#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbc h LEU 2 N 0.00 -0.68 -1.87 -4.53 -0.00 -1.78 0.31 115.31 106.75 1bbc h LEU 2 Ca 0.00 0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1bbc h LEU 2 Cb 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1bbc h LEU 2 CO 0.00 -0.23 0.03 0.58 -0.00 0.00 0.00 178.44 178.82 1bbc h VAL 3 N -0.13 1.04 -0.09 1.22 2.07 -1.98 -0.21 116.25 118.16 1bbc h VAL 3 Ca 0.19 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1bbc h VAL 3 Cb 0.43 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1bbc h VAL 3 CO -0.47 0.04 -0.14 0.78 0.02 0.00 0.00 177.57 177.80 1bbc h ASN 4 N 0.11 0.28 -0.67 0.57 -0.26 -0.95 -2.91 115.58 111.74 1bbc h ASN 4 Ca 0.03 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1bbc h ASN 4 Cb 0.03 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 1bbc h ASN 4 CO -0.00 0.75 0.42 0.15 -1.06 0.00 0.00 177.43 177.69 1bbc h PHE 5 N -0.19 0.86 -0.31 1.19 3.57 -0.20 -2.01 116.94 119.85 1bbc h PHE 5 Ca 0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1bbc h PHE 5 Cb 0.70 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1bbc h PHE 5 CO 0.10 0.57 -0.04 0.45 -2.23 0.00 0.00 178.31 177.16 1bbc h HIS 6 N 0.91 0.63 -0.99 0.41 3.86 -1.08 0.79 115.15 119.67 1bbc h HIS 6 Ca 0.24 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1bbc h HIS 6 Cb -0.06 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 1bbc h HIS 6 CO -0.02 0.73 0.65 -0.09 0.86 0.00 0.00 177.93 180.07 1bbc h ARG 7 N 0.35 1.26 0.66 2.45 2.43 -1.43 -0.43 114.38 119.67 1bbc h ARG 7 Ca 0.08 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1bbc h ARG 7 Cb 0.51 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1bbc h ARG 7 CO 0.02 0.84 -0.32 1.98 -1.51 0.00 0.00 179.97 180.98 1bbc h MET 8 N 1.30 -0.86 -0.43 0.20 4.05 -0.60 -1.48 114.93 117.11 1bbc h MET 8 Ca 0.38 0.06 0.09 0.00 -0.28 0.00 0.00 59.70 59.94 1bbc h MET 8 Cb -0.08 0.19 -0.09 0.00 -0.80 0.00 0.00 31.60 30.82 1bbc h MET 8 CO -0.10 -0.54 -0.30 0.82 0.23 0.00 0.00 176.91 177.03 1bbc h ILE 9 N -1.03 0.26 -0.28 1.77 2.04 -0.73 0.34 117.51 119.87 1bbc h ILE 9 Ca -0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.85 1bbc h ILE 9 Cb 0.72 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1bbc h ILE 9 CO 0.15 0.00 0.24 0.50 0.00 0.00 0.00 178.15 179.04 1bbc h LYS 10 N -0.21 0.00 0.22 2.37 3.11 -0.96 0.70 116.57 121.80 1bbc h LYS 10 Ca 0.19 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.71 1bbc h LYS 10 Cb 0.52 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.78 1bbc h LYS 10 CO -0.55 0.00 -1.42 -0.07 -2.81 0.00 0.00 179.45 174.60 1bbc h LEU 11 N 0.00 0.73 0.12 5.20 3.38 0.72 -1.87 115.31 123.58 1bbc h LEU 11 Ca 0.13 -0.78 -0.21 0.00 0.09 0.00 0.00 57.88 57.11 1bbc h LEU 11 Cb 0.62 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1bbc h LEU 11 CO -0.00 1.61 -1.02 0.71 0.09 0.00 0.00 178.44 179.83 1bbc h THR 12 N 0.13 1.31 0.00 0.22 1.35 -0.60 -3.40 112.91 111.92 1bbc h THR 12 Ca -0.22 -2.46 -0.21 0.00 -0.55 0.00 0.00 66.41 62.97 1bbc h THR 12 Cb 2.12 2.98 -0.04 0.00 -1.73 0.00 0.00 68.15 71.48 1bbc h THR 12 CO 0.26 0.69 -1.83 0.35 -0.25 0.00 0.00 175.52 174.74 1bbc n THR 13 N -4.09 1.08 -0.93 6.82 -2.24 0.18 -4.85 114.28 110.25 1bbc n THR 13 Ca -0.19 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1bbc n THR 13 Cb 0.83 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1bbc n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bbc n GLY 14 N 1.49 0.43 3.27 3.38 0.00 -0.70 -5.03 105.19 108.03 1bbc n GLY 14 Ca -0.16 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1bbc n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbc s LYS 15 N -1.78 1.12 -0.70 1.61 -2.85 -1.26 -5.03 119.74 110.86 1bbc s LYS 15 Ca 0.00 -1.37 -0.25 0.00 -1.00 0.00 0.00 55.97 53.35 1bbc s LYS 15 Cb 0.00 -0.94 -0.13 0.00 -2.06 0.00 0.00 37.83 34.69 1bbc s LYS 15 CO 0.00 0.17 2.43 -0.85 0.10 0.00 0.00 175.35 177.20 1bbc n GLU 16 N 0.18 0.67 -0.12 1.78 0.00 -1.26 -4.06 120.64 117.83 1bbc n GLU 16 Ca -0.13 -0.30 -0.11 0.00 0.00 0.00 0.00 57.16 56.62 1bbc n GLU 16 Cb 0.58 -3.12 -0.08 0.00 0.00 0.00 0.00 31.44 28.83 1bbc n GLU 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bbc h ALA 17 N 15.66 -0.67 -0.71 -1.84 0.00 -1.94 -1.54 119.26 128.22 1bbc h ALA 17 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1bbc h ALA 17 Cb 1.17 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 1bbc h ALA 17 CO 1.17 -0.88 0.17 0.00 0.00 0.00 0.00 179.25 179.71 1bbc h ALA 18 N -0.31 0.94 0.06 0.00 0.00 -1.91 0.11 119.26 118.14 1bbc h ALA 18 Ca 0.06 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1bbc h ALA 18 Cb 0.46 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1bbc h ALA 18 CO -0.47 0.66 -1.11 -0.07 0.00 0.00 0.00 179.25 178.26 1bbc h LEU 19 N 1.07 0.73 -0.01 0.00 4.07 -1.97 0.16 115.31 119.37 1bbc h LEU 19 Ca 0.22 -0.64 -0.06 0.00 0.08 0.00 0.00 57.88 57.48 1bbc h LEU 19 Cb 0.37 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1bbc h LEU 19 CO 0.00 1.45 -0.23 0.28 -1.08 0.00 0.00 178.44 178.86 1bbc h SER 20 N 0.27 0.23 -0.01 -0.43 0.02 -1.26 -3.39 113.55 108.98 1bbc h SER 20 Ca -0.14 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1bbc h SER 20 Cb 1.77 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1bbc h SER 20 CO 0.20 0.94 -0.15 -1.22 -1.14 0.00 0.00 176.83 175.46 1bbc n TYR 22 N -4.52 0.00 0.37 3.45 4.01 0.36 -4.54 117.16 116.29 1bbc n TYR 22 Ca -0.09 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.78 1bbc n TYR 22 Cb 0.48 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 39.96 1bbc n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1bbc h GLY 23 N 2.36 0.00 0.00 2.72 0.00 -0.97 -3.36 103.07 103.82 1bbc h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bbc h GLY 23 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1bbc n PHE 24 N -2.70 0.00 -1.81 5.60 3.01 -1.26 -3.93 117.46 116.37 1bbc n PHE 24 Ca 0.03 -0.02 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 1bbc n PHE 24 Cb 0.37 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1bbc n PHE 24 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1bbc s TYR 25 N -0.03 2.64 0.00 1.38 6.14 -0.83 -3.03 117.35 123.62 1bbc s TYR 25 Ca 0.00 1.10 0.00 0.00 0.64 0.00 0.00 57.07 58.81 1bbc s TYR 25 Cb 0.00 -4.02 0.00 0.00 0.42 0.00 0.00 41.96 38.36 1bbc s TYR 25 CO 0.00 -3.06 0.00 0.41 0.64 0.00 0.00 175.55 173.54 1bbc n GLY 26 N 0.82 0.89 0.04 8.97 0.00 -0.69 -1.79 105.19 113.43 1bbc n GLY 26 Ca 0.02 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1bbc n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbc n HIS 28 N -1.97 0.00 0.24 0.00 8.25 -1.25 -2.19 115.22 118.31 1bbc n HIS 28 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 1bbc n HIS 28 Cb 0.42 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.68 1bbc n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bbc n GLY 30 N -0.77 0.91 0.00 0.00 0.00 -1.25 -4.23 105.19 99.84 1bbc n GLY 30 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bbc n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bbc n VAL 31 N 0.00 0.00 -3.96 1.61 0.31 -1.26 -4.93 118.33 110.10 1bbc n VAL 31 Ca 0.00 -0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 63.95 1bbc n VAL 31 Cb 0.00 0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 33.43 1bbc n VAL 31 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bbc s GLY 32 N -0.88 1.87 -0.64 2.92 0.00 -1.26 -5.09 107.32 104.24 1bbc s GLY 32 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 1bbc s GLY 32 CO 0.00 -0.99 0.46 -0.32 0.00 0.00 0.00 173.10 172.25 1bbc s GLY 33 N -2.94 2.51 -0.63 0.20 0.00 -1.26 -4.45 107.32 100.75 1bbc s GLY 33 Ca 0.34 -3.26 -0.08 0.00 0.00 0.00 0.00 44.72 41.71 1bbc s GLY 33 CO 0.27 1.11 0.50 -1.60 0.00 0.00 0.00 173.10 173.38 1bbc s ARG 34 N -0.05 2.82 5.84 2.90 3.00 -0.93 -4.86 118.95 127.66 1bbc s ARG 34 Ca 0.17 -2.25 0.00 0.00 -1.00 0.00 0.00 55.73 52.65 1bbc s ARG 34 Cb -0.20 -3.99 0.00 0.00 0.00 0.00 0.00 34.95 30.76 1bbc s ARG 34 CO -0.04 -1.21 0.00 0.41 0.00 0.00 0.00 175.30 174.46 1bbc n GLY 35 N 4.11 3.52 3.79 8.12 0.00 -1.26 -4.49 105.19 118.99 1bbc n GLY 35 Ca 0.04 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1bbc n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bbc s SER 36 N -4.00 7.22 0.46 1.61 0.01 -1.17 -3.76 113.70 114.08 1bbc s SER 36 Ca 0.00 1.45 -0.25 0.00 1.31 0.00 0.00 55.95 58.46 1bbc s SER 36 Cb 0.00 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1bbc s SER 36 CO 0.00 0.24 1.42 -2.84 0.41 0.00 0.00 173.24 172.46 1bbc s PRO 37 N -1.08 3.63 0.13 12.44 0.02 -1.26 -4.72 135.00 144.16 1bbc s PRO 37 Ca 0.32 2.39 -0.10 0.00 0.02 0.00 0.00 61.00 63.63 1bbc s PRO 37 Cb -0.21 -2.61 -0.06 0.00 0.02 0.00 0.00 34.50 31.63 1bbc s PRO 37 CO 0.23 -0.85 1.40 0.87 -0.33 0.00 0.00 177.00 178.32 1bbc h LYS 38 N 2.24 0.80 0.00 5.54 1.79 -1.95 -3.48 116.57 121.51 1bbc h LYS 38 Ca -0.51 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.42 1bbc h LYS 38 Cb 1.27 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1bbc h LYS 38 CO 0.61 1.16 0.00 -3.47 -1.08 0.00 0.00 179.45 176.67 1bbc n ASP 39 N -3.98 0.00 -0.21 0.86 2.03 -1.26 -5.04 116.55 108.95 1bbc n ASP 39 Ca -0.05 -0.50 -0.09 0.00 0.52 0.00 0.00 54.79 54.68 1bbc n ASP 39 Cb 0.65 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.07 1bbc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bbc h ALA 40 N 2.00 0.77 -0.59 -1.67 0.00 -1.94 -1.64 119.26 116.19 1bbc h ALA 40 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1bbc h ALA 40 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bbc h ALA 40 CO 0.00 0.51 0.39 1.15 0.00 0.00 0.00 179.25 181.30 1bbc h THR 41 N 0.86 1.13 0.00 0.00 2.02 -1.92 -1.88 112.91 113.11 1bbc h THR 41 Ca 0.18 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1bbc h THR 41 Cb 0.40 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1bbc h THR 41 CO 0.01 0.14 -0.40 0.44 0.37 0.00 0.00 175.52 176.08 1bbc h ASP 42 N 0.76 0.00 0.98 4.18 5.19 -1.79 -2.93 116.42 122.82 1bbc h ASP 42 Ca 0.22 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.42 1bbc h ASP 42 Cb -0.04 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 1bbc h ASP 42 CO -0.05 0.40 -1.02 -0.09 -3.12 0.00 0.00 179.24 175.36 1bbc h ARG 43 N 0.00 0.00 0.00 3.56 9.65 -0.51 -3.01 114.38 124.07 1bbc h ARG 43 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1bbc h ARG 43 Cb 1.02 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1bbc h ARG 43 CO 0.05 0.98 -0.01 0.00 2.80 0.00 0.00 179.97 183.79 1bbc h VAL 46 N 0.09 1.26 -0.26 0.00 3.04 -1.29 0.34 116.25 119.44 1bbc h VAL 46 Ca -0.29 -1.06 -0.07 0.00 -1.01 0.00 0.00 66.70 64.26 1bbc h VAL 46 Cb 2.06 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 1bbc h VAL 46 CO 0.18 0.38 -0.15 0.74 -1.01 0.00 0.00 177.57 177.70 1bbc h THR 47 N 0.76 1.23 -0.21 3.17 2.02 -1.19 -1.25 112.91 117.44 1bbc h THR 47 Ca 0.15 -1.