#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 2.98 -0.98 6.12 1.04 -1.26 -5.07 113.70 116.53 1rjv s SER 2 Ca 0.00 -2.19 -0.20 0.00 0.48 0.00 0.00 55.95 54.04 1rjv s SER 2 Cb 0.00 -0.41 -0.10 0.00 0.10 0.00 0.00 66.02 65.61 1rjv s SER 2 CO 0.00 -0.31 1.98 0.80 0.98 0.00 0.00 173.24 176.69 1rjv n MET 3 N 4.04 1.87 0.00 4.02 0.00 -1.26 -2.27 117.12 123.52 1rjv n MET 3 Ca 0.12 -2.13 0.00 0.00 0.00 0.00 0.00 57.70 55.69 1rjv n MET 3 Cb 0.37 -3.11 0.00 0.00 0.00 0.00 0.00 33.22 30.48 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 6.02 0.00 -0.00 1.12 -1.04 -1.26 -4.80 114.28 114.31 1rjv n THR 4 Ca 0.50 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 62.29 1rjv n THR 4 Cb 0.41 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.78 1rjv n THR 4 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1rjv h ASP 5 N 0.00 0.35 0.52 8.00 3.58 -1.84 -2.76 116.42 124.27 1rjv h ASP 5 Ca 0.00 -0.83 -0.03 0.00 0.42 0.00 0.00 57.03 56.59 1rjv h ASP 5 Cb 0.00 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 40.94 1rjv h ASP 5 CO 0.00 1.64 -0.25 -0.07 -2.88 0.00 0.00 179.24 177.68 1rjv h LEU 6 N -0.32 -0.59 0.00 2.28 -0.00 -1.94 -3.41 115.31 111.32 1rjv h LEU 6 Ca -0.32 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1rjv h LEU 6 Cb 1.75 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.56 1rjv h LEU 6 CO 0.04 -0.29 0.00 0.18 -0.00 0.00 0.00 178.44 178.36 1rjv n LEU 7 N -4.62 0.86 0.00 1.67 4.77 -1.26 -5.06 117.00 113.35 1rjv n LEU 7 Ca -0.09 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rjv n LEU 7 Cb 0.28 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1rjv n LEU 7 CO 0.21 -0.19 0.00 0.59 -1.33 0.00 0.00 177.39 176.67 1rjv n ASN 8 N -1.08 0.00 -0.31 -1.43 3.02 -1.06 -4.98 115.26 109.42 1rjv n ASN 8 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1rjv n ASN 8 Cb 0.00 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.43 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 1.40 -0.43 5.41 0.00 -1.83 -0.15 119.26 123.66 1rjv h ALA 9 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1rjv h ALA 9 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rjv h ALA 9 CO 0.00 -0.14 0.06 0.93 0.00 0.00 0.00 179.25 180.10 1rjv h GLU 10 N 0.60 0.72 -0.18 0.00 3.07 -1.97 0.79 114.58 117.61 1rjv h GLU 10 Ca 0.51 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 1rjv h GLU 10 Cb 0.80 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1rjv h GLU 10 CO -0.41 0.76 0.03 -0.44 -1.40 0.00 0.00 179.01 177.56 1rjv h ASP 11 N 0.58 0.28 -0.76 1.42 3.32 -1.74 -2.81 116.42 116.72 1rjv h ASP 11 Ca 0.13 -0.25 0.16 0.00 0.02 0.00 0.00 57.03 57.09 1rjv h ASP 11 Cb 0.39 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.76 1rjv h ASP 11 CO 0.01 0.46 0.24 0.40 -1.72 0.00 0.00 179.24 178.63 1rjv h ILE 12 N 0.10 0.55 -0.07 0.35 5.03 -0.81 0.49 117.51 123.14 1rjv h ILE 12 Ca 0.06 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.71 1rjv h ILE 12 Cb 0.29 0.19 -0.03 0.00 -3.03 0.00 0.00 36.82 34.24 1rjv h ILE 12 CO 0.00 0.06 -0.10 0.50 -0.68 0.00 0.00 178.15 177.93 1rjv h LYS 13 N 0.33 -0.14 0.00 2.37 1.63 -0.69 0.51 116.57 120.58 1rjv h LYS 13 Ca 0.43 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.17 1rjv h LYS 13 Cb 0.72 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1rjv h LYS 13 CO -0.48 -0.09 -0.34 0.87 -3.45 0.00 0.00 179.45 175.96 1rjv h LYS 14 N -0.14 0.00 0.60 1.90 1.57 -1.15 -2.03 116.57 117.31 1rjv h LYS 14 Ca 0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1rjv h LYS 14 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1rjv h LYS 14 CO -0.16 0.34 -0.29 0.00 -0.57 0.00 0.00 