#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjv n SER 2 N 0.00 -1.32 0.28 7.83 2.88 -1.26 -4.84 113.62 117.19 1rjv n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1rjv n SER 2 Cb 0.00 -0.66 0.84 0.00 -0.75 0.00 0.00 64.21 63.64 1rjv n SER 2 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1rjv h MET 3 N 0.00 0.00 -0.45 -1.46 -1.53 -1.92 -1.33 114.93 108.23 1rjv h MET 3 Ca 0.00 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.34 1rjv h MET 3 Cb 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 30.98 1rjv h MET 3 CO 0.00 0.02 0.04 1.15 0.14 0.00 0.00 176.91 178.26 1rjv h THR 4 N 0.00 0.70 0.03 -0.77 2.02 -1.90 0.14 112.91 113.13 1rjv h THR 4 Ca -0.00 -0.06 -0.24 0.00 0.77 0.00 0.00 66.41 66.88 1rjv h THR 4 Cb 0.05 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1rjv h THR 4 CO 0.00 0.03 -1.02 -0.78 0.37 0.00 0.00 175.52 174.12 1rjv h ASP 5 N 0.16 0.58 0.19 4.18 3.58 -1.58 -2.51 116.42 121.03 1rjv h ASP 5 Ca 0.22 -0.49 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 1rjv h ASP 5 Cb 0.31 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1rjv h ASP 5 CO -0.33 1.31 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.17 1rjv h LEU 6 N 0.23 -0.22 0.00 2.28 3.38 -1.45 -3.43 115.31 116.11 1rjv h LEU 6 Ca -0.10 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1rjv h LEU 6 Cb 1.67 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1rjv h LEU 6 CO 0.18 0.32 -0.15 -0.07 0.09 0.00 0.00 178.44 178.81 1rjv h LEU 7 N -0.89 0.00 0.00 1.67 3.38 -0.85 -3.50 115.31 115.12 1rjv h LEU 7 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rjv h LEU 7 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1rjv h LEU 7 CO 0.04 0.29 0.00 0.59 0.09 0.00 0.00 178.44 179.45 1rjv n ASN 8 N -3.23 0.00 -0.29 -0.43 3.02 -0.95 -4.96 115.26 108.42 1rjv n ASN 8 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1rjv n ASN 8 Cb 0.08 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.51 1rjv n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjv h ALA 9 N 0.00 1.28 -0.64 5.41 0.00 -1.85 -0.20 119.26 123.25 1rjv h ALA 9 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1rjv h ALA 9 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1rjv h ALA 9 CO 0.00 -0.31 0.22 0.93 0.00 0.00 0.00 179.25 180.09 1rjv h GLU 10 N 0.38 0.99 -0.28 0.00 3.07 -1.96 0.19 114.58 116.97 1rjv h GLU 10 Ca 0.51 -0.20 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 1rjv h GLU 10 Cb 0.92 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1rjv h GLU 10 CO -0.51 0.85 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.21 1rjv h ASP 11 N 0.92 0.75 -0.83 1.42 3.32 -1.76 -3.13 116.42 117.12 1rjv h ASP 11 Ca 0.21 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 56.85 1rjv h ASP 11 Cb 0.26 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1rjv h ASP 11 CO -0.01 1.08 0.49 0.40 -1.72 0.00 0.00 179.24 179.49 1rjv h ILE 12 N 0.44 0.98 -0.79 0.35 5.03 -0.66 -0.17 117.51 122.69 1rjv h ILE 12 Ca 0.04 -0.30 0.13 0.00 -0.12 0.00 0.00 64.86 64.61 1rjv h ILE 12 Cb 0.88 0.03 -0.09 0.00 -3.03 0.00 0.00 36.82 34.61 1rjv h ILE 12 CO 0.07 0.16 0.38 0.50 -0.68 0.00 0.00 178.15 178.59 1rjv h LYS 13 N 0.88 0.55 0.07 2.37 1.63 -0.58 0.14 116.57 121.63 1rjv h LYS 13 Ca 0.38 -0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.89 1rjv h LYS 13 Cb 0.25 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1rjv h LYS 13 CO -0.20 0.37 -1.11 0.87 -3.45 0.00 0.00 179.45 175.93 1rjv h LYS 14 N 0.57 0.36 0.43 1.90 1.57 -1.44 -3.23 116.57 116.72 1rjv h LYS 14 Ca 0.43 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1rjv h LYS 14 Cb 0.58 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1rjv