#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 4.41 0.48 3.17 0.15 -1.26 -5.03 113.70 115.61 1rjv s SER 2 Ca 0.00 -0.27 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1rjv s SER 2 Cb 0.00 -1.72 1.12 0.00 -1.71 0.00 0.00 66.02 63.71 1rjv s SER 2 CO 0.00 0.10 2.11 -0.03 1.20 0.00 0.00 173.24 176.63 1rjv h MET 3 N 7.17 0.20 -0.63 5.44 -1.53 -1.83 -0.02 114.93 123.74 1rjv h MET 3 Ca -0.33 -0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.04 1rjv h MET 3 Cb 1.19 -0.05 -0.12 0.00 -0.55 0.00 0.00 31.60 32.07 1rjv h MET 3 CO 0.60 0.14 -0.26 1.15 0.14 0.00 0.00 176.91 178.67 1rjv h THR 4 N 0.21 0.23 0.00 -0.77 2.02 -1.85 -1.62 112.91 111.13 1rjv h THR 4 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1rjv h THR 4 Cb 0.01 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1rjv h THR 4 CO -0.01 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.21 1rjv n ASP 5 N -5.45 0.00 -0.06 4.18 2.03 -0.03 -1.58 116.55 115.64 1rjv n ASP 5 Ca 0.06 -1.87 -0.12 0.00 0.52 0.00 0.00 54.79 53.39 1rjv n ASP 5 Cb 0.35 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.70 1rjv n ASP 5 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1rjv n LEU 6 N -0.56 1.83 0.00 -2.67 -0.00 -0.69 -4.95 117.00 109.96 1rjv n LEU 6 Ca 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1rjv n LEU 6 Cb 0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1rjv n LEU 6 CO 0.02 0.46 -0.34 0.00 -0.00 0.00 0.00 177.39 177.54 1rjv n LEU 7 N -3.26 0.00 0.00 -1.96 -0.00 -0.74 -4.99 117.00 106.05 1rjv n LEU 7 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 1rjv n LEU 7 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 1rjv n LEU 7 CO 0.06 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.04 1rjv n ASN 8 N -1.25 0.00 -0.31 1.45 3.02 -0.61 -4.85 115.26 112.70 1rjv n ASN 8 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1rjv n ASN 8 Cb 0.16 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 39.67 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 1.75 -0.62 5.41 0.00 -1.86 -1.34 119.26 122.60 1rjv h ALA 9 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1rjv h ALA 9 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1rjv h ALA 9 CO 0.00 -0.04 0.24 0.93 0.00 0.00 0.00 179.25 180.38 1rjv h GLU 10 N 0.76 0.93 -0.04 0.00 5.08 -1.94 0.11 114.58 119.48 1rjv h GLU 10 Ca 0.50 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1rjv h GLU 10 Cb 0.76 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1rjv h GLU 10 CO -0.27 0.79 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.09 1rjv h ASP 11 N 0.86 0.07 -0.91 1.42 3.32 -1.78 -3.07 116.42 116.34 1rjv h ASP 11 Ca 0.20 -0.32 0.15 0.00 0.02 0.00 0.00 57.03 57.08 1rjv h ASP 11 Cb 0.22 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 1rjv h ASP 11 CO -0.02 0.38 0.58 -0.29 -1.72 0.00 0.00 179.24 178.18 1rjv h ILE 12 N -0.23 0.81 -0.46 0.35 6.09 -1.02 -0.68 117.51 122.37 1rjv h ILE 12 Ca 0.01 -0.24 0.08 0.00 -1.37 0.00 0.00 64.86 63.35 1rjv h ILE 12 Cb 0.34 0.06 -0.07 0.00 0.47 0.00 0.00 36.82 37.62 1rjv h ILE 12 CO 0.00 0.13 0.04 0.11 -3.07 0.00 0.00 178.15 175.36 1rjv h LYS 13 N 0.69 0.15 -0.26 2.19 1.79 -0.68 0.65 116.57 121.10 1rjv h LYS 13 Ca 0.46 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.78 1rjv h LYS 13 Cb 0.76 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1rjv h LYS 13 CO -0.22 0.10 -0.44 0.87 -1.08 0.00 0.00 179.45 178.68 1rjv h LYS 14 N 0.16 0.66 0.47 3.15 1.79 -1.25 -2.70 116.57 118.84 1rjv h LYS 14 Ca 0.23 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1rjv h LYS 14 Cb 0.32 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1rjv h LYS 14 