 5.42 0.23 -3.78 0.00 5.68 0.65 -0.82 116.55 123.93 1nbc n ASP 89 Ca -0.02 -0.62 -0.13 0.00 -0.50 0.00 0.00 54.79 53.52 1nbc n ASP 89 Cb 0.51 0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.62 1nbc n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1nbc s THR 90 N -0.22 0.06 0.02 2.12 2.01 -0.63 -0.91 115.64 118.09 1nbc s THR 90 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1nbc s THR 90 Cb 0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1nbc s THR 90 CO 0.00 -0.27 -0.04 -0.72 -0.69 0.00 0.00 174.62 172.90 1nbc s TYR 91 N -1.29 0.32 -0.17 4.92 -0.85 0.12 -1.50 117.35 118.89 1nbc s TYR 91 Ca -0.13 -0.36 -0.17 0.00 -0.52 0.00 0.00 57.07 55.89 1nbc s TYR 91 Cb -0.06 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 1nbc s TYR 91 CO 0.04 -0.10 0.44 -1.17 -1.52 0.00 0.00 175.55 173.24 1nbc s LEU 92 N -1.01 4.20 -0.22 -3.49 2.96 -0.47 -0.75 118.68 119.90 1nbc s LEU 92 Ca -0.09 0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1nbc s LEU 92 Cb -0.07 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1nbc s LEU 92 CO -0.00 -0.06 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.25 1nbc s GLU 93 N 1.07 3.49 -0.14 1.98 2.12 0.41 -1.66 118.70 125.96 1nbc s GLU 93 Ca 0.22 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 1nbc s GLU 93 Cb -0.15 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1nbc s GLU 93 CO 0.09 -0.12 0.28 0.42 -0.54 0.00 0.00 175.26 175.39 1nbc s ILE 94 N 1.32 5.30 0.24 -3.70 1.01 0.40 -1.47 121.20 124.30 1nbc s ILE 94 Ca 0.04 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1nbc s ILE 94 Cb -0.14 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1nbc s ILE 94 CO -0.00 0.43 0.02 -0.94 0.00 0.00 0.00 174.94 174.45 1nbc s SER 95 N 0.17 1.70 0.03 3.58 1.04 0.03 -1.70 113.70 118.54 1nbc s SER 95 Ca 0.17 -1.25 0.06 0.00 0.48 0.00 0.00 55.95 55.40 1nbc s SER 95 Cb -0.13 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1nbc s SER 95 CO 0.04 -0.56 -0.19 -0.36 0.98 0.00 0.00 173.24 173.15 1nbc s PHE 96 N -3.49 1.64 0.23 5.02 0.40 -1.26 -0.53 117.98 119.99 1nbc s PHE 96 Ca 0.30 -0.35 0.09 0.00 -0.60 0.00 0.00 56.93 56.37 1nbc s PHE 96 Cb 0.06 -0.99 0.21 0.00 0.51 0.00 0.00 43.02 42.81 1nbc s PHE 96 CO 0.10 0.05 1.53 1.79 0.70 0.00 0.00 175.22 179.39 1nbc h THR 97 N 4.46 1.51 0.00 0.64 1.35 -1.51 -3.38 112.91 115.98 1nbc h THR 97 Ca -0.40 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1nbc h THR 97 Cb 1.16 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1nbc h THR 97 CO 0.45 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 177.02 1nbc n GLY 98 N 0.52 -1.11 0.00 5.82 0.00 -1.26 -4.70 105.19 104.45 1nbc n GLY 98 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1nbc n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbc n GLY 99 N 0.00 2.71 2.99 -0.02 0.00 -1.26 -4.55 105.19 105.07 1nbc n GLY 99 Ca 0.00 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 1nbc n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbc s THR 100 N -2.71 0.95 -0.47 2.61 2.01 -1.26 -1.19 115.64 115.59 1nbc s