h LYS 14 CO -0.35 1.18 -0.32 0.00 -0.57 0.00 0.00 179.45 179.39 1rjv h ALA 15 N 0.63 -0.75 -0.76 3.86 0.00 -0.16 -2.62 119.26 119.47 1rjv h ALA 15 Ca -0.12 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1rjv h ALA 15 Cb 1.79 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.95 1rjv h ALA 15 CO 0.19 -0.94 0.50 0.28 0.00 0.00 0.00 179.25 179.28 1rjv h VAL 16 N -0.74 0.86 0.00 0.00 2.07 -0.89 0.18 116.25 117.73 1rjv h VAL 16 Ca -0.04 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1rjv h VAL 16 Cb 0.63 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1rjv h VAL 16 CO 0.00 0.10 -0.07 1.23 0.02 0.00 0.00 177.57 178.85 1rjv h GLY 17 N 0.53 0.00 1.85 2.17 0.00 -1.50 -2.08 103.07 104.04 1rjv h GLY 17 Ca 0.36 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.49 1rjv h GLY 17 CO -0.13 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.45 1rjv h ALA 18 N 1.93 0.43 -0.01 3.60 0.00 -0.29 -3.21 119.26 121.71 1rjv h ALA 18 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1rjv h ALA 18 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rjv h ALA 18 CO 0.01 1.03 -0.22 1.19 0.00 0.00 0.00 179.25 181.26 1rjv n PHE 19 N -3.54 0.00 -0.48 0.00 3.72 -1.10 -4.00 117.46 112.06 1rjv n PHE 19 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 1rjv n PHE 19 Cb 0.87 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 39.27 1rjv n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rjv n SER 20 N -0.28 2.66 -1.43 4.37 2.88 -0.80 -4.74 113.62 116.27 1rjv n SER 20 Ca 0.13 -2.00 -0.03 0.00 -1.33 0.00 0.00 58.87 55.64 1rjv n SER 20 Cb 0.38 -0.70 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjv n ALA 21 N 3.05 -0.04 -1.23 -1.46 0.00 -1.26 -5.04 120.51 114.52 1rjv n ALA 21 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1rjv n ALA 21 Cb 0.36 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1rjv n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjv n THR 22 N -0.12 0.00 -0.01 0.00 -2.24 -1.26 -4.78 114.28 105.86 1rjv n THR 22 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rjv n THR 22 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1rjv n THR 22 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rjv n ASP 23 N 0.00 0.00 -2.62 3.42 5.75 -1.26 -4.09 116.55 117.75 1rjv n ASP 23 Ca 0.00 -1.18 -0.12 0.00 -0.01 0.00 0.00 54.79 53.47 1rjv n ASP 23 Cb 0.00 -0.04 0.03 0.00 -1.03 0.00 0.00 41.12 40.08 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1rjv n SER 24 N 2.80 2.31 -4.58 -1.12 7.64 -1.26 -4.97 113.62 114.45 1rjv n SER 24 Ca 0.00 -2.89 -0.22 0.00 1.01 0.00 0.00 58.87 56.77 1rjv n SER 24 Cb 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.61 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 -3.32 1.60 0.00 1.43 5.36 -1.26 -4.75 117.98 117.05 1rjv s PHE 25 Ca 0.33 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.60 1rjv s PHE 25 Cb 0.43 -3.69 -0.11 0.00 -0.34 0.00 0.00 43.02 39.31 1rjv s PHE 25 CO -0.02 -0.99 2.38 -3.47 -1.46 0.00 0.00 175.22 171.66 1rjv n ASP 26 N 16.84 4.36 -0.22 6.13 -0.08 -1.26 -4.72 116.55 137.61 1rjv n ASP 26 Ca 0.43 -2.24 -0.01 0.00 -1.51 0.00 0.00 54.79 51.47 1rjv n ASP 26 Cb 0.47 -1.05 0.06 0.00 2.34 0.00 0.00 41.12 42.93 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1rjv h HIS 27 N 2.56 -0.39 -0.45 -0.67 2.07 -1.91 0.34 115.15 116.70 1rjv h HIS 27 Ca 0.08 0.06 0.07 0.00 -2.85 0.00 0.00 60.37 57.73 1rjv h HIS 27 Cb 1.04 0.27 -0.06 0.00 2.57 0.00 0.00 27.41 31.24 1rjv h HIS 27 CO 0.98 -0.29 0.11 1.57 -3.07 0.00 0.00 177.93 177.24 1rjv h LYS 28 N -0.02 0.25 -0.37 5.12 -0.00 -1.84 0.13 116.57 119.84 1rjv h LYS 28 Ca 0.31 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.88 