CO -0.35 0.97 -0.33 0.00 -1.08 0.00 0.00 179.45 178.66 1rjv h ALA 15 N 0.98 -0.80 -0.95 3.86 0.00 -0.49 -1.06 119.26 120.80 1rjv h ALA 15 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1rjv h ALA 15 Cb 0.97 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1rjv h ALA 15 CO 0.09 -0.97 0.62 0.28 0.00 0.00 0.00 179.25 179.27 1rjv h VAL 16 N -0.78 1.09 -0.63 0.00 2.07 -0.95 -1.41 116.25 115.64 1rjv h VAL 16 Ca -0.05 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1rjv h VAL 16 Cb 0.66 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1rjv h VAL 16 CO 0.02 0.20 0.37 1.23 0.02 0.00 0.00 177.57 179.41 1rjv h GLY 17 N 1.12 0.91 0.70 2.17 0.00 -1.22 -0.95 103.07 105.80 1rjv h GLY 17 Ca 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1rjv h GLY 17 CO -0.15 0.37 -0.00 0.00 0.00 0.00 0.00 176.54 176.75 1rjv h ALA 18 N 1.54 -0.00 -0.01 3.60 0.00 -0.08 -3.22 119.26 121.09 1rjv h ALA 18 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rjv h ALA 18 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rjv h ALA 18 CO -0.04 -0.35 -0.03 1.19 0.00 0.00 0.00 179.25 180.02 1rjv n PHE 19 N -4.95 0.00 -0.35 0.00 3.72 -1.03 -4.54 117.46 110.30 1rjv n PHE 19 Ca -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 1rjv n PHE 19 Cb 0.17 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.45 1.97 -3.10 4.37 2.88 -0.37 -4.73 113.62 114.18 1rjv n SER 20 Ca 0.20 -1.89 -0.15 0.00 -1.33 0.00 0.00 58.87 55.70 1rjv n SER 20 Cb 0.26 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjv s ALA 21 N 2.64 0.66 0.00 -1.46 0.00 -1.26 -5.04 121.76 117.29 1rjv s ALA 21 Ca 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1rjv s ALA 21 Cb 0.10 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1rjv s ALA 21 CO -0.00 -0.82 0.13 0.25 0.00 0.00 0.00 175.76 175.32 1rjv n THR 22 N -0.59 0.00 -0.05 0.00 -2.24 -1.26 -4.59 114.28 105.56 1rjv n THR 22 Ca -0.00 0.51 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1rjv n THR 22 Cb 0.61 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.55 1.32 -1.83 3.42 5.68 -1.26 -1.52 116.55 120.82 1rjv n ASP 23 Ca 0.00 -1.37 -0.17 0.00 -0.50 0.00 0.00 54.79 52.76 1rjv n ASP 23 Cb 0.00 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rjv n SER 24 N -0.18 4.85 -0.03 -1.12 7.64 -1.26 -4.73 113.62 118.78 1rjv n SER 24 Ca 0.00 -3.05 -0.09 0.00 1.01 0.00 0.00 58.87 56.74 1rjv n SER 24 Cb 0.11 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.40 1rjv n SER 24 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1rjv h PHE 25 N 1.01 -1.04 -5.86 1.43 3.57 -1.87 -3.45 116.94 110.72 1rjv h PHE 25 Ca 0.36 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.66 1rjv h PHE 25 Cb 1.57 0.47 0.06 0.00 2.79 0.00 0.00 35.95 40.84 1rjv h PHE 25 CO 0.93 -0.33 -0.59 -3.47 -2.23 0.00 0.00 178.31 172.61 1rjv n ASP 26 N -4.38 -6.43 -0.09 0.41 -0.08 -1.26 -4.47 116.55 100.25 1rjv n ASP 26 Ca -0.03 -0.59 0.22 0.00 -1.51 0.00 0.00 54.79 52.88 1rjv n ASP 26 Cb 0.23 -4.12 0.66 0.00 2.34 0.00 0.00 41.12 40.23 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 -0.56 0.10 0.46 -0.67 2.07 -1.95 -0.47 115.15 114.13 1rjv h HIS 27 Ca -0.39 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.11 1rjv h HIS 27 Cb 1.22 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 1rjv h HIS 27 CO 0.26 0.03 -0.41 0.87 -3.07 0.00 0.00 177.93 175.61 1rjv h LYS 28 N 0.08 -0.82 -0.68 5.12 6.56 -1.88 -0.40 116.57 124.55 1rjv h LYS 28 Ca 0.33 0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.97 1rjv h LYS 28 Cb 1.21 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 33.03 1rjv h LYS 28 CO -0.03 -0.55 0.37 0.87 -2.06 0.00 0.00 179.45 178.05 1rjv h LYS 29 N -0.85 0.96 0.36 3.15 6.56 -1.57 -2.20 116.57 122.99 1rjv h LYS 29 Ca -0.