#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjv s SER 2 N 0.00 4.18 -1.15 3.17 0.01 -1.26 -4.95 113.70 113.69 1rjv s SER 2 Ca 0.00 -3.48 -0.08 0.00 1.31 0.00 0.00 55.95 53.69 1rjv s SER 2 Cb 0.00 -1.42 -0.07 0.00 0.21 0.00 0.00 66.02 64.74 1rjv s SER 2 CO 0.00 -0.14 2.37 0.23 0.41 0.00 0.00 173.24 176.11 1rjv n MET 3 N 2.44 2.58 0.00 12.44 2.00 -1.26 -1.68 117.12 133.65 1rjv n MET 3 Ca 0.17 -1.76 0.00 0.00 0.00 0.00 0.00 57.70 56.11 1rjv n MET 3 Cb 0.36 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 30.95 1rjv n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rjv n THR 4 N 4.17 0.00 -0.10 2.03 -1.04 -1.26 -4.67 114.28 113.41 1rjv n THR 4 Ca 0.56 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.45 1rjv n THR 4 Cb 0.19 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.56 1rjv n THR 4 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rjv n ASP 5 N -1.82 0.88 0.03 8.00 2.03 -0.83 -1.38 116.55 123.46 1rjv n ASP 5 Ca 0.00 -0.04 -0.13 0.00 0.52 0.00 0.00 54.79 55.15 1rjv n ASP 5 Cb 0.00 0.58 -0.09 0.00 -0.72 0.00 0.00 41.12 40.89 1rjv n ASP 5 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1rjv h LEU 6 N 0.00 -0.10 0.00 -2.67 -0.00 -1.70 -3.42 115.31 107.42 1rjv h LEU 6 Ca -0.52 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 1rjv h LEU 6 Cb 2.06 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.75 1rjv h LEU 6 CO -0.00 0.36 -0.41 0.18 -0.00 0.00 0.00 178.44 178.57 1rjv n LEU 7 N -4.93 1.23 0.00 1.67 4.77 -1.26 -5.04 117.00 113.45 1rjv n LEU 7 Ca -0.09 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rjv n LEU 7 Cb 0.25 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1rjv n LEU 7 CO 0.31 -0.46 0.00 0.59 -1.33 0.00 0.00 177.39 176.51 1rjv n ASN 8 N -3.84 0.00 -0.13 -1.43 4.13 -1.13 -4.96 115.26 107.90 1rjv n ASN 8 Ca -0.06 0.00 0.24 0.00 1.68 0.00 0.00 54.58 56.44 1rjv n ASN 8 Cb 0.21 0.00 0.67 0.00 -1.54 0.00 0.00 39.78 39.12 1rjv n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rjv h ALA 9 N 0.00 2.60 0.30 5.41 0.00 -1.50 -1.08 119.26 124.99 1rjv h ALA 9 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rjv h ALA 9 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rjv h ALA 9 CO 0.00 -0.82 -0.14 0.93 0.00 0.00 0.00 179.25 179.21 1rjv h GLU 10 N 0.09 -0.38 -0.81 0.00 5.08 -1.96 -3.13 114.58 113.47 1rjv h GLU 10 Ca 0.38 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.85 1rjv h GLU 10 Cb 1.36 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 1rjv h GLU 10 CO -0.04 -0.05 0.53 -0.44 -1.00 0.00 0.00 179.01 178.01 1rjv h ASP 11 N -0.78 0.71 -0.98 1.42 5.19 -1.68 -0.12 116.42 120.17 1rjv h ASP 11 Ca -0.04 0.01 0.23 0.00 -0.62 0.00 0.00 57.03 56.61 1rjv h ASP 11 Cb 0.51 -0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.80 1rjv h ASP 11 CO 0.07 0.43 0.63 0.40 -3.12 0.00 0.00 179.24 177.65 1rjv h ILE 12 N 0.79 0.62 -0.89 0.35 5.03 -1.25 -1.54 117.51 120.62 1rjv h ILE 12 Ca 0.37 -0.17 0.01 0.00 -0.12 0.00 0.00 64.86 64.95 1rjv h ILE 12 Cb 0.38 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 34.21 1rjv h ILE 12 CO -0.14 0.09 0.59 0.07 -0.68 0.00 0.00 178.15 178.08 1rjv h LYS 13 N 0.49 1.17 0.04 2.37 2.10 -0.95 -1.27 116.57 120.53 1rjv h LYS 13 Ca 0.55 -0.07 -0.24 0.00 -2.00 0.00 0.00 60.65 58.89 1rjv h LYS 13 Cb 1.24 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1rjv h LYS 13 CO -0.27 0.77 -1.03 0.87 -2.00 0.00 0.00 179.45 177.79 1rjv h LYS 14 N 1.20 0.32 0.28 0.07 1.57 -1.50 -3.01 116.57 115.50 1rjv h LYS 14 Ca 0.33 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1rjv h LYS 14 Cb -0.12 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1rjv h LYS 14 CO -0.08 1.11 -0.26 0.00 -0.57 0.00 0.00 179.45 179.66 1rjv h ALA 15 N 