#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj3 n PRO 3 N 0.08 -0.28 0.16 0.00 -0.02 -1.26 -4.77 135.00 128.90 1bj3 n PRO 3 Ca -0.11 -0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1bj3 n PRO 3 Cb 0.57 -1.31 0.53 0.00 -0.02 0.00 0.00 33.50 33.27 1bj3 n PRO 3 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bj3 h SER 4 N -1.28 0.00 0.10 2.55 4.64 -2.04 -2.29 113.55 115.22 1bj3 h SER 4 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1bj3 h SER 4 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1bj3 h SER 4 CO 0.27 0.00 -0.39 -0.90 -0.87 0.00 0.00 176.83 174.95 1bj3 n ASP 5 N -2.39 1.57 -4.79 4.97 5.75 -1.26 -4.96 116.55 115.45 1bj3 n ASP 5 Ca 0.02 -1.23 -0.27 0.00 -0.01 0.00 0.00 54.79 53.30 1bj3 n ASP 5 Cb 0.23 0.34 -0.06 0.00 -1.03 0.00 0.00 41.12 40.60 1bj3 n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1bj3 s TRP 6 N -2.50 3.14 -0.11 2.11 0.52 -0.86 -4.84 118.94 116.39 1bj3 s TRP 6 Ca 0.21 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.27 1bj3 s TRP 6 Cb 0.19 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 1bj3 s TRP 6 CO 0.55 0.52 0.06 0.45 0.02 0.00 0.00 176.95 178.55 1bj3 s SER 7 N -3.03 5.67 -0.19 2.95 0.15 0.14 -4.77 113.70 114.63 1bj3 s SER 7 Ca 0.31 0.24 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 1bj3 s SER 7 Cb -0.10 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1bj3 s SER 7 CO 0.23 0.36 0.15 -0.55 1.20 0.00 0.00 173.24 174.64 1bj3 s SER 8 N -0.77 6.25 -0.07 5.45 0.15 -1.26 -0.85 113.70 122.60 1bj3 s SER 8 Ca 0.12 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 1bj3 s SER 8 Cb -0.12 -2.10 0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1bj3 s SER 8 CO 0.03 0.18 0.13 -0.47 1.20 0.00 0.00 173.24 174.30 1bj3 s TYR 9 N 0.32 -0.11 -1.45 3.44 6.14 -0.00 -4.94 117.35 120.75 1bj3 s TYR 9 Ca 0.09 0.50 -0.09 0.00 0.64 0.00 0.00 57.07 58.22 1bj3 s TYR 9 Cb -0.11 -0.30 0.01 0.00 0.42 0.00 0.00 41.96 41.97 1bj3 s TYR 9 CO -0.01 -0.24 0.21 0.39 0.64 0.00 0.00 175.55 176.55 1bj3 n GLU 10 N 5.22 -1.01 -1.26 4.97 1.02 -1.26 -0.59 120.64 127.73 1bj3 n GLU 10 Ca -0.06 0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1bj3 n GLU 10 Cb 0.50 -3.43 -0.03 0.00 -0.02 0.00 0.00 31.44 28.46 1bj3 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bj3 n GLY 11 N -2.40 0.84 3.19 0.62 0.00 -1.26 -5.02 105.19 101.15 1bj3 n GLY 11 Ca -0.27 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1bj3 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bj3 s HIS 12 N -2.25 1.00 -0.18 1.61 3.76 0.24 -1.80 115.29 117.66 1bj3 s HIS 12 Ca 0.00 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1bj3 s HIS 12 Cb 0.00 -0.55 0.02 0.00 1.11 0.00 0.00 32.58 33.16 1bj3 s HIS 12 CO 0.00 -0.07 -0.18 0.00 -0.85 0.00 0.00 174.74 173.64 1bj3 s TYR 14 N 1.30 2.77 -0.16 0.00 2.02 -0.03 -2.58 117.35 120.67 1bj3 s TYR 14 Ca 0.03 -0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.54 1bj3 s TYR 14 Cb -0.14 -1.66 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 1bj3 s TYR 14 CO -0.12 0.21 0.35 0.21 -1.57 0.00 0.00 175.55 174.63 1bj3 s LYS 15 N -0.70 0.27 0.09 -0.62 2.47 -0.81 0.28 119.74 120.71 1bj3 s LYS 15 Ca 0.11 0.83 -0.12 0.00 -1.56 0.00 0.00 55.97 55.23 1bj3 s LYS 15 Cb -0.11 0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.29 1bj3 s LYS 15 CO 0.01 -0.23 0.44 -1.25 0.16 0.00 0.00 175.35 174.49 1bj3 s PRO 16 N 2.10 3.85 0.54 4.03 0.04 -1.26 -0.69 135.00 143.60 1bj3 s PRO 16 Ca -0.04 0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.32 1bj3 s PRO 16 Cb -0.11 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1bj3 s PRO 16 CO -0.11 0.56 0.13 -0.06 0.04 0.00 0.00 177.00 177.56 1bj3 s PHE 17 N -1.37 1.69 -0.20 0.56 0.40 0.57 -4.99 117.98 114.64 1bj3 s PHE 17 Ca 0.33 -0.96 0.21 0.00 -0.60 0.00 0.00 56.93 55.91 1bj3 s PHE 17 Cb -0.15 -1.68 0.45 0.00 0.51 0.00 0.00 43.02 42.15 1bj3 s PHE 17 CO 0.18 -0.03 1.18 -1.13 0.70 0.00 0.00 175.22 176.12 1bj3 n SER 18 N -1.46 0.88 -4.03 1.36 3.41 -1.26 -4.03 113.62 