#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 -1.51 -4.19 6.12 7.64 -1.26 -5.08 113.62 115.34 1rjv n SER 2 Ca 0.00 -1.82 -0.39 0.00 1.01 0.00 0.00 58.87 57.67 1rjv n SER 2 Cb 0.00 0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 1rjv n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1rjv n MET 3 N 1.71 2.29 0.00 1.43 0.00 -1.26 -1.88 117.12 119.41 1rjv n MET 3 Ca 0.04 -2.59 0.00 0.00 0.00 0.00 0.00 57.70 55.15 1rjv n MET 3 Cb 0.69 -3.39 0.00 0.00 0.00 0.00 0.00 33.22 30.52 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 6.44 0.00 -0.11 1.12 -1.04 -1.26 -4.80 114.28 114.64 1rjv n THR 4 Ca 0.49 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 62.25 1rjv n THR 4 Cb 0.43 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.00 1.94 0.22 8.00 2.03 -0.79 -1.66 116.55 126.29 1rjv n ASP 5 Ca 0.00 0.32 0.08 0.00 0.52 0.00 0.00 54.79 55.71 1rjv n ASP 5 Cb 0.00 -0.86 0.51 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.78 0.00 0.00 -2.67 3.38 -1.85 -3.41 115.31 109.98 1rjv h LEU 6 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1rjv h LEU 6 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1rjv h LEU 6 CO -0.24 0.25 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1rjv n LEU 7 N -3.73 0.00 0.00 1.67 7.99 -1.26 -4.95 117.00 116.72 1rjv n LEU 7 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1rjv n LEU 7 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1rjv n LEU 7 CO 0.34 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.81 1rjv n ASN 8 N -0.62 0.00 -0.30 -1.43 3.02 -1.21 -4.99 115.26 109.73 1rjv n ASN 8 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1rjv n ASN 8 Cb 0.00 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.41 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 1.33 -0.76 5.41 0.00 -1.63 0.15 119.26 123.76 1rjv h ALA 9 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rjv h ALA 9 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1rjv h ALA 9 CO 0.00 -0.08 0.25 0.93 0.00 0.00 0.00 179.25 180.35 1rjv h GLU 10 N 0.64 1.17 -0.22 0.00 5.08 -1.98 0.16 114.58 119.43 1rjv h GLU 10 Ca 0.48 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1rjv h GLU 10 Cb 0.68 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1rjv h GLU 10 CO -0.37 0.98 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.09 1rjv h ASP 11 N 1.12 0.46 -0.81 1.42 3.32 -1.70 -2.96 116.42 117.28 1rjv h ASP 11 Ca 0.25 -0.40 0.06 0.00 0.02 0.00 0.00 57.03 56.95 1rjv h ASP 11 Cb 0.29 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1rjv h ASP 11 CO -0.01 0.76 0.50 0.40 -1.72 0.00 0.00 179.24 179.17 1rjv h ILE 12 N 0.16 1.04 -0.69 0.35 5.03 -0.74 -0.35 117.51 122.31 1rjv h ILE 12 Ca 0.05 -0.31 0.09 0.00 -0.12 0.00 0.00 64.86 64.56 1rjv h ILE 12 Cb 0.59 0.04 -0.07 0.00 -3.03 0.00 0.00 36.82 34.35 1rjv h ILE 12 CO 0.03 0.17 0.34 0.50 -0.68 0.00 0.00 178.15 178.50 1rjv h LYS 13 N 0.91 0.57 -0.22 2.37 1.63 -0.63 0.60 116.57 121.80 1rjv h LYS 13 Ca 0.35 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.93 1rjv h LYS 13 Cb 0.15 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1rjv h LYS 13 CO -0.17 0.38 -0.60 0.87 -3.45 0.00 0.00 179.45 176.48 1rjv h LYS 14 N 0.58 0.74 0.47 1.90 1.57 -1.29 -3.22 116.57 117.31 1rjv h LYS 14 Ca 0.33 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1rjv h LYS 14 Cb 0.34 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1rjv h LYS 14 CO -0.26 1.12 -0.36 0.00 -0.57 0.00 0.00 179.45 179.39 1rjv h ALA 15 N 0.77 -0.83 -0.52 3.86 0.00 -0.37 -2.89 119.26 119.27 1rjv h ALA 15 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rjv