179.45 178.78 1rjv h ALA 15 N 1.66 -0.80 -0.61 3.86 0.00 -0.39 -2.91 119.26 120.06 1rjv h ALA 15 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1rjv h ALA 15 Cb 0.67 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1rjv h ALA 15 CO 0.04 -0.77 0.41 0.28 0.00 0.00 0.00 179.25 179.21 1rjv h VAL 16 N -1.16 1.13 0.00 0.00 2.07 -0.94 0.39 116.25 117.74 1rjv h VAL 16 Ca -0.08 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rjv h VAL 16 Cb 0.65 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1rjv h VAL 16 CO 0.13 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1rjv n GLY 17 N -1.45 -0.60 0.13 2.17 0.00 -0.77 -0.56 105.19 104.12 1rjv n GLY 17 Ca 0.07 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1rjv n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjv n ALA 18 N -1.41 1.19 0.40 4.61 0.00 0.10 -4.57 120.51 120.83 1rjv n ALA 18 Ca 0.02 -1.00 0.12 0.00 0.00 0.00 0.00 53.44 52.59 1rjv n ALA 18 Cb 0.06 -0.07 0.26 0.00 0.00 0.00 0.00 19.45 19.69 1rjv n ALA 18 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1rjv h PHE 19 N -0.64 0.00 -0.21 0.00 0.04 -1.26 -3.43 116.94 111.43 1rjv h PHE 19 Ca -0.61 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.78 1rjv h PHE 19 Cb 1.69 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.86 1rjv h PHE 19 CO -0.02 0.00 1.21 0.43 -0.60 0.00 0.00 178.31 179.33 1rjv n SER 20 N -2.69 2.32 -2.74 2.17 7.64 0.27 -4.77 113.62 115.81 1rjv n SER 20 Ca 0.04 -2.63 -0.12 0.00 1.01 0.00 0.00 58.87 57.17 1rjv n SER 20 Cb 0.49 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 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 13.08 -0.40 0.02 -0.43 0.00 -1.26 -5.00 120.51 126.51 1rjv n ALA 21 Ca 0.46 -1.40 -0.01 0.00 0.00 0.00 0.00 53.44 52.48 1rjv n ALA 21 Cb 0.44 1.13 -0.00 0.00 0.00 0.00 0.00 19.45 21.02 1rjv n ALA 21 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rjv h THR 22 N 1.89 0.00 -0.00 0.00 1.35 -1.96 -3.44 112.91 110.76 1rjv h THR 22 Ca -0.24 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1rjv h THR 22 Cb 1.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1rjv h THR 22 CO 0.33 0.00 -0.01 0.47 -0.25 0.00 0.00 175.52 176.06 1rjv n ASP 23 N -2.38 0.80 -3.07 5.36 9.92 -1.26 -0.98 116.55 124.94 1rjv n ASP 23 Ca -0.01 -0.90 -0.34 0.00 -0.53 0.00 0.00 54.79 53.01 1rjv n ASP 23 Cb 0.03 0.25 -0.04 0.00 -0.64 0.00 0.00 41.12 40.72 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1rjv n SER 24 N -0.23 7.51 -4.60 -2.24 2.88 -1.26 -4.62 113.62 111.05 1rjv n SER 24 Ca 0.00 -3.03 -0.43 0.00 -1.33 0.00 0.00 58.87 54.08 1rjv n SER 24 Cb 0.02 -1.36 -0.02 0.00 -0.75 0.00 0.00 64.21 62.10 1rjv n SER 24 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1rjv s PHE 25 N -0.70 2.46 -0.69 0.66 5.36 -1.26 -4.73 117.98 119.08 1rjv s PHE 25 Ca 0.59 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 57.31 1rjv s PHE 25 Cb 0.25 -4.26 0.25 0.00 -0.34 0.00 0.00 43.02 38.92 1rjv s PHE 25 CO -0.12 -1.91 0.80 -3.47 -1.46 0.00 0.00 175.22 169.06 1rjv n ASP 26 N 8.59 3.99 0.15 6.13 -0.08 -1.26 -4.96 116.55 129.11 1rjv n ASP 26 Ca 0.16 -3.43 -0.14 0.00 -1.51 0.00 0.00 54.79 49.87 1rjv n ASP 26 Cb 0.48 -0.74 -0.07 0.00 2.34 0.00 0.00 41.12 43.13 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 4.40 -0.86 -0.57 -0.67 2.07 -1.98 0.16 115.15 117.70 1rjv h HIS 27 Ca 0.20 0.01 0.11 0.00 -2.85 0.00 0.00 60.37 57.84 1rjv h HIS 27 Cb 0.66 0.35 -0.11 0.00 2.57 0.00 0.00 27.41 30.88 1rjv h HIS 27 CO 0.75 -0.44 -0.28 -0.22 -3.07 0.00 0.00 177.93 174.67 1rjv h LYS 28 N -0.59 -0.13 -0.05 5.12 3.11 -1.90 0.14 116.57 122.27 1rjv h LYS 28 Ca 0.01 