0.73 -0.97 -0.85 3.86 0.00 -0.74 -1.64 119.26 119.65 1rjv h ALA 15 Ca -0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1rjv h ALA 15 Cb 1.70 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.91 1rjv h ALA 15 CO 0.17 -0.98 0.53 0.28 0.00 0.00 0.00 179.25 179.25 1rjv h VAL 16 N -0.53 1.07 0.00 0.00 2.07 -1.40 -1.17 116.25 116.29 1rjv h VAL 16 Ca -0.04 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1rjv h VAL 16 Cb 0.45 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1rjv h VAL 16 CO -0.02 0.18 0.00 1.23 0.02 0.00 0.00 177.57 178.98 1rjv h GLY 17 N 0.99 0.00 0.67 2.17 0.00 -1.41 -0.98 103.07 104.51 1rjv h GLY 17 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 1rjv h GLY 17 CO -0.16 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.82 1rjv h ALA 18 N 2.02 0.02 0.00 3.60 0.00 -0.20 -3.34 119.26 121.36 1rjv h ALA 18 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1rjv h ALA 18 Cb 0.08 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rjv h ALA 18 CO 0.00 0.29 -0.74 0.74 0.00 0.00 0.00 179.25 179.54 1rjv h PHE 19 N -0.28 0.00 -0.11 0.00 -1.00 -1.55 -3.45 116.94 110.56 1rjv h PHE 19 Ca -0.08 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.33 1rjv h PHE 19 Cb 1.32 0.00 0.05 0.00 3.61 0.00 0.00 35.95 40.94 1rjv h PHE 19 CO 0.17 0.11 1.05 0.43 -1.61 0.00 0.00 178.31 178.46 1rjv n SER 20 N -2.86 1.73 0.00 2.17 7.64 -0.40 -4.54 113.62 117.37 1rjv n SER 20 Ca 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1rjv n SER 20 Cb 0.60 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv n ALA 21 N 13.20 0.00 -3.15 -0.43 0.00 -1.26 -4.97 120.51 123.90 1rjv n ALA 21 Ca 0.45 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 1rjv n ALA 21 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 1rjv n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rjv s THR 22 N -1.72 1.18 0.00 0.00 -4.23 -1.26 -4.77 115.64 104.84 1rjv s THR 22 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1rjv s THR 22 Cb 0.00 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1rjv s THR 22 CO 0.00 0.36 0.00 -0.67 -0.54 0.00 0.00 174.62 173.77 1rjv n ASP 23 N 3.44 0.00 -2.45 3.99 2.03 -1.26 -4.82 116.55 117.47 1rjv n ASP 23 Ca -0.20 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.01 1rjv n ASP 23 Cb 0.53 -1.24 -0.07 0.00 -0.72 0.00 0.00 41.12 39.61 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rjv n SER 24 N 0.00 3.28 -4.73 1.67 7.64 -1.26 -4.78 113.62 115.44 1rjv n SER 24 Ca 0.00 -2.10 -0.41 0.00 1.01 0.00 0.00 58.87 57.38 1rjv n SER 24 Cb 0.00 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.32 1rjv n SER 24 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1rjv s PHE 25 N 2.28 3.74 -0.17 1.43 5.36 -1.26 -4.57 117.98 124.79 1rjv s PHE 25 Ca 0.37 1.62 0.18 0.00 -0.96 0.00 0.00 56.93 58.14 1rjv s PHE 25 Cb 0.16 -2.96 0.39 0.00 -0.34 0.00 0.00 43.02 40.27 1rjv s PHE 25 CO -0.01 0.19 1.20 -3.47 -1.46 0.00 0.00 175.22 171.67 1rjv n ASP 26 N 3.05 0.38 -0.31 6.13 -0.08 -1.26 -5.01 116.55 119.46 1rjv n ASP 26 Ca 0.01 -2.05 0.15 0.00 -1.51 0.00 0.00 54.79 51.39 1rjv n ASP 26 Cb 0.50 -0.07 0.39 0.00 2.34 0.00 0.00 41.12 44.29 1rjv n ASP 26 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1rjv h HIS 27 N 1.45 0.87 -0.80 -0.67 2.76 -1.96 0.23 115.15 117.04 1rjv h HIS 27 Ca -0.29 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 57.92 1rjv h HIS 27 Cb 1.46 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 30.11 1rjv h HIS 27 CO 0.19 0.21 0.52 1.57 -1.30 0.00 0.00 177.93 179.12 1rjv h LYS 28 N 0.64 1.00 0.05 5.26 -0.00 -1.89 -1.44 116.57 120.19 1rjv h LYS 28 Ca 0.54 -0.06 -0.23 0.00 -0.00 0.00 0.00 60.65 60.89 1rjv h LYS 28 Cb 1.