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.12 1bbc h THR 47 Cb 0.50 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1bbc h THR 47 CO 0.02 0.33 -0.55 -0.74 0.37 0.00 0.00 175.52 174.96 1bbc h HIS 48 N 0.41 0.79 -0.32 3.16 6.17 -1.24 -0.55 115.15 123.57 1bbc h HIS 48 Ca 0.07 -0.28 -0.01 0.00 0.71 0.00 0.00 60.37 60.86 1bbc h HIS 48 Cb 0.51 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 1bbc h HIS 48 CO 0.02 1.03 0.15 -0.44 0.71 0.00 0.00 177.93 179.40 1bbc h ASP 49 N 0.48 0.41 -0.58 3.26 3.32 -0.72 -1.70 116.42 120.90 1bbc h ASP 49 Ca 0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1bbc h ASP 49 Cb 1.11 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1bbc h ASP 49 CO 0.11 0.42 0.32 0.00 -1.72 0.00 0.00 179.24 178.37 1bbc h TYR 52 N 0.87 0.00 -0.05 0.00 -1.99 -0.67 -3.28 116.97 111.86 1bbc h TYR 52 Ca 0.22 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 1bbc h TYR 52 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1bbc h TYR 52 CO -0.01 0.23 -0.09 -0.22 -0.00 0.00 0.00 178.16 178.08 1bbc h LYS 53 N 0.00 0.14 -0.78 4.88 1.63 0.15 -3.28 116.57 119.32 1bbc h LYS 53 Ca -0.00 -0.09 0.18 0.00 -0.85 0.00 0.00 60.65 59.89 1bbc h LYS 53 Cb 0.95 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 32.47 1bbc h LYS 53 CO 0.03 0.66 0.11 -0.09 -3.45 0.00 0.00 179.45 176.71 1bbc h ARG 54 N -0.37 0.17 -1.75 1.90 2.43 -1.57 -0.69 114.38 114.50 1bbc h ARG 54 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bbc h ARG 54 Cb 0.65 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1bbc h ARG 54 CO 0.02 0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 1bbc n LEU 55 N -5.27 1.80 -4.63 3.80 4.77 -1.24 -4.82 117.00 111.42 1bbc n LEU 55 Ca 0.16 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1bbc n LEU 55 Cb 0.52 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1bbc n LEU 55 CO 0.07 0.32 0.76 -1.83 -1.33 0.00 0.00 177.39 175.38 1bbc s GLU 56 N 0.80 4.06 0.00 3.23 1.03 -0.27 -4.60 118.70 122.95 1bbc s GLU 56 Ca 0.00 0.88 0.00 0.00 0.03 0.00 0.00 54.97 55.88 1bbc s GLU 56 Cb 0.00 -3.71 0.00 0.00 -0.80 0.00 0.00 34.13 29.62 1bbc s GLU 56 CO 0.00 -0.72 0.00 1.17 -1.33 0.00 0.00 175.26 174.38 1bbc n LYS 57 N 6.41 -3.36 -1.03 -4.83 4.81 -1.26 -4.94 118.16 113.95 1bbc n LYS 57 Ca 0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 1bbc n LYS 57 Cb 0.47 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.73 1bbc n LYS 57 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bbc n ARG 58 N -0.58 2.67 -3.65 1.64 1.74 -1.26 -4.56 116.66 112.66 1bbc n ARG 58 Ca 0.00 -2.72 -0.04 0.00 -0.77 0.00 0.00 57.85 54.32 1bbc n ARG 58 Cb 0.00 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.46 29.29 1bbc n ARG 58 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1bbc s GLY 59 N -0.97 -0.63 0.00 -0.13 0.00 -1.26 -5.03 107.32 99.31 1bbc s GLY 59 Ca 0.50 2.19 0.00 0.00 0.00 0.00 0.00 44.72 47.42 1bbc s GLY 59 CO 0.11 2.72 0.00 0.00 0.00 0.00 0.00 173.10 175.93 1bbc s GLY 67 N -0.93 1.64 0.00 0.00 0.00 -1.26 -4.62 107.32 102.14 1bbc s GLY 67 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1bbc s GLY 67 CO 0.00 0.79 0.00 -1.30 0.00 0.00 0.00 173.10 172.59 1bbc n THR 68 N -4.31 0.00 0.33 0.90 -2.24 -1.26 -4.70 114.28 102.99 1bbc n THR 68 Ca 0.09 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.09 1bbc n THR 68 Cb 0.53 0.00 1.17 0.00 -2.10 0.00 0.00 70.33 69.93 1bbc n THR 68 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bbc h LYS 69 N 0.00 0.00 0.00 -0.78 2.10 -1.96 -2.15 116.57 113.78 1bbc h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bbc h LYS 69 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bbc h LYS 69 CO 0.00 0.00 -0.79 1.97 -2.00 0.00 0.00 179.45 178.63 1bbc n PHE 70 N -3.02 0.00 -2.85 0.07 -1.74 -1.26 -2.52 117.46 106.14 1bbc n PHE 70 Ca -0.03 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.45 1bbc n PHE 70 Cb 0.07 -0.03 -0.04 0.00 1.52 0.00 0.00 39.48 41.00 1bbc n PHE 70 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1bbc s LEU 71 N -2.83 4.40 0.38 5.98 2.96 -0.81 -4.85 118.68 123.91 1bbc s LEU 71 Ca 0.05 1.53 -0.07 0.00 -0.22 0.00 0.00 54.13 55.42 1bbc s LEU 71 Cb 0.11 