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1rjv h LYS 28 Cb 0.58 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1rjv h LYS 28 CO -0.13 -0.08 -0.02 -0.22 -2.81 0.00 0.00 179.45 176.18 1rjv h LYS 29 N -0.13 0.11 -0.31 1.90 3.64 -1.76 -2.55 116.57 117.46 1rjv h LYS 29 Ca 0.24 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1rjv h LYS 29 Cb 0.53 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 1rjv h LYS 29 CO -0.65 0.49 -0.39 0.35 -2.27 0.00 0.00 179.45 176.98 1rjv h PHE 30 N -0.27 -1.12 -0.02 1.91 3.04 -0.54 0.13 116.94 120.06 1rjv h PHE 30 Ca 0.01 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1rjv h PHE 30 Cb 0.45 0.54 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 1rjv h PHE 30 CO 0.07 -0.43 0.02 0.74 -2.02 0.00 0.00 178.31 176.68 1rjv h PHE 31 N -0.36 0.00 0.06 0.41 -1.00 -0.65 0.24 116.94 115.65 1rjv h PHE 31 Ca 0.13 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.77 1rjv h PHE 31 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1rjv h PHE 31 CO -0.55 0.00 -0.66 1.96 -1.61 0.00 0.00 178.31 177.45 1rjv h GLN 32 N 0.00 0.14 -0.43 1.51 4.20 -0.97 0.86 115.11 120.42 1rjv h GLN 32 Ca 0.01 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.40 1rjv h GLN 32 Cb 0.04 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1rjv h GLN 32 CO -0.00 1.11 -0.08 0.52 -0.67 0.00 0.00 178.83 179.71 1rjv h MET 33 N -0.69 0.75 0.00 1.46 2.86 0.06 -0.29 114.93 119.09 1rjv h MET 33 Ca -0.14 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1rjv h MET 33 Cb 1.37 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1rjv h MET 33 CO 0.03 0.82 0.00 1.55 1.06 0.00 0.00 176.91 180.37 1rjv n VAL 34 N -4.18 0.36 -1.86 -2.22 3.14 0.75 -4.46 118.33 109.86 1rjv n VAL 34 Ca 0.02 0.09 -0.20 0.00 -2.96 0.00 0.00 64.34 61.29 1rjv n VAL 34 Cb 0.34 -0.68 -0.06 0.00 -1.06 0.00 0.00 33.84 32.38 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 0.95 1.11 0.41 7.55 0.00 -0.12 -4.63 105.19 110.46 1rjv n GLY 35 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.19 -1.12 0.99 3.38 -1.08 0.13 115.31 116.42 1rjv h LEU 36 Ca -0.43 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1rjv h LEU 36 Cb 1.32 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1rjv h LEU 36 CO 0.59 -0.49 0.39 0.11 0.09 0.00 0.00 178.44 179.12 1rjv h LYS 37 N -0.67 0.00 0.00 1.13 1.57 -1.90 0.59 116.57 117.28 1rjv h LYS 37 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rjv h LYS 37 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1rjv h LYS 37 CO -0.21 0.00 -0.63 1.57 -0.57 0.00 0.00 179.45 179.61 1rjv h LYS 38 N 0.00 0.00 -7.19 3.15 2.10 -1.03 -3.47 116.57 110.13 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 0.77 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.17 1rjv h LYS 38 CO 0.00 0.00 0.20 0.15 -2.00 0.00 0.00 179.45 177.80 1rjv s LYS 39 N -3.17 2.63 0.71 0.07 -0.14 0.20 -5.09 119.74 114.95 1rjv s LYS 39 Ca 0.06 -0.11 -0.13 0.00 -1.36 0.00 0.00 55.97 54.43 1rjv s LYS 39 Cb 0.13 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1rjv s LYS 39 CO 0.72 -0.91 1.09 -1.12 -0.76 0.00 0.00 175.35 174.37 1rjv s SER 40 N -4.39 4.91 0.29 2.83 0.01 -1.26 -4.89 113.70 111.20 1rjv s SER 40 Ca 0.56 1.88 -0.00 0.00 1.31 0.00 0.00 55.95 59.70 1rjv s SER 40 Cb -0.11 -2.53 0.50 0.00 0.21 0.00 0.00 66.02 64.09 1rjv s SER 40 CO 0.45 -1.76 1.89 0.00 0.41 0.00 0.00 173.24 174.23 1rjv h ALA 41 N -0.52 1.49 0.00 1.44 0.00 -1.98 -1.11 119.26 118.58 1rjv h ALA 41 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1rjv h ALA 41 Cb 1.