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 32.23 32.98 1rjv h LYS 28 CO -0.30 0.66 -1.10 -0.22 -0.00 0.00 0.00 179.45 178.49 1rjv h LYS 29 N 1.03 0.10 0.05 0.07 3.64 -1.01 -2.94 116.57 117.51 1rjv h LYS 29 Ca 0.31 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1rjv h LYS 29 Cb -0.05 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1rjv h LYS 29 CO -0.09 1.07 -0.40 0.35 -2.27 0.00 0.00 179.45 178.11 1rjv h PHE 30 N 0.03 -1.12 -0.57 1.91 3.04 -0.80 0.17 116.94 119.60 1rjv h PHE 30 Ca -0.06 0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1rjv h PHE 30 Cb 1.85 0.48 -0.03 0.00 2.56 0.00 0.00 35.95 40.81 1rjv h PHE 30 CO 0.02 -0.49 0.38 0.74 -2.02 0.00 0.00 178.31 176.94 1rjv h PHE 31 N -0.58 0.51 0.25 0.41 -1.00 -1.30 0.67 116.94 115.88 1rjv h PHE 31 Ca 0.04 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1rjv h PHE 31 Cb 0.64 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1rjv h PHE 31 CO -0.38 0.26 -0.12 1.96 -1.61 0.00 0.00 178.31 178.42 1rjv h GLN 32 N 0.50 -0.32 -0.60 1.51 4.20 -1.28 -1.21 115.11 117.91 1rjv h GLN 32 Ca 0.25 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 1rjv h GLN 32 Cb 0.35 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1rjv h GLN 32 CO -0.07 0.04 0.21 0.52 -0.67 0.00 0.00 178.83 178.86 1rjv h MET 33 N -0.82 0.89 0.00 1.46 2.86 -0.28 -1.61 114.93 117.44 1rjv h MET 33 Ca -0.03 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1rjv h MET 33 Cb 0.51 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1rjv h MET 33 CO 0.06 0.75 0.00 1.55 1.06 0.00 0.00 176.91 180.33 1rjv n VAL 34 N -4.30 0.08 -1.01 -2.22 3.14 0.19 -4.55 118.33 109.66 1rjv n VAL 34 Ca 0.05 0.02 -0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1rjv n VAL 34 Cb 0.19 -0.54 -0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1rjv n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rjv n GLY 35 N 1.27 0.31 0.36 7.55 0.00 -0.61 -4.61 105.19 109.46 1rjv n GLY 35 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1rjv n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rjv h LEU 36 N 0.00 -1.11 -1.11 0.99 3.38 -1.49 0.16 115.31 116.13 1rjv h LEU 36 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rjv h LEU 36 Cb 0.46 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rjv h LEU 36 CO 0.01 -0.38 0.45 0.11 0.09 0.00 0.00 178.44 178.72 1rjv h LYS 37 N -0.41 0.00 -0.02 1.13 1.57 -1.92 0.15 116.57 117.08 1rjv h LYS 37 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1rjv h LYS 37 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1rjv h LYS 37 CO -0.39 0.00 -0.04 0.36 -0.57 0.00 0.00 179.45 178.81 1rjv n LYS 38 N -2.40 1.77 -3.79 3.15 2.85 0.57 -4.92 118.16 115.39 1rjv n LYS 38 Ca -0.01 -1.21 -0.21 0.00 -1.05 0.00 0.00 58.31 55.83 1rjv n LYS 38 Cb 0.47 -1.47 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 1rjv n LYS 38 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1rjv s LYS 39 N -2.06 2.70 0.75 -1.58 -0.14 0.54 -5.13 119.74 114.82 1rjv s LYS 39 Ca 0.33 -1.32 -0.11 0.00 -1.36 0.00 0.00 55.97 53.51 1rjv s LYS 39 Cb 0.20 -2.47 0.04 0.00 -1.68 0.00 0.00 37.83 33.93 1rjv s LYS 39 CO 0.35 0.07 1.08 -1.12 -0.76 0.00 0.00 175.35 174.96 1rjv s SER 40 N -4.01 4.83 0.26 2.83 0.01 -1.26 -4.88 113.70 111.47 1rjv s SER 40 Ca 0.42 1.54 -0.03 0.00 1.31 0.00 0.00 55.95 59.19 1rjv s SER 40 Cb -0.06 -2.33 0.44 0.00 0.21 0.00 0.00 66.02 64.28 1rjv s SER 40 CO 0.27 -1.79 1.82 0.00 0.41 0.00 0.00 173.24 173.95 1rjv h ALA 41 N -0.96 1.27 0.00 1.44 0.00 -1.98 -0.40 119.26 118.64 1rjv h ALA 41 Ca -0.45 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1rjv h ALA 41 Cb 1.