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.41 1rjv h LYS 29 Cb 0.72 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 1rjv h LYS 29 CO -0.02 0.72 -0.35 0.35 -2.06 0.00 0.00 179.45 178.09 1rjv h PHE 30 N 0.94 -0.98 -0.09 -1.35 3.57 -1.11 0.28 116.94 118.21 1rjv h PHE 30 Ca 0.24 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1rjv h PHE 30 Cb 0.05 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1rjv h PHE 30 CO -0.00 -0.47 0.10 0.74 -2.23 0.00 0.00 178.31 176.44 1rjv h PHE 31 N -0.71 0.00 0.08 0.41 -1.00 -1.02 0.32 116.94 115.02 1rjv h PHE 31 Ca -0.05 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1rjv h PHE 31 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1rjv h PHE 31 CO -0.19 0.00 -0.04 1.96 -1.61 0.00 0.00 178.31 178.44 1rjv h GLN 32 N 0.00 -0.10 -0.89 1.51 4.20 -1.15 0.08 115.11 118.76 1rjv h GLN 32 Ca 0.04 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1rjv h GLN 32 Cb 0.23 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1rjv h GLN 32 CO -0.00 0.39 0.59 0.52 -0.67 0.00 0.00 178.83 179.66 1rjv h MET 33 N -0.94 1.15 0.00 1.46 2.86 0.11 -0.26 114.93 119.30 1rjv h MET 33 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1rjv h MET 33 Cb 0.53 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1rjv h MET 33 CO 0.02 0.76 0.00 1.55 1.06 0.00 0.00 176.91 180.30 1rjv n VAL 34 N -4.48 0.27 -2.21 -2.22 3.14 0.05 -4.59 118.33 108.30 1rjv n VAL 34 Ca 0.10 0.07 -0.18 0.00 -2.96 0.00 0.00 64.34 61.38 1rjv n VAL 34 Cb 0.04 -0.64 -0.02 0.00 -1.06 0.00 0.00 33.84 32.15 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 1.03 0.00 0.10 7.55 0.00 -0.11 -4.66 105.19 109.10 1rjv n GLY 35 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.20 -2.45 0.99 3.38 -1.24 0.57 115.31 116.77 1rjv h LEU 36 Ca -0.40 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1rjv h LEU 36 Cb 1.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1rjv h LEU 36 CO 0.50 0.24 0.17 0.11 0.09 0.00 0.00 178.44 179.55 1rjv h LYS 37 N 0.15 0.00 0.00 1.13 1.57 -1.89 -1.62 116.57 115.91 1rjv h LYS 37 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1rjv h LYS 37 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1rjv h LYS 37 CO -0.01 0.00 -0.93 1.57 -0.57 0.00 0.00 179.45 179.51 1rjv h LYS 38 N 0.00 0.00 -7.49 3.15 2.10 -1.22 -3.46 116.57 109.64 1rjv h LYS 38 Ca 0.02 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.20 1rjv h LYS 38 Cb 0.36 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.81 1rjv h LYS 38 CO -0.00 0.16 0.33 0.15 -2.00 0.00 0.00 179.45 178.09 1rjv s LYS 39 N -3.15 1.61 0.88 0.07 3.01 -0.42 -5.06 119.74 116.67 1rjv s LYS 39 Ca 0.00 0.37 -0.12 0.00 -1.01 0.00 0.00 55.97 55.21 1rjv s LYS 39 Cb 0.08 -1.89 0.12 0.00 -1.01 0.00 0.00 37.83 35.14 1rjv s LYS 39 CO 0.77 -1.89 1.09 0.45 0.51 0.00 0.00 175.35 176.28 1rjv s SER 40 N -4.09 3.65 0.16 2.83 0.15 -1.26 -4.86 113.70 110.27 1rjv s SER 40 Ca 0.62 1.45 -0.15 0.00 0.70 0.00 0.00 55.95 58.57 1rjv s SER 40 Cb -0.14 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1rjv s SER 40 CO 0.53 -2.52 1.81 0.00 1.20 0.00 0.00 173.24 174.25 1rjv h ALA 41 N -1.47 0.57 0.00 5.45 0.00 -1.96 -0.72 119.26 121.14 1rjv h ALA 41 Ca -0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1rjv h ALA 41 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1rjv h ALA 41 CO 0.55 0.05 -0.36 0.22 0.00 0.00 0.00 179.25 179.71 1rjv h ASP 42 N 0.61 0.00 0.63 0.00 1.82 -2.00 -1.67 116.42 115.80 1rjv h ASP 42 Ca 0.16 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1rjv h ASP 