#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b50 n LEU 2 N 0.00 -0.27 0.00 -3.43 7.94 -1.26 -5.02 117.00 114.96 1b50 n LEU 2 Ca 0.00 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1b50 n LEU 2 Cb 0.00 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1b50 n LEU 2 CO 0.00 -0.78 0.00 0.00 -1.11 0.00 0.00 177.39 175.50 1b50 n ALA 3 N -2.72 0.00 -1.95 1.96 0.00 -1.26 -5.13 120.51 111.42 1b50 n ALA 3 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1b50 n ALA 3 Cb 0.20 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.72 1b50 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 s ALA 4 N -2.00 3.35 0.00 0.00 0.00 -1.26 -5.02 121.76 116.83 1b50 s ALA 4 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1b50 s ALA 4 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1b50 s ALA 4 CO 0.00 -1.24 0.00 -3.47 0.00 0.00 0.00 175.76 171.05 1b50 n ASP 5 N -2.82 2.04 -0.05 0.00 -0.08 -1.26 -4.79 116.55 109.59 1b50 n ASP 5 Ca 0.09 -0.17 -0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1b50 n ASP 5 Cb 0.60 0.75 -0.16 0.00 2.34 0.00 0.00 41.12 44.66 1b50 n ASP 5 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1b50 n THR 6 N -0.96 0.78 -0.26 5.18 5.66 -1.26 -4.99 114.28 118.43 1b50 n THR 6 Ca 0.00 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1b50 n THR 6 Cb 0.00 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 1b50 n THR 6 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1b50 n PRO 7 N -2.54 0.65 -4.30 1.09 -0.04 -1.26 -5.10 135.00 123.50 1b50 n PRO 7 Ca -0.19 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.05 1b50 n PRO 7 Cb 0.89 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.23 1b50 n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b50 s THR 8 N -0.29 1.67 -0.17 0.52 2.01 -1.26 -5.10 115.64 113.02 1b50 s THR 8 Ca 0.00 -1.74 -0.07 0.00 0.31 0.00 0.00 61.69 60.20 1b50 s THR 8 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1b50 s THR 8 CO 0.00 -0.25 0.05 0.00 -0.69 0.00 0.00 174.62 173.73 1b50 s ALA 9 N -1.75 3.35 0.36 7.40 0.00 -1.26 -5.10 121.76 124.76 1b50 s ALA 9 Ca 0.11 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1b50 s ALA 9 Cb -0.07 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1b50 s ALA 9 CO 0.05 0.20 0.09 0.00 0.00 0.00 0.00 175.76 176.10 1b50 n PHE 12 N 2.66 0.00 -4.17 0.00 3.01 -1.26 -4.01 117.46 113.69 1b50 n PHE 12 Ca 0.19 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.48 1b50 n PHE 12 Cb 0.38 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.69 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1b50 s SER 13 N -2.07 0.73 0.25 4.37 0.01 -1.26 -5.12 113.70 110.63 1b50 s SER 13 Ca 0.32 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1b50 s SER 13 Cb 0.20 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1b50 s SER 13 CO 0.35 0.02 0.05 -0.31 0.41 0.00 0.00 173.24 173.76 1b50 s TYR 14 N 0.25 1.59 0.01 2.43 2.02 -1.26 -4.32 117.35 118.07 1b50 s TYR 14 Ca -0.03 -1.05 -0.01 0.00 -0.37 0.00 0.00 57.07 55.61 1b50 s TYR 14 Cb -0.07 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1b50 s TYR 14 CO -0.00 -0.17 0.15 -0.08 -1.57 0.00 0.00 175.55 173.88 1b50 s THR 15 N -3.56 5.19 0.13 -0.71 -1.32 -1.26 -4.96 115.64 109.15 1b50 s THR 15 Ca 0.33 -0.29 -0.11 0.00 -1.21 0.00 0.00 61.69 60.41 1b50 s THR 15 Cb 0.07 -3.43 -0.08 0.00 -1.51 0.00 0.00 72.50 67.56 1b50 s THR 15 CO 0.12 0.30 1.43 0.77 -2.21 0.00 0.00 174.62 175.02 1b50 h SER 16 N 3.77 0.98 -3.59 8.08 4.64 -2.01 -3.39 113.55 