h ALA 15 Cb 1.19 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1rjv h ALA 15 CO 0.12 -0.99 0.35 0.28 0.00 0.00 0.00 179.25 179.01 1rjv h VAL 16 N -0.81 0.95 0.00 0.00 2.07 -1.01 0.16 116.25 117.60 1rjv h VAL 16 Ca -0.05 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1rjv h VAL 16 Cb 0.69 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1rjv h VAL 16 CO 0.00 0.07 0.00 1.23 0.02 0.00 0.00 177.57 178.90 1rjv h GLY 17 N 0.41 0.00 0.00 2.17 0.00 -1.52 0.31 103.07 104.44 1rjv h GLY 17 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 1rjv h GLY 17 CO -0.06 0.00 -0.77 0.00 0.00 0.00 0.00 176.54 175.71 1rjv h ALA 18 N 2.09 0.13 0.00 3.60 0.00 -0.62 -3.38 119.26 121.08 1rjv h ALA 18 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1rjv h ALA 18 Cb 0.15 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rjv h ALA 18 CO 0.00 0.50 0.00 0.74 0.00 0.00 0.00 179.25 180.49 1rjv h PHE 19 N -1.00 0.00 0.00 0.00 0.04 -1.44 -3.38 116.94 111.15 1rjv h PHE 19 Ca -0.17 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.35 1rjv h PHE 19 Cb 0.92 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.08 1rjv h PHE 19 CO 0.02 0.00 2.00 0.45 -0.60 0.00 0.00 178.31 180.18 1rjv n SER 20 N -2.62 3.27 -0.56 2.17 2.88 0.09 -4.71 113.62 114.14 1rjv n SER 20 Ca 0.02 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 1rjv n SER 20 Cb 0.28 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 4.38 0.00 -3.91 -1.46 0.00 -1.26 -4.99 120.51 113.27 1rjv n ALA 21 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1rjv n ALA 21 Cb 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.21 1.44 0.00 0.00 -4.23 -1.26 -4.47 115.64 104.90 1rjv s THR 22 Ca 0.00 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1rjv s THR 22 Cb 0.00 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1rjv s THR 22 CO 0.00 -0.19 0.00 -0.67 -0.54 0.00 0.00 174.62 173.22 1rjv n ASP 23 N 4.69 0.00 -1.83 3.99 2.03 -1.26 -4.90 116.55 119.27 1rjv n ASP 23 Ca -0.10 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.09 1rjv n ASP 23 Cb 0.44 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1rjv n SER 24 N 0.00 6.07 0.24 1.67 2.88 -1.26 -4.77 113.62 118.45 1rjv n SER 24 Ca 0.00 -2.85 -0.17 0.00 -1.33 0.00 0.00 58.87 54.52 1rjv n SER 24 Cb 0.00 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 62.25 1rjv n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1rjv h PHE 25 N 1.55 -1.40 -6.72 0.66 3.57 -1.90 -3.43 116.94 109.27 1rjv h PHE 25 Ca 0.21 0.02 -0.55 0.00 3.53 0.00 0.00 57.97 61.18 1rjv h PHE 25 Cb 0.96 0.56 -0.19 0.00 2.79 0.00 0.00 35.95 40.07 1rjv h PHE 25 CO 0.75 -0.63 -0.84 -0.25 -2.23 0.00 0.00 178.31 175.11 1rjv n ASP 26 N -5.40 -2.97 -0.23 0.41 9.92 -1.26 -4.55 116.55 112.47 1rjv n ASP 26 Ca -0.11 -1.01 0.17 0.00 -0.53 0.00 0.00 54.79 53.32 1rjv n ASP 26 Cb 0.43 -2.79 0.49 0.00 -0.64 0.00 0.00 41.12 38.61 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 1rjv h HIS 27 N -1.55 0.57 -1.01 1.24 2.07 -1.98 0.40 115.15 114.89 1rjv h HIS 27 Ca -0.60 0.02 0.23 0.00 -2.85 0.00 0.00 60.37 57.17 1rjv h HIS 27 Cb 1.38 -0.18 -0.11 0.00 2.57 0.00 0.00 27.41 31.07 1rjv h HIS 27 CO 0.62 0.17 0.61 0.87 -3.07 0.00 0.00 177.93 177.13 1rjv h LYS 28 N 0.45 0.58 0.13 5.12 1.57 -1.86 0.27 116.57 122.84 1rjv h LYS 28 Ca 0.45 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.98 1rjv h LYS 28 Cb 1.04 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.23 1rjv h LYS 28 CO -0.17 0.39 -0.99 -0.22 -0.57 0.00 0.00 179.45 177.89 1rjv h LYS 29 N 0.60 0.27 0.14 3.15 3.64 -0.56 -3.19 116.57 120.63 