108.49 1bj3 n SER 18 Ca -0.15 -2.04 -0.33 0.00 -0.26 0.00 0.00 58.87 56.09 1bj3 n SER 18 Cb 0.66 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1bj3 n SER 18 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1bj3 s GLU 19 N -2.19 1.95 -0.23 4.33 2.12 -1.26 -5.01 118.70 118.41 1bj3 s GLU 19 Ca 0.25 -2.23 -0.38 0.00 0.36 0.00 0.00 54.97 52.97 1bj3 s GLU 19 Cb 0.34 -3.42 -0.14 0.00 0.26 0.00 0.00 34.13 31.16 1bj3 s GLU 19 CO -0.08 -1.06 1.83 -2.30 -0.54 0.00 0.00 175.26 173.11 1bj3 n PRO 20 N 3.82 1.46 -4.09 4.30 -0.02 -1.26 -4.79 135.00 134.42 1bj3 n PRO 20 Ca 0.04 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1bj3 n PRO 20 Cb 0.38 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 1bj3 n PRO 20 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bj3 s LYS 21 N 3.98 0.62 1.23 -0.52 1.02 -1.00 -4.77 119.74 120.29 1bj3 s LYS 21 Ca 0.98 -1.08 -0.17 0.00 0.02 0.00 0.00 55.97 55.72 1bj3 s LYS 21 Cb -0.94 -0.02 0.30 0.00 -0.52 0.00 0.00 37.83 36.65 1bj3 s LYS 21 CO 0.60 -0.05 1.02 0.54 -0.92 0.00 0.00 175.35 176.54 1bj3 s ASN 22 N -2.49 0.53 0.07 2.83 2.20 -1.24 -3.59 114.94 113.25 1bj3 s ASN 22 Ca 0.02 1.12 -0.30 0.00 -0.94 0.00 0.00 52.86 52.76 1bj3 s ASN 22 Cb 0.01 -1.69 -0.18 0.00 -2.00 0.00 0.00 41.25 37.39 1bj3 s ASN 22 CO -0.05 -4.42 1.60 -0.25 -2.94 0.00 0.00 177.10 171.04 1bj3 h TRP 23 N -2.78 -0.62 -0.31 1.54 7.01 -1.66 -0.34 115.95 118.80 1bj3 h TRP 23 Ca -0.53 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 60.50 1bj3 h TRP 23 Cb 1.33 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 28.55 1bj3 h TRP 23 CO -1.13 -0.36 0.02 0.00 -2.79 0.00 0.00 178.44 174.17 1bj3 h ALA 24 N -0.22 0.29 -0.37 2.65 0.00 -1.92 -1.61 119.26 118.07 1bj3 h ALA 24 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bj3 h ALA 24 Cb 0.53 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1bj3 h ALA 24 CO 0.11 -0.39 0.19 -0.44 0.00 0.00 0.00 179.25 178.73 1bj3 h ASP 25 N 0.11 0.47 0.27 0.00 3.32 -1.91 0.20 116.42 118.89 1bj3 h ASP 25 Ca 0.15 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1bj3 h ASP 25 Cb 0.18 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1bj3 h ASP 25 CO -0.23 0.43 -0.06 0.00 -1.72 0.00 0.00 179.24 177.67 1bj3 h ALA 26 N 1.05 1.26 0.00 3.45 0.00 -0.83 0.32 119.26 124.51 1bj3 h ALA 26 Ca 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1bj3 h ALA 26 Cb 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1bj3 h ALA 26 CO -0.02 0.07 -1.67 1.49 0.00 0.00 0.00 179.25 179.12 1bj3 h GLU 27 N 0.00 0.00 0.20 0.00 4.57 -0.83 -3.20 114.58 115.32 1bj3 h GLU 27 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1bj3 h GLU 27 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1bj3 h GLU 27 CO 0.01 0.50 -0.09 -0.97 -1.18 0.00 0.00 179.01 177.28 1bj3 h ASN 28 N 0.00 -0.22 -0.81 1.04 -0.73 0.72 -3.21 115.58 112.37 1bj3 h ASN 28 Ca -0.27 0.01 0.28 0.00 1.87 0.00 0.00 56.30 58.18 1bj3 h ASN 28 Cb 2.00 0.06 -0.15 0.00 0.27 0.00 0.00 38.32 40.50 1bj3 h ASN 28 CO 0.08 -0.14 0.21 0.33 -0.37 0.00 0.00 177.43 177.54 1bj3 n PHE 29 N -2.83 0.71 0.13 0.67 -0.00 0.99 -0.73 117.46 116.40 1bj3 n PHE 29 Ca -0.03 0.97 0.02 0.00 -0.00 0.00 0.00 57.45 58.40 1bj3 n PHE 29 Cb 0.10 -1.23 0.37 0.00 -0.00 0.00 0.00 39.48 38.73 1bj3 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1bj3 h THR 31 N 0.18 0.94 -0.14 0.00 1.35 -0.98 -2.21 112.91 112.06 1bj3 h THR 31 Ca 0.03 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1bj3 h THR 31 Cb 0.46 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1bj3 h THR 31 CO 0.03 0.38 0.00 0.00 -0.25 0.00 0.00 175.52 175.68 1bj3 n GLN 32 N -3.60 1.50 0.02 4.72 6.02 -0.77 -3.69 117.38 121.58 1bj3 n GLN 32 Ca -0.01 -0.75 0.11 0.00 -0.01 0.00 0.00 57.00 56.34 1bj3 n GLN 32 Cb 0.50 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 1bj3 n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bj3 n GLN 33 N 0.01 0.30 0.00 -1.09 1.13 -0.83 -4.98 117.38 111.92 1bj3 n GLN 33 Ca 0.13 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1bj3 