THR 100 Ca 0.00 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1nbc s THR 100 Cb 0.00 -0.88 0.10 0.00 0.01 0.00 0.00 72.50 71.73 1nbc s THR 100 CO 0.00 0.31 0.36 -0.22 -0.69 0.00 0.00 174.62 174.38 1nbc s LEU 101 N 0.62 5.63 0.62 4.42 2.96 0.11 -4.92 118.68 128.12 1nbc s LEU 101 Ca -0.12 -1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 51.99 1nbc s LEU 101 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1nbc s LEU 101 CO 0.02 -0.68 1.03 -1.61 -1.32 0.00 0.00 176.35 173.80 1nbc s GLU 102 N 1.47 3.43 0.10 1.98 2.02 -1.26 0.47 118.70 126.90 1nbc s GLU 102 Ca 0.04 0.91 -0.36 0.00 0.02 0.00 0.00 54.97 55.58 1nbc s GLU 102 Cb -0.26 -2.06 -0.17 0.00 0.10 0.00 0.00 34.13 31.75 1nbc s GLU 102 CO 0.02 -0.71 1.33 -2.30 0.02 0.00 0.00 175.26 173.63 1nbc n PRO 103 N -2.56 1.19 0.00 0.39 -0.02 -1.26 -0.58 135.00 132.17 1nbc n PRO 103 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1nbc n PRO 103 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1nbc n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nbc n GLY 104 N 2.51 2.87 3.90 -1.23 0.00 0.46 -4.73 105.19 108.96 1nbc n GLY 104 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1nbc n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nbc s ALA 105 N -2.49 3.23 0.07 4.61 0.00 0.26 -4.04 121.76 123.39 1nbc s ALA 105 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1nbc s ALA 105 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1nbc s ALA 105 CO 0.00 -0.66 0.11 -3.38 0.00 0.00 0.00 175.76 171.82 1nbc s HIS 106 N -3.00 0.27 -0.08 0.00 -3.43 0.34 -1.47 115.29 107.92 1nbc s HIS 106 Ca 0.52 -0.71 0.04 0.00 -0.80 0.00 0.00 55.06 54.12 1nbc s HIS 106 Cb -0.11 -0.17 -0.01 0.00 -1.43 0.00 0.00 32.58 30.86 1nbc s HIS 106 CO 0.48 -0.46 -0.22 0.54 -2.00 0.00 0.00 174.74 173.08 1nbc s VAL 107 N -3.64 2.28 -0.13 -5.38 0.11 -0.18 0.28 120.40 113.75 1nbc s VAL 107 Ca 0.04 -0.97 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 1nbc s VAL 107 Cb 0.05 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1nbc s VAL 107 CO -0.09 0.56 -0.05 -1.10 -3.33 0.00 0.00 175.10 171.09 1nbc s GLN 108 N 0.05 3.37 -0.13 1.54 -0.21 -0.33 -1.28 119.66 122.67 1nbc s GLN 108 Ca -0.09 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 1nbc s GLN 108 Cb -0.15 -2.80 0.03 0.00 1.00 0.00 0.00 33.01 31.09 1nbc s GLN 108 CO 0.06 0.38 -0.05 0.42 -2.12 0.00 0.00 175.29 173.98 1nbc s ILE 109 N -0.03 0.92 -0.48 1.08 1.01 -0.18 -1.54 121.20 121.98 1nbc s ILE 109 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1nbc s ILE 109 Cb -0.13 -1.06 0.10 0.00 0.01 0.00 0.00 42.46 41.38 1nbc s ILE 109 CO 0.03 0.22 0.39 -1.10 0.00 0.00 0.00 174.94 174.48 1nbc s GLN 110 N 1.73 2.81 0.41 2.79 -0.21 0.35 -1.34 119.66 126.20 1nbc s GLN 110 Ca 0.03 -1.58 0.08 0.00 0.02 0.00 0.00 55.36 53.91 1nbc s GLN 110 Cb -0.14 -4.08 -0.01 0.00 1.00 0.00 0.00 33.01 29.78 1nbc s GLN 110 CO -0.08 -1.15 0.41 0.20 -2.12 0.00 0.00 175.29 172.56 1nbc s GLY 111 N 2.86 2.05 -0.28 3.09 0.00 0.09 -0.94 107.32 114.19 1nbc s GLY 111 Ca 0.04 