1rjv h LYS 29 Ca 0.62 -0.46 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1rjv h LYS 29 Cb 1.18 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1rjv h LYS 29 CO -0.42 1.22 -0.50 0.35 -2.27 0.00 0.00 179.45 177.83 1rjv h PHE 30 N -0.38 -1.45 0.00 1.91 3.04 -0.84 -0.20 116.94 119.02 1rjv h PHE 30 Ca -0.19 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1rjv h PHE 30 Cb 1.66 0.61 0.00 0.00 2.56 0.00 0.00 35.95 40.78 1rjv h PHE 30 CO 0.18 -0.57 0.00 0.74 -2.02 0.00 0.00 178.31 176.64 1rjv h PHE 31 N -0.73 0.00 0.00 0.41 -1.00 -0.62 0.19 116.94 115.19 1rjv h PHE 31 Ca -0.01 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1rjv h PHE 31 Cb 0.72 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 1rjv h PHE 31 CO -0.43 0.00 -0.72 1.96 -1.61 0.00 0.00 178.31 177.51 1rjv h GLN 32 N 0.00 0.00 -0.87 1.51 4.20 -1.47 -1.27 115.11 117.21 1rjv h GLN 32 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1rjv h GLN 32 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1rjv h GLN 32 CO 0.00 0.71 0.51 0.52 -0.67 0.00 0.00 178.83 179.90 1rjv h MET 33 N -1.00 1.20 0.00 1.46 2.86 -0.41 -0.83 114.93 118.21 1rjv h MET 33 Ca -0.17 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1rjv h MET 33 Cb 0.96 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1rjv h MET 33 CO -0.10 0.85 0.00 1.55 1.06 0.00 0.00 176.91 180.27 1rjv n VAL 34 N -4.39 0.79 -1.44 -2.22 3.14 0.59 -4.76 118.33 110.04 1rjv n VAL 34 Ca 0.09 0.15 -0.15 0.00 -2.96 0.00 0.00 64.34 61.47 1rjv n VAL 34 Cb 0.07 -1.03 -0.06 0.00 -1.06 0.00 0.00 33.84 31.76 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 0.25 1.49 0.45 7.55 0.00 -0.32 -4.59 105.19 110.01 1rjv n GLY 35 Ca 0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.53 0.00 0.99 3.38 -1.49 0.16 115.31 116.81 1rjv h LEU 36 Ca -0.31 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rjv h LEU 36 Cb 1.14 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1rjv h LEU 36 CO 0.45 -0.49 0.00 2.29 0.09 0.00 0.00 178.44 180.78 1rjv n LYS 37 N -5.45 0.10 0.06 1.13 2.85 -1.19 -1.40 118.16 114.26 1rjv n LYS 37 Ca -0.06 0.22 0.12 0.00 -1.05 0.00 0.00 58.31 57.54 1rjv n LYS 37 Cb 0.39 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.40 1rjv n LYS 37 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1rjv h LYS 38 N 0.00 0.00 -7.18 -1.58 2.10 -1.01 -3.47 116.57 105.44 1rjv h LYS 38 Ca 0.00 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.20 1rjv h LYS 38 Cb 0.17 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.57 1rjv h LYS 38 CO 0.00 0.00 0.16 0.15 -2.00 0.00 0.00 179.45 177.76 1rjv s LYS 39 N -3.19 2.22 0.62 0.07 -0.14 -0.27 -5.08 119.74 113.98 1rjv s LYS 39 Ca 0.05 -0.44 -0.17 0.00 -1.36 0.00 0.00 55.97 54.05 1rjv s LYS 39 Cb 0.13 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1rjv s LYS 39 CO 0.74 -1.14 1.15 -1.12 -0.76 0.00 0.00 175.35 174.22 1rjv s SER 40 N -4.51 5.17 0.25 2.83 0.01 -1.26 -4.86 113.70 111.32 1rjv s SER 40 Ca 0.60 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 60.01 1rjv s SER 40 Cb -0.10 -2.58 0.38 0.00 0.21 0.00 0.00 66.02 63.93 1rjv s SER 40 CO 0.43 -1.60 1.85 0.00 0.41 0.00 0.00 173.24 174.33 1rjv h ALA 41 N 0.50 1.25 0.00 1.44 0.00 -1.94 0.59 119.26 121.09 1rjv h ALA 41 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1rjv h ALA 41 Cb 1.