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rjv h ALA 41 CO 0.57 0.15 -0.07 -0.44 0.00 0.00 0.00 179.25 179.46 1rjv h ASP 42 N 0.86 0.00 0.10 0.00 3.32 -2.00 -2.04 116.42 116.66 1rjv h ASP 42 Ca 0.42 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1rjv h ASP 42 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1rjv h ASP 42 CO -0.25 0.07 -0.05 -0.78 -1.72 0.00 0.00 179.24 176.51 1rjv h ASP 43 N 0.00 -0.11 -1.12 6.45 3.58 -1.46 -3.27 116.42 120.49 1rjv h ASP 43 Ca -0.00 -0.41 0.31 0.00 0.42 0.00 0.00 57.03 57.35 1rjv h ASP 43 Cb 0.41 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 1rjv h ASP 43 CO 0.01 0.39 0.74 0.58 -2.88 0.00 0.00 179.24 178.07 1rjv h VAL 44 N -0.64 0.43 -0.40 2.25 2.07 -0.90 0.40 116.25 119.45 1rjv h VAL 44 Ca -0.01 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1rjv h VAL 44 Cb 0.51 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1rjv h VAL 44 CO 0.02 0.05 -0.04 0.50 0.02 0.00 0.00 177.57 178.12 1rjv h LYS 45 N 0.27 0.06 0.00 1.57 3.64 -1.43 -2.23 116.57 118.45 1rjv h LYS 45 Ca 0.63 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.94 1rjv h LYS 45 Cb 1.84 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1rjv h LYS 45 CO -0.27 0.04 -0.34 0.87 -2.27 0.00 0.00 179.45 177.48 1rjv h LYS 46 N 0.06 0.00 0.81 1.90 6.56 -0.31 -3.18 116.57 122.41 1rjv h LYS 46 Ca 0.19 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.74 1rjv h LYS 46 Cb 0.29 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1rjv h LYS 46 CO -0.36 0.34 -0.39 0.28 -2.06 0.00 0.00 179.45 177.26 1rjv h VAL 47 N 0.00 0.00 -0.94 0.50 2.07 -0.73 0.24 116.25 117.39 1rjv h VAL 47 Ca -0.00 -0.05 0.21 0.00 0.82 0.00 0.00 66.70 67.67 1rjv h VAL 47 Cb 0.85 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1rjv h VAL 47 CO 0.04 0.00 0.50 0.15 0.02 0.00 0.00 177.57 178.29 1rjv h PHE 48 N -1.15 0.86 0.00 1.57 3.57 -1.58 -2.46 116.94 117.75 1rjv h PHE 48 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1rjv h PHE 48 Cb 0.84 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1rjv h PHE 48 CO 0.03 0.08 0.00 1.58 -2.23 0.00 0.00 178.31 177.77 1rjv n HIS 49 N -4.91 0.00 -0.07 0.41 -0.00 -1.12 -1.33 115.22 108.20 1rjv n HIS 49 Ca 0.23 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.20 1rjv n HIS 49 Cb 0.63 -0.28 -0.13 0.00 -0.12 0.00 0.00 29.99 30.09 1rjv n HIS 49 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1rjv n MET 50 N -1.28 0.68 -0.07 1.57 0.00 -0.93 -4.62 117.12 112.47 1rjv n MET 50 Ca 0.04 0.25 -0.13 0.00 -0.00 0.00 0.00 57.70 57.86 1rjv n MET 50 Cb 0.07 -1.62 -0.06 0.00 0.00 0.00 0.00 33.22 31.61 1rjv n MET 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1rjv h LEU 51 N -0.18 0.56 -7.78 -0.89 3.38 -1.33 -3.36 115.31 105.72 1rjv h LEU 51 Ca -0.50 -0.48 -0.55 0.00 0.09 0.00 0.00 57.88 56.44 1rjv h LEU 51 Cb 1.87 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 1rjv h LEU 51 CO -0.06 0.92 1.84 -0.67 0.09 0.00 0.00 178.44 180.57 1rjv n ASP 52 N -4.41 4.14 0.24 -0.43 2.03 -0.44 -4.85 116.55 112.84 1rjv n ASP 52 Ca -0.05 -2.83 0.07 0.00 0.52 0.00 0.00 54.79 52.50 1rjv n ASP 52 Cb 0.42 -1.72 0.59 0.00 -0.72 0.00 0.00 41.12 39.68 1rjv n ASP 52 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1rjv h LYS 53 N 8.28 0.00 0.00 -0.67 1.57 -1.89 0.18 116.57 124.04 1rjv h LYS 53 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1rjv h LYS 53 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1rjv h LYS 53 CO 1.41 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 180.01 1rjv n ASP 54 N -4.27 0.67 -2.44 0.86 5.75 -1.26 -4.94 116.55 110.92 1rjv n ASP 54 Ca -0.03 0.63 -0.13 0.00 -0.01 0.00 0.00 54.79 55.26 1rjv n ASP 54 Cb 0.20 -0.79 -0.01 0.00 -1.03 0.00 0.00 41.12 39.50 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rjv n LYS 55 N -2.20 -2.21 0.01 0.11 5.02 0.64 -4.90 118.16 114.63 1rjv n LYS 55 Ca 