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rjv h ALA 41 CO 0.53 0.36 -0.32 0.22 0.00 0.00 0.00 179.25 180.04 1rjv h ASP 42 N 1.07 0.00 0.39 0.00 3.58 -2.01 -2.11 116.42 117.35 1rjv h ASP 42 Ca 0.42 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.85 1rjv h ASP 42 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1rjv h ASP 42 CO -0.17 0.32 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.55 1rjv h ASP 43 N 0.00 -0.45 -1.06 2.28 1.82 -1.60 -3.06 116.42 114.36 1rjv h ASP 43 Ca -0.00 -0.04 0.29 0.00 -0.39 0.00 0.00 57.03 56.89 1rjv h ASP 43 Cb 0.59 0.12 -0.12 0.00 0.68 0.00 0.00 39.33 40.60 1rjv h ASP 43 CO 0.04 -0.25 0.65 0.58 -1.61 0.00 0.00 179.24 178.65 1rjv h VAL 44 N -0.62 0.43 0.12 2.25 2.07 -0.93 0.17 116.25 119.73 1rjv h VAL 44 Ca -0.05 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1rjv h VAL 44 Cb 0.46 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1rjv h VAL 44 CO 0.09 0.07 -0.38 0.11 0.02 0.00 0.00 177.57 177.48 1rjv h LYS 45 N 0.39 -0.59 0.00 1.57 1.57 -1.29 -2.44 116.57 115.78 1rjv h LYS 45 Ca 0.67 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.45 1rjv h LYS 45 Cb 1.60 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 1rjv h LYS 45 CO -0.43 -0.40 -0.21 0.87 -0.57 0.00 0.00 179.45 178.71 1rjv h LYS 46 N -0.62 0.00 0.27 3.15 6.56 -0.76 -2.98 116.57 122.20 1rjv h LYS 46 Ca 0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1rjv h LYS 46 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1rjv h LYS 46 CO -0.22 0.21 -0.14 0.28 -2.06 0.00 0.00 179.45 177.51 1rjv h VAL 47 N 0.00 0.00 -1.01 0.50 2.07 -0.68 -3.23 116.25 113.91 1rjv h VAL 47 Ca -0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1rjv h VAL 47 Cb 0.60 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1rjv h VAL 47 CO 0.03 0.00 0.60 0.15 0.02 0.00 0.00 177.57 178.37 1rjv h PHE 48 N -0.38 1.02 -0.19 1.57 3.57 -1.42 0.15 116.94 121.26 1rjv h PHE 48 Ca -0.04 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1rjv h PHE 48 Cb 0.30 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1rjv h PHE 48 CO 0.12 0.11 0.23 0.45 -2.23 0.00 0.00 178.31 176.99 1rjv h HIS 49 N 0.62 0.00 0.00 0.41 3.86 -1.55 -1.30 115.15 117.19 1rjv h HIS 49 Ca 0.63 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.75 1rjv h HIS 49 Cb 1.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 1rjv h HIS 49 CO -0.01 0.00 -0.42 1.98 0.86 0.00 0.00 177.93 180.34 1rjv h MET 50 N 0.00 0.00 0.07 2.45 1.85 -0.97 -3.32 114.93 115.00 1rjv h MET 50 Ca 0.09 0.00 -0.22 0.00 -0.61 0.00 0.00 59.70 58.96 1rjv h MET 50 Cb 0.54 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 1rjv h MET 50 CO -0.00 0.42 -1.17 -0.07 -0.40 0.00 0.00 176.91 175.69 1rjv h LEU 51 N 0.00 0.22 -6.45 3.39 4.07 -1.37 -3.40 115.31 111.76 1rjv h LEU 51 Ca -0.00 -0.78 -0.58 0.00 0.08 0.00 0.00 57.88 56.60 1rjv h LEU 51 Cb 0.96 -0.07 0.07 0.00 1.08 0.00 0.00 40.66 42.70 1rjv h LEU 51 CO 0.05 1.50 2.08 -0.67 -1.08 0.00 0.00 178.44 180.32 1rjv n ASP 52 N -4.16 2.33 0.23 -0.43 2.03 -0.93 -4.77 116.55 110.85 1rjv n ASP 52 Ca -0.25 -2.57 0.07 0.00 0.52 0.00 0.00 54.79 52.56 1rjv n ASP 52 Cb 0.78 -0.95 0.60 0.00 -0.72 0.00 0.00 41.12 40.83 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 8.18 0.05 0.00 -0.67 1.57 -1.79 0.12 116.57 124.03 1rjv h LYS 53 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1rjv h LYS 53 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1rjv h LYS 53 CO 1.88 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 180.42 1rjv n ASP 54 N -4.51 0.00 -3.94 0.86 5.75 -1.26 -4.96 116.55 108.50 1rjv n ASP 54 Ca -0.02 -0.48 -0.28 0.00 -0.01 0.00 0.00 54.79 54.00 1rjv n ASP 54 Cb 0.11 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.17 -4.17 0.00 0.11 4.76 