42 Cb -0.04 0.00 0.01 0.00 0.68 0.00 0.00 39.33 39.98 1rjv h ASP 42 CO -0.03 0.36 -0.30 0.44 -1.61 0.00 0.00 179.24 178.10 1rjv h ASP 43 N 0.00 -0.71 -1.06 2.28 3.32 -1.87 -3.16 116.42 115.21 1rjv h ASP 43 Ca -0.00 -0.02 0.32 0.00 0.02 0.00 0.00 57.03 57.35 1rjv h ASP 43 Cb 0.69 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 1rjv h ASP 43 CO 0.05 -0.41 0.64 0.58 -1.72 0.00 0.00 179.24 178.38 1rjv h VAL 44 N -1.00 0.35 -0.74 -1.35 2.07 -0.83 0.11 116.25 114.85 1rjv h VAL 44 Ca -0.09 -0.11 0.16 0.00 0.82 0.00 0.00 66.70 67.48 1rjv h VAL 44 Cb 0.69 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1rjv h VAL 44 CO 0.14 0.06 0.50 0.50 0.02 0.00 0.00 177.57 178.80 1rjv h LYS 45 N 0.33 0.30 0.00 1.57 3.64 -1.27 -1.52 116.57 119.63 1rjv h LYS 45 Ca 0.71 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.99 1rjv h LYS 45 Cb 1.73 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 1rjv h LYS 45 CO -0.49 0.20 -1.50 1.63 -2.27 0.00 0.00 179.45 177.02 1rjv n LYS 46 N -4.45 0.63 0.39 1.90 4.01 0.34 -3.94 118.16 117.04 1rjv n LYS 46 Ca 0.14 0.06 -0.17 0.00 -0.51 0.00 0.00 58.31 57.84 1rjv n LYS 46 Cb 0.60 -1.72 -0.08 0.00 -0.51 0.00 0.00 35.03 33.32 1rjv n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1rjv h VAL 47 N 0.00 0.00 -0.86 -0.18 2.07 -0.76 -2.90 116.25 113.62 1rjv h VAL 47 Ca -0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.60 1rjv h VAL 47 Cb 1.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1rjv h VAL 47 CO 0.02 0.00 0.41 0.15 0.02 0.00 0.00 177.57 178.17 1rjv h PHE 48 N -1.04 0.70 0.00 1.57 3.57 -1.64 -0.43 116.94 119.68 1rjv h PHE 48 Ca -0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1rjv h PHE 48 Cb 0.82 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1rjv h PHE 48 CO -0.02 0.08 0.09 1.25 -2.23 0.00 0.00 178.31 177.49 1rjv h HIS 49 N 0.52 0.00 0.00 0.41 2.76 -1.65 -1.33 115.15 115.86 1rjv h HIS 49 Ca 0.50 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.45 1rjv h HIS 49 Cb 0.82 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 1rjv h HIS 49 CO -0.11 0.00 -1.41 1.98 -1.30 0.00 0.00 177.93 177.09 1rjv h MET 50 N 0.00 0.00 0.15 5.26 1.85 -0.87 -3.37 114.93 117.96 1rjv h MET 50 Ca 0.00 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.80 1rjv h MET 50 Cb 0.19 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.23 1rjv h MET 50 CO 0.00 0.47 -1.29 -0.07 -0.40 0.00 0.00 176.91 175.62 1rjv h LEU 51 N 0.00 0.61 -8.25 3.39 4.07 -1.30 -3.38 115.31 110.45 1rjv h LEU 51 Ca -0.18 -0.63 -0.16 0.00 0.08 0.00 0.00 57.88 56.99 1rjv h LEU 51 Cb 1.76 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 43.28 1rjv h LEU 51 CO 0.07 1.48 0.42 -1.81 -1.08 0.00 0.00 178.44 177.52 1rjv s ASP 52 N -7.31 4.51 0.14 -0.43 1.11 -1.05 -4.81 116.67 108.83 1rjv s ASP 52 Ca -0.06 -0.46 -0.11 0.00 0.18 0.00 0.00 52.55 52.10 1rjv s ASP 52 Cb 0.06 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1rjv s ASP 52 CO 0.91 -3.37 1.46 0.11 1.18 0.00 0.00 175.17 175.46 1rjv h LYS 53 N 11.77 0.92 0.00 8.23 1.57 -1.87 -2.14 116.57 135.06 1rjv h LYS 53 Ca 0.06 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1rjv h LYS 53 Cb 1.