n GLN 33 Cb 0.23 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1bj3 n GLN 33 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1bj3 n HIS 34 N -1.95 0.00 -1.67 1.08 -0.00 -1.24 -5.02 115.22 106.43 1bj3 n HIS 34 Ca 0.01 0.00 -0.55 0.00 0.46 0.00 0.00 57.72 57.64 1bj3 n HIS 34 Cb 0.44 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.24 1bj3 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bj3 n ALA 35 N -0.17 -0.49 -0.93 1.57 0.00 -1.26 -0.50 120.51 118.73 1bj3 n ALA 35 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1bj3 n ALA 35 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1bj3 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bj3 n GLY 36 N 3.56 0.43 3.83 0.00 0.00 -1.26 -4.84 105.19 106.91 1bj3 n GLY 36 Ca 0.23 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1bj3 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bj3 s GLY 37 N -2.85 2.27 0.31 -0.02 0.00 0.34 -4.47 107.32 102.90 1bj3 s GLY 37 Ca 0.00 0.33 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 1bj3 s GLY 37 CO 0.00 0.61 0.80 0.30 0.00 0.00 0.00 173.10 174.81 1bj3 s HIS 38 N -2.34 -0.02 0.85 1.90 3.76 -0.85 -3.55 115.29 115.04 1bj3 s HIS 38 Ca 0.61 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.88 1bj3 s HIS 38 Cb -0.10 0.77 0.10 0.00 1.11 0.00 0.00 32.58 34.46 1bj3 s HIS 38 CO 0.21 -1.34 1.09 -1.17 -0.85 0.00 0.00 174.74 172.68 1bj3 s LEU 39 N -3.03 2.60 -0.01 0.89 2.96 -1.26 -1.20 118.68 119.62 1bj3 s LEU 39 Ca 0.14 1.66 -0.30 0.00 -0.22 0.00 0.00 54.13 55.41 1bj3 s LEU 39 Cb -0.05 -4.19 -0.06 0.00 0.50 0.00 0.00 46.19 42.39 1bj3 s LEU 39 CO 0.09 -2.41 1.52 0.54 -1.32 0.00 0.00 176.35 174.76 1bj3 s VAL 40 N -2.90 3.56 -0.26 1.68 0.11 0.12 -4.53 120.40 118.17 1bj3 s VAL 40 Ca 0.63 0.88 -0.06 0.00 -2.93 0.00 0.00 61.98 60.49 1bj3 s VAL 40 Cb -0.18 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1bj3 s VAL 40 CO 0.57 -0.03 0.05 -0.94 -3.33 0.00 0.00 175.10 171.42 1bj3 s SER 41 N 2.41 4.93 -0.67 3.54 1.04 -1.26 -0.63 113.70 123.06 1bj3 s SER 41 Ca 0.68 -0.50 -0.22 0.00 0.48 0.00 0.00 55.95 56.39 1bj3 s SER 41 Cb -0.33 -1.86 0.08 0.00 0.10 0.00 0.00 66.02 64.01 1bj3 s SER 41 CO 0.28 -0.11 0.95 -0.36 0.98 0.00 0.00 173.24 174.98 1bj3 s PHE 42 N 1.52 2.73 -1.99 5.02 0.08 -1.26 -4.87 117.98 119.21 1bj3 s PHE 42 Ca 0.04 -0.65 0.30 0.00 0.12 0.00 0.00 56.93 56.75 1bj3 s PHE 42 Cb -0.16 -4.26 1.58 0.00 -0.57 0.00 0.00 43.02 39.60 1bj3 s PHE 42 CO 0.01 -1.60 2.05 1.04 -0.10 0.00 0.00 175.22 176.62 1bj3 n GLN 43 N 7.49 1.03 -3.68 0.44 3.00 -1.26 -4.93 117.38 119.47 1bj3 n GLN 43 Ca -0.03 -0.24 -0.01 0.00 -0.01 0.00 0.00 57.00 56.72 1bj3 n GLN 43 Cb 0.45 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.19 1bj3 n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1bj3 s SER 44 N -2.14 -0.11 0.12 1.08 1.04 -1.26 -5.02 113.70 107.41 1bj3 s SER 44 Ca 0.41 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.45 1bj3 s SER 44 Cb 0.21 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 1bj3 s SER 44 CO 0.39 -0.57 1.46 0.77 0.98 0.00 0.00 173.24 176.27 1bj3 h SER 45 N 2.00 0.85 0.39 7.02 4.64 -1.97 -0.44 113.55 126.04 1bj3 h SER 45 Ca -0.27 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 60.58 1bj3 h SER 45 Cb 1.22 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1bj3 h SER 45 CO 0.27 1.12 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.83 1bj3 h GLU 46 N 0.59 -0.50 -1.01 4.77 3.07 -1.98 0.23 114.58 119.74 1bj3 h GLU 46 Ca 0.06 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.03 1bj3 h GLU 46 Cb 0.85 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 1bj3 h GLU 46 CO 0.07 -0.29 0.65 1.49 -1.40 0.00 0.00 179.01 179.54 1bj3 h GLU 47 N -0.61 1.14 -0.09 2.33 4.81 -1.96 0.58 114.58 120.78 1bj3 h GLU 47 Ca -0.05 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1bj3 h GLU 47 Cb 0.45 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1bj3 h GLU 47 CO 0.09 0.76 -0.33 0.00 -0.73 0.00 0.00 179.01 178.79 1bj3 h ALA 48 N 