0.42 -4.91 118.16 113.20 1rjv n LYS 55 Ca 0.18 0.49 0.13 0.00 -2.87 0.00 0.00 58.31 56.24 1rjv n LYS 55 Cb 0.19 -5.01 0.39 0.00 -1.84 0.00 0.00 35.03 28.76 1rjv n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rjv n SER 56 N -2.91 0.45 0.00 4.39 2.88 -1.26 -4.94 113.62 112.23 1rjv n SER 56 Ca -0.15 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1rjv n SER 56 Cb 0.61 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1rjv n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rjv n GLY 57 N 1.45 0.91 3.14 0.46 0.00 -1.26 -5.00 105.19 104.89 1rjv n GLY 57 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.66 -0.25 -0.16 1.61 0.08 -1.26 -4.77 117.98 109.56 1rjv s PHE 58 Ca 0.00 0.61 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1rjv s PHE 58 Cb 0.00 0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.49 1rjv s PHE 58 CO 0.00 -0.16 0.20 0.42 -0.10 0.00 0.00 175.22 175.58 1rjv s ILE 59 N -0.04 5.37 0.44 0.64 1.01 -0.98 -4.85 121.20 122.81 1rjv s ILE 59 Ca -0.02 0.34 0.05 0.00 0.00 0.00 0.00 60.65 61.03 1rjv s ILE 59 Cb -0.02 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1rjv s ILE 59 CO 0.01 0.47 0.01 -1.61 0.00 0.00 0.00 174.94 173.81 1rjv s GLU 60 N 0.02 2.04 0.58 2.79 8.01 -1.26 -2.38 118.70 128.50 1rjv s GLU 60 Ca 0.13 -2.21 0.29 0.00 0.01 0.00 0.00 54.97 53.19 1rjv s GLU 60 Cb -0.12 -1.60 1.45 0.00 -4.31 0.00 0.00 34.13 29.55 1rjv s GLU 60 CO 0.02 -0.16 1.87 1.05 0.01 0.00 0.00 175.26 178.05 1rjv h GLU 61 N 1.62 0.00 0.16 1.61 4.11 -1.95 -0.97 114.58 119.17 1rjv h GLU 61 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1rjv h GLU 61 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rjv h GLU 61 CO 0.79 0.00 -0.07 0.22 0.07 0.00 0.00 179.01 180.01 1rjv h ASP 62 N 0.00 -0.18 -0.23 3.06 3.58 -2.01 -1.89 116.42 118.75 1rjv h ASP 62 Ca 0.27 -0.21 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 1rjv h ASP 62 Cb 1.35 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1rjv h ASP 62 CO -0.00 0.12 -0.47 -0.33 -2.88 0.00 0.00 179.24 175.68 1rjv h GLU 63 N -0.49 0.72 0.00 0.28 3.07 -1.78 -3.28 114.58 113.10 1rjv h GLU 63 Ca -0.02 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1rjv h GLU 63 Cb 0.38 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1rjv h GLU 63 CO 0.04 1.09 0.00 -0.11 -1.40 0.00 0.00 179.01 178.63 1rjv n LEU 64 N -4.15 0.16 -0.23 1.33 0.00 -0.43 -0.27 117.00 113.42 1rjv n LEU 64 Ca -0.05 0.57 -0.06 0.00 0.00 0.00 0.00 56.01 56.46 1rjv n LEU 64 Cb 0.58 -0.58 0.04 0.00 0.00 0.00 0.00 43.42 43.47 1rjv n LEU 64 CO 0.48 -0.56 1.13 1.23 0.00 0.00 0.00 177.39 179.66 1rjv h GLY 65 N 0.52 0.91 -0.46 -3.96 0.00 -1.40 -3.40 103.07 95.27 1rjv h GLY 65 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1rjv h GLY 65 CO 0.00 0.34 -0.23 1.97 0.00 0.00 0.00 176.54 178.62 1rjv n PHE 66 N -4.62 0.00 -0.04 5.60 -1.74 0.45 0.06 117.46 117.17 1rjv n PHE 66 Ca 0.05 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.95 1rjv n PHE 66 Cb 0.03 -0.02 0.03 0.00 1.52 0.00 0.00 39.48 41.04 1rjv n PHE 66 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 1rjv n ILE 67 N 0.00 -0.04 -0.22 1.97 0.00 0.62 -0.67 119.36 121.02 1rjv n ILE 67 Ca 0.00 0.22 0.21 0.00 0.00 0.00 0.00 62.75 63.18 1rjv n ILE 67 Cb 0.59 -0.32 0.56 0.00 0.00 0.00 0.00 39.64 40.47 1rjv n ILE 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rjv h LEU 68 N 0.00 0.32 -1.33 9.51 3.38 -1.87 -0.66 115.31 124.65 1rjv h LEU 68 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rjv h LEU 68 Cb 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1rjv h LEU 68 CO -0.10 0.13 0.00 0.50 0.09 0.00 0.00 178.44 179.06 1rjv h