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1rjv h LYS 53 CO 1.11 1.16 0.00 -0.40 -0.57 0.00 0.00 179.45 180.75 1rjv n ASP 54 N -4.04 0.00 -1.23 0.86 5.68 -1.26 -4.93 116.55 111.63 1rjv n ASP 54 Ca -0.03 0.31 -0.13 0.00 -0.50 0.00 0.00 54.79 54.44 1rjv n ASP 54 Cb 0.57 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rjv n LYS 55 N -1.41 -1.46 0.27 0.11 4.76 -0.80 -4.88 118.16 114.73 1rjv n LYS 55 Ca 0.06 0.86 0.16 0.00 -2.87 0.00 0.00 58.31 56.52 1rjv n LYS 55 Cb 0.18 -5.12 0.62 0.00 -1.84 0.00 0.00 35.03 28.87 1rjv n LYS 55 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1rjv h SER 56 N 0.00 0.00 0.00 4.39 4.64 -1.92 -3.47 113.55 117.20 1rjv h SER 56 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1rjv h SER 56 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1rjv h SER 56 CO 0.40 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1rjv n GLY 57 N 0.10 1.14 3.25 -0.77 0.00 -1.26 -5.10 105.19 102.55 1rjv n GLY 57 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.91 -0.07 1.61 0.08 -1.26 -4.81 117.98 110.62 1rjv s PHE 58 Ca 0.00 1.52 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 1rjv s PHE 58 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 42.74 1rjv s PHE 58 CO 0.00 -0.56 0.66 0.42 -0.10 0.00 0.00 175.22 175.64 1rjv s ILE 59 N 2.65 5.07 0.24 0.64 1.01 -0.89 -4.93 121.20 124.98 1rjv s ILE 59 Ca 0.01 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.05 1rjv s ILE 59 Cb -0.13 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 1rjv s ILE 59 CO -0.14 0.27 0.02 -1.83 0.00 0.00 0.00 174.94 173.25 1rjv s GLU 60 N 0.73 1.36 0.38 2.79 -1.05 -1.26 -2.18 118.70 119.47 1rjv s GLU 60 Ca 0.35 -1.70 0.16 0.00 -0.15 0.00 0.00 54.97 53.63 1rjv s GLU 60 Cb -0.17 -0.57 1.03 0.00 -0.44 0.00 0.00 34.13 33.98 1rjv s GLU 60 CO 0.17 -0.13 1.79 0.93 0.95 0.00 0.00 175.26 178.96 1rjv h GLU 61 N 2.45 0.46 -0.43 -4.83 5.08 -1.96 -0.26 114.58 115.08 1rjv h GLU 61 Ca -0.38 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1rjv h GLU 61 Cb 1.23 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1rjv h GLU 61 CO 0.64 0.30 -0.36 0.22 -1.00 0.00 0.00 179.01 178.82 1rjv h ASP 62 N 0.47 -1.19 0.61 1.42 1.82 -2.01 -1.80 116.42 115.72 1rjv h ASP 62 Ca 0.57 0.20 -0.28 0.00 -0.39 0.00 0.00 57.03 57.14 1rjv h ASP 62 Cb 1.32 0.55 -0.02 0.00 0.68 0.00 0.00 39.33 41.87 1rjv h ASP 62 CO -0.30 -0.33 -1.39 -0.33 -1.61 0.00 0.00 179.24 175.28 1rjv h GLU 63 N -0.26 0.16 -0.21 0.28 5.08 -1.62 -3.34 114.58 114.66 1rjv h GLU 63 Ca 0.17 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1rjv h GLU 63 Cb 0.55 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1rjv h GLU 63 CO -0.57 1.02 0.20 1.25 -1.00 0.00 0.00 179.01 179.91 1rjv h LEU 64 N 0.04 0.00 -1.97 1.33 6.46 -0.78 -0.42 115.31 119.98 1rjv h LEU 64 Ca -0.18 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.69 1rjv h LEU 64 Cb 1.95 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.87 1rjv h LEU 64 CO 0.15 0.00 0.45 1.23 -0.62 0.00 0.00 178.44 179.64 1rjv h GLY 65 N 0.00 0.00 -5.07 3.75 0.00 -1.47 -3.32 103.07 96.97 1rjv h GLY 65 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 1rjv h GLY 65 CO -0.00 0.00 -0.69 1.97 0.00 0.00 0.00 176.54 177.81 1rjv n PHE 66 N -3.67 -0.78 -0.27 5.60 -1.74 -0.18 -0.27 117.46 116.15 1rjv n PHE 66 Ca 0.07 -2.15 0.18 0.00 -0.56 0.00 0.00 57.45 54.98 1rjv n PHE 66 Cb 0.62 0.75 0.47 0.00 1.52 0.00 0.00 39.48 42.83 1rjv n PHE 66 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1rjv h ILE 67 N 3.29 0.69 -0.40 1.97 -0.00 -1.64 -0.91 117.51 120.52 1rjv h ILE 67 Ca -0.24 -0.17 0.11 0.00 -0.00 0.00 0.00 64.86 64.56 1rjv h ILE 67 Cb 1.26 0.15 -0.02 0.00 -0.00 0.00 0.00 36.82 38.22 1rjv h ILE 67 CO 0.10 0.09 0.36 -0.07 -0.00 0.00 0.00 178.15 178.63 1rjv h LEU 68 N 0.49 0.00 -0.46 0.16 3.38 -1.89 -1.28 115.31 115.72 1rjv h LEU 68 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1rjv h LEU 68 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1rjv h LEU 68 CO -0.22 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.48 1rjv n LYS 69 N -3.99 0.09 0.06 1.13 0.00 -0.35 -1.15 118.16 113.95 1rjv n LYS 69 Ca 