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1rjv h ALA 41 CO 0.54 0.27 0.00 -0.44 0.00 0.00 0.00 179.25 179.63 1rjv h ASP 42 N 0.98 0.00 0.08 0.00 3.32 -2.01 -2.60 116.42 116.19 1rjv h ASP 42 Ca 0.40 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.27 1rjv h ASP 42 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rjv h ASP 42 CO -0.19 0.00 -0.88 -0.78 -1.72 0.00 0.00 179.24 175.67 1rjv h ASP 43 N 0.00 0.28 -0.14 6.45 3.58 -1.29 -3.36 116.42 121.93 1rjv h ASP 43 Ca 0.00 -0.88 0.04 0.00 0.42 0.00 0.00 57.03 56.61 1rjv h ASP 43 Cb 0.25 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1rjv h ASP 43 CO 0.00 1.39 0.20 1.62 -2.88 0.00 0.00 179.24 179.57 1rjv h VAL 44 N -0.57 0.35 -0.22 2.25 3.04 -0.86 0.33 116.25 120.58 1rjv h VAL 44 Ca -0.19 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 1rjv h VAL 44 Cb 1.50 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 31.58 1rjv h VAL 44 CO 0.04 0.00 -0.00 0.11 -1.01 0.00 0.00 177.57 176.71 1rjv h LYS 45 N 0.00 0.06 0.00 4.17 1.57 -1.63 -1.89 116.57 118.85 1rjv h LYS 45 Ca 0.07 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1rjv h LYS 45 Cb 0.46 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1rjv h LYS 45 CO -0.00 0.04 -0.31 0.87 -0.57 0.00 0.00 179.45 179.48 1rjv h LYS 46 N 0.07 0.00 0.34 3.15 6.56 -0.54 -2.77 116.57 123.39 1rjv h LYS 46 Ca 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1rjv h LYS 46 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1rjv h LYS 46 CO -0.17 0.31 -0.16 0.28 -2.06 0.00 0.00 179.45 177.64 1rjv h VAL 47 N 0.00 0.00 -0.81 0.50 2.07 -1.13 0.19 116.25 117.07 1rjv h VAL 47 Ca -0.00 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1rjv h VAL 47 Cb 0.65 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 1rjv h VAL 47 CO 0.04 0.00 -0.30 0.15 0.02 0.00 0.00 177.57 177.48 1rjv h PHE 48 N -0.57 -0.79 -0.37 1.57 3.57 -1.41 -0.30 116.94 118.64 1rjv h PHE 48 Ca -0.05 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1rjv h PHE 48 Cb 0.35 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1rjv h PHE 48 CO 0.10 -0.38 0.29 1.25 -2.23 0.00 0.00 178.31 177.33 1rjv h HIS 49 N -0.05 0.00 0.00 0.41 2.76 -1.57 -1.28 115.15 115.42 1rjv h HIS 49 Ca 0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1rjv h HIS 49 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1rjv h HIS 49 CO -0.72 0.00 0.00 1.98 -1.30 0.00 0.00 177.93 177.89 1rjv h MET 50 N 0.00 0.00 0.05 5.26 1.85 -0.80 -3.18 114.93 118.10 1rjv h MET 50 Ca 0.18 0.00 -0.37 0.00 -0.61 0.00 0.00 59.70 58.90 1rjv h MET 50 Cb 0.76 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.74 1rjv h MET 50 CO -0.00 0.00 -2.20 1.28 -0.40 0.00 0.00 176.91 175.59 1rjv n LEU 51 N -2.67 2.22 -2.31 3.39 4.77 -0.50 -4.26 117.00 117.63 1rjv n LEU 51 Ca 0.01 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1rjv n LEU 51 Cb 0.26 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1rjv n LEU 51 CO 0.23 0.79 0.72 -0.67 -1.33 0.00 0.00 177.39 177.13 1rjv n ASP 52 N -3.25 1.34 0.23 -1.43 2.03 -1.12 -4.68 116.55 109.67 1rjv n ASP 52 Ca -0.36 -1.70 0.16 0.00 0.52 0.00 0.00 54.79 53.41 1rjv n ASP 52 Cb 1.04 -0.35 0.76 0.00 -0.72 0.00 0.00 41.12 41.84 1rjv n ASP 52 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1rjv h LYS 53 N 5.00 0.00 -0.00 -0.67 2.10 -1.81 -0.13 116.57 121.07 1rjv h LYS 53 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1rjv h LYS 53 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1rjv h LYS 53 CO 0.38 0.00 -0.21 -0.40 -2.00 0.00 0.00 179.45 177.22 1rjv n ASP 54 N -2.67 0.35 -3.08 7.07 5.75 -1.26 -5.02 116.55 117.69 1rjv n ASP 54 Ca -0.00 -0.13 -0.16 0.00 -0.01 0.00 0.00 54.79 54.48 1rjv n ASP 54 Cb 0.16 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.30 -2.13 0.00 0.11 4.76 -0.06 -5.02 118.16 114.52 1rjv n LYS 55 Ca 0.09 1.83 0.00 0.00 -2.87 0.00 0.00 58.31 57.36 1rjv n LYS 55 Cb 0.32 -4.