LYS 69 N 0.31 0.00 0.06 1.13 3.11 -1.04 -1.12 116.57 119.02 1rjv h LYS 69 Ca 0.45 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 58.13 1rjv h LYS 69 Cb 1.25 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1rjv h LYS 69 CO -0.14 0.00 -0.65 0.78 -2.81 0.00 0.00 179.45 176.63 1rjv h GLY 70 N 0.91 0.38 0.87 5.01 0.00 -1.31 -3.35 103.07 105.58 1rjv h GLY 70 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 47.33 46.58 1rjv h GLY 70 CO 0.00 0.69 0.44 0.74 0.00 0.00 0.00 176.54 178.41 1rjv h PHE 71 N -0.27 0.83 -1.42 5.60 0.04 -1.32 -3.47 116.94 116.94 1rjv h PHE 71 Ca -0.10 0.02 0.37 0.00 2.80 0.00 0.00 57.97 61.07 1rjv h PHE 71 Cb 1.42 -0.27 -0.12 0.00 2.20 0.00 0.00 35.95 39.18 1rjv h PHE 71 CO 0.17 0.47 0.93 -1.12 -0.60 0.00 0.00 178.31 178.17 1rjv s SER 72 N -5.75 -0.02 0.85 2.17 0.01 -0.92 -4.92 113.70 105.13 1rjv s SER 72 Ca -0.13 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 1rjv s SER 72 Cb 0.15 0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.56 1rjv s SER 72 CO 0.77 -0.14 1.09 -2.16 0.41 0.00 0.00 173.24 173.21 1rjv s PRO 73 N -2.14 1.65 0.00 12.44 0.04 -1.26 -4.05 135.00 141.68 1rjv s PRO 73 Ca 0.19 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1rjv s PRO 73 Cb 0.05 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1rjv s PRO 73 CO -0.05 -1.96 0.00 -3.47 0.04 0.00 0.00 177.00 171.57 1rjv n ASP 74 N -3.68 0.00 -4.45 6.66 2.03 -1.26 -5.05 116.55 110.79 1rjv n ASP 74 Ca 0.07 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.99 1rjv n ASP 74 Cb 0.55 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.00 -1.31 -4.06 -1.67 0.00 -1.26 -5.06 120.51 107.16 1rjv n ALA 75 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 1rjv n ALA 75 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 0.25 0.52 -1.58 0.00 1.74 -1.26 -4.72 116.66 111.61 1rjv n ARG 76 Ca 0.11 -2.84 -0.45 0.00 -0.77 0.00 0.00 57.85 53.91 1rjv n ARG 76 Cb 0.45 2.52 -0.04 0.00 -1.02 0.00 0.00 32.46 34.37 1rjv n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rjv n ASP 77 N -1.72 3.14 -4.65 0.55 9.92 -1.26 -4.53 116.55 118.00 1rjv n ASP 77 Ca 0.04 0.34 -0.32 0.00 -0.53 0.00 0.00 54.79 54.32 1rjv n ASP 77 Cb 0.55 -1.49 0.14 0.00 -0.64 0.00 0.00 41.12 39.69 1rjv n ASP 77 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1rjv n LEU 78 N 10.72 3.48 -4.74 0.64 4.77 0.11 -4.99 117.00 126.99 1rjv n LEU 78 Ca 0.31 0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 56.44 1rjv n LEU 78 Cb 0.39 -1.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.09 1rjv n LEU 78 CO 0.69 -2.09 0.80 -0.55 -1.33 0.00 0.00 177.39 174.91 1rjv s SER 79 N -2.31 4.54 0.48 -1.43 0.15 -0.15 -4.83 113.70 110.15 1rjv s SER 79 Ca 0.69 2.32 0.20 0.00 0.70 0.00 0.00 55.95 59.86 1rjv s SER 79 Cb -0.26 -2.59 1.22 0.00 -1.71 0.00 0.00 66.02 62.68 1rjv s SER 79 CO 0.55 -2.03 1.98 0.00 1.20 0.00 0.00 173.24 174.94 1rjv h ALA 80 N 0.02 2.27 -0.11 5.45 0.00 -1.96 -0.85 119.26 124.10 1rjv h ALA 80 Ca -0.48 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1rjv h ALA 80 Cb 1.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1rjv h ALA 80 CO 0.52 -0.43 -0.71 0.87 0.00 0.00 0.00 179.25 179.49 1rjv h LYS 81 N 0.20 0.67 0.29 0.00 1.79 -1.92 -2.99 116.57 114.61 1rjv h LYS 81 Ca 0.28 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1rjv h LYS 81 Cb 0.82 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1rjv h LYS 81 CO -0.05 1.19 -0.28 1.49 -1.08 0.00 0.00 179.45 180.72 1rjv h GLU 82 N 0.34 -0.55 -1.00 3.15 4.22 -1.62 -1.90 114.58 117.21 1rjv h GLU 82 Ca -0.06 0.04 0.12 0.00 0.08 0.00 0.00 59.36 59.54 1rjv h GLU 82 Cb 1.36 