0.07 0.41 -0.22 0.00 0.00 0.00 0.00 58.31 58.56 1rjv n LYS 69 Cb 0.54 -1.70 -0.15 0.00 0.00 0.00 0.00 35.03 33.72 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 1.66 0.40 0.83 3.14 0.00 -1.41 -3.39 103.07 104.30 1rjv h GLY 70 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1rjv h GLY 70 CO 0.00 0.90 -0.15 0.74 0.00 0.00 0.00 176.54 178.03 1rjv h PHE 71 N -0.11 -0.38 -2.32 5.60 -1.00 -1.21 -3.43 116.94 114.08 1rjv h PHE 71 Ca -0.28 0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.71 1rjv h PHE 71 Cb 1.92 0.15 -0.06 0.00 3.61 0.00 0.00 35.95 41.57 1rjv h PHE 71 CO 0.13 -0.23 0.64 -1.12 -1.61 0.00 0.00 178.31 176.13 1rjv s SER 72 N -4.91 -0.03 1.20 2.17 0.01 -0.30 -4.61 113.70 107.22 1rjv s SER 72 Ca -0.15 -0.50 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 1rjv s SER 72 Cb 0.06 0.41 0.29 0.00 0.21 0.00 0.00 66.02 66.99 1rjv s SER 72 CO 0.65 -0.80 1.12 -2.16 0.41 0.00 0.00 173.24 172.46 1rjv s PRO 73 N -2.36 -1.24 0.00 12.44 0.04 -1.26 -4.01 135.00 138.61 1rjv s PRO 73 Ca 0.21 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1rjv s PRO 73 Cb -0.01 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1rjv s PRO 73 CO 0.03 -3.71 0.00 -0.25 0.04 0.00 0.00 177.00 173.10 1rjv n ASP 74 N -4.76 -2.56 -0.07 6.66 8.00 -1.26 -4.94 116.55 117.63 1rjv n ASP 74 Ca 0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 1rjv n ASP 74 Cb 0.60 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjv h ALA 75 N 0.00 -0.63 -2.00 2.24 0.00 -1.85 -3.49 119.26 113.53 1rjv h ALA 75 Ca 0.00 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1rjv h ALA 75 Cb 0.26 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1rjv h ALA 75 CO 0.00 -0.96 -0.57 0.54 0.00 0.00 0.00 179.25 178.26 1rjv n ARG 76 N -5.42 -1.87 -2.77 0.00 1.74 -1.26 -4.77 116.66 102.31 1rjv n ARG 76 Ca -0.03 1.42 -0.43 0.00 -0.77 0.00 0.00 57.85 58.04 1rjv n ARG 76 Cb 0.36 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.55 1rjv n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjv s ASP 77 N -6.26 6.82 1.07 0.55 1.01 -1.26 -4.54 116.67 114.07 1rjv s ASP 77 Ca 0.00 0.89 -0.13 0.00 0.71 0.00 0.00 52.55 54.03 1rjv s ASP 77 Cb 0.00 -2.49 0.23 0.00 1.01 0.00 0.00 42.92 41.68 1rjv s ASP 77 CO 0.00 -0.76 1.07 -0.76 0.21 0.00 0.00 175.17 174.93 1rjv s LEU 78 N 3.34 1.22 0.06 1.23 1.43 0.62 -4.96 118.68 121.63 1rjv s LEU 78 Ca 0.40 1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1rjv s LEU 78 Cb -0.13 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 1rjv s LEU 78 CO 0.14 -3.59 0.50 -0.55 0.23 0.00 0.00 176.35 173.08 1rjv s SER 79 N -3.13 6.92 0.62 2.29 0.15 -0.57 -4.94 113.70 115.03 1rjv s SER 79 Ca 0.67 1.11 0.32 0.00 0.70 0.00 0.00 55.95 58.74 1rjv s SER 79 Cb -0.21 -2.30 1.80 0.00 -1.71 0.00 0.00 66.02 63.60 1rjv s SER 79 CO 0.60 0.26 2.12 0.00 1.20 0.00 0.00 173.24 177.43 1rjv h ALA 80 N 4.39 1.58 -0.24 5.45 0.00 -1.97 0.14 119.26 128.61 1rjv h ALA 80 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rjv h ALA 80 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rjv h ALA 80 CO 0.63 -0.24 0.12 0.87 0.00 0.00 0.00 179.25 180.63 1rjv h LYS 81 N 0.00 0.34 0.19 0.00 6.56 -1.93 -0.40 116.57 121.31 1rjv h LYS 81 Ca 0.05 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1rjv h LYS 81 Cb 0.42 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1rjv h LYS 81 CO -0.00 0.33 -0.11 1.05 -2.06 0.00 0.00 179.45 178.65 1rjv h GLU 82 N 0.26 -0.28 -0.45 3.15 -0.00 -1.00 -2.27 114.58 113.99 1rjv h GLU 82 Ca 0.08 0.02 0.08 0.00 -0.00 0.00 0.00 59.36 59.54 1rjv h GLU 82 Cb 0.09 0.06 -0.10 0.00 -0.00 0.00 0.00 28.75 28.81 1rjv h GLU 82 CO -0.01 -0.19 -0.40 1.15 -0.00 0.00 0.00 179.01 179.56 1rjv h THR 83 N -0.29 0.13 -0.23 -1.06 2.02 -1.11 0.36 112.91 112.73 1rjv h THR 83 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1rjv h THR 83 Cb 0.24 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1rjv h THR 83 CO 0.02 0.00 0.11 0.50 0.37 0.00 0.00 175.52 176.52 1rjv h LYS 84 N -0.28 0.23 -0.23 6.66 3.64 -1.02 0.62 116.57 126.18 1rjv h LYS 84 Ca 0.16 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1rjv h LYS 84 Cb 0.