1.46 1.26 0.04 2.92 0.00 -0.83 -1.59 119.26 122.52 1bj3 h ALA 48 Ca 0.44 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bj3 h ALA 48 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bj3 h ALA 48 CO -0.18 0.51 -0.02 -0.44 0.00 0.00 0.00 179.25 179.12 1bj3 h ASP 49 N 0.16 -0.04 -0.66 0.00 3.32 0.10 -2.52 116.42 116.78 1bj3 h ASP 49 Ca 0.02 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 56.59 1bj3 h ASP 49 Cb 0.67 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 1bj3 h ASP 49 CO 0.05 0.64 -0.08 0.15 -1.72 0.00 0.00 179.24 178.28 1bj3 h PHE 50 N -0.77 -0.19 -0.44 4.55 3.57 -0.81 0.48 116.94 123.32 1bj3 h PHE 50 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1bj3 h PHE 50 Cb 0.66 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1bj3 h PHE 50 CO 0.16 -0.24 0.21 0.28 -2.23 0.00 0.00 178.31 176.49 1bj3 h VAL 51 N 0.05 1.15 -0.19 1.41 2.07 -1.33 -0.98 116.25 118.44 1bj3 h VAL 51 Ca 0.34 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1bj3 h VAL 51 Cb 0.55 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1bj3 h VAL 51 CO -0.63 0.17 -0.35 0.58 0.02 0.00 0.00 177.57 177.36 1bj3 h VAL 52 N 0.62 1.34 -0.37 2.57 2.07 0.30 -1.21 116.25 121.57 1bj3 h VAL 52 Ca 0.16 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1bj3 h VAL 52 Cb 0.06 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1bj3 h VAL 52 CO -0.02 0.49 0.07 0.11 0.02 0.00 0.00 177.57 178.23 1bj3 h LYS 53 N 0.24 0.55 0.04 1.57 1.57 -0.72 -2.02 116.57 117.80 1bj3 h LYS 53 Ca 0.01 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1bj3 h LYS 53 Cb 0.95 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1bj3 h LYS 53 CO 0.08 0.52 -0.02 1.25 -0.57 0.00 0.00 179.45 180.71 1bj3 h LEU 54 N 0.53 -0.05 -1.22 2.94 5.85 -1.01 -1.77 115.31 120.58 1bj3 h LEU 54 Ca 0.12 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1bj3 h LEU 54 Cb 0.24 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1bj3 h LEU 54 CO -0.00 0.31 -0.27 0.00 -0.34 0.00 0.00 178.44 178.14 1bj3 h ALA 55 N 0.51 1.35 0.09 1.25 0.00 -1.15 -2.99 119.26 118.32 1bj3 h ALA 55 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bj3 h ALA 55 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bj3 h ALA 55 CO 0.01 0.45 -0.04 0.35 0.00 0.00 0.00 179.25 180.02 1bj3 h PHE 56 N 0.17 -0.11 -1.29 0.00 3.57 -1.31 -2.82 116.94 115.15 1bj3 h PHE 56 Ca 0.03 -0.00 0.39 0.00 3.53 0.00 0.00 57.97 61.91 1bj3 h PHE 56 Cb 0.58 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.26 1bj3 h PHE 56 CO 0.01 -0.07 0.87 1.96 -2.23 0.00 0.00 178.31 178.85 1bj3 h GLN 57 N -0.14 0.14 0.00 1.11 1.08 -1.40 0.72 115.11 116.62 1bj3 h GLN 57 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1bj3 h GLN 57 Cb 0.09 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1bj3 h GLN 57 CO 0.02 0.09 0.00 2.41 -0.95 0.00 0.00 178.83 180.40 1bj3 n THR 58 N -4.49 0.00 1.02 -0.54 -1.04 -1.13 -4.37 114.28 103.73 1bj3 n THR 58 Ca 0.33 0.28 0.04 0.00 -2.04 0.00 0.00 64.05 62.65 1bj3 n THR 58 Cb 1.31 -0.63 0.12 0.00 -1.82 0.00 0.00 70.33 69.31 1bj3 n THR 58 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1bj3 n PHE 59 N -0.29 0.42 0.00 -1.42 3.72 -1.07 -4.97 117.46 113.86 1bj3 n PHE 59 Ca 0.00 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1bj3 n PHE 59 Cb 0.00 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1bj3 n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bj3 n GLY 60 N 0.77 0.00 0.00 1.37 0.00 0.25 -4.56 105.19 103.02 1bj3 n GLY 60 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bj3 n GLY 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bj3 n HIS 61 N 0.00 0.00 -3.75 1.61 -0.00 -1.26 -4.83 115.22 106.98 1bj3 n HIS 61 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1bj3 n HIS 61 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 1bj3 n HIS 61 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bj3 n SER 62 N 0.00 -1.24 -4.45 0.26 2.88 -1.26 -5.00 113.62 104.80 1bj3 n SER 62 Ca 0.00 -1.66 -0.35 0.00 -1.33 0.00 0.00 58.87 