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.65 1rjv h GLU 82 CO 0.15 -0.37 0.63 0.00 -2.18 0.00 0.00 179.01 177.24 1rjv h THR 83 N -0.57 0.91 0.37 0.32 1.03 -1.28 0.30 112.91 113.98 1rjv h THR 83 Ca -0.04 -0.34 -0.01 0.00 -0.01 0.00 0.00 66.41 66.01 1rjv h THR 83 Cb 0.49 -0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 67.41 1rjv h THR 83 CO -0.03 0.18 -0.23 0.11 -0.01 0.00 0.00 175.52 175.54 1rjv h LYS 84 N 0.98 -0.55 -0.34 0.00 1.57 -1.51 0.93 116.57 117.65 1rjv h LYS 84 Ca 0.50 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1rjv h LYS 84 Cb 0.51 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1rjv h LYS 84 CO -0.27 -0.37 0.07 1.98 -0.57 0.00 0.00 179.45 180.29 1rjv h MET 85 N -0.57 0.55 -0.52 3.15 4.05 -0.30 -1.91 114.93 119.37 1rjv h MET 85 Ca -0.04 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1rjv h MET 85 Cb 0.47 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 1rjv h MET 85 CO 0.04 0.62 0.27 1.25 0.23 0.00 0.00 176.91 179.32 1rjv h LEU 86 N 0.39 0.66 0.37 3.39 5.85 -0.50 0.21 115.31 125.69 1rjv h LEU 86 Ca 0.10 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1rjv h LEU 86 Cb 0.33 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1rjv h LEU 86 CO 0.00 0.58 -0.47 -0.03 -0.34 0.00 0.00 178.44 178.19 1rjv h MET 87 N 0.70 -0.84 -0.16 1.25 4.05 -0.77 0.22 114.93 119.38 1rjv h MET 87 Ca 0.18 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1rjv h MET 87 Cb 0.08 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1rjv h MET 87 CO -0.03 -0.56 0.10 0.00 0.23 0.00 0.00 176.91 176.65 1rjv h ALA 88 N -0.60 0.21 -0.07 0.39 0.00 -1.14 -1.40 119.26 116.65 1rjv h ALA 88 Ca -0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1rjv h ALA 88 Cb 0.79 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rjv h ALA 88 CO -0.12 -0.28 -0.50 0.00 0.00 0.00 0.00 179.25 178.35 1rjv h ALA 89 N 1.01 0.15 -0.56 0.00 0.00 -0.63 -3.34 119.26 115.90 1rjv h ALA 89 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1rjv h ALA 89 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rjv h ALA 89 CO -0.01 0.34 0.17 0.78 0.00 0.00 0.00 179.25 180.54 1rjv h GLY 90 N 0.01 0.93 -5.98 0.00 0.00 -0.56 -2.89 103.07 94.59 1rjv h GLY 90 Ca -0.04 -0.55 -0.57 0.00 0.00 0.00 0.00 47.33 46.17 1rjv h GLY 90 CO 0.10 0.52 2.61 1.34 0.00 0.00 0.00 176.54 181.11 1rjv n ASP 91 N -4.44 3.88 0.00 0.19 2.03 -0.53 -4.62 116.55 113.06 1rjv n ASP 91 Ca 0.03 -2.57 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1rjv n ASP 91 Cb 0.20 -1.20 0.02 0.00 -0.72 0.00 0.00 41.12 39.42 1rjv n ASP 91 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1rjv n LYS 92 N 5.74 0.01 0.00 -0.67 -0.00 -1.09 -2.62 118.16 119.52 1rjv n LYS 92 Ca 0.50 0.38 0.04 0.00 -0.00 0.00 0.00 58.31 59.22 1rjv n LYS 92 Cb 0.30 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1rjv n ASP 93 N -1.39 0.52 0.00 -5.58 2.03 -1.26 -5.03 116.55 105.84 1rjv n ASP 93 Ca 0.00 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1rjv n ASP 93 Cb 0.01 0.88 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 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 1.09 0.48 0.09 0.27 0.00 -1.08 -4.97 105.19 101.09 1rjv n GLY 94 Ca 0.02 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.35 1rjv n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rjv n ASP 95 N 1.49 0.74 -0.28 1.61 8.00 -1.26 -4.93 116.55 121.91 1rjv n ASP 95 Ca 0.00 0.57 -0.04 0.00 0.71 0.00 0.00 54.79 56.03 1rjv n ASP 95 Cb 0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 1rjv n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjv n GLY 96 N 1.33 0.44 3.01 0.44 0.00 -1.26 -5.02 105.19 104.12 