0.03 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 57.05 1rjv n LYS 55 Cb 0.28 -5.21 0.51 0.00 -0.02 0.00 0.00 35.03 30.59 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rjv n SER 56 N -1.81 0.09 0.00 4.39 3.41 -1.26 -4.92 113.62 113.52 1rjv n SER 56 Ca -0.15 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1rjv n SER 56 Cb 0.61 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1rjv n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjv n GLY 57 N 1.02 0.88 2.92 5.00 0.00 -1.26 -5.06 105.19 108.69 1rjv n GLY 57 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1rjv n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rjv s PHE 58 N -2.04 -0.90 0.05 1.61 0.08 -1.26 -4.80 117.98 110.72 1rjv s PHE 58 Ca 0.00 0.73 -0.31 0.00 0.12 0.00 0.00 56.93 57.48 1rjv s PHE 58 Cb 0.00 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.38 1rjv s PHE 58 CO 0.00 -0.80 1.31 0.42 -0.10 0.00 0.00 175.22 176.05 1rjv s ILE 59 N 2.56 3.75 0.48 0.64 1.01 -0.77 -4.87 121.20 124.00 1rjv s ILE 59 Ca 0.12 1.22 0.02 0.00 0.00 0.00 0.00 60.65 62.01 1rjv s ILE 59 Cb -0.15 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1rjv s ILE 59 CO -0.20 0.06 0.05 -1.83 0.00 0.00 0.00 174.94 173.02 1rjv s GLU 60 N 1.56 2.12 0.49 2.79 1.03 -1.26 -1.19 118.70 124.23 1rjv s GLU 60 Ca 0.62 -2.34 0.26 0.00 0.03 0.00 0.00 54.97 53.53 1rjv s GLU 60 Cb -0.32 -1.19 1.32 0.00 -0.80 0.00 0.00 34.13 33.15 1rjv s GLU 60 CO 0.28 -0.42 1.88 1.05 -1.33 0.00 0.00 175.26 176.72 1rjv h GLU 61 N 1.48 0.15 0.14 -4.83 4.11 -1.96 -0.62 114.58 113.06 1rjv h GLU 61 Ca -0.41 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.03 1rjv h GLU 61 Cb 1.30 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1rjv h GLU 61 CO 0.67 0.10 -0.43 0.22 0.07 0.00 0.00 179.01 179.65 1rjv h ASP 62 N 0.16 -1.26 0.18 3.06 3.58 -2.01 -2.31 116.42 117.82 1rjv h ASP 62 Ca 0.43 0.14 -0.25 0.00 0.42 0.00 0.00 57.03 57.77 1rjv h ASP 62 Cb 1.45 0.47 0.01 0.00 1.72 0.00 0.00 39.33 42.98 1rjv h ASP 62 CO -0.08 -0.50 -0.99 -0.33 -2.88 0.00 0.00 179.24 174.46 1rjv h GLU 63 N -0.68 0.55 -0.10 0.28 3.07 -1.64 -3.33 114.58 112.73 1rjv h GLU 63 Ca 0.01 -0.59 0.03 0.00 -0.50 0.00 0.00 59.36 58.31 1rjv h GLU 63 Cb 0.69 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1rjv h GLU 63 CO -0.23 1.21 0.10 1.25 -1.40 0.00 0.00 179.01 179.94 1rjv h LEU 64 N 0.31 0.00 -1.24 1.33 6.46 -1.03 0.17 115.31 121.31 1rjv h LEU 64 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1rjv h LEU 64 Cb 1.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1rjv h LEU 64 CO 0.18 0.00 0.00 1.23 -0.62 0.00 0.00 178.44 179.23 1rjv h GLY 65 N 0.00 0.00 -0.97 3.75 0.00 -1.53 -3.37 103.07 100.96 1rjv h GLY 65 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1rjv h GLY 65 CO -0.00 0.00 -0.32 1.97 0.00 0.00 0.00 176.54 178.19 1rjv n PHE 66 N -2.80 0.00 -0.44 5.60 -1.74 0.25 -0.48 117.46 117.85 1rjv n PHE 66 Ca 0.01 0.00 0.38 0.00 -0.56 0.00 0.00 57.45 57.28 1rjv n PHE 66 Cb 0.27 0.05 0.66 0.00 1.52 0.00 0.00 39.48 41.98 1rjv n PHE 66 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1rjv h ILE 67 N 6.21 0.01 -0.51 1.97 -0.00 -0.96 0.11 117.51 124.34 1rjv h ILE 67 Ca 0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 64.86 65.00 1rjv h ILE 67 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 38.06 1rjv h ILE 67 CO 0.00 0.00 0.41 -0.07 -0.00 0.00 0.00 178.15 178.49 1rjv h LEU 68 N 0.01 0.00 0.00 2.19 3.38 -1.87 -1.59 115.31 117.42 1rjv h LEU 68 Ca 0.87 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.84 1rjv h LEU 68 Cb 2.