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 1bbc s LEU 71 CO 0.61 -0.13 0.69 -0.55 -1.32 0.00 0.00 176.35 175.65 1bbc s SER 72 N 0.52 6.42 0.16 3.68 0.15 -1.26 0.20 113.70 123.57 1bbc s SER 72 Ca 0.45 0.90 -0.24 0.00 0.70 0.00 0.00 55.95 57.76 1bbc s SER 72 Cb -0.21 -2.23 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1bbc s SER 72 CO 0.25 -0.37 0.73 -0.72 1.20 0.00 0.00 173.24 174.33 1bbc s TYR 73 N -2.37 -0.35 -0.05 3.44 -0.85 -1.26 -4.73 117.35 111.17 1bbc s TYR 73 Ca 0.47 0.08 0.05 0.00 -0.52 0.00 0.00 57.07 57.15 1bbc s TYR 73 Cb -0.10 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1bbc s TYR 73 CO 0.35 -0.90 -0.20 0.15 -1.52 0.00 0.00 175.55 173.43 1bbc s LYS 74 N -3.62 2.52 0.02 -3.49 1.02 -1.26 -4.86 119.74 110.07 1bbc s LYS 74 Ca 0.06 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1bbc s LYS 74 Cb -0.02 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1bbc s LYS 74 CO -0.05 0.49 0.36 -0.59 -0.92 0.00 0.00 175.35 174.64 1bbc s PHE 75 N -0.41 -0.21 0.01 3.18 -0.71 -1.26 -1.08 117.98 117.50 1bbc s PHE 75 Ca 0.04 0.22 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 1bbc s PHE 75 Cb -0.12 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1bbc s PHE 75 CO 0.02 -0.49 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.12 1bbc s SER 76 N -1.72 2.04 0.19 1.98 0.01 -0.26 -4.91 113.70 111.02 1bbc s SER 76 Ca -0.09 -0.38 0.09 0.00 1.31 0.00 0.00 55.95 56.88 1bbc s SER 76 Cb -0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1bbc s SER 76 CO 0.01 0.16 -0.11 0.54 0.41 0.00 0.00 173.24 174.25 1bbc s ASN 77 N -0.72 4.17 0.00 2.44 2.20 -1.26 -0.21 114.94 121.55 1bbc s ASN 77 Ca 0.06 -0.62 0.00 0.00 -0.94 0.00 0.00 52.86 51.36 1bbc s ASN 77 Cb -0.07 -0.67 0.00 0.00 -2.00 0.00 0.00 41.25 38.51 1bbc s ASN 77 CO 0.00 0.10 0.00 -1.54 -2.94 0.00 0.00 177.10 172.72 1bbc n SER 78 N 0.02 0.00 -1.53 3.54 3.41 0.77 -4.98 113.62 114.84 1bbc n SER 78 Ca -0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 1bbc n SER 78 Cb 0.56 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1bbc n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bbc n GLY 79 N 0.00 2.85 0.03 5.00 0.00 -1.26 -0.81 105.19 111.00 1bbc n GLY 79 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1bbc n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bbc n SER 80 N 1.02 0.00 0.00 1.61 7.64 -1.26 -5.09 113.62 117.54 1bbc n SER 80 Ca 0.08 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.91 1bbc n SER 80 Cb 0.55 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1bbc n SER 80 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1bbc n ARG 81 N 0.00 0.00 -4.48 1.43 0.63 0.01 -4.71 116.66 109.54 1bbc n ARG 81 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1bbc n ARG 81 Cb 0.51 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.29 1bbc n ARG 81 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1bbc s ILE 82 N 0.00 2.22 -0.08 5.15 -1.09 -1.26 -0.16 121.20 125.97 1bbc s ILE 82 Ca 0.00 -1.68 -0.01 0.00 -2.23 0.00 0.00 60.65 56.73 1bbc s ILE 82 Cb 0.00 -1.95 0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1bbc s ILE 82 CO 0.00 0.14 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.93 1bbc s THR 83 N -1.02 0.58 -0.02 2.92 2.01 0.70 -5.00 115.64 115.82 1bbc s THR 83 Ca 0.13 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1bbc s THR 83 Cb -0.10 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1bbc s THR 83 CO 0.05 0.29 1.04 0.00 -0.69 0.00 0.00 174.62 175.32 1bbc n ALA 85 N 4.31 0.00 0.00 0.00 0.00 -0.24 -4.95 120.51 119.63 1bbc n ALA 85 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1bbc n ALA 85 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1bbc n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bbc n LYS 