1rjv h LYS 28 Cb 0.48 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.64 1rjv h LYS 28 CO -0.67 0.16 -0.01 -0.22 -0.00 0.00 0.00 179.45 178.72 1rjv h LYS 29 N 0.26 0.65 0.26 0.07 3.64 -1.05 -1.27 116.57 119.13 1rjv h LYS 29 Ca 0.22 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rjv h LYS 29 Cb 0.26 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1rjv h LYS 29 CO -0.27 0.76 -0.48 0.35 -2.27 0.00 0.00 179.45 177.55 1rjv h PHE 30 N 0.47 -1.35 0.00 1.91 3.04 -0.25 0.21 116.94 120.96 1rjv h PHE 30 Ca 0.10 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1rjv h PHE 30 Cb 0.47 0.56 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 1rjv h PHE 30 CO 0.04 -0.60 -0.10 0.74 -2.02 0.00 0.00 178.31 176.38 1rjv h PHE 31 N -0.81 0.00 0.12 0.41 -1.00 -0.65 0.22 116.94 115.24 1rjv h PHE 31 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1rjv h PHE 31 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1rjv h PHE 31 CO -0.35 0.10 -0.06 1.96 -1.61 0.00 0.00 178.31 178.35 1rjv h GLN 32 N 0.00 -0.16 -0.54 1.51 4.20 -0.97 0.21 115.11 119.36 1rjv h GLN 32 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1rjv h GLN 32 Cb 0.18 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1rjv h GLN 32 CO 0.01 0.32 0.24 0.52 -0.67 0.00 0.00 178.83 179.25 1rjv h MET 33 N -0.82 0.79 0.00 1.46 2.86 -0.17 -1.71 114.93 117.34 1rjv h MET 33 Ca -0.02 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1rjv h MET 33 Cb 0.55 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1rjv h MET 33 CO 0.03 0.67 0.00 -0.24 1.06 0.00 0.00 176.91 178.43 1rjv h VAL 34 N 0.73 0.00 -1.92 -2.22 3.04 -0.70 -3.44 116.25 111.73 1rjv h VAL 34 Ca 0.18 -0.25 -0.26 0.00 -1.01 0.00 0.00 66.70 65.37 1rjv h VAL 34 Cb 0.15 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1rjv h VAL 34 CO -0.02 0.00 -0.33 0.61 -1.01 0.00 0.00 177.57 176.82 1rjv n GLY 35 N -0.22 -0.15 0.41 3.17 0.00 -0.64 -4.68 105.19 103.08 1rjv n GLY 35 Ca 0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.07 -0.99 -1.67 0.99 3.38 -0.84 -0.37 115.31 115.73 1rjv h LEU 36 Ca -0.31 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rjv h LEU 36 Cb 1.23 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1rjv h LEU 36 CO 0.36 -0.58 0.44 0.11 0.09 0.00 0.00 178.44 178.87 1rjv h LYS 37 N -0.90 0.00 0.00 1.13 1.57 -1.90 0.15 116.57 116.62 1rjv h LYS 37 Ca -0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1rjv h LYS 37 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1rjv h LYS 37 CO 0.03 0.00 -0.84 1.57 -0.57 0.00 0.00 179.45 179.65 1rjv h LYS 38 N 0.00 0.00 -7.56 3.15 2.10 -1.39 -3.46 116.57 109.41 1rjv h LYS 38 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 1rjv h LYS 38 Cb 0.89 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.32 1rjv h LYS 38 CO -0.00 0.15 0.39 0.15 -2.00 0.00 0.00 179.45 178.14 1rjv s LYS 39 N -3.16 2.12 0.73 0.07 3.01 0.04 -5.09 119.74 117.47 1rjv s LYS 39 Ca 0.01 0.12 -0.12 0.00 -1.01 0.00 0.00 55.97 54.98 1rjv s LYS 39 Cb 0.08 -1.99 0.03 0.00 -1.01 0.00 0.00 37.83 34.95 1rjv s LYS 39 CO 0.77 -1.47 1.11 0.45 0.51 0.00 0.00 175.35 176.71 1rjv s SER 40 N -4.54 5.19 0.21 2.83 0.15 -1.26 -4.87 113.70 111.40 1rjv s SER 40 Ca 0.61 1.08 -0.09 0.00 0.70 0.00 0.00 55.95 58.25 1rjv s SER 40 Cb -0.11 -1.82 0.25 0.00 -1.71 0.00 0.00 66.02 62.63 1rjv s SER 40 CO 0.49 -1.50 1.79 0.00 1.20 0.00 0.00 173.24 175.21 1rjv h ALA 41 N -0.77 0.86 -0.66 5.45 0.00 -1.97 0.32 119.26 122.49 1rjv h ALA 41 Ca -0.45 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1rjv h ALA 41 Cb 1.