1rjv n GLY 96 Ca 0.06 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.99 0.58 -0.09 1.61 3.01 -1.26 -4.81 119.74 116.78 1rjv s LYS 97 Ca 0.00 -0.37 -0.30 0.00 -1.01 0.00 0.00 55.97 54.29 1rjv s LYS 97 Cb 0.00 -0.52 -0.04 0.00 -1.01 0.00 0.00 37.83 36.26 1rjv s LYS 97 CO 0.00 0.14 1.41 0.42 0.51 0.00 0.00 175.35 177.82 1rjv s ILE 98 N -0.43 3.95 0.09 2.17 1.01 -1.00 -4.52 121.20 122.48 1rjv s ILE 98 Ca 0.00 1.20 0.04 0.00 0.00 0.00 0.00 60.65 61.90 1rjv s ILE 98 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1rjv s ILE 98 CO -0.00 -0.08 0.04 -0.83 0.00 0.00 0.00 174.94 174.07 1rjv s GLY 99 N 2.35 1.94 0.13 6.18 0.00 -1.26 -2.31 107.32 114.34 1rjv s GLY 99 Ca 0.62 -1.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.02 1rjv s GLY 99 CO 0.22 -1.07 1.65 -0.24 0.00 0.00 0.00 173.10 173.65 1rjv h VAL 100 N 2.67 0.48 -0.42 1.40 3.04 -1.94 0.66 116.25 122.13 1rjv h VAL 100 Ca -0.47 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.17 1rjv h VAL 100 Cb 1.17 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1rjv h VAL 100 CO 0.63 0.00 0.06 -0.78 -1.01 0.00 0.00 177.57 176.46 1rjv h ASP 101 N -0.29 0.60 0.23 3.17 3.58 -1.98 -0.98 116.42 120.75 1rjv h ASP 101 Ca 0.09 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1rjv h ASP 101 Cb 0.42 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1rjv h ASP 101 CO -0.26 0.63 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.29 1rjv h GLU 102 N 0.62 -0.30 -0.79 0.28 5.08 -1.89 -3.13 114.58 114.45 1rjv h GLU 102 Ca 0.14 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1rjv h GLU 102 Cb 0.31 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1rjv h GLU 102 CO 0.00 0.06 0.52 0.35 -1.00 0.00 0.00 179.01 178.95 1rjv h PHE 103 N -0.73 0.53 0.00 4.33 3.57 -0.57 0.27 116.94 124.33 1rjv h PHE 103 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1rjv h PHE 103 Cb 0.49 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1rjv h PHE 103 CO 0.04 0.19 -0.12 0.77 -2.23 0.00 0.00 178.31 176.96 1rjv h SER 104 N 0.44 0.00 0.00 0.41 0.02 -1.20 -3.36 113.55 109.86 1rjv h SER 104 Ca 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1rjv h SER 104 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1rjv h SER 104 CO -0.13 0.12 -1.06 0.35 -1.14 0.00 0.00 176.83 174.97 1rjv n THR 105 N -3.26 0.04 -0.30 -2.27 -2.24 -0.28 -4.41 114.28 101.56 1rjv n THR 105 Ca 0.00 -0.03 0.27 0.00 -2.27 0.00 0.00 64.05 62.02 1rjv n THR 105 Cb 0.38 -0.46 0.48 0.00 -2.10 0.00 0.00 70.33 68.62 1rjv n THR 105 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rjv n LEU 106 N -1.86 0.20 -0.13 3.22 7.94 0.78 -0.71 117.00 126.45 1rjv n LEU 106 Ca -0.01 1.13 0.10 0.00 -1.11 0.00 0.00 56.01 56.12 1rjv n LEU 106 Cb 0.35 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.66 1rjv n LEU 106 CO 0.02 -1.24 0.04 1.33 -1.11 0.00 0.00 177.39 176.43 1rjv n VAL 107 N -4.41 0.00 -0.07 1.96 0.24 -1.26 -2.94 118.33 111.85 1rjv n VAL 107 Ca 0.29 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.34 62.34 1rjv n VAL 107 Cb 1.08 1.07 -0.13 0.00 -1.47 0.00 0.00 33.84 34.38 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 -1.10 1.27 0.29 2.33 0.00 0.11 -3.45 120.51 119.96 1rjv n ALA 108 Ca 0.05 -0.94 0.17 0.00 0.00 0.00 0.00 53.44 52.72 1rjv n ALA 108 Cb 0.36 -0.36 0.85 0.00 0.00 0.00 0.00 19.45 20.30 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 0.02 0.00 0.00 0.00 4.11 -1.12 -3.52 114.58 114.07 1rjv h GLU 109 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rjv h GLU 109 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1rjv h GLU 109 CO -0.00 0.05 0.00 -1.13 0.07 0.00 0.00 179.01 177.99