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.89 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 -0.52 0.04 0.00 4.39 3.41 -1.26 -5.05 113.62 114.64 1rjv n SER 56 Ca 0.04 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1rjv n SER 56 Cb 0.53 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.30 0.49 3.43 5.00 0.00 -1.26 -5.04 105.19 108.11 1rjv n GLY 57 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.17 1.61 0.08 -1.26 -4.94 117.98 110.39 1rjv s PHE 58 Ca 0.00 1.75 -0.20 0.00 0.12 0.00 0.00 56.93 58.60 1rjv s PHE 58 Cb 0.00 0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 42.89 1rjv s PHE 58 CO 0.00 -0.49 0.57 0.42 -0.10 0.00 0.00 175.22 175.63 1rjv s ILE 59 N 2.06 5.08 0.32 0.64 1.01 -0.98 -4.92 121.20 124.41 1rjv s ILE 59 Ca -0.07 1.09 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1rjv s ILE 59 Cb -0.09 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1rjv s ILE 59 CO -0.16 0.18 0.16 -1.83 0.00 0.00 0.00 174.94 173.30 1rjv s GLU 60 N 1.50 1.67 0.35 2.79 -1.05 -1.26 -1.10 118.70 121.60 1rjv s GLU 60 Ca 0.27 -1.96 0.13 0.00 -0.15 0.00 0.00 54.97 53.26 1rjv s GLU 60 Cb -0.16 -0.18 0.98 0.00 -0.44 0.00 0.00 34.13 34.33 1rjv s GLU 60 CO 0.11 -0.46 1.75 1.05 0.95 0.00 0.00 175.26 178.66 1rjv h GLU 61 N 2.13 0.49 -0.30 -4.83 -0.00 -1.96 -0.54 114.58 109.57 1rjv h GLU 61 Ca -0.33 -0.03 0.07 0.00 -0.00 0.00 0.00 59.36 59.06 1rjv h GLU 61 Cb 1.25 -0.11 -0.07 0.00 -0.00 0.00 0.00 28.75 29.82 1rjv h GLU 61 CO 0.52 0.33 -0.16 0.22 -0.00 0.00 0.00 179.01 179.91 1rjv h ASP 62 N 0.51 -0.54 -0.03 3.06 3.58 -2.01 -2.44 116.42 118.55 1rjv h ASP 62 Ca 0.62 0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.99 1rjv h ASP 62 Cb 1.34 0.29 0.01 0.00 1.72 0.00 0.00 39.33 42.69 1rjv h ASP 62 CO -0.39 -0.20 -0.76 -0.33 -2.88 0.00 0.00 179.24 174.69 1rjv h GLU 63 N -0.12 0.56 -1.04 0.28 5.08 -1.54 -3.36 114.58 114.44 1rjv h GLU 63 Ca 0.16 -0.57 0.26 0.00 -1.00 0.00 0.00 59.36 58.21 1rjv h GLU 63 Cb 0.36 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1rjv h GLU 63 CO -0.38 1.19 0.66 1.25 -1.00 0.00 0.00 179.01 180.73 1rjv h LEU 64 N 0.15 0.48 -1.34 1.33 5.85 -0.74 0.36 115.31 121.41 1rjv h LEU 64 Ca -0.09 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1rjv h LEU 64 Cb 1.43 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1rjv h LEU 64 CO 0.15 0.09 0.57 1.23 -0.34 0.00 0.00 178.44 180.14 1rjv h GLY 65 N 0.42 1.12 -5.25 3.75 0.00 -1.60 -3.33 103.07 98.18 1rjv h GLY 65 Ca 0.60 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 47.44 1rjv h GLY 65 CO -0.32 0.06 -0.83 1.97 0.00 0.00 0.00 176.54 177.42 1rjv n PHE 66 N -4.56 0.06 -0.33 5.60 -1.74 0.77 -0.31 117.46 116.95 1rjv n PHE 66 Ca 0.18 -2.04 0.14 0.00 -0.56 0.00 0.00 57.45 55.17 1rjv n PHE 66 Cb 0.52 0.40 0.36 0.00 1.52 0.00 0.00 39.48 42.28 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 4.80 0.72 -0.36 1.97 -0.00 -0.58 -2.49 117.51 121.57 1rjv h ILE 67 Ca -0.24 -0.24 0.10 0.00 -0.00 0.00 0.00 64.86 64.48 1rjv h ILE 67 Cb 1.27 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.03 1rjv h ILE 67 CO 0.07 0.13 0.30 -0.07 -0.00 0.00 0.00 178.15 178.58 1rjv h LEU 68 N 0.71 0.00 -1.13 2.19 3.38 -1.86 -1.28 115.31 117.32 1rjv h LEU 68 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1rjv h LEU 68 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rjv h LEU 68 CO -0.33 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.49 1rjv n LYS 69 N -4.11 0.13 0.06 1.13 4.76 -0.94 -0.63 118.16 118.57 1rjv n LYS 69 Ca 0.06 0.58 -0.01 0.00 -2.87 0.00 0.00 58.31 56.06 1rjv n