122.02 1b50 h SER 16 Ca -0.48 -0.51 -0.64 0.00 -0.47 0.00 0.00 61.79 59.69 1b50 h SER 16 Cb 1.18 -0.28 -0.14 0.00 -0.31 0.00 0.00 62.40 62.85 1b50 h SER 16 CO 0.68 1.30 0.14 -0.60 -0.87 0.00 0.00 176.83 177.49 1b50 s ARG 17 N -4.19 3.44 0.00 4.77 3.52 -1.26 -5.04 118.95 120.18 1b50 s ARG 17 Ca -0.11 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1b50 s ARG 17 Cb 0.10 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1b50 s ARG 17 CO 0.89 -0.91 0.00 1.04 -0.81 0.00 0.00 175.30 175.50 1b50 n GLN 18 N 6.21 0.75 -3.48 5.12 1.13 -1.26 -5.02 117.38 120.83 1b50 n GLN 18 Ca -0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.85 1b50 n GLN 18 Cb 0.48 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.71 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1b50 s ILE 19 N -0.16 -0.31 0.43 5.09 -4.36 -1.26 -5.10 121.20 115.53 1b50 s ILE 19 Ca 0.00 -0.30 -0.25 0.00 -0.26 0.00 0.00 60.65 59.84 1b50 s ILE 19 Cb 0.00 -0.79 -0.08 0.00 1.25 0.00 0.00 42.46 42.83 1b50 s ILE 19 CO 0.00 -0.34 1.29 -2.16 0.24 0.00 0.00 174.94 173.97 1b50 s PRO 20 N 2.30 3.86 0.39 0.37 0.04 -1.26 -4.77 135.00 135.93 1b50 s PRO 20 Ca 0.08 2.12 0.34 0.00 0.04 0.00 0.00 61.00 63.58 1b50 s PRO 20 Cb -0.15 -2.67 1.22 0.00 0.04 0.00 0.00 34.50 32.94 1b50 s PRO 20 CO -0.21 -0.57 1.11 1.04 0.04 0.00 0.00 177.00 178.42 1b50 n GLN 21 N -0.06 -0.00 -0.65 4.56 6.02 -1.26 0.16 117.38 126.15 1b50 n GLN 21 Ca 0.05 0.79 -0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1b50 n GLN 21 Cb 0.44 -1.78 0.04 0.00 1.02 0.00 0.00 30.24 29.96 1b50 n GLN 21 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1b50 n ASN 22 N -3.47 5.16 -0.71 1.08 0.23 -1.26 -3.54 115.26 112.76 1b50 n ASN 22 Ca 0.31 -2.75 -0.04 0.00 -0.53 0.00 0.00 54.58 51.58 1b50 n ASN 22 Cb 1.40 -0.92 -0.04 0.00 -2.08 0.00 0.00 39.78 38.14 1b50 n ASN 22 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1b50 n PHE 23 N 0.46 0.00 -4.27 -2.53 -0.00 0.42 -5.10 117.46 106.45 1b50 n PHE 23 Ca 0.20 -0.25 -0.18 0.00 -0.00 0.00 0.00 57.45 57.22 1b50 n PHE 23 Cb 0.66 0.37 -0.09 0.00 -0.00 0.00 0.00 39.48 40.42 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1b50 s ILE 24 N 0.00 0.01 0.15 -2.13 1.01 -1.23 -4.06 121.20 114.95 1b50 s ILE 24 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1b50 s ILE 24 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1b50 s ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.94 1b50 n ALA 25 N -0.55 2.14 -2.22 9.38 0.00 -1.11 -4.71 120.51 123.45 1b50 n ALA 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1b50 n ALA 25 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1b50 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n ALA 26 N -2.91 0.00 0.00 0.00 0.00 -1.24 0.10 120.51 116.45 1b50 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b50 n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1b50 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1b50 n TYR 27 N 0.00 -0.66 -1.41 0.00 0.18 -1.26 -4.24 117.16 109.77 1b50 n TYR 27 Ca 0.00 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.93 1b50 n TYR 27 Cb 0.00 0.14 -0.08 0.00 -0.38 0.00 0.00 39.34 39.02 1b50 n TYR 27 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1b50 n PHE 28 N -2.26 -3.80 -2.90 -3.48 3.01 -1.26 -1.29 117.46 105.47 1b50 n PHE 28 Ca 0.00 2.10 -0.15 0.00 1.01 0.00 0.00 57.45 60.41 1b50 n PHE 28 Cb 0.00 -3.42 -0.00 0.00 -0.01 0.00 0.00 39.48 36.04 1b50 n PHE 28 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1b50 n GLU 