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1rjv h LYS 84 CO -0.60 0.15 -0.12 0.52 -2.27 0.00 0.00 179.45 177.13 1rjv h MET 85 N 0.24 0.49 -0.15 1.90 2.86 -0.78 -3.04 114.93 116.45 1rjv h MET 85 Ca 0.09 -0.22 -0.19 0.00 -2.06 0.00 0.00 59.70 57.32 1rjv h MET 85 Cb 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1rjv h MET 85 CO -0.07 0.77 -0.68 1.25 1.06 0.00 0.00 176.91 179.25 1rjv h LEU 86 N 0.20 0.69 -0.15 1.22 7.12 -0.25 -1.42 115.31 122.71 1rjv h LEU 86 Ca 0.05 -0.42 0.05 0.00 0.13 0.00 0.00 57.88 57.69 1rjv h LEU 86 Cb 0.63 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.49 1rjv h LEU 86 CO 0.04 1.17 -0.41 -0.03 -0.13 0.00 0.00 178.44 179.08 1rjv h MET 87 N 0.42 -0.45 -0.64 1.25 4.05 -0.96 0.40 114.93 118.99 1rjv h MET 87 Ca -0.02 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1rjv h MET 87 Cb 1.26 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.13 1rjv h MET 87 CO 0.13 -0.30 0.43 0.00 0.23 0.00 0.00 176.91 177.39 1rjv h ALA 88 N 0.17 1.65 0.25 0.39 0.00 -1.38 -1.35 119.26 119.00 1rjv h ALA 88 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rjv h ALA 88 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rjv h ALA 88 CO -0.40 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 179.00 1rjv h ALA 89 N 1.63 -0.35 -0.46 0.00 0.00 -0.97 -3.40 119.26 115.71 1rjv h ALA 89 Ca 0.26 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1rjv h ALA 89 Cb 0.09 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1rjv h ALA 89 CO -0.07 -0.32 -0.39 0.78 0.00 0.00 0.00 179.25 179.25 1rjv h GLY 90 N -1.05 -0.39 -5.54 0.00 0.00 -0.13 -3.00 103.07 92.95 1rjv h GLY 90 Ca -0.03 0.50 -0.32 0.00 0.00 0.00 0.00 47.33 47.47 1rjv h GLY 90 CO 0.06 -0.19 2.36 1.34 0.00 0.00 0.00 176.54 180.11 1rjv n ASP 91 N -5.42 4.14 0.17 0.19 2.03 -0.52 -4.59 116.55 112.56 1rjv n ASP 91 Ca 0.01 -2.28 0.12 0.00 0.52 0.00 0.00 54.79 53.16 1rjv n ASP 91 Cb 0.35 -1.00 0.60 0.00 -0.72 0.00 0.00 41.12 40.34 1rjv n ASP 91 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1rjv h LYS 92 N 6.60 0.00 0.00 -0.67 5.09 -1.78 0.13 116.57 125.95 1rjv h LYS 92 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.16 1rjv h LYS 92 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 1rjv h LYS 92 CO 1.39 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 178.31 1rjv h ASP 93 N 0.00 0.00 -0.29 7.07 3.32 -1.91 -3.48 116.42 121.14 1rjv h ASP 93 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1rjv h ASP 93 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1rjv h ASP 93 CO 0.00 0.00 -0.06 0.61 -1.72 0.00 0.00 179.24 178.07 1rjv n GLY 94 N 1.25 0.38 0.11 2.75 0.00 0.03 -4.98 105.19 104.73 1rjv n GLY 94 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 0.42 0.00 1.61 3.32 -1.94 -3.48 116.42 116.35 1rjv h ASP 95 Ca -0.06 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1rjv h ASP 95 Cb 0.73 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1rjv h ASP 95 CO 0.08 1.36 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 1rjv n GLY 96 N 1.54 0.87 3.36 2.75 0.00 -1.26 -5.11 105.19 107.33 1rjv n GLY 96 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.41 1.95 