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1rjv h ALA 41 CO 0.64 -0.03 0.41 0.22 0.00 0.00 0.00 179.25 180.48 1rjv h ASP 42 N 0.60 0.78 0.41 0.00 3.58 -2.00 -0.66 116.42 119.13 1rjv h ASP 42 Ca 0.30 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 1rjv h ASP 42 Cb 0.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1rjv h ASP 42 CO -0.22 0.59 -0.20 -0.78 -2.88 0.00 0.00 179.24 175.76 1rjv h ASP 43 N 0.90 -0.47 -1.00 2.28 1.82 -1.75 -2.96 116.42 115.24 1rjv h ASP 43 Ca 0.24 -0.11 0.28 0.00 -0.39 0.00 0.00 57.03 57.05 1rjv h ASP 43 Cb -0.05 0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.02 1rjv h ASP 43 CO -0.05 -0.14 0.70 0.58 -1.61 0.00 0.00 179.24 178.72 1rjv h VAL 44 N -0.83 0.53 0.15 2.25 2.07 -0.57 0.28 116.25 120.13 1rjv h VAL 44 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1rjv h VAL 44 Cb 0.55 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1rjv h VAL 44 CO 0.09 0.02 -0.07 0.50 0.02 0.00 0.00 177.57 178.13 1rjv h LYS 45 N 0.14 -0.20 -0.36 1.57 1.63 -1.08 -0.53 116.57 117.74 1rjv h LYS 45 Ca 0.50 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.23 1rjv h LYS 45 Cb 1.74 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.40 1rjv h LYS 45 CO -0.09 -0.06 -0.13 0.87 -3.45 0.00 0.00 179.45 176.60 1rjv h LYS 46 N -0.29 0.63 0.25 1.90 1.57 -0.44 -1.62 116.57 118.57 1rjv h LYS 46 Ca -0.02 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1rjv h LYS 46 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1rjv h LYS 46 CO 0.03 0.74 -0.34 0.28 -0.57 0.00 0.00 179.45 179.59 1rjv h VAL 47 N 0.57 0.00 -0.70 0.50 2.07 -0.60 -1.77 116.25 116.31 1rjv h VAL 47 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.77 1rjv h VAL 47 Cb 0.55 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1rjv h VAL 47 CO 0.03 0.00 0.15 0.15 0.02 0.00 0.00 177.57 177.93 1rjv h PHE 48 N -0.61 0.23 -0.61 1.57 3.57 -0.92 0.40 116.94 120.58 1rjv h PHE 48 Ca -0.03 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1rjv h PHE 48 Cb 0.56 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1rjv h PHE 48 CO -0.27 -0.08 0.41 0.45 -2.23 0.00 0.00 178.31 176.59 1rjv h HIS 49 N 0.26 0.43 -0.10 0.41 3.86 -1.14 -2.65 115.15 116.22 1rjv h HIS 49 Ca 0.39 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.51 1rjv h HIS 49 Cb 0.65 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1rjv h HIS 49 CO -0.27 0.20 -0.41 1.98 0.86 0.00 0.00 177.93 180.30 1rjv h MET 50 N 0.40 0.22 -0.09 2.45 1.85 0.00 -2.88 114.93 116.88 1rjv h MET 50 Ca 0.28 -0.10 -0.08 0.00 -0.61 0.00 0.00 59.70 59.19 1rjv h MET 50 Cb 0.57 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.60 1rjv h MET 50 CO -0.08 0.59 -0.26 -0.07 -0.40 0.00 0.00 176.91 176.69 1rjv h LEU 51 N 0.18 0.39 -6.92 3.39 -0.00 -1.50 -3.37 115.31 107.48 1rjv h LEU 51 Ca 0.02 -0.60 -0.59 0.00 -0.00 0.00 0.00 57.88 56.71 1rjv h LEU 51 Cb 0.80 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1rjv h LEU 51 CO 0.06 0.92 2.14 -0.67 -0.00 0.00 0.00 178.44 180.90 1rjv n ASP 52 N -4.47 3.18 0.07 -0.43 2.03 -1.02 -4.81 116.55 111.11 1rjv n ASP 52 Ca -0.08 -2.74 0.04 0.00 0.52 0.00 0.00 54.79 52.53 1rjv n ASP 52 Cb 0.46 -1.44 0.44 0.00 -0.72 0.00 0.00 41.12 39.86 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 7.96 0.37 0.00 -0.67 1.57 -1.81 0.55 116.57 124.54 1rjv h LYS 53 Ca 0.40 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1rjv h LYS 53 Cb 0.75 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1rjv h LYS 53 CO 1.71 0.33 0.00 -0.40 -0.57 0.00 0.00 179.45 180.52 1rjv n ASP 54 N -4.41 0.00 -1.73 0.86 5.75 -1.26 -4.93 116.55 110.83 1rjv n ASP 54 Ca 0.01 0.31 -0.18 0.00 -0.01 0.00 0.00 54.79 54.91 1rjv n ASP 54 Cb 0.14 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 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 -1.42 -1.50 0.12 0.11 4.76 0.18 -4.91 118.16 115.50 1rjv n LYS 55 Ca 0.07 1.05 0.11 0.00 -2.87 0.00 0.00 58.31 56.67 1rjv n LYS 55 Cb 0.23 -5.46 0.47 0.00 -1.84 0.00 0.00 35.03 28.44 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1rjv n SER 56 N -1.29 0.61 0.00 4.39 3.41 -1.26 -4.93 113.62 114.56 1rjv n SER 56 Ca -0.19 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1rjv n SER 56 Cb 0.62 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.04 0.51 2.94 5.00 0.00 -1.26 -5.05 105.19 107.37 1rjv n GLY 57 Ca 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 -0.59 0.20 1.61 0.08 -1.26 -4.84 117.98 111.18 1rjv s PHE 58 Ca 0.00 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 57.54 1rjv s PHE 58 Cb 0.00 -0.06 -0.08 0.00 -0.57 0.00 0.00 43.02 42.31 1rjv s PHE 58 CO 0.00 -0.57 1.06 0.42 -0.10 0.00 0.00 175.22 176.02 1rjv s ILE 59 N 2.47 3.90 0.15 0.64 1.01 -0.96 -4.94 121.20 123.47 1rjv s ILE 59 Ca 0.07 1.72 -0.03 0.00 0.00 0.00 0.00 60.65 62.40 1rjv s ILE 59 Cb -0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1rjv s ILE 59 CO -0.13 0.33 0.13 -1.83 0.00 0.00 0.00 174.94 173.44 1rjv s GLU 60 N -0.64 1.03 0.46 2.79 -1.05 -1.26 -2.76 118.70 117.26 1rjv s GLU 60 Ca 0.47 -1.39 0.23 0.00 -0.15 0.00 0.00 54.97 54.13 1rjv s GLU 60 Cb -0.29 0.28 1.23 0.00 -0.44 0.00 0.00 34.13 34.92 1rjv s GLU 60 CO 0.35 -0.32 1.87 1.05 0.95 0.00 0.00 175.26 179.16 1rjv h GLU 61 N 2.75 0.24 0.15 -4.83 4.11 -1.95 0.18 114.58 115.23 1rjv h GLU 61 Ca -0.34 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.08 1rjv h GLU 61 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1rjv h GLU 61 CO 0.55 0.16 -0.16 0.22 0.07 0.00 0.00 179.01 179.85 1rjv h ASP 62 N 0.25 -0.42 -0.13 3.06 1.82 -2.01 -2.48 116.42 116.50 1rjv h ASP 62 Ca 0.45 0.04 -0.15 0.00 -0.39 0.00 0.00 57.03 56.98 1rjv h ASP 62 Cb 1.36 0.15 0.01 0.00 0.68 0.00 0.00 39.33 41.52 1rjv h ASP 62 CO -0.12 -0.24 -0.49 -0.33 -1.61 0.00 0.00 179.24 176.46 1rjv h GLU 63 N -0.34 0.57 0.00 0.28 5.08 -1.57 -3.30 114.58 115.30 1rjv h GLU 63 Ca 0.01 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1rjv h GLU 63 Cb 0.33 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1rjv h GLU 63 CO -0.05 1.06 0.01 -0.11 -1.00 0.00 0.00 179.01 178.92 1rjv n LEU 64 N -4.22 0.56 0.25 1.33 0.00 -0.09 -0.78 117.00 114.05 1rjv n LEU 64 Ca -0.07 0.76 0.14 0.00 0.00 0.00 0.00 56.01 56.84 1rjv n LEU 64 Cb 0.59 -0.83 0.49 0.00 0.00 0.00 0.00 43.42 43.68 1rjv n LEU 64 CO 0.46 -0.95 0.90 1.23 0.00 0.00 0.00 177.39 179.03 1rjv h GLY 65 N 0.00 0.00 -2.41 -3.96 0.00 -1.53 -3.39 103.07 91.79 1rjv h GLY 65 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1rjv h GLY 65 CO 0.00 0.00 -0.61 1.97 0.00 0.00 0.00 176.54 177.90 1rjv n PHE 66 N -3.15 0.00 -0.29 5.60 -1.74 0.04 -0.45 117.46 117.48 1rjv n PHE 66 Ca 0.01 -0.49 0.13 0.00 -0.56 0.00 0.00 57.45 56.55 1rjv n PHE 66 Cb 0.40 0.21 0.38 0.00 1.52 0.00 0.00 39.48 41.99 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 5.88 0.78 0.00 1.97 -0.00 -1.33 -0.55 117.51 124.26 1rjv h ILE 67 Ca -0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.22 1rjv h ILE 67 Cb 1.61 0.05 0.00 0.00 -0.00 0.00 0.00 36.82 38.48 1rjv h ILE 67 CO -0.12 0.12 0.09 -0.07 -0.00 0.00 0.00 178.15 178.18 1rjv h LEU 68 N 0.68 0.00 -2.74 2.19 -0.00 -1.88 -0.89 115.31 112.66 1rjv h LEU 68 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 1rjv h LEU 68 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1rjv h LEU 68 CO -0.24 0.00 0.00 0.11 -0.00 0.00 0.00 178.44 178.31 1rjv h LYS 69 N 0.00 0.00 -0.16 1.13 1.57 -1.20 -0.75 116.57 117.16 1rjv h LYS 69 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1rjv