29 N -4.02 1.33 0.00 -1.08 0.28 -1.26 -3.18 120.64 112.71 1b50 n GLU 29 Ca -0.08 -3.48 0.00 0.00 -0.16 0.00 0.00 57.16 53.44 1b50 n GLU 29 Cb 0.64 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1b50 n GLU 29 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1b50 n THR 30 N 0.05 0.00 -2.03 3.84 -2.24 -1.26 -4.84 114.28 107.80 1b50 n THR 30 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1b50 n THR 30 Cb 0.71 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1b50 n THR 30 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b50 n SER 31 N 2.58 0.00 0.00 3.42 2.88 -1.26 -4.90 113.62 116.34 1b50 n SER 31 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1b50 n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1b50 n SER 31 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1b50 n SER 32 N 0.07 0.00 -4.43 -3.46 7.64 -1.26 -4.44 113.62 107.74 1b50 n SER 32 Ca 0.00 0.40 -0.48 0.00 1.01 0.00 0.00 58.87 59.80 1b50 n SER 32 Cb 0.00 -0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 1b50 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b50 n GLN 33 N -0.98 0.54 0.00 1.43 6.02 -1.26 -2.87 117.38 120.26 1b50 n GLN 33 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1b50 n GLN 33 Cb 0.00 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1b50 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b50 n SER 35 N 0.00 0.32 -4.68 0.00 7.64 -1.14 -4.57 113.62 111.20 1b50 n SER 35 Ca 0.00 -1.23 -0.40 0.00 1.01 0.00 0.00 58.87 58.25 1b50 n SER 35 Cb 0.00 -1.19 0.02 0.00 -1.01 0.00 0.00 64.21 62.04 1b50 n SER 35 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1b50 n LYS 36 N 7.27 1.62 -0.03 1.43 0.00 -1.26 -4.86 118.16 122.32 1b50 n LYS 36 Ca 0.51 0.58 0.08 0.00 -0.00 0.00 0.00 58.31 59.48 1b50 n LYS 36 Cb 0.33 -2.32 0.38 0.00 -0.00 0.00 0.00 35.03 33.43 1b50 n LYS 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1b50 n PRO 37 N -0.27 1.24 0.00 -1.58 -0.04 -1.26 -4.94 135.00 128.15 1b50 n PRO 37 Ca 0.09 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1b50 n PRO 37 Cb 0.41 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1b50 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b50 n GLY 38 N 0.85 1.07 3.35 0.55 0.00 -1.26 -1.39 105.19 108.35 1b50 n GLY 38 Ca 0.12 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1b50 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b50 s VAL 39 N -1.03 1.89 0.55 1.61 1.01 -0.61 -4.66 120.40 119.16 1b50 s VAL 39 Ca 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 61.98 59.98 1b50 s VAL 39 Cb 0.00 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.59 1b50 s VAL 39 CO 0.00 -0.31 0.75 -0.38 0.00 0.00 0.00 175.10 175.15 1b50 n ILE 40 N 0.22 0.00 -3.54 2.22 5.41 -0.42 0.94 119.36 124.18 1b50 n ILE 40 Ca -0.12 -0.96 -0.15 0.00 1.00 0.00 0.00 62.75 62.52 1b50 n ILE 40 Cb 0.57 -1.22 -0.06 0.00 -0.71 0.00 0.00 39.64 38.23 1b50 n ILE 40 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1b50 s PHE 41 N -2.30 -0.53 -0.80 1.39 0.08 -1.19 -4.14 117.98 110.49 1b50 s PHE 41 Ca 0.47 0.89 0.02 0.00 0.12 0.00 0.00 56.93 58.43 1b50 s PHE 41 Cb -0.02 0.43 0.22 0.00 -0.57 0.00 0.00 43.02 43.08 1b50 s PHE 41 CO 0.32 -0.49 0.77 1.28 -0.10 0.00 0.00 175.22 177.00 1b50 n LEU 42 N 0.81 4.01 0.00 -0.37 4.77 -1.26 -2.01 117.00 122.95 1b50 n LEU 42 Ca -0.15 -5.25 -0.10 0.00 -0.03 0.00 0.00 56.01 50.48 1b50 n LEU 42 Cb 0.57 -0.91 0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1b50 n LEU 42 CO 0.20 1.76 0.11 0.35 -1.33 0.00 0.00 177.39 178.49 1b50 n THR 43 N 1.72 0.00 0.12 -5.08 -2.24 -1.26 -2.74 114.28 104.79 1b50 n THR 43 Ca 0.24 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1b50 n THR 43 Cb 0.37 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1b50 n THR 43 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b50 h LYS 44 N 0.00 0.00 -0.01 -0.78 1.79 -1.84 -3.26 116.57 112.47 1b50 h LYS 44 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1b50 h LYS 44 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1b50 h LYS 44 CO 0.08 0.03 0.00 -2.13 -1.08 0.00 0.00 179.45 176.34 1b50 n ARG 45 N -2.76 1.03 -2.63 3.15 0.00 -1.26 -4.84 116.66 109.35 1b50 n ARG 45 Ca -0.00 -0.05 -0.20 0.00 -0.00 0.00 0.00 57.85 57.60 1b50 n ARG 45 Cb 0.57 -1.22 0.01 0.00 0.00 0.00 0.00 32.46 31.81 1b50 n ARG 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1b50 n SER 46 N -0.67 -5.74 -0.01 6.15 7.64 -1.23 -4.86 113.62 114.90 1b50 n SER 46 Ca 0.11 -0.12 0.09 0.00 1.01 0.00 0.00 58.87 59.95 1b50 n SER 46 Cb 0.06 -4.69 -0.13 0.00 -1.01 0.00 0.00 64.21 58.44 1b50 n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1b50 n ARG 47 N -3.29 0.66 -1.54 1.43 5.12 -1.26 -5.01 116.66 112.76 1b50 n ARG 47 Ca -0.18 -0.14 0.04 0.00 -1.93 0.00 0.00 57.85 55.64 1b50 n ARG 47 Cb 0.65 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.51 1b50 n ARG 47 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1b50 n GLN 48 N -2.00 -3.80 0.00 5.56 0.00 -1.26 -4.95 117.38 110.92 1b50 n GLN 48 Ca -0.02 2.99 0.00 0.00 -0.00 0.00 0.00 57.00 59.97 1b50 n GLN 48 Cb 0.44 -3.88 0.00 0.00 0.00 0.00 0.00 30.24 26.80 1b50 n GLN 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1b50 n VAL 49 N -3.02 0.00 -2.89 1.69 0.31 -0.85 -4.85 118.33 108.72 1b50 n VAL 49 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1b50 n VAL 49 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1b50 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b50 s ALA 51 N -1.25 -1.65 1.03 0.00 0.00 0.27 -4.47 121.76 115.68 1b50 s ALA 51 Ca 0.00 1.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.69 1b50 s ALA 51 Cb 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 23.12 21.85 1b50 s ALA 51 CO 0.00 -0.32 -1.06 -0.25 0.00 0.00 0.00 175.76 174.13 1b50 n ASP 52 N 3.22 -3.10 0.08 0.00 8.00 -1.26 -1.57 116.55 121.92 1b50 n ASP 52 Ca -0.16 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.23 1b50 n ASP 52 Cb 0.56 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1b50 n ASP 52 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1b50 h PRO 53 N -1.28 0.25 -1.67 -0.24 0.13 -1.59 -3.32 132.00 124.28 1b50 h PRO 53 Ca -0.43 -0.29 -0.61 0.00 -0.87 0.00 0.00 66.00 63.80 1b50 h PRO 53 Cb 1.38 0.09 -0.40 0.00 0.13 0.00 0.00 31.00 32.19 1b50 h PRO 53 CO 0.26 1.01 -0.52 0.43 -0.23 0.00 0.00 178.00 178.95 1b50 n SER 54 N -3.67 4.99 -4.75 1.44 7.64 -1.26 -4.92 113.62 113.10 1b50 n SER 54 Ca -0.05 -3.73 -0.40 0.00 1.01 0.00 0.00 58.87 55.71 1b50 n SER 54 Cb 0.83 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 1b50 n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1b50 s GLU 55 N -3.60 4.66 -0.07 1.43 8.01 -1.25 -4.95 118.70 122.94 1b50 s GLU 55 Ca 0.48 1.30 -0.20 0.00 0.01 0.00 0.00 54.97 56.57 1b50 s GLU 55 Cb 0.39 -3.31 -0.30 0.00 -4.31 0.00 0.00 34.13 26.60 1b50 s GLU 55 CO -0.20 0.41 0.76 1.49 0.01 0.00 0.00 175.26 177.73 1b50 h GLU 56 N 4.84 0.27 0.00 1.61 4.22 -1.96 -2.94 114.58 120.62 1b50 h GLU 56 Ca -0.45 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 