55.53 1bj3 n SER 62 Cb 0.00 2.02 -0.12 0.00 -0.75 0.00 0.00 64.21 65.36 1bj3 n SER 62 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1bj3 s ILE 63 N -2.22 3.94 0.13 2.46 -4.36 -1.26 -2.18 121.20 117.71 1bj3 s ILE 63 Ca 0.16 -0.32 0.05 0.00 -0.26 0.00 0.00 60.65 60.28 1bj3 s ILE 63 Cb -0.02 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 1bj3 s ILE 63 CO 0.04 0.44 0.07 -0.36 0.24 0.00 0.00 174.94 175.37 1bj3 s PHE 64 N 0.90 3.08 0.68 1.37 0.40 0.11 -0.36 117.98 124.17 1bj3 s PHE 64 Ca 0.01 -0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1bj3 s PHE 64 Cb -0.14 -1.53 0.16 0.00 0.51 0.00 0.00 43.02 42.02 1bj3 s PHE 64 CO 0.02 0.51 0.77 0.91 0.70 0.00 0.00 175.22 178.13 1bj3 n TRP 65 N 0.08 -3.81 -3.78 0.36 5.03 0.93 -0.86 117.44 115.38 1bj3 n TRP 65 Ca -0.09 -0.69 -0.09 0.00 3.03 0.00 0.00 57.50 59.66 1bj3 n TRP 65 Cb 0.53 -0.67 -0.03 0.00 -1.03 0.00 0.00 31.31 30.11 1bj3 n TRP 65 CO 0.00 0.00 0.00 1.41 -0.03 0.00 0.00 177.69 179.07 1bj3 s MET 66 N -4.71 1.54 0.00 -0.99 -2.45 -1.20 -4.32 119.30 107.17 1bj3 s MET 66 Ca 0.46 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1bj3 s MET 66 Cb -0.03 0.55 0.00 0.00 1.25 0.00 0.00 34.83 36.61 1bj3 s MET 66 CO 0.34 -0.68 0.38 0.41 1.05 0.00 0.00 175.02 176.52 1bj3 n GLY 67 N -0.39 0.71 3.33 2.11 0.00 0.19 -4.77 105.19 106.37 1bj3 n GLY 67 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1bj3 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj3 s LEU 68 N -0.17 2.44 0.00 0.99 1.43 -1.26 -4.98 118.68 117.13 1bj3 s LEU 68 Ca 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1bj3 s LEU 68 Cb 0.00 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 1bj3 s LEU 68 CO 0.00 0.21 0.09 -1.54 0.23 0.00 0.00 176.35 175.35 1bj3 n SER 69 N 3.19 -0.25 -3.19 2.29 3.41 -1.26 -1.58 113.62 116.22 1bj3 n SER 69 Ca -0.18 -1.45 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 1bj3 n SER 69 Cb 0.52 0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.93 1bj3 n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bj3 n ASN 70 N -2.29 -0.48 0.24 4.04 5.15 -0.99 -4.76 115.26 116.17 1bj3 n ASN 70 Ca 0.01 -0.65 -0.15 0.00 -0.60 0.00 0.00 54.58 53.19 1bj3 n ASN 70 Cb 0.13 -0.83 -0.08 0.00 -0.53 0.00 0.00 39.78 38.48 1bj3 n ASN 70 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1bj3 h VAL 71 N -0.45 0.49 -0.01 3.44 -1.51 -1.89 -3.33 116.25 112.99 1bj3 h VAL 71 Ca -0.32 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1bj3 h VAL 71 Cb 0.72 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1bj3 h VAL 71 CO 0.43 0.06 -0.49 0.79 -1.23 0.00 0.00 177.57 177.13 1bj3 n TRP 72 N -5.26 0.00 -0.27 5.19 8.01 -1.26 -4.42 117.44 119.43 1bj3 n TRP 72 Ca -0.11 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.15 1bj3 n TRP 72 Cb 0.30 -0.02 0.30 0.00 -2.01 0.00 0.00 31.31 29.88 1bj3 n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1bj3 h ASN 73 N 2.10 0.79 -0.84 -0.99 4.21 -1.93 -2.30 115.58 116.61 1bj3 h ASN 73 Ca 0.00 0.02 -0.47 0.00 1.21 0.00 0.00 56.30 57.06 1bj3 h ASN 73 Cb 0.71 -0.15 -0.26 0.00 -1.12 0.00 0.00 38.32 37.50 1bj3 h ASN 73 CO 0.00 0.48 0.46 0.00 -1.29 0.00 0.00 177.43 177.08 1bj3 n GLN 74 N -4.51 2.28 -2.25 0.81 1.13 -1.26 -4.96 117.38 108.62 1bj3 n GLN 74 Ca 0.14 -3.15 -0.28 0.00 -1.94 0.00 0.00 57.00 51.77 1bj3 n GLN 74 Cb 0.28 -2.12 0.02 0.00 0.11 0.00 0.00 30.24 28.53 1bj3 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bj3 s ASN 76 N -4.23 6.63 -0.13 0.00 0.02 -1.26 -5.01 114.94 110.95 1bj3 s ASN 76 Ca 0.53 0.45 -0.03 0.00 -1.02 0.00 0.00 52.86 52.80 1bj3 s ASN 76 Cb -0.11 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.60 1bj3 s ASN 76 CO 0.48 -1.21 -0.05 0.26 0.02 0.00 0.00 177.10 176.61 1bj3 s TRP 77 N 4.32 3.00 -0.01 2.20 0.52 -1.26 -5.09 118.94 122.62 1bj3 s TRP 77 Ca 0.46 -0.25 -0.27 0.00 0.02 0.00 0.00 56.10 56.07 1bj3 s TRP 77 Cb -0.08 -1.90 0.06 0.00 -1.15 0.00 0.00 33.47 30.41 1bj3 s TRP 77 CO 0.30 0.04 0.60 1.14 0.02 0.00 0.00 176.95 179.05 1bj3 s GLN 78 N 0.09 1.03 