h LYS 69 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1rjv h LYS 69 CO 0.00 0.00 -0.38 0.78 -0.57 0.00 0.00 179.45 179.28 1rjv h GLY 70 N 0.31 0.60 0.95 3.86 0.00 -1.32 -3.32 103.07 104.14 1rjv h GLY 70 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1rjv h GLY 70 CO 0.00 0.65 0.16 0.74 0.00 0.00 0.00 176.54 178.10 1rjv h PHE 71 N 0.19 0.64 -1.55 5.60 0.04 -1.34 -3.45 116.94 117.07 1rjv h PHE 71 Ca -0.00 -0.05 0.35 0.00 2.80 0.00 0.00 57.97 61.07 1rjv h PHE 71 Cb 0.98 -0.19 -0.11 0.00 2.20 0.00 0.00 35.95 38.84 1rjv h PHE 71 CO 0.10 0.57 0.90 0.45 -0.60 0.00 0.00 178.31 179.72 1rjv s SER 72 N -5.89 -0.02 1.07 2.17 0.15 -0.54 -4.89 113.70 105.75 1rjv s SER 72 Ca -0.13 -0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.27 1rjv s SER 72 Cb 0.10 0.11 0.23 0.00 -1.71 0.00 0.00 66.02 64.75 1rjv s SER 72 CO 0.76 -0.21 1.08 -2.16 1.20 0.00 0.00 173.24 173.91 1rjv s PRO 73 N -2.20 -0.14 -1.34 5.44 0.04 -1.26 -3.89 135.00 131.64 1rjv s PRO 73 Ca 0.19 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1rjv s PRO 73 Cb 0.04 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1rjv s PRO 73 CO -0.04 -3.10 0.00 -3.47 0.04 0.00 0.00 177.00 170.43 1rjv n ASP 74 N -4.43 -5.15 -0.15 6.66 2.03 -1.26 -4.93 116.55 109.32 1rjv n ASP 74 Ca 0.06 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.65 1rjv n ASP 74 Cb 0.57 -3.76 0.06 0.00 -0.72 0.00 0.00 41.12 37.27 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 0.00 0.54 -2.33 -1.67 0.00 -1.85 -3.48 119.26 110.47 1rjv h ALA 75 Ca -0.26 0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.02 1rjv h ALA 75 Cb 1.03 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1rjv h ALA 75 CO 0.38 -0.30 -0.49 0.54 0.00 0.00 0.00 179.25 179.38 1rjv n ARG 76 N -5.09 -2.14 -2.76 0.00 1.74 -1.26 -4.82 116.66 102.32 1rjv n ARG 76 Ca 0.05 1.50 -0.43 0.00 -0.77 0.00 0.00 57.85 58.20 1rjv n ARG 76 Cb 0.23 -2.58 -0.03 0.00 -1.02 0.00 0.00 32.46 29.05 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 -6.08 6.66 0.67 0.55 -4.77 -1.26 -4.44 116.67 108.01 1rjv s ASP 77 Ca 0.00 0.52 -0.16 0.00 -3.30 0.00 0.00 52.55 49.61 1rjv s ASP 77 Cb 0.00 -2.48 0.01 0.00 -1.09 0.00 0.00 42.92 39.36 1rjv s ASP 77 CO 0.00 -0.95 1.17 -0.76 0.70 0.00 0.00 175.17 175.33 1rjv s LEU 78 N 3.69 3.42 0.61 2.11 1.43 0.41 -5.01 118.68 125.34 1rjv s LEU 78 Ca 0.40 2.24 -0.16 0.00 -1.03 0.00 0.00 54.13 55.59 1rjv s LEU 78 Cb -0.11 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1rjv s LEU 78 CO 0.22 -1.89 1.07 -0.94 0.23 0.00 0.00 176.35 175.04 1rjv s SER 79 N -2.11 5.63 0.38 2.29 1.04 -1.26 -4.83 113.70 114.84 1rjv s SER 79 Ca 0.72 1.86 0.05 0.00 0.48 0.00 0.00 55.95 59.06 1rjv s SER 79 Cb -0.26 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 64.08 1rjv s SER 79 CO 0.41 -1.27 2.02 0.00 0.98 0.00 0.00 173.24 175.38 1rjv h ALA 80 N 0.34 1.62 -0.63 5.32 0.00 -1.99 0.72 119.26 124.64 1rjv h ALA 80 Ca -0.47 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1rjv h ALA 80 Cb 1.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1rjv h ALA 80 CO 0.57 0.34 0.16 0.87 0.00 0.00 0.00 179.25 181.18 1rjv h LYS 81 N 0.63 1.00 0.13 0.00 6.56 -2.00 -2.28 116.57 120.62 1rjv h LYS 81 Ca 0.17 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1rjv h LYS 81 Cb -0.02 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1rjv h LYS 81 CO -0.03 0.90 -0.06 1.49 -2.06 0.00 0.00 179.45 179.69 1rjv h GLU 82 N 0.92 -0.16 -0.83 3.15 4.22 -1.58 -1.93 114.58 118.35 1rjv h GLU 82 Ca 0.20 0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.83 1rjv h GLU 82 Cb 0.35 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.48 1rjv h GLU 82 CO 0.00 0.16 -0.14 1.15 -2.18 