LYS 69 Cb 0.48 -1.89 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1rjv h GLY 70 N 0.49 0.00 1.60 0.72 0.00 -1.41 -3.35 103.07 101.12 1rjv h GLY 70 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1rjv h GLY 70 CO 0.00 0.00 -0.78 0.74 0.00 0.00 0.00 176.54 176.50 1rjv h PHE 71 N 0.00 0.53 0.00 5.60 0.04 -1.01 -3.44 116.94 118.66 1rjv h PHE 71 Ca -0.12 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1rjv h PHE 71 Cb 1.60 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.67 1rjv h PHE 71 CO 0.00 1.02 0.00 0.43 -0.60 0.00 0.00 178.31 179.16 1rjv n SER 72 N -3.80 0.00 -4.63 2.17 7.64 -0.80 -4.77 113.62 109.42 1rjv n SER 72 Ca -0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.54 1rjv n SER 72 Cb 0.74 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 64.12 1rjv n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rjv s PRO 73 N -2.00 0.43 0.00 1.43 0.04 -1.26 -3.79 135.00 129.85 1rjv s PRO 73 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1rjv s PRO 73 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1rjv s PRO 73 CO 0.00 -2.85 0.00 -3.47 0.04 0.00 0.00 177.00 170.72 1rjv n ASP 74 N -4.32 -3.82 0.00 6.66 2.03 -1.26 -4.89 116.55 110.95 1rjv n ASP 74 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1rjv n ASP 74 Cb 0.54 -2.80 0.00 0.00 -0.72 0.00 0.00 41.12 38.14 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rjv n ALA 75 N 0.88 0.00 -1.11 -1.67 0.00 -1.25 -4.98 120.51 112.39 1rjv n ALA 75 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1rjv n ALA 75 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1rjv n ALA 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rjv n ARG 76 N -1.30 -1.89 -3.04 0.00 1.74 -1.26 -4.74 116.66 106.16 1rjv n ARG 76 Ca 0.00 1.25 -0.40 0.00 -0.77 0.00 0.00 57.85 57.92 1rjv n ARG 76 Cb 0.00 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 29.08 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 -5.76 6.78 0.98 0.55 1.01 -1.26 -4.61 116.67 114.36 1rjv s ASP 77 Ca 0.00 0.96 -0.11 0.00 0.71 0.00 0.00 52.55 54.11 1rjv s ASP 77 Cb 0.00 -2.38 0.18 0.00 1.01 0.00 0.00 42.92 41.73 1rjv s ASP 77 CO 0.00 -0.31 1.11 -0.76 0.21 0.00 0.00 175.17 175.42 1rjv s LEU 78 N 1.93 2.26 0.59 1.23 1.43 0.57 -4.99 118.68 121.70 1rjv s LEU 78 Ca 0.32 1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 1rjv s LEU 78 Cb -0.16 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1rjv s LEU 78 CO 0.11 -3.35 1.11 -0.55 0.23 0.00 0.00 176.35 173.91 1rjv s SER 79 N -2.70 5.52 0.39 2.29 0.15 -1.26 -4.89 113.70 113.20 1rjv s SER 79 Ca 0.67 2.08 0.06 0.00 0.70 0.00 0.00 55.95 59.45 1rjv s SER 79 Cb -0.23 -2.57 0.78 0.00 -1.71 0.00 0.00 66.02 62.29 1rjv s SER 79 CO 0.60 -1.35 2.03 0.00 1.20 0.00 0.00 173.24 175.71 1rjv h ALA 80 N 0.73 1.67 -0.65 5.45 0.00 -1.98 0.24 119.26 124.71 1rjv h ALA 80 Ca -0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1rjv h ALA 80 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1rjv h ALA 80 CO 0.56 0.29 0.26 0.87 0.00 0.00 0.00 179.25 181.23 1rjv h LYS 81 N 0.67 0.98 0.50 0.00 1.79 -1.99 -0.56 116.57 117.96 1rjv h LYS 81 Ca 0.20 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1rjv h LYS 81 Cb -0.02 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 1rjv h LYS 81 CO -0.05 0.82 -0.24 1.49 -1.08 0.00 0.00 179.45 180.39 1rjv h GLU 82 N 0.92 -0.64 -0.58 3.15 4.81 -1.66 -0.18 114.58 120.41 1rjv h GLU 82 Ca 0.22 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1rjv h GLU 82 Cb 0.21 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 29.63 1rjv h GLU 82 CO -0.02 -0.38 -0.10 1.15 -0.73 