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.44 1rjv h LEU 68 CO -0.54 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.16 1rjv n LYS 69 N -4.16 0.41 -0.08 1.13 0.00 0.36 -1.13 118.16 114.70 1rjv n LYS 69 Ca 0.09 0.06 -0.13 0.00 0.00 0.00 0.00 58.31 58.33 1rjv n LYS 69 Cb 0.62 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 34.06 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1rjv h GLY 70 N 2.78 0.00 0.49 3.14 0.00 -1.49 -3.41 103.07 104.58 1rjv h GLY 70 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1rjv h GLY 70 CO 0.00 0.00 0.39 0.74 0.00 0.00 0.00 176.54 177.67 1rjv h PHE 71 N -1.00 0.69 -1.92 5.60 0.04 -1.23 -3.46 116.94 115.67 1rjv h PHE 71 Ca -0.09 0.03 0.27 0.00 2.80 0.00 0.00 57.97 60.98 1rjv h PHE 71 Cb 0.85 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.71 1rjv h PHE 71 CO 0.13 0.26 0.72 0.45 -0.60 0.00 0.00 178.31 179.28 1rjv s SER 72 N -5.53 -0.07 1.04 2.17 0.15 -0.49 -4.79 113.70 106.19 1rjv s SER 72 Ca -0.13 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.09 1rjv s SER 72 Cb 0.18 0.29 0.21 0.00 -1.71 0.00 0.00 66.02 64.99 1rjv s SER 72 CO 0.77 -0.54 1.11 -2.16 1.20 0.00 0.00 173.24 173.62 1rjv s PRO 73 N -2.53 0.09 -1.60 5.44 0.04 -1.26 -3.98 135.00 131.20 1rjv s PRO 73 Ca 0.17 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1rjv s PRO 73 Cb 0.02 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1rjv s PRO 73 CO -0.01 -2.91 0.00 -3.47 0.04 0.00 0.00 177.00 170.66 1rjv n ASP 74 N -4.26 -4.60 -0.07 6.66 2.03 -1.26 -4.93 116.55 110.12 1rjv n ASP 74 Ca 0.08 0.26 -0.08 0.00 0.52 0.00 0.00 54.79 55.57 1rjv n ASP 74 Cb 0.58 -4.02 -0.01 0.00 -0.72 0.00 0.00 41.12 36.95 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rjv h ALA 75 N 0.69 -0.09 -2.62 -1.67 0.00 -1.85 -3.50 119.26 110.23 1rjv h ALA 75 Ca -0.36 0.09 0.31 0.00 0.00 0.00 0.00 54.91 54.95 1rjv h ALA 75 Cb 1.17 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 1rjv h ALA 75 CO 0.48 -0.65 -0.49 0.54 0.00 0.00 0.00 179.25 179.13 1rjv n ARG 76 N -5.38 -2.38 -2.31 0.00 1.74 -1.26 -4.74 116.66 102.32 1rjv n ARG 76 Ca -0.00 1.62 -0.43 0.00 -0.77 0.00 0.00 57.85 58.27 1rjv n ARG 76 Cb 0.29 -2.89 -0.02 0.00 -1.02 0.00 0.00 32.46 28.82 1rjv n ARG 76 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1rjv s ASP 77 N -6.30 6.41 0.29 0.55 -4.77 -1.26 -4.57 116.67 107.02 1rjv s ASP 77 Ca 0.00 1.09 -0.30 0.00 -3.30 0.00 0.00 52.55 50.05 1rjv s ASP 77 Cb 0.00 -2.54 -0.13 0.00 -1.09 0.00 0.00 42.92 39.17 1rjv s ASP 77 CO 0.00 -1.33 1.38 0.18 0.70 0.00 0.00 175.17 176.11 1rjv n LEU 78 N 8.53 3.50 -4.69 2.11 4.77 0.37 -4.97 117.00 126.62 1rjv n LEU 78 Ca 0.17 1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 56.99 1rjv n LEU 78 Cb 0.47 -1.48 0.14 0.00 -2.33 0.00 0.00 43.42 40.22 1rjv n LEU 78 CO 0.67 -0.39 0.75 -0.55 -1.33 0.00 0.00 177.39 176.54 1rjv s SER 79 N 0.05 3.36 0.48 -1.43 0.15 -1.26 -4.74 113.70 110.30 1rjv s SER 79 Ca 0.62 2.33 0.13 0.00 0.70 0.00 0.00 55.95 59.73 1rjv s SER 79 Cb -0.59 -2.58 1.11 0.00 -1.71 0.00 0.00 66.02 62.25 1rjv s SER 79 CO 0.55 -2.82 2.11 0.00 1.20 0.00 0.00 173.24 174.28 1rjv h ALA 80 N -1.19 1.90 0.22 5.45 0.00 -1.98 -0.39 119.26 123.27 1rjv h ALA 80 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1rjv h ALA 80 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rjv h ALA 80 CO 0.45 0.08 -0.10 0.87 0.00 0.00 0.00 179.25 180.54 1rjv h LYS 81 N 0.22 -0.28 -0.53 0.00 6.56 -1.99 0.18 116.57 120.73 1rjv h LYS 81 Ca 0.07 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.56 1rjv h LYS 81 Cb 0.01 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1rjv h LYS 81 CO -0.01 0.04 -0.14 1.05 -2.06 0.00 0.00 179.45 178.33 1rjv h GLU 82 N -0.63 1.02 0.02 3.15 4.11 -1.82 -1.86 114.58 118.56 1rjv h GLU 82 Ca -0.03 -0.39 0.03 0.00 0.07 0.00 0.00 59.36 59.04 1rjv h GLU 82 Cb 0.45 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1rjv