0.00 0.00 179.01 178.00 1rjv h THR 83 N -0.50 0.18 0.64 0.32 2.02 -0.93 0.35 112.91 114.99 1rjv h THR 83 Ca -0.02 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1rjv h THR 83 Cb 0.40 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1rjv h THR 83 CO 0.03 0.00 -0.50 0.11 0.37 0.00 0.00 175.52 175.53 1rjv h LYS 84 N 0.02 -1.06 -0.30 6.66 1.57 -1.24 -0.49 116.57 121.73 1rjv h LYS 84 Ca 0.42 0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1rjv h LYS 84 Cb 0.70 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1rjv h LYS 84 CO -0.83 -0.71 -0.16 1.98 -0.57 0.00 0.00 179.45 179.16 1rjv h MET 85 N -1.10 0.53 0.87 3.15 4.05 -0.50 -2.43 114.93 119.50 1rjv h MET 85 Ca -0.08 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1rjv h MET 85 Cb 0.92 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.68 1rjv h MET 85 CO 0.01 0.67 -0.42 1.25 0.23 0.00 0.00 176.91 178.66 1rjv h LEU 86 N 0.48 -0.99 -1.81 3.39 5.85 -0.35 0.82 115.31 122.70 1rjv h LEU 86 Ca 0.08 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1rjv h LEU 86 Cb 0.56 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1rjv h LEU 86 CO 0.04 -0.70 0.19 0.00 -0.34 0.00 0.00 178.44 177.63 1rjv h MET 87 N -1.18 0.24 0.33 1.25 -0.00 -0.99 0.22 114.93 114.79 1rjv h MET 87 Ca -0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 1rjv h MET 87 Cb 0.90 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 1rjv h MET 87 CO 0.20 0.16 -0.16 0.00 -0.00 0.00 0.00 176.91 177.11 1rjv h ALA 88 N 1.84 -0.44 -0.27 -3.00 0.00 -1.37 -3.16 119.26 112.86 1rjv h ALA 88 Ca 0.12 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1rjv h ALA 88 Cb 0.16 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rjv h ALA 88 CO -0.02 -0.56 -0.51 0.00 0.00 0.00 0.00 179.25 178.16 1rjv h ALA 89 N -0.33 0.43 -0.09 0.00 0.00 -0.34 -3.34 119.26 115.59 1rjv h ALA 89 Ca -0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1rjv h ALA 89 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rjv h ALA 89 CO 0.07 0.61 -0.72 0.78 0.00 0.00 0.00 179.25 180.00 1rjv h GLY 90 N 0.59 0.47 -7.71 0.00 0.00 -0.75 -3.27 103.07 92.40 1rjv h GLY 90 Ca 0.01 -0.66 -0.68 0.00 0.00 0.00 0.00 47.33 46.00 1rjv h GLY 90 CO 0.11 0.58 1.87 -0.35 0.00 0.00 0.00 176.54 178.76 1rjv s ASP 91 N -6.97 6.84 0.26 0.19 2.15 -1.19 -4.65 116.67 113.30 1rjv s ASP 91 Ca -0.06 -2.43 0.21 0.00 0.43 0.00 0.00 52.55 50.70 1rjv s ASP 91 Cb 0.10 -2.53 1.00 0.00 -0.30 0.00 0.00 42.92 41.19 1rjv s ASP 91 CO 0.84 -1.11 1.65 2.29 -0.17 0.00 0.00 175.17 178.67 1rjv n LYS 92 N 7.76 0.16 -0.00 4.34 2.85 -1.24 -3.65 118.16 128.38 1rjv n LYS 92 Ca 0.43 0.51 0.10 0.00 -1.05 0.00 0.00 58.31 58.29 1rjv n LYS 92 Cb 0.46 -1.88 -0.12 0.00 -0.65 0.00 0.00 35.03 32.84 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1rjv n ASP 93 N -2.18 0.80 0.00 -5.58 2.03 -1.26 -5.00 116.55 105.35 1rjv n ASP 93 Ca 0.01 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.56 1rjv n ASP 93 Cb 0.14 1.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.75 1rjv n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rjv n GLY 94 N 1.44 0.75 0.10 0.27 0.00 -1.24 -4.98 105.19 101.53 1rjv n GLY 94 Ca 0.02 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1rjv n GLY 94 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rjv h ASP 95 N 0.00 0.00 0.00 1.61 3.32 -1.95 -3.47 116.42 115.93 1rjv h ASP 95 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1rjv h ASP 95 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rjv h ASP 95 CO 0.00 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1rjv n GLY 96 N 1.30 0.61 3.63 2.75 0.00 -1.26 -5.00 105.19 107.22 1rjv n GLY 96 