86 N 0.00 0.00 0.00 0.00 4.81 -1.26 -4.93 118.16 116.78 1bbc n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bbc n LYS 86 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1bbc n LYS 86 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bbc n GLN 88 N 0.00 0.00 0.00 1.64 0.00 -1.26 -5.06 117.38 112.70 1bbc n GLN 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1bbc n GLN 88 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 30.24 30.22 1bbc n GLN 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1bbc n ASP 89 N -2.01 0.00 0.16 1.69 -0.08 -1.26 -4.26 116.55 110.78 1bbc n ASP 89 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1bbc n ASP 89 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1bbc n ASP 89 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1bbc h SER 90 N 0.00 -0.87 -0.18 1.67 0.87 -2.00 -0.95 113.55 112.09 1bbc h SER 90 Ca 0.00 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1bbc h SER 90 Cb 0.00 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1bbc h SER 90 CO 0.00 -0.42 0.09 0.00 -0.53 0.00 0.00 176.83 175.97 1bbc h ARG 92 N 0.17 0.00 0.02 0.00 3.08 -1.85 0.25 114.38 116.05 1bbc h ARG 92 Ca 0.06 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1bbc h ARG 92 Cb 0.10 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.17 1bbc h ARG 92 CO -0.01 0.10 -0.76 0.77 -1.07 0.00 0.00 179.97 179.00 1bbc h SER 93 N 0.00 0.63 -0.16 7.04 0.02 -0.97 -2.03 113.55 118.07 1bbc h SER 93 Ca -0.00 -0.78 -0.17 0.00 -0.84 0.00 0.00 61.79 60.00 1bbc h SER 93 Cb 0.58 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1bbc h SER 93 CO 0.01 1.33 -0.56 1.56 -1.14 0.00 0.00 176.83 178.03 1bbc h GLN 94 N 0.00 0.66 -0.20 3.45 4.20 -1.08 -1.96 115.11 120.19 1bbc h GLN 94 Ca -0.10 -0.50 -0.02 0.00 0.06 0.00 0.00 58.65 58.09 1bbc h GLN 94 Cb 1.47 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1bbc h GLN 94 CO 0.15 1.12 0.05 1.25 -0.67 0.00 0.00 178.83 180.73 1bbc h LEU 95 N 0.34 0.30 -1.71 1.46 5.85 -1.03 -0.56 115.31 119.96 1bbc h LEU 95 Ca -0.02 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1bbc h LEU 95 Cb 1.19 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1bbc h LEU 95 CO 0.12 0.44 0.25 0.00 -0.34 0.00 0.00 178.44 178.91 1bbc h GLU 97 N 0.38 0.55 0.66 0.00 4.22 -0.43 -1.71 114.58 118.24 1bbc h GLU 97 Ca 0.15 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1bbc h GLU 97 Cb 0.15 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1bbc h GLU 97 CO -0.04 0.53 -0.32 0.00 -2.18 0.00 0.00 179.01 177.01 1bbc h ASP 99 N -1.02 -0.54 -0.39 0.00 5.19 -1.43 -1.48 116.42 116.75 1bbc h ASP 99 Ca -0.09 0.11 0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1bbc h ASP 99 Cb 0.71 0.28 -0.07 0.00 0.18 0.00 0.00 39.33 40.42 1bbc h ASP 99 CO 0.15 -0.21 -0.08 0.50 -3.12 0.00 0.00 179.24 176.48 1bbc h LYS 100 N -0.16 0.02 -0.12 3.56 3.64 -1.36 0.11 116.57 122.26 1bbc h LYS 100 Ca 0.13 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1bbc h LYS 100 Cb 0.36 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1bbc h LYS 100 CO -0.33 0.01 -0.04 0.00 -2.27 0.00 0.00 179.45 176.81 1bbc h ALA 101 N 1.38 0.06 -0.38 5.00 0.00 -1.23 -1.49 119.26 122.62 1bbc h ALA 101 Ca 0.19 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bbc h ALA 101 Cb 0.29 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bbc h ALA 101 CO -0.39 -0.50 0.21 0.00 0.00 0.00 0.00 179.25 178.57 1bbc h ALA 102 N 1.09 1.67 0.00 0.00 0.00 -0.78 -0.74 119.26 120.49 1bbc h ALA 102 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1bbc h ALA 102 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bbc h ALA 102 CO -0.14 0.28 -0.57 0.00 0.00 0.00 0.00 179.25 178.83 1bbc h ALA 103 N 1.72 0.67 0.01 0.00 0.00 -0.27 -1.63 119.26 119.76 1bbc h ALA 103 Ca 