0.76 4.98 -2.07 -1.26 -3.79 119.66 119.40 1bj3 s GLN 78 Ca -0.01 0.04 -0.11 0.00 -1.82 0.00 0.00 55.36 53.46 1bj3 s GLN 78 Cb -0.14 0.48 0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1bj3 s GLN 78 CO 0.03 -0.34 1.08 -1.58 -1.32 0.00 0.00 175.29 173.15 1bj3 s TRP 79 N -1.69 2.88 -0.97 9.60 0.52 -0.54 -4.95 118.94 123.79 1bj3 s TRP 79 Ca -0.09 1.34 0.16 0.00 0.02 0.00 0.00 56.10 57.53 1bj3 s TRP 79 Cb -0.01 -3.00 0.68 0.00 -1.15 0.00 0.00 33.47 29.99 1bj3 s TRP 79 CO 0.05 -1.58 1.51 -1.13 0.02 0.00 0.00 176.95 175.82 1bj3 n SER 80 N -3.34 0.04 -0.92 2.95 3.41 -1.26 -1.87 113.62 112.63 1bj3 n SER 80 Ca 0.08 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 1bj3 n SER 80 Cb 0.54 -0.52 0.19 0.00 -0.26 0.00 0.00 64.21 64.16 1bj3 n SER 80 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1bj3 n ASN 81 N -1.55 2.62 0.00 4.04 6.94 -1.26 -4.89 115.26 121.16 1bj3 n ASN 81 Ca 0.04 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1bj3 n ASN 81 Cb 0.18 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1bj3 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bj3 n ALA 82 N 0.51 0.00 -1.77 -2.53 0.00 -0.78 -5.03 120.51 110.90 1bj3 n ALA 82 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1bj3 n ALA 82 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1bj3 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bj3 s ALA 83 N -3.31 2.83 0.74 0.00 0.00 -1.25 -4.82 121.76 115.95 1bj3 s ALA 83 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1bj3 s ALA 83 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.79 1bj3 s ALA 83 CO 0.00 -0.69 1.12 0.00 0.00 0.00 0.00 175.76 176.19 1bj3 s MET 84 N -3.01 2.59 -0.13 0.00 0.23 -1.26 -1.47 119.30 116.25 1bj3 s MET 84 Ca 0.68 0.36 -0.29 0.00 -1.03 0.00 0.00 55.69 55.41 1bj3 s MET 84 Cb -0.26 -2.00 -0.01 0.00 -1.53 0.00 0.00 34.83 31.03 1bj3 s MET 84 CO 0.30 -1.20 1.11 -1.17 -2.03 0.00 0.00 175.02 172.02 1bj3 s LEU 85 N -5.43 4.21 0.03 0.18 2.96 -1.25 -4.72 118.68 114.65 1bj3 s LEU 85 Ca 0.59 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1bj3 s LEU 85 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1bj3 s LEU 85 CO 0.51 -0.59 0.00 -1.14 -1.32 0.00 0.00 176.35 173.81 1bj3 n ARG 86 N 5.66 0.00 -1.73 1.98 0.00 -1.26 -5.07 116.66 116.24 1bj3 n ARG 86 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.63 1bj3 n ARG 86 Cb 0.47 -0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.97 1bj3 n ARG 86 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1bj3 s TYR 87 N -1.09 2.62 -0.00 -0.14 5.04 -1.26 -5.05 117.35 117.47 1bj3 s TYR 87 Ca 0.00 1.55 -0.04 0.00 -2.44 0.00 0.00 57.07 56.14 1bj3 s TYR 87 Cb 0.00 -3.16 -0.00 0.00 0.35 0.00 0.00 41.96 39.14 1bj3 s TYR 87 CO 0.00 -1.70 0.07 0.15 -1.34 0.00 0.00 175.55 172.73 1bj3 s LYS 88 N -4.14 0.33 -0.02 4.97 1.02 -1.26 -5.03 119.74 115.61 1bj3 s LYS 88 Ca 0.67 -0.35 0.13 0.00 0.02 0.00 0.00 55.97 56.44 1bj3 s LYS 88 Cb -0.20 0.13 0.22 0.00 -0.52 0.00 0.00 37.83 37.46 1bj3 s LYS 88 CO 0.42 -0.07 1.10 0.00 -0.92 0.00 0.00 175.35 175.89 1bj3 n ALA 89 N 1.88 3.08 -1.73 5.17 0.00 -1.26 -5.12 120.51 122.53 1bj3 n ALA 89 Ca -0.21 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.31 1bj3 n ALA 89 Cb 0.56 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 1bj3 n ALA 89 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1bj3 n TRP 90 N 0.12 2.67 0.10 0.00 7.02 -1.26 -4.92 117.44 121.18 1bj3 n TRP 90 Ca -0.12 0.33 -0.03 0.00 -1.02 0.00 0.00 57.50 56.66 1bj3 n TRP 90 Cb 0.90 -2.55 0.00 0.00 -2.42 0.00 0.00 31.31 27.25 1bj3 n TRP 90 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bj3 h ALA 91 N 4.41 0.59 -3.64 6.99 0.00 -2.05 -3.43 119.26 122.12 1bj3 h ALA 91 Ca -0.47 -0.72 -0.44 0.00 0.00 0.00 0.00 54.91 53.28 1bj3 h ALA 91 Cb 1.24 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 18.58 1bj3 h ALA 91 CO 0.76 0.99 -0.79 -2.00 0.00 0.00 0.00 179.25 178.21 1bj3 s GLU 92 N -3.01 1.11 0.27 0.00 2.56 -1.26 -5.07 118.70 113.30 1bj3 s GLU 92 