h GLU 82 CO 0.05 1.08 -0.24 1.15 0.07 0.00 0.00 179.01 181.12 1rjv h THR 83 N 0.90 0.45 -0.20 -1.06 2.02 -1.08 0.31 112.91 114.25 1rjv h THR 83 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1rjv h THR 83 Cb 0.71 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1rjv h THR 83 CO 0.05 0.00 -0.32 0.50 0.37 0.00 0.00 175.52 176.13 1rjv h LYS 84 N -0.38 -0.34 -0.47 6.66 3.64 -0.86 -0.90 116.57 123.92 1rjv h LYS 84 Ca 0.06 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1rjv h LYS 84 Cb 0.46 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1rjv h LYS 84 CO -0.20 -0.22 0.11 1.98 -2.27 0.00 0.00 179.45 178.84 1rjv h MET 85 N -0.35 0.75 -0.43 1.90 4.05 -0.95 -2.94 114.93 116.96 1rjv h MET 85 Ca 0.12 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1rjv h MET 85 Cb 0.53 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1rjv h MET 85 CO -0.40 0.74 0.11 1.25 0.23 0.00 0.00 176.91 178.84 1rjv h LEU 86 N 0.63 0.59 0.27 3.39 5.85 -0.23 0.33 115.31 126.14 1rjv h LEU 86 Ca 0.15 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1rjv h LEU 86 Cb 0.33 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1rjv h LEU 86 CO 0.00 0.59 -0.40 0.24 -0.34 0.00 0.00 178.44 178.53 1rjv h MET 87 N 0.63 -0.68 0.01 1.25 2.86 -1.04 0.82 114.93 118.78 1rjv h MET 87 Ca 0.14 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1rjv h MET 87 Cb 0.23 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1rjv h MET 87 CO -0.00 -0.45 -0.01 0.00 1.06 0.00 0.00 176.91 177.51 1rjv h ALA 88 N -0.96 -0.02 0.00 6.32 0.00 -1.28 -1.61 119.26 121.70 1rjv h ALA 88 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rjv h ALA 88 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rjv h ALA 88 CO -0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 179.25 178.54 1rjv n ALA 89 N -2.18 2.53 -0.07 0.00 0.00 0.11 -3.57 120.51 117.34 1rjv n ALA 89 Ca -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1rjv n ALA 89 Cb 0.11 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 1rjv n ALA 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rjv h GLY 90 N 4.70 0.00 -4.83 0.00 0.00 -0.82 -3.39 103.07 98.74 1rjv h GLY 90 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1rjv h GLY 90 CO 0.00 0.00 0.90 1.34 0.00 0.00 0.00 176.54 178.78 1rjv n ASP 91 N -4.66 3.37 0.00 0.19 2.03 -0.61 -4.47 116.55 112.40 1rjv n ASP 91 Ca -0.08 -2.11 0.06 0.00 0.52 0.00 0.00 54.79 53.17 1rjv n ASP 91 Cb 0.31 -0.85 0.26 0.00 -0.72 0.00 0.00 41.12 40.13 1rjv n ASP 91 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rjv n LYS 92 N 3.27 0.07 0.17 -0.67 5.02 -1.25 -1.16 118.16 123.61 1rjv n LYS 92 Ca 0.29 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1rjv n LYS 92 Cb 0.35 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.13 1rjv n LYS 92 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1rjv h ASP 93 N 0.00 0.00 -0.31 4.39 3.58 -1.93 -3.49 116.42 118.67 1rjv h ASP 93 Ca 0.00 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1rjv h ASP 93 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1rjv h ASP 93 CO 0.00 0.00 -0.07 0.61 -2.88 0.00 0.00 179.24 176.90 1rjv n GLY 94 N 1.19 0.45 0.01 -0.78 0.00 -0.31 -4.96 105.19 100.79 1rjv n GLY 94 Ca 0.05 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1rjv n GLY 94 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rjv n ASP 95 N 1.42 0.65 0.00 1.61 5.75 -1.26 -5.00 116.55 119.71 1rjv n ASP 95 Ca -0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1rjv n ASP 95 Cb 0.30 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.38 1rjv n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rjv n GLY 96 N 1.41 0.78 3.16 6.12 0.00 -1.26 -5.08 105.19 110.32 1rjv n GLY 96 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1rjv n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjv s LYS 97 N -0.76 0.80 -0.07 1.61 3.01 -1.26 -4.89 119.74 118.18 1rjv s LYS 97 Ca 0.00 -0.97 -0.30 0.00 -1.01 0.00 0.00 55.97 53.69 1rjv s LYS 97 Cb 0.00 -0.73 -0.04 0.00 -1.01 0.00 0.00 37.83 36.05 1rjv s LYS 97 CO 0.00 0.15 1.33 0.42 0.51 0.00 0.00 175.35 177.76 1rjv s ILE 98 N -1.49 4.02 0.17 2.17 1.01 -0.33 -4.52 121.20 122.23 1rjv s ILE 98 Ca -0.01 1.