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.74 1nbc s GLY 111 CO 0.03 -1.63 0.90 -1.60 0.00 0.00 0.00 173.10 170.80 1nbc s ARG 112 N -4.16 0.57 0.09 2.90 3.52 -0.62 -3.24 118.95 118.01 1nbc s ARG 112 Ca 0.49 0.80 -0.03 0.00 -0.13 0.00 0.00 55.73 56.86 1nbc s ARG 112 Cb -0.05 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1nbc s ARG 112 CO 0.29 -0.09 0.06 -0.59 -0.81 0.00 0.00 175.30 174.16 1nbc s PHE 113 N 0.77 0.56 0.18 5.12 -0.71 -0.51 -0.51 117.98 122.87 1nbc s PHE 113 Ca -0.03 -1.02 -0.19 0.00 -1.04 0.00 0.00 56.93 54.65 1nbc s PHE 113 Cb -0.05 -0.34 0.04 0.00 -1.21 0.00 0.00 43.02 41.47 1nbc s PHE 113 CO -0.09 -0.48 0.54 0.00 -1.34 0.00 0.00 175.22 173.84 1nbc s ALA 114 N -3.95 -1.14 0.41 1.99 0.00 -0.69 -1.87 121.76 116.50 1nbc s ALA 114 Ca 0.13 0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 1nbc s ALA 114 Cb 0.07 0.83 -0.09 0.00 0.00 0.00 0.00 23.12 23.93 1nbc s ALA 114 CO -0.06 -0.78 1.01 0.15 0.00 0.00 0.00 175.76 176.08 1nbc s LYS 115 N -3.83 4.16 0.00 0.00 1.02 -1.26 -1.11 119.74 118.72 1nbc s LYS 115 Ca 0.06 1.36 0.08 0.00 0.02 0.00 0.00 55.97 57.49 1nbc s LYS 115 Cb -0.01 -2.39 0.37 0.00 -0.52 0.00 0.00 37.83 35.28 1nbc s LYS 115 CO -0.07 -0.12 1.25 0.09 -0.92 0.00 0.00 175.35 175.59 1nbc n ASN 116 N -0.31 0.00 -0.49 2.83 3.02 0.06 -0.33 115.26 120.04 1nbc n ASN 116 Ca 0.06 0.45 0.06 0.00 -0.03 0.00 0.00 54.58 55.11 1nbc n ASN 116 Cb 0.51 -0.47 0.07 0.00 -0.61 0.00 0.00 39.78 39.29 1nbc n ASN 116 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1nbc n ASP 117 N -1.47 2.18 -3.22 6.41 5.75 -1.26 -4.99 116.55 119.95 1nbc n ASP 117 Ca 0.02 -1.60 -0.23 0.00 -0.01 0.00 0.00 54.79 52.97 1nbc n ASP 117 Cb 0.09 -0.06 0.04 0.00 -1.03 0.00 0.00 41.12 40.17 1nbc n ASP 117 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1nbc n TRP 118 N 0.59 -2.18 -1.88 2.11 7.02 0.55 -5.00 117.44 118.65 1nbc n TRP 118 Ca 0.08 0.65 -0.29 0.00 -1.02 0.00 0.00 57.50 56.91 1nbc n TRP 118 Cb 0.31 -4.48 0.09 0.00 -2.42 0.00 0.00 31.31 24.82 1nbc n TRP 118 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1nbc s SER 119 N -2.87 4.52 0.53 -0.99 1.04 -1.26 -4.86 113.70 109.81 1nbc s SER 119 Ca 0.39 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 1nbc s SER 119 Cb -0.18 -1.34 -0.06 0.00 0.10 0.00 0.00 66.02 64.54 1nbc s SER 119 CO 0.49 -1.90 0.95 0.20 0.98 0.00 0.00 173.24 173.95 1nbc s ASN 120 N -4.53 6.44 0.34 7.02 0.01 -1.26 -4.57 114.94 118.39 1nbc s ASN 120 Ca 0.62 1.39 0.09 0.00 -0.71 0.00 0.00 52.86 54.25 1nbc s ASN 120 Cb -0.11 -2.44 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 1nbc s ASN 120 CO 0.49 -0.65 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.11 1nbc s TYR 121 N -2.78 2.50 -0.17 2.20 2.02 0.66 -4.93 117.35 116.86 1nbc s TYR 121 Ca 0.55 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1nbc s TYR 121 Cb -0.10 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1nbc s TYR 121 CO 0.40 0.51 -0.13 0.99 -1.57 0.00 0.00 175.55 175.75 1nbc s THR 122 N -2.55 1.62 -0.71 -0.71 2.01 -1.26 -2.65 115.64 111.39 1nbc s THR 122 Ca 0.34 -0.76 