0.14 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.27 1bbc h ALA 103 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1bbc h ALA 103 CO -0.02 0.72 -1.33 1.79 0.00 0.00 0.00 179.25 180.40 1bbc h THR 104 N 0.00 1.32 -0.21 0.00 1.35 -0.92 -2.96 112.91 111.48 1bbc h THR 104 Ca -0.01 -3.09 -0.00 0.00 -0.55 0.00 0.00 66.41 62.77 1bbc h THR 104 Cb 1.37 2.66 -0.01 0.00 -1.73 0.00 0.00 68.15 70.44 1bbc h THR 104 CO 0.07 0.76 0.13 0.00 -0.25 0.00 0.00 175.52 176.24 1bbc h PHE 106 N 0.27 -0.08 0.00 0.00 0.04 -1.38 -1.53 116.94 114.26 1bbc h PHE 106 Ca 0.08 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1bbc h PHE 106 Cb 0.01 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1bbc h PHE 106 CO -0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 178.31 177.59 1bbc h ALA 107 N 1.12 1.97 -0.09 2.45 0.00 -1.28 -2.06 119.26 121.37 1bbc h ALA 107 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1bbc h ALA 107 Cb 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bbc h ALA 107 CO -0.14 0.01 -0.52 0.00 0.00 0.00 0.00 179.25 178.60 1bbc h ARG 108 N 0.00 0.51 -1.30 0.00 3.08 -0.11 -3.30 114.38 113.26 1bbc h ARG 108 Ca -0.00 -0.43 -0.51 0.00 0.07 0.00 0.00 59.98 59.11 1bbc h ARG 108 Cb 0.01 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 29.94 1bbc h ARG 108 CO 0.00 1.06 0.65 0.09 -1.07 0.00 0.00 179.97 180.70 1bbc n ASN 109 N -4.23 7.10 0.12 7.04 3.02 -0.70 -4.38 115.26 123.22 1bbc n ASN 109 Ca -0.08 -3.43 -0.20 0.00 -0.03 0.00 0.00 54.58 50.84 1bbc n ASN 109 Cb 0.61 -1.03 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 1bbc n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1bbc h LYS 110 N 1.81 0.38 -0.02 3.52 1.57 -1.56 -3.11 116.57 119.16 1bbc h LYS 110 Ca 0.45 -0.65 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1bbc h LYS 110 Cb 0.83 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bbc h LYS 110 CO 1.18 1.30 0.03 1.79 -0.57 0.00 0.00 179.45 183.19 1bbc h THR 111 N 0.10 0.28 -0.01 -0.16 1.35 -1.87 -1.41 112.91 111.19 1bbc h THR 111 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1bbc h THR 111 Cb 2.06 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1bbc h THR 111 CO 0.23 0.00 -0.02 0.35 -0.25 0.00 0.00 175.52 175.83 1bbc n THR 112 N -3.49 0.00 -1.68 6.82 -2.24 -1.24 -5.02 114.28 107.44 1bbc n THR 112 Ca -0.03 -0.49 -0.46 0.00 -2.27 0.00 0.00 64.05 60.80 1bbc n THR 112 Cb 0.11 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 1bbc n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bbc n TYR 113 N 0.61 2.34 -4.08 4.78 4.19 -0.53 -4.98 117.16 119.49 1bbc n TYR 113 Ca 0.07 0.17 -0.34 0.00 3.31 0.00 0.00 57.90 61.10 1bbc n TYR 113 Cb 0.30 -2.59 -0.14 0.00 0.49 0.00 0.00 39.34 37.39 1bbc n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1bbc s ASN 114 N 1.68 4.05 0.25 2.98 3.84 -1.26 -4.99 114.94 121.49 1bbc s ASN 114 Ca 0.81 -0.43 0.19 0.00 0.21 0.00 0.00 52.86 53.65 1bbc s ASN 114 Cb -0.65 -1.67 0.94 0.00 -0.55 0.00 0.00 41.25 39.31 1bbc s ASN 114 CO 0.40 0.01 1.58 2.29 -2.79 0.00 0.00 177.10 178.59 1bbc n LYS 115 N 4.56 0.13 0.17 0.43 2.85 -1.26 -1.30 118.16 123.74 1bbc n LYS 115 Ca -0.19 0.54 0.01 0.00 -1.05 0.00 0.00 58.31 57.63 1bbc n LYS 115 Cb 0.51 -1.85 0.29 0.00 -0.65 0.00 0.00 35.03 33.32 1bbc n LYS 115 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1bbc h LYS 116 N 0.00 0.00 -0.01 -1.58 1.63 -1.97 -2.99 116.57 111.65 1bbc h LYS 116 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1bbc h LYS 116 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1bbc h LYS 116 CO 0.00 0.47 -0.54 0.66 -3.45 0.00 0.00 179.45 176.59 1bbc n TYR 117 N -3.91 0.00 -0.23 1.91 4.01 -0.42 -4.59 117.16 113.92 1bbc n TYR 117 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 1bbc n TYR 117 Cb 0.50 