0.00 0.00 179.01 178.93 1rjv h THR 83 N -0.77 0.46 0.18 0.32 2.02 -0.96 0.33 112.91 114.48 1rjv h THR 83 Ca -0.07 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1rjv h THR 83 Cb 0.56 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1rjv h THR 83 CO 0.11 0.01 -0.34 0.50 0.37 0.00 0.00 175.52 176.17 1rjv h LYS 84 N 0.04 -0.59 -0.48 6.66 3.64 -0.77 -0.14 116.57 124.94 1rjv h LYS 84 Ca 0.29 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1rjv h LYS 84 Cb 0.45 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1rjv h LYS 84 CO -0.56 -0.39 -0.23 1.98 -2.27 0.00 0.00 179.45 177.98 1rjv h MET 85 N -0.61 0.99 -0.22 1.90 4.05 -0.65 -3.17 114.93 117.23 1rjv h MET 85 Ca 0.02 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1rjv h MET 85 Cb 0.61 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1rjv h MET 85 CO -0.17 1.11 0.15 1.25 0.23 0.00 0.00 176.91 179.48 1rjv h LEU 86 N 0.85 0.26 -0.49 3.39 5.85 -0.24 0.30 115.31 125.23 1rjv h LEU 86 Ca 0.11 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1rjv h LEU 86 Cb 0.81 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1rjv h LEU 86 CO 0.07 0.19 0.09 -0.03 -0.34 0.00 0.00 178.44 178.42 1rjv h MET 87 N 0.30 0.22 0.37 1.25 4.05 -1.06 0.82 114.93 120.88 1rjv h MET 87 Ca 0.08 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1rjv h MET 87 Cb -0.03 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1rjv h MET 87 CO -0.02 0.14 -0.18 0.00 0.23 0.00 0.00 176.91 177.09 1rjv h ALA 88 N 1.38 -0.49 0.00 0.39 0.00 -1.48 -3.22 119.26 115.84 1rjv h ALA 88 Ca 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1rjv h ALA 88 Cb 0.33 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rjv h ALA 88 CO -0.32 -0.50 -0.31 0.00 0.00 0.00 0.00 179.25 178.12 1rjv h ALA 89 N -0.82 0.96 0.00 0.00 0.00 -0.35 -3.19 119.26 115.87 1rjv h ALA 89 Ca -0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1rjv h ALA 89 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rjv h ALA 89 CO 0.08 0.38 -0.22 0.78 0.00 0.00 0.00 179.25 180.28 1rjv h GLY 90 N 2.32 0.16 -5.27 0.00 0.00 -1.00 -3.36 103.07 95.91 1rjv h GLY 90 Ca -0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 47.33 46.72 1rjv h GLY 90 CO 0.04 0.25 2.10 1.34 0.00 0.00 0.00 176.54 180.27 1rjv n ASP 91 N -4.53 4.46 0.21 0.19 2.03 -1.20 -4.65 116.55 113.05 1rjv n ASP 91 Ca -0.10 -2.26 0.14 0.00 0.52 0.00 0.00 54.79 53.09 1rjv n ASP 91 Cb 0.50 -1.02 0.74 0.00 -0.72 0.00 0.00 41.12 40.61 1rjv n ASP 91 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1rjv h LYS 92 N 5.99 0.00 0.00 -0.67 1.79 -1.74 -1.70 116.57 120.24 1rjv h LYS 92 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1rjv h LYS 92 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1rjv h LYS 92 CO 1.23 0.00 -0.44 0.22 -1.08 0.00 0.00 179.45 179.38 1rjv h ASP 93 N 0.00 0.00 -0.29 0.86 3.58 -1.92 -3.49 116.42 115.16 1rjv h ASP 93 Ca 0.00 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.29 1rjv h ASP 93 Cb 0.01 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1rjv h ASP 93 CO 0.00 0.04 -0.07 0.61 -2.88 0.00 0.00 179.24 176.94 1rjv n GLY 94 N 1.26 0.49 1.03 -0.78 0.00 -0.64 -4.95 105.19 101.60 1rjv n GLY 94 Ca 0.03 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 1.40 3.16 0.00 1.61 5.75 -1.26 -4.99 116.55 122.23 1rjv n ASP 95 Ca -0.04 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1rjv n ASP 95 Cb 0.27 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.40 0.53 3.15 6.12 0.00 -1.26 -5.03 105.19 110.09 1rjv n GLY 96 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.00 0.76 0.03 1.61 3.01 -1.26 -4.87 119.74 119.02 1rjv s LYS 97 Ca 0.00 -1.16 -0.30 0.00 -1.01 0.00 0.00 55.97 53.50 1rjv s LYS 97 Cb 0.00 -0.30 -0.04 0.00 -1.01 0.00 0.00 37.83 36.48 1rjv s LYS 97 CO 0.00 0.02 1.10 0.42 0.51 0.00 0.00 175.35 177.40 1rjv s ILE 98 N -2.82 4.43 0.01 2.17 1.01 -0.26 -4.41 121.20 121.33 1rjv s ILE 98 Ca 0.05 1.75 0.06 0.00 0.00 0.00 0.00 60.65 62.51 1rjv s ILE 98 Cb -0.00 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1rjv s ILE 98 CO -0.02 0.13 -0.16 -0.83 0.00 0.00 0.00 174.94 174.05 1rjv s GLY 99 N 1.04 1.56 0.24 6.18 0.00 -1.26 -2.32 107.32 112.76 1rjv s GLY 99 Ca 0.55 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.10 1rjv s GLY 99 CO 0.28 -0.97 1.68 -0.24 0.00 0.00 0.00 173.10 173.85 1rjv h VAL 100 N 4.06 0.50 -0.88 1.40 3.04 -1.94 0.13 116.25 122.57 1rjv h VAL 100 Ca -0.47 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1rjv h VAL 100 Cb 1.15 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.64 1rjv h VAL 100 CO 0.49 0.04 0.49 -0.78 -1.01 0.00 0.00 177.57 176.81 1rjv h ASP 101 N 0.24 1.08 0.89 3.17 3.58 -1.97 0.13 116.42 123.53 1rjv h ASP 101 Ca 0.40 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.72 1rjv h ASP 101 Cb 0.68 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1rjv h ASP 101 CO -0.52 0.86 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.95 1rjv h GLU 102 N 1.22 -1.15 0.00 0.28 5.08 -1.79 -3.28 114.58 114.94 1rjv h GLU 102 Ca 0.31 0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1rjv h GLU 102 Cb 0.01 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1rjv h GLU 102 CO -0.05 -0.76 -0.09 0.35 -1.00 0.00 0.00 179.01 177.45 1rjv h PHE 103 N -1.30 0.00 -0.22 4.33 3.57 -0.32 0.36 116.94 123.37 1rjv h PHE 103 Ca -0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1rjv h PHE 103 Cb 0.92 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1rjv h PHE 103 CO -0.00 0.09 0.10 1.03 -2.23 0.00 0.00 178.31 177.30 1rjv h SER 104 N 0.00 0.26 0.00 0.41 0.87 -0.87 -3.38 113.55 110.84 1rjv h SER 104 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1rjv h SER 104 Cb 0.19 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1rjv h SER 104 CO 0.01 0.23 -0.92 0.35 -0.53 0.00 0.00 176.83 175.97 1rjv n THR 105 N -4.46 0.00 -0.40 2.23 -2.24 0.46 -4.26 114.28 105.61 1rjv n THR 105 Ca 0.00 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.16 1rjv n THR 105 Cb 0.11 0.26 0.73 0.00 -2.10 0.00 0.00 70.33 69.34 1rjv n THR 105 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1rjv h LEU 106 N 0.00 0.06 0.00 3.22 -0.00 -0.61 -0.48 115.31 117.50 1rjv h LEU 106 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1rjv h LEU 106 Cb 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1rjv h LEU 106 CO 0.00 -0.00 -1.44 1.33 -0.00 0.00 0.00 178.44 178.33 1rjv n VAL 107 N -4.22 0.04 0.25 1.22 0.24 -1.26 -3.61 118.33 110.99 1rjv n VAL 107 Ca 0.30 -0.27 0.14 0.00 -2.04 0.00 0.00 64.34 62.47 1rjv n VAL 107 Cb 1.36 0.40 0.49 0.00 -1.47 0.00 0.00 33.84 34.63 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 2.47 0.99 0.00 2.33 0.00 -1.28 -1.59 119.26 122.18 1rjv h ALA 108 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rjv h ALA 108 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rjv h ALA 108 CO 0.00 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.72 1rjv n GLU 109 N -3.16 0.10 0.00 0.00 1.02 -0.97 -5.12 120.64 112.51 1rjv n GLU 109 Ca 0.01 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1rjv n GLU 109 Cb 0.40 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1rjv n GLU 109 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18