0.25 0.00 0.31 0.00 0.00 61.69 61.83 1nbc s THR 122 Cb 0.01 -1.57 0.11 0.00 0.01 0.00 0.00 72.50 71.06 1nbc s THR 122 CO 0.18 0.37 1.46 0.00 -0.69 0.00 0.00 174.62 175.95 1nbc n GLN 123 N 4.74 0.25 0.00 4.92 6.02 -0.00 -4.08 117.38 129.23 1nbc n GLN 123 Ca -0.16 0.10 0.10 0.00 -0.01 0.00 0.00 57.00 57.03 1nbc n GLN 123 Cb 0.49 -1.69 0.48 0.00 1.02 0.00 0.00 30.24 30.54 1nbc n GLN 123 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1nbc n SER 124 N -2.07 0.00 -0.65 1.08 3.41 -1.26 -2.75 113.62 111.38 1nbc n SER 124 Ca 0.04 0.27 0.05 0.00 -0.26 0.00 0.00 58.87 58.97 1nbc n SER 124 Cb 0.42 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.17 1nbc n SER 124 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1nbc n ASN 125 N -1.40 1.81 -4.40 4.04 6.94 -1.26 -5.01 115.26 115.98 1nbc n ASN 125 Ca 0.07 -3.89 -0.35 0.00 -0.02 0.00 0.00 54.58 50.39 1nbc n ASN 125 Cb 0.21 -0.52 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 1nbc n ASN 125 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1nbc s ASP 126 N -3.24 4.69 0.17 0.53 1.01 -1.11 -4.23 116.67 114.49 1nbc s ASP 126 Ca 0.38 -0.27 -0.15 0.00 0.71 0.00 0.00 52.55 53.23 1nbc s ASP 126 Cb 0.37 -1.81 0.14 0.00 1.01 0.00 0.00 42.92 42.63 1nbc s ASP 126 CO -0.07 0.02 1.70 0.22 0.21 0.00 0.00 175.17 177.25 1nbc h TYR 127 N 7.83 0.03 -0.00 4.23 3.20 -0.61 -2.47 116.97 129.17 1nbc h TYR 127 Ca -0.38 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1nbc h TYR 127 Cb 1.17 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1nbc h TYR 127 CO 0.60 -0.06 -0.13 0.43 -1.64 0.00 0.00 178.16 177.36 1nbc n SER 128 N -5.17 0.41 -4.68 -2.11 7.64 0.02 -4.91 113.62 104.82 1nbc n SER 128 Ca 0.04 -0.40 -0.45 0.00 1.01 0.00 0.00 58.87 59.06 1nbc n SER 128 Cb 0.22 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1nbc n SER 128 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1nbc n PHE 129 N -1.08 2.38 -3.34 1.43 7.35 -0.93 -4.83 117.46 118.43 1nbc n PHE 129 Ca 0.13 0.19 -0.14 0.00 -0.76 0.00 0.00 57.45 56.87 1nbc n PHE 129 Cb 0.29 -2.58 -0.07 0.00 0.35 0.00 0.00 39.48 37.47 1nbc n PHE 129 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1nbc s LYS 130 N 1.24 0.58 -0.04 -4.13 2.47 -1.26 -5.06 119.74 113.53 1nbc s LYS 130 Ca 0.79 -0.54 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 1nbc s LYS 130 Cb -0.64 -0.57 -0.03 0.00 -1.46 0.00 0.00 37.83 35.14 1nbc s LYS 130 CO 0.38 -1.15 1.10 0.45 0.16 0.00 0.00 175.35 176.29 1nbc s SER 131 N 1.78 7.17 0.22 1.43 0.15 -1.26 -0.67 113.70 122.52 1nbc s SER 131 Ca 0.15 1.73 -0.22 0.00 0.70 0.00 0.00 55.95 58.31 1nbc s SER 131 Cb -0.14 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1nbc s SER 131 CO -0.12 -0.47 0.65 0.00 1.20 0.00 0.00 173.24 174.50 1nbc s ALA 132 N 1.77 -1.39 -1.37 5.45 0.00 -1.25 -4.92 121.76 120.06 1nbc s ALA 132 Ca 0.53 0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.83 1nbc s ALA 132 Cb -0.23 0.87 0.70 0.00 0.00 0.00 0.00 23.12 24.46 1nbc s ALA 132 CO 0.23 -0.90 1.54 -1.13 0.00 0.00 0.00 175.76 175.49 1nbc n SER 133 N -0.42 0.70 -3.82 0.00 3.41 -1.26 -4.69 113.62 107.55 1nbc n SER 133 Ca -0.10 -0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 57.91 1nbc n SER 133 Cb 0.62 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1nbc n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nbc s GLN 134 N -2.75 1.75 0.12 4.33 -2.07 -1.26 -5.13 119.66 114.66 1nbc s GLN 134 Ca 0.18 -1.12 -0.31 0.00 -1.82 0.00 0.00 55.36 52.29 1nbc s GLN 134 Cb 0.18 0.56 -0.10 0.00 -1.09 0.00 0.00 33.01 32.57 1nbc s GLN 134 CO 0.60 -0.78 1.76 -0.06 -1.32 0.00 0.00 175.29 175.49 1nbc s PHE 135 N -3.80 2.32 0.21 9.60 0.08 -1.26 -4.62 117.98 120.51 1nbc s PHE 135 Ca 0.15 0.13 0.10 0.00 0.12 0.00 0.00 56.93 57.43 1nbc s PHE 135 Cb -0.04 -4.11 -0.05 0.00 -0.57 0.00 0.00 43.02 38.25 1nbc s PHE 135 CO 0.08 -4.50 -0.19 0.14 -0.10 0.00 0.00 175.22 170.66 1nbc s VAL 136 N 2.50 2.05 -0.14 -0.44 -7.23 -0.29 -4.72 120.40 112.12 1nbc s VAL 136 Ca 0.78 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 1nbc s VAL 136 Cb -0.45 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1nbc s VAL 136 CO 0.35 -0.37 1.48 -0.70 -0.31 0.00 0.00 175.10 175.55 1nbc s GLU 137 N -3.14 4.12 -0.05 4.82 2.12 -1.26 -0.00 118.70 125.30 1nbc s GLU 137 Ca 0.22 1.84 -0.01 0.00 0.36 0.00 0.00 54.97 57.38 1nbc s GLU 137 Cb -0.05 -3.90 0.03 0.00 0.26 0.00 0.00 34.13 30.46 1nbc s GLU 137 CO 0.09 -0.89 0.01 -0.46 -0.54 0.00 0.00 175.26 173.47 1nbc s TRP 138 N 4.06 0.41 -1.68 5.30 -0.00 -1.26 -4.95 118.94 120.83 1nbc s TRP 138 Ca 0.65 -0.02 0.19 0.00 -0.00 0.00 0.00 56.10 56.92 1nbc s TRP 138 Cb -0.26 -0.58 0.61 0.00 -0.00 0.00 0.00 33.47 33.23 1nbc s TRP 138 CO 0.23 -0.22 1.50 -0.40 -0.00 0.00 0.00 176.95 178.07 1nbc n ASP 139 N 4.75 3.82 -1.39 5.86 5.75 -1.26 -4.07 116.55 130.01 1nbc n ASP 139 Ca -0.14 -2.16 0.10 0.00 -0.01 0.00 0.00 54.79 52.58 1nbc n ASP 139 Cb 0.50 -0.48 0.32 0.00 -1.03 0.00 0.00 41.12 40.43 1nbc n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nbc n GLN 140 N 1.25 3.04 -4.99 0.11 6.02 -1.26 0.21 117.38 121.76 1nbc n GLN 140 Ca 0.22 -2.59 -0.30 0.00 -0.01 0.00 0.00 57.00 54.32 1nbc n GLN 140 Cb 0.65 -1.68 -0.15 0.00 1.02 0.00 0.00 30.24 30.08 1nbc n GLN 140 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1nbc s VAL 141 N -1.40 2.13 0.22 5.09 -7.23 -1.26 -4.12 120.40 113.84 1nbc s VAL 141 Ca 0.47 -1.33 0.11 0.00 -1.81 0.00 0.00 61.98 59.42 1nbc s VAL 141 Cb 0.27 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1nbc s VAL 141 CO 0.28 0.41 -0.17 0.42 -0.31 0.00 0.00 175.10 175.73 1nbc s THR 142 N -0.77 2.71 0.02 5.32 -4.23 -1.07 -4.00 115.64 113.62 1nbc s THR 142 Ca 0.11 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1nbc s THR 142 Cb -0.10 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1nbc s THR 142 CO 0.01 -0.22 -0.09 0.00 -0.54 0.00 0.00 174.62 173.78 1nbc s ALA 143 N -1.99 0.71 0.02 3.99 0.00 -0.78 -0.65 121.76 123.06 1nbc s ALA 143 Ca 0.25 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1nbc s ALA 143 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1nbc s ALA 143 CO 0.14 0.10 -0.07 