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.97 54.72 1bj3 s GLU 92 Cb 0.10 -1.01 0.36 0.00 2.00 0.00 0.00 34.13 35.58 1bj3 s GLU 92 CO 0.79 0.05 1.66 1.05 -0.56 0.00 0.00 175.26 178.25 1bj3 h GLU 93 N 6.71 0.39 -1.90 4.30 9.09 -2.03 -3.47 114.58 127.68 1bj3 h GLU 93 Ca -0.34 -0.19 -0.03 0.00 0.05 0.00 0.00 59.36 58.86 1bj3 h GLU 93 Cb 1.17 -0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 28.07 1bj3 h GLU 93 CO 0.48 0.72 0.27 -1.54 0.05 0.00 0.00 179.01 179.00 1bj3 s SER 94 N -6.86 -0.59 0.06 3.06 1.04 -1.26 -4.95 113.70 104.21 1bj3 s SER 94 Ca -0.06 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.07 1bj3 s SER 94 Cb 0.13 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1bj3 s SER 94 CO 0.79 -0.55 -0.10 -0.31 0.98 0.00 0.00 173.24 174.06 1bj3 s TYR 95 N -1.17 2.76 -0.06 5.02 1.51 -1.26 -1.19 117.35 122.96 1bj3 s TYR 95 Ca -0.09 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1bj3 s TYR 95 Cb -0.00 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1bj3 s TYR 95 CO 0.08 0.38 -0.13 0.00 -1.11 0.00 0.00 175.55 174.77 1bj3 s VAL 97 N 0.49 3.60 0.04 0.00 1.01 -0.61 0.20 120.40 125.13 1bj3 s VAL 97 Ca -0.12 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 1bj3 s VAL 97 Cb -0.14 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1bj3 s VAL 97 CO 0.03 -0.08 0.52 -0.72 0.00 0.00 0.00 175.10 174.85 1bj3 s TYR 98 N -1.74 -0.42 0.43 5.22 1.13 -0.66 -3.23 117.35 118.08 1bj3 s TYR 98 Ca 0.63 0.48 0.04 0.00 -1.41 0.00 0.00 57.07 56.80 1bj3 s TYR 98 Cb -0.22 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 1bj3 s TYR 98 CO 0.26 -0.64 0.03 -0.59 -2.51 0.00 0.00 175.55 172.11 1bj3 s PHE 99 N -2.39 2.12 -0.01 -3.49 -0.12 -0.04 -0.88 117.98 113.17 1bj3 s PHE 99 Ca -0.06 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 55.96 1bj3 s PHE 99 Cb -0.01 -1.56 -0.00 0.00 -0.63 0.00 0.00 43.02 40.82 1bj3 s PHE 99 CO -0.01 0.21 -0.07 -1.59 -0.05 0.00 0.00 175.22 173.71 1bj3 s LYS 100 N -3.80 0.60 0.00 1.99 -2.85 -1.26 0.08 119.74 114.51 1bj3 s LYS 100 Ca 0.24 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 1bj3 s LYS 100 Cb 0.06 -0.59 0.00 0.00 -2.06 0.00 0.00 37.83 35.24 1bj3 s LYS 100 CO 0.12 0.11 0.35 -1.13 0.10 0.00 0.00 175.35 174.90 1bj3 n SER 101 N 3.09 0.00 -0.02 0.03 3.41 -0.93 -2.13 113.62 117.07 1bj3 n SER 101 Ca -0.15 0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1bj3 n SER 101 Cb 0.56 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1bj3 n SER 101 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1bj3 n THR 102 N -0.85 1.58 -3.73 6.66 5.66 -1.26 -4.60 114.28 117.74 1bj3 n THR 102 Ca 0.00 -0.79 -0.10 0.00 -3.05 0.00 0.00 64.05 60.11 1bj3 n THR 102 Cb 0.23 -1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 67.96 1bj3 n THR 102 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1bj3 s ASN 103 N -6.05 -0.18 -0.07 1.09 2.20 -0.91 -5.06 114.94 105.97 1bj3 s ASN 103 Ca -0.05 -0.48 0.00 0.00 -0.94 0.00 0.00 52.86 51.40 1bj3 s ASN 103 Cb 0.08 0.50 0.10 0.00 -2.00 0.00 0.00 41.25 39.92 1bj3 s ASN 103 CO 0.82 -0.92 1.25 0.59 -2.94 0.00 0.00 177.10 175.90 1bj3 n ASN 104 N -0.25 3.44 -4.82 3.54 4.13 -1.26 -4.25 115.26 115.79 1bj3 n ASN 104 Ca -0.13 -2.29 -0.37 0.00 1.68 0.00 0.00 54.58 53.47 1bj3 n ASN 104 Cb 0.63 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 38.19 1bj3 n ASN 104 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bj3 s LYS 105 N -0.51 3.87 -0.19 3.52 -0.14 -1.26 -5.03 119.74 120.01 1bj3 s LYS 105 Ca 0.09 0.19 -0.28 0.00 -1.36 0.00 0.00 55.97 54.60 1bj3 s LYS 105 Cb 0.07 -3.26 -0.00 0.00 -1.68 0.00 0.00 37.83 32.96 1bj3 s LYS 105 CO 0.01 0.60 0.98 -1.58 -0.76 0.00 0.00 175.35 174.60 1bj3 s TRP 106 N -0.66 3.40 0.51 3.18 0.52 -1.26 -4.44 118.94 120.18 1bj3 s TRP 106 Ca 0.20 1.44 0.03 0.00 0.02 0.00 0.00 56.10 57.79 1bj3 s TRP 106 Cb -0.14 -3.19 -0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1bj3 s TRP 106 CO 0.08 -0.36 0.13 1.03 0.02 0.00 0.00 176.95 177.85 1bj3 s ARG 107 N 2.67 2.20 -0.03 4.98 0.52 -0.06 -4.97 118.95 124.26 1bj3 s ARG 107 Ca 0.44 -2.24 -0.00 0.00 -0.52 0.00 0.00 55.73 53.41 1bj3 s ARG 107 Cb -0.16 -1.73 0.03 0.00 0.52 0.00 0.00 34.95 33.60 1bj3 s ARG 107 CO 0.11 -0.40 0.01 -1.54 0.02 0.00 0.00 175.30 173.50 1bj3 s SER 108 N -3.99 0.43 0.10 0.23 1.04 -1.26 -1.66 113.70 108.60 1bj3 s SER 108 Ca 0.18 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1bj3 s SER 108 Cb 0.01 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1bj3 s SER 108 CO 0.10 -0.13 -0.11 -0.60 0.98 0.00 0.00 173.24 173.48 1bj3 s ARG 109 N 1.18 0.87 0.38 4.02 6.06 0.13 -4.93 118.95 126.66 1bj3 s ARG 109 Ca -0.08 -1.14 -0.28 0.00 -2.50 0.00 0.00 55.73 51.74 1bj3 s ARG 109 Cb -0.13 -0.64 -0.11 0.00 0.06 0.00 0.00 34.95 34.13 1bj3 s ARG 109 CO -0.02 0.11 1.49 0.00 -2.50 0.00 0.00 175.30 174.38 1bj3 s ALA 110 N -2.21 3.57 0.11 6.12 0.00 -1.26 0.91 121.76 128.99 1bj3 s ALA 110 Ca 0.05 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 1bj3 s ALA 110 Cb -0.04 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 1bj3 s ALA 110 CO 0.01 -1.08 1.66 0.00 0.00 0.00 0.00 175.76 176.35 1bj3 n ARG 112 N -5.32 0.19 -0.72 0.00 1.74 -1.26 -2.86 116.66 108.43 1bj3 n ARG 112 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1bj3 n ARG 112 Cb 0.24 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1bj3 n ARG 112 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1bj3 n MET 113 N -0.26 0.83 -4.40 5.56 2.81 -1.09 -4.88 117.12 115.70 1bj3 n MET 113 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1bj3 n MET 113 Cb 0.01 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.39 1bj3 n MET 113 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bj3 s MET 114 N -2.05 1.04 0.23 0.03 -1.94 -1.26 -3.59 119.30 111.76 1bj3 s MET 114 Ca 0.00 -0.85 -0.22 0.00 -1.71 0.00 0.00 55.69 52.91 1bj3 s MET 114 Cb 0.00 -1.10 0.06 0.00 2.01 0.00 0.00 34.83 35.80 1bj3 s MET 114 CO 0.00 0.27 0.89 0.00 -0.01 0.00 0.00 175.02 176.17 1bj3 s ALA 115 N -0.91 -1.38 1.00 3.03 0.00 -1.24 -4.88 121.76 117.39 1bj3 s ALA 115 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1bj3 s ALA 115 Cb -0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1bj3 s ALA 115 CO 0.02 -1.04 0.00 1.04 0.00 0.00 0.00 175.76 175.78 1bj3 n GLN 116 N -0.53 -0.07 -3.60 0.00 6.02 0.52 -2.37 117.38 117.35 1bj3 n GLN 116 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.91 1bj3 n GLN 116 Cb 0.60 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.84 1bj3 n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1bj3 s PHE 117 N -0.67 -0.11 -0.09 1.08 -0.71 -1.26 -0.05 117.98 116.17 1bj3 s PHE 117 Ca 0.00 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.95 1bj3 s PHE 117 Cb 0.00 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1bj3 s PHE 117 CO 0.00 -0.25 -0.17 0.08 -1.34 0.00 0.00 175.22 173.54 1bj3 s VAL 118 N -2.47 1.53 0.20 -2.49 1.01 -1.26 -0.32 120.40 116.60 1bj3 s VAL 118 Ca 0.11 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1bj3 s VAL 118 Cb 0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1bj3 s VAL 118 CO -0.04 0.44 0.28 0.00 0.00 0.00 0.00 175.10 175.78 1bj3 s GLU 120 N -3.57 1.12 0.34 0.00 -1.05 -0.34 -1.93 118.70 113.27 1bj3 s GLU 120 Ca 0.34 -0.51 -0.15 0.00 -0.15 0.00 0.00 54.97 54.50 1bj3 s GLU 120 Cb -0.10 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1bj3 s GLU 120 CO 0.28 -0.45 0.69 -0.59 0.95 0.00 0.00 175.26 176.14 1bj3 s PHE 121 N -3.42 0.22 0.31 4.83 -0.12 -1.07 -2.01 117.98 116.73 1bj3 s PHE 121 Ca 0.00 -0.75 0.08 0.00 -0.05 0.00 0.00 56.93 56.21 1bj3 s PHE 121 Cb 0.00 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1bj3 s PHE 121 CO -0.10 -1.37 0.16 1.14 -0.05 0.00 0.00 175.22 175.01 1bj3 s GLN 122 N -2.97 2.53 0.00 1.99 -2.07 -1.26 -0.64 119.66 117.24 1bj3 s GLN 122 Ca 0.18 -1.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 1bj3 s GLN 122 Cb -0.04 -2.30 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 1bj3 s GLN 122 CO 0.12 0.19 0.00 0.00 -1.32 0.00 0.00 175.29 174.27