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 1rjv s ILE 98 Cb -0.09 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1rjv s ILE 98 CO 0.02 -0.05 0.37 -0.83 0.00 0.00 0.00 174.94 174.46 1rjv s GLY 99 N 1.94 2.01 0.09 6.18 0.00 -1.26 -1.84 107.32 114.43 1rjv s GLY 99 Ca 0.60 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 44.31 1rjv s GLY 99 CO 0.22 -0.66 1.46 -0.24 0.00 0.00 0.00 173.10 173.89 1rjv h VAL 100 N 1.78 0.00 0.00 1.40 3.04 -1.94 -2.15 116.25 118.38 1rjv h VAL 100 Ca -0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.18 1rjv h VAL 100 Cb 1.18 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1rjv h VAL 100 CO 0.71 0.00 -0.20 -0.78 -1.01 0.00 0.00 177.57 176.28 1rjv h ASP 101 N -0.57 0.00 0.00 3.17 3.58 -1.97 -1.33 116.42 119.30 1rjv h ASP 101 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1rjv h ASP 101 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1rjv h ASP 101 CO -0.30 0.20 0.00 -0.62 -2.88 0.00 0.00 179.24 175.64 1rjv n GLU 102 N -3.41 0.00 0.32 0.28 1.02 -1.09 -0.94 120.64 116.83 1rjv n GLU 102 Ca -0.00 0.25 0.21 0.00 -0.02 0.00 0.00 57.16 57.60 1rjv n GLU 102 Cb 0.39 -1.20 1.07 0.00 -0.02 0.00 0.00 31.44 31.68 1rjv n GLU 102 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1rjv h PHE 103 N 0.00 0.00 0.00 -0.32 -0.00 -1.28 0.20 116.94 115.55 1rjv h PHE 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1rjv h PHE 103 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1rjv h PHE 103 CO 0.10 0.00 0.00 0.45 -0.00 0.00 0.00 178.31 178.87 1rjv n SER 104 N -3.10 0.00 0.18 -0.68 2.88 -0.51 -4.31 113.62 108.08 1rjv n SER 104 Ca -0.02 0.50 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 1rjv n SER 104 Cb 0.14 -0.07 0.62 0.00 -0.75 0.00 0.00 64.21 64.15 1rjv n SER 104 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1rjv h THR 105 N 0.00 0.00 -1.19 2.46 1.35 0.15 -0.39 112.91 115.30 1rjv h THR 105 Ca 0.00 -0.15 0.41 0.00 -0.55 0.00 0.00 66.41 66.12 1rjv h THR 105 Cb 0.00 0.84 -0.15 0.00 -1.73 0.00 0.00 68.15 67.11 1rjv h THR 105 CO 0.00 0.00 0.72 -0.07 -0.25 0.00 0.00 175.52 175.92 1rjv h LEU 106 N 0.00 0.31 -0.33 3.87 -0.00 -0.84 -0.18 115.31 118.14 1rjv h LEU 106 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1rjv h LEU 106 Cb 0.20 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1rjv h LEU 106 CO 0.00 -0.24 -0.27 1.33 -0.00 0.00 0.00 178.44 179.26 1rjv n VAL 107 N -4.90 0.00 -0.08 1.22 0.24 -0.15 -0.34 118.33 114.31 1rjv n VAL 107 Ca 0.37 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.49 1rjv n VAL 107 Cb 1.32 0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 33.82 1rjv n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjv n ALA 108 N -0.90 1.59 0.03 2.33 0.00 -0.50 -3.29 120.51 119.77 1rjv n ALA 108 Ca 0.11 -1.04 0.07 0.00 0.00 0.00 0.00 53.44 52.58 1rjv n ALA 108 Cb 0.33 -0.07 0.49 0.00 0.00 0.00 0.00 19.45 20.20 1rjv n ALA 108 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rjv h GLU 109 N 0.00 0.39 0.00 0.00 5.08 -1.13 -3.52 114.58 115.40 1rjv h GLU 109 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1rjv h GLU 109 Cb 1.95 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1rjv h GLU 109 CO 0.01 0.26 0.00 -1.13 -1.00 0.00 0.00 179.01 177.15