58.52 1b50 h GLU 56 Cb 1.21 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1b50 h GLU 56 CO 0.69 1.22 0.00 -2.67 -2.18 0.00 0.00 179.01 176.07 1b50 n TRP 57 N -4.06 0.57 -0.10 0.92 4.27 -1.26 -2.91 117.44 114.87 1b50 n TRP 57 Ca -0.18 0.26 -0.19 0.00 -3.89 0.00 0.00 57.50 53.50 1b50 n TRP 57 Cb 0.85 -0.92 -0.09 0.00 -1.36 0.00 0.00 31.31 29.80 1b50 n TRP 57 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1b50 n VAL 58 N -2.05 1.51 -0.27 -1.67 0.31 -1.23 -3.64 118.33 111.29 1b50 n VAL 58 Ca 0.01 -0.02 0.26 0.00 -0.01 0.00 0.00 64.34 64.58 1b50 n VAL 58 Cb 0.12 -2.11 0.48 0.00 -0.91 0.00 0.00 33.84 31.42 1b50 n VAL 58 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b50 n GLN 59 N -4.45 -0.05 0.10 5.55 -0.06 -1.11 0.24 117.38 117.59 1b50 n GLN 59 Ca -0.29 1.14 -0.13 0.00 -2.00 0.00 0.00 57.00 55.72 1b50 n GLN 59 Cb 0.61 -2.05 -0.08 0.00 -4.06 0.00 0.00 30.24 24.66 1b50 n GLN 59 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1b50 h LYS 60 N 0.00 -0.25 0.24 3.69 1.63 -1.71 1.12 116.57 121.29 1b50 h LYS 60 Ca 0.70 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.51 1b50 h LYS 60 Cb 1.84 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.53 1b50 h LYS 60 CO -0.64 0.10 -0.19 1.88 -3.45 0.00 0.00 179.45 177.15 1b50 h TYR 61 N -0.63 -0.51 0.00 1.91 0.05 0.29 -0.46 116.97 117.62 1b50 h TYR 61 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1b50 h TYR 61 Cb 0.46 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1b50 h TYR 61 CO 0.04 -0.26 0.00 0.28 -1.05 0.00 0.00 178.16 177.17 1b50 n VAL 62 N -3.45 1.33 -0.61 -2.88 0.31 0.31 -3.03 118.33 110.31 1b50 n VAL 62 Ca -0.05 0.33 0.47 0.00 -0.01 0.00 0.00 64.34 65.09 1b50 n VAL 62 Cb 0.18 -1.25 0.74 0.00 -0.91 0.00 0.00 33.84 32.60 1b50 n VAL 62 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1b50 n SER 63 N -1.40 0.06 0.00 4.52 2.88 0.38 -3.73 113.62 116.34 1b50 n SER 63 Ca 0.02 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1b50 n SER 63 Cb 0.05 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1b50 n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1b50 n ASP 64 N -4.08 0.00 0.00 -3.46 8.00 -1.17 -5.05 116.55 110.79 1b50 n ASP 64 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1b50 n ASP 64 Cb 1.80 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 1b50 n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1b50 n LEU 65 N -0.13 0.00 -4.92 0.64 4.77 -1.24 -5.14 117.00 110.97 1b50 n LEU 65 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1b50 n LEU 65 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1b50 n LEU 65 CO 0.00 0.00 -0.12 -1.61 -1.33 0.00 0.00 177.39 174.33 1b50 s GLU 66 N 2.22 3.37 0.18 3.23 2.02 -1.26 -4.03 118.70 124.43 1b50 s GLU 66 Ca 0.00 -0.61 -0.33 0.00 0.02 0.00 0.00 54.97 54.05 1b50 s GLU 66 Cb 0.00 -2.93 -0.13 0.00 0.10 0.00 0.00 34.13 31.16 1b50 s GLU 66 CO 0.00 0.53 1.63 -0.11 0.02 0.00 0.00 175.26 177.33 1b50 n LEU 67 N -0.39 3.43 -3.03 1.80 7.94 0.11 -3.27 117.00 123.59 1b50 n LEU 67 Ca -0.07 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.82 1b50 n LEU 67 Cb 0.54 -1.48 0.01 0.00 0.53 0.00 0.00 43.42 43.01 1b50 n LEU 67 CO 0.48 -0.12 0.10 -1.20 -1.11 0.00 0.00 177.39 175.54 1b50 n SER 68 N 3.58 -7.52 0.00 1.96 7.64 -1.26 -4.75 113.62 113.26 1b50 n SER 68 Ca 0.16 0.19 0.07 0.00 1.01 0.00 0.00 58.87 60.30 1b50 n SER 68 Cb 0.31 -4.83 0.39 0.00 -1.01 0.00 0.00 64.21 59.07 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03