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.30 3.71 0.06 1.61 -0.14 -1.26 -4.82 119.74 118.60 1rjv s LYS 97 Ca 0.00 -0.38 -0.31 0.00 -1.36 0.00 0.00 55.97 53.93 1rjv s LYS 97 Cb 0.00 -3.08 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 1rjv s LYS 97 CO 0.00 0.37 1.41 0.42 -0.76 0.00 0.00 175.35 176.80 1rjv s ILE 98 N 0.06 3.48 0.21 2.17 1.01 -1.11 -4.55 121.20 122.47 1rjv s ILE 98 Ca 0.04 0.98 0.10 0.00 0.00 0.00 0.00 60.65 61.77 1rjv s ILE 98 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1rjv s ILE 98 CO 0.01 0.04 -0.13 -0.83 0.00 0.00 0.00 174.94 174.02 1rjv s GLY 99 N 1.56 1.74 0.12 6.18 0.00 -1.26 -2.26 107.32 113.39 1rjv s GLY 99 Ca 0.65 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1rjv s GLY 99 CO 0.29 -1.64 1.49 -0.24 0.00 0.00 0.00 173.10 173.00 1rjv h VAL 100 N 2.66 0.00 -0.30 1.40 3.04 -1.92 0.98 116.25 122.12 1rjv h VAL 100 Ca -0.45 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.17 1rjv h VAL 100 Cb 1.22 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1rjv h VAL 100 CO 0.54 0.00 -0.10 -0.78 -1.01 0.00 0.00 177.57 176.22 1rjv h ASP 101 N -0.36 0.47 0.76 3.17 3.58 -1.98 0.37 116.42 122.43 1rjv h ASP 101 Ca 0.06 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 1rjv h ASP 101 Cb 0.54 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.47 1rjv h ASP 101 CO -0.53 0.62 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.75 1rjv h GLU 102 N 0.46 -0.99 -0.64 0.28 5.08 -1.91 -3.23 114.58 113.63 1rjv h GLU 102 Ca 0.09 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1rjv h GLU 102 Cb 0.46 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1rjv h GLU 102 CO 0.03 -0.65 0.42 0.35 -1.00 0.00 0.00 179.01 178.16 1rjv h PHE 103 N -1.22 0.65 -0.95 4.33 3.57 -0.14 0.23 116.94 123.39 1rjv h PHE 103 Ca -0.10 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.57 1rjv h PHE 103 Cb 0.80 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1rjv h PHE 103 CO -0.00 0.35 0.60 1.03 -2.23 0.00 0.00 178.31 178.06 1rjv h SER 104 N 0.64 0.74 0.00 0.41 0.87 -1.04 -3.29 113.55 111.89 1rjv h SER 104 Ca 0.27 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.81 1rjv h SER 104 Cb 0.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1rjv h SER 104 CO -0.08 0.35 -1.64 0.35 -0.53 0.00 0.00 176.83 175.27 1rjv n THR 105 N -4.62 0.29 -0.55 2.23 -2.24 0.07 -4.37 114.28 105.10 1rjv n THR 105 Ca 0.20 -0.35 0.44 0.00 -2.27 0.00 0.00 64.05 62.06 1rjv n THR 105 Cb 0.49 -0.13 0.74 0.00 -2.10 0.00 0.00 70.33 69.33 1rjv n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjv h LEU 106 N 0.00 0.11 -1.36 3.22 7.12 -0.72 0.08 115.31 123.75 1rjv h LEU 106 Ca -0.12 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1rjv h LEU 106 Cb 0.99 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1rjv h LEU 106 CO 0.01 -0.09 -0.16 1.33 -0.13 0.00 0.00 178.44 179.40 1rjv n VAL 107 N -4.33 0.00 -0.13 1.05 0.24 -1.26 -1.34 118.33 112.56 1rjv n VAL 107 Ca 0.39 -0.42 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1rjv n VAL 107 Cb 1.67 1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 35.25 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 0.54 1.35 0.29 2.33 0.00 -0.16 -4.01 120.51 120.84 1rjv n ALA 108 Ca 0.09 -1.05 0.16 0.00 0.00 0.00 0.00 53.44 52.65 1rjv n ALA 108 Cb 0.42 0.09 0.84 0.00 0.00 0.00 0.00 19.45 20.81 1rjv n ALA 108 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rjv h GLU 109 N -0.67 0.00 0.00 0.00 4.11 -1.25 -3.52 114.58 113.25 1rjv h GLU 109 Ca -0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.79 1rjv h GLU 109 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1rjv h GLU 109 CO -0.31 0.06 0.00 -1.13 0.07 0.00 0.00 179.01 177.70