0.71 0.00 0.00 0.00 175.76 176.63 1nbc s TYR 144 N -0.76 0.65 -0.26 0.00 1.51 0.15 -1.06 117.35 117.58 1nbc s TYR 144 Ca -0.02 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1nbc s TYR 144 Cb -0.06 -0.40 0.05 0.00 -0.11 0.00 0.00 41.96 41.44 1nbc s TYR 144 CO 0.00 -0.03 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.80 1nbc s LEU 145 N -0.81 3.41 -1.30 -1.29 1.43 -0.23 -1.77 118.68 118.13 1nbc s LEU 145 Ca -0.03 -1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 51.74 1nbc s LEU 145 Cb -0.06 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1nbc s LEU 145 CO 0.00 -0.18 0.91 0.59 0.23 0.00 0.00 176.35 177.90 1nbc n ASN 146 N 4.48 -2.59 0.00 2.29 4.13 0.33 -1.83 115.26 122.07 1nbc n ASN 146 Ca -0.14 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1nbc n ASN 146 Cb 0.43 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 1nbc n ASN 146 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nbc n GLY 147 N -1.47 1.70 3.75 7.41 0.00 -1.26 -4.98 105.19 110.33 1nbc n GLY 147 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1nbc n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nbc s VAL 148 N -2.72 5.25 -0.04 1.61 1.01 -0.76 -5.02 120.40 119.72 1nbc s VAL 148 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1nbc s VAL 148 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1nbc s VAL 148 CO 0.00 0.41 1.58 -0.22 0.00 0.00 0.00 175.10 176.87 1nbc s LEU 149 N 0.21 4.31 0.00 3.92 2.96 -1.26 -1.07 118.68 127.76 1nbc s LEU 149 Ca 0.20 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1nbc s LEU 149 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1nbc s LEU 149 CO 0.07 -0.87 0.40 1.33 -1.32 0.00 0.00 176.35 175.95 1nbc n VAL 150 N 5.25 0.00 -3.64 1.68 0.24 -0.22 -4.95 118.33 116.69 1nbc n VAL 150 Ca 0.16 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1nbc n VAL 150 Cb 0.43 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1nbc n VAL 150 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1nbc s TRP 151 N -0.09 -0.80 0.00 6.34 -0.11 -1.13 -4.80 118.94 118.35 1nbc s TRP 151 Ca 0.00 1.86 0.00 0.00 1.22 0.00 0.00 56.10 59.18 1nbc s TRP 151 Cb 0.00 0.32 0.00 0.00 -1.50 0.00 0.00 33.47 32.29 1nbc s TRP 151 CO 0.00 -0.39 0.00 0.41 -4.62 0.00 0.00 176.95 172.35 1nbc n GLY 152 N 3.03 -0.43 3.35 5.86 0.00 -1.26 -1.86 105.19 113.88 1nbc n GLY 152 Ca -0.15 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1nbc n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nbc s LYS 153 N -1.74 3.40 0.46 1.61 1.02 0.13 -4.95 119.74 119.68 1nbc s LYS 153 Ca 0.00 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 55.15 1nbc s LYS 153 Cb 0.00 -2.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.35 1nbc s LYS 153 CO 0.00 -0.01 0.99 -1.21 -0.92 0.00 0.00 175.35 174.20 1nbc s GLU 154 N 0.97 4.03 0.00 1.68 2.02 -1.26 -4.66 118.70 121.48 1nbc s GLU 154 Ca -0.01 1.20 0.10 0.00 0.02 0.00 0.00 54.97 56.28 1nbc s GLU 154 Cb -0.15 -2.14 0.58 0.00 0.10 0.00 0.00 34.13 32.52 1nbc s GLU 154 CO -0.00 -0.21 1.02 -0.35 0.02 0.00 0.00 175.26 175.74