0.13 1.61 1.02 -1.26 -4.83 119.74 117.94 1rjv s LYS 97 Ca 0.00 -1.03 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1rjv s LYS 97 Cb 0.00 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 1rjv s LYS 97 CO 0.00 0.53 1.33 0.42 -0.92 0.00 0.00 175.35 176.72 1rjv s ILE 98 N -0.78 3.41 0.20 2.17 1.01 -0.93 -4.52 121.20 121.77 1rjv s ILE 98 Ca 0.12 1.05 0.09 0.00 0.00 0.00 0.00 60.65 61.91 1rjv s ILE 98 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1rjv s ILE 98 CO 0.02 0.10 -0.10 -0.83 0.00 0.00 0.00 174.94 174.13 1rjv s GLY 99 N 0.90 1.73 0.22 6.18 0.00 -1.26 -2.11 107.32 112.98 1rjv s GLY 99 Ca 0.61 -1.55 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 1rjv s GLY 99 CO 0.32 -1.58 1.70 -0.24 0.00 0.00 0.00 173.10 173.30 1rjv h VAL 100 N 2.59 0.60 -0.21 1.40 3.04 -1.94 -0.49 116.25 121.25 1rjv h VAL 100 Ca -0.46 -0.09 -0.12 0.00 -1.01 0.00 0.00 66.70 65.02 1rjv h VAL 100 Cb 1.22 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1rjv h VAL 100 CO 0.55 0.05 -0.40 -0.78 -1.01 0.00 0.00 177.57 175.98 1rjv h ASP 101 N 0.27 0.50 0.89 3.17 3.58 -1.98 -0.07 116.42 122.77 1rjv h ASP 101 Ca 0.35 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1rjv h ASP 101 Cb 0.54 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1rjv h ASP 101 CO -0.43 0.85 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.01 1rjv h GLU 102 N 0.39 -1.15 -1.00 0.28 5.08 -1.83 -3.27 114.58 113.09 1rjv h GLU 102 Ca 0.04 0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1rjv h GLU 102 Cb 0.87 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 1rjv h GLU 102 CO 0.07 -0.77 0.64 0.35 -1.00 0.00 0.00 179.01 178.30 1rjv h PHE 103 N -1.19 1.16 -1.00 4.33 3.57 -0.44 0.39 116.94 123.75 1rjv h PHE 103 Ca -0.12 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.52 1rjv h PHE 103 Cb 0.92 -0.37 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1rjv h PHE 103 CO 0.03 0.51 0.64 1.03 -2.23 0.00 0.00 178.31 178.28 1rjv h SER 104 N 1.05 0.96 0.00 0.41 0.87 -1.16 -3.29 113.55 112.39 1rjv h SER 104 Ca 0.48 0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.88 1rjv h SER 104 Cb 0.39 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1rjv h SER 104 CO -0.23 0.54 -1.82 0.35 -0.53 0.00 0.00 176.83 175.13 1rjv n THR 105 N -4.58 0.73 -0.33 2.23 -2.24 0.14 -4.30 114.28 105.92 1rjv n THR 105 Ca 0.18 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 1rjv n THR 105 Cb 0.31 -0.53 0.34 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.56 -0.03 3.22 7.12 -0.47 0.12 115.31 125.84 1rjv h LEU 106 Ca -0.29 0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1rjv h LEU 106 Cb 1.59 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1rjv h LEU 106 CO 0.02 0.09 -0.06 1.33 -0.13 0.00 0.00 178.44 179.69 1rjv n VAL 107 N -4.93 0.00 -0.01 1.05 0.24 -1.24 -1.12 118.33 112.33 1rjv n VAL 107 Ca 0.24 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 62.32 1rjv n VAL 107 Cb 0.68 -0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 32.53 1rjv n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjv h ALA 108 N 3.19 0.33 0.00 2.33 0.00 -1.28 -3.28 119.26 120.55 1rjv h ALA 108 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1rjv h ALA 108 Cb 0.42 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1rjv h ALA 108 CO 0.00 1.09 0.27 0.93 0.00 0.00 0.00 179.25 181.53 1rjv h GLU 109 N -0.20 0.00 0.00 0.00 4.39 -0.76 -3.52 114.58 114.48 1rjv h GLU 109 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1rjv h GLU 109 Cb 1.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1rjv h GLU 109 CO 0.03 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.75