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1bbc n TYR 117 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1bbc h GLN 118 N 1.67 -0.17 -3.34 -0.72 4.15 -1.52 -1.77 115.11 113.42 1bbc h GLN 118 Ca 0.00 0.01 -0.66 0.00 0.77 0.00 0.00 58.65 58.77 1bbc h GLN 118 Cb 0.66 0.04 -0.39 0.00 0.21 0.00 0.00 27.48 27.99 1bbc h GLN 118 CO 0.00 -0.11 -0.47 0.71 -1.93 0.00 0.00 178.83 177.03 1bbc s TYR 119 N -5.90 3.44 -0.37 3.99 2.02 -1.26 -1.97 117.35 117.30 1bbc s TYR 119 Ca -0.14 -3.09 -0.12 0.00 -0.37 0.00 0.00 57.07 53.35 1bbc s TYR 119 Cb 0.15 -2.95 0.02 0.00 -0.40 0.00 0.00 41.96 38.78 1bbc s TYR 119 CO 0.68 -0.71 0.22 -0.47 -1.57 0.00 0.00 175.55 173.69 1bbc s TYR 120 N -0.71 3.23 0.34 2.71 5.04 -1.06 -5.01 117.35 121.88 1bbc s TYR 120 Ca 0.21 -0.77 -0.29 0.00 -2.44 0.00 0.00 57.07 53.78 1bbc s TYR 120 Cb -0.16 -2.45 -0.11 0.00 0.35 0.00 0.00 41.96 39.58 1bbc s TYR 120 CO -0.07 -0.58 1.48 -1.12 -1.34 0.00 0.00 175.55 173.92 1bbc s SER 121 N 1.60 6.45 0.37 4.32 0.01 -1.26 -4.80 113.70 120.38 1bbc s SER 121 Ca 0.03 2.94 0.25 0.00 1.31 0.00 0.00 55.95 60.48 1bbc s SER 121 Cb -0.19 -2.65 0.66 0.00 0.21 0.00 0.00 66.02 64.05 1bbc s SER 121 CO 0.07 -0.81 1.72 -1.13 0.41 0.00 0.00 173.24 173.50 1bbc h ASN 122 N 3.66 0.00 -0.31 2.44 -0.73 -1.97 -3.34 115.58 115.33 1bbc h ASN 122 Ca -0.49 0.00 0.09 0.00 1.87 0.00 0.00 56.30 57.77 1bbc h ASN 122 Cb 1.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1bbc h ASN 122 CO 0.69 0.00 0.56 0.29 -0.37 0.00 0.00 177.43 178.59 1bbc n LYS 123 N -2.79 0.01 -2.72 6.67 4.76 -1.26 -2.77 118.16 120.07 1bbc n LYS 123 Ca 0.04 0.48 -0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1bbc n LYS 123 Cb 0.45 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.47 1bbc n LYS 123 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1bbc n HIS 124 N -1.94 -2.34 -3.12 2.13 1.44 -1.25 -5.12 115.22 105.02 1bbc n HIS 124 Ca 0.07 -1.48 -0.34 0.00 -2.01 0.00 0.00 57.72 53.96 1bbc n HIS 124 Cb 0.65 1.43 -0.06 0.00 0.12 0.00 0.00 29.99 32.13 1bbc n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bbc s ARG 126 N -2.62 2.70 0.00 0.00 3.00 -1.26 -4.77 118.95 115.99 1bbc s ARG 126 Ca 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 55.73 55.39 1bbc s ARG 126 Cb -0.13 -2.51 0.00 0.00 0.00 0.00 0.00 34.95 32.32 1bbc s ARG 126 CO 0.19 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.62 1bbc n GLY 127 N 4.63 0.73 3.92 -3.53 0.00 -1.26 -3.96 105.19 105.72 1bbc n GLY 127 Ca -0.19 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 1bbc n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bbc s SER 128 N -4.00 5.64 -0.39 1.61 0.01 -1.26 -4.28 113.70 111.03 1bbc s SER 128 Ca 0.00 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 1bbc s SER 128 Cb 0.00 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 65.11 1bbc s SER 128 CO 0.00 -0.37 1.32 -0.89 0.41 0.00 0.00 173.24 173.71 1bbc s THR 129 N -2.23 4.04 -0.37 1.44 2.01 -1.26 -3.02 115.64 116.25 1bbc s THR 129 Ca 0.42 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 1bbc s THR 129 Cb -0.08 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1bbc s THR 129 CO 0.29 -0.73 2.29 -2.65 -0.69 0.00 0.00 174.62 173.13 1bbc n PRO 130 N 7.81 1.37 -1.39 4.92 -0.02 -1.25 -4.89 135.00 141.55 1bbc n PRO 130 Ca 0.15 0.30 -0.51 0.00 -2.02 0.00 0.00 63.50 61.42 1bbc n PRO 130 Cb 0.48 -2.98 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 1bbc n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bbc n ARG 131 N 8.66 0.00 0.00 -0.52 5.12 -1.26 -5.00 116.66 123.66 1bbc n ARG 131 Ca 0.37 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.44 1bbc n ARG 131 Cb 0.39 -1.20 0.90 0.00 -1.16 0.00 0.00 32.46 31.39 1bbc n ARG 131 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70