#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3p h MET 2 N 0.00 0.01 0.00 4.33 -1.53 -1.87 -1.04 114.93 114.82 1s3p h MET 2 Ca 0.00 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1s3p h MET 2 Cb 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 1s3p h MET 2 CO 0.00 0.01 0.00 0.25 0.14 0.00 0.00 176.91 177.31 1s3p n THR 3 N -4.53 0.00 1.20 -0.77 -2.24 -1.26 -1.02 114.28 105.67 1s3p n THR 3 Ca -0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1s3p n THR 3 Cb 0.10 -0.60 0.41 0.00 -2.10 0.00 0.00 70.33 68.14 1s3p n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s3p n ASP 4 N -0.90 0.70 0.00 3.42 8.00 -0.40 -4.14 116.55 123.24 1s3p n ASP 4 Ca 0.11 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1s3p n ASP 4 Cb 0.05 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1s3p n ASP 4 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s3p n LEU 5 N -0.99 1.02 -4.18 0.64 4.77 -0.19 -5.05 117.00 113.02 1s3p n LEU 5 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1s3p n LEU 5 Cb 0.33 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1s3p n LEU 5 CO 0.28 0.17 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.32 1s3p s LEU 6 N -4.01 2.38 0.51 2.23 1.43 -0.19 -5.03 118.68 116.00 1s3p s LEU 6 Ca 0.00 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.13 1s3p s LEU 6 Cb 0.00 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.77 1s3p s LEU 6 CO 0.00 -0.21 1.06 -0.94 0.23 0.00 0.00 176.35 176.49 1s3p s SER 7 N -2.31 6.16 0.33 2.29 1.04 -1.26 -4.07 113.70 115.88 1s3p s SER 7 Ca 0.04 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.53 1s3p s SER 7 Cb -0.05 -2.56 0.59 0.00 0.10 0.00 0.00 66.02 64.10 1s3p s SER 7 CO 0.01 -0.91 1.79 0.00 0.98 0.00 0.00 173.24 175.11 1s3p h ALA 8 N 1.40 1.28 -0.26 5.32 0.00 -1.95 -1.94 119.26 123.11 1s3p h ALA 8 Ca -0.49 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.11 1s3p h ALA 8 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1s3p h ALA 8 CO 0.58 0.49 0.13 1.49 0.00 0.00 0.00 179.25 181.94 1s3p h GLU 9 N 0.23 0.26 -0.10 0.00 4.81 -2.00 -0.96 114.58 116.83 1s3p h GLU 9 Ca 0.03 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1s3p h GLU 9 Cb 0.62 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1s3p h GLU 9 CO 0.04 0.17 -0.61 -0.44 -0.73 0.00 0.00 179.01 177.45 1s3p h ASP 10 N 0.27 0.37 -0.13 1.04 3.45 -1.79 -2.71 116.42 116.93 1s3p h ASP 10 Ca 0.11 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 1s3p h ASP 10 Cb 0.03 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1s3p h ASP 10 CO -0.08 0.89 0.02 0.40 -1.57 0.00 0.00 179.24 178.91 1s3p h ILE 11 N 0.24 1.22 -0.87 0.35 2.04 -1.14 -0.54 117.51 118.82 1s3p h ILE 11 Ca -0.01 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s3p h ILE 11 Cb 1.13 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 1s3p h ILE 11 CO 0.10 0.21 0.52 0.11 0.00 0.00 0.00 178.15 179.09 1s3p h LYS 12 N -0.01 1.18 -0.23 2.37 1.57 -1.17 0.53 116.57 120.79 1s3p h LYS 12 Ca 0.04 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1s3p h LYS 12 Cb 0.30 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1s3p h LYS 12 CO 0.00 0.82 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.39 1s3p h LYS 13 N 1.20 0.47 0.21 3.15 1.63 -1.36 0.12 116.57 121.99 1s3p h LYS 13 Ca 0.31 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1s3p h LYS 13 Cb -0.05 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1s3p h LYS 13 CO -0.06 0.73 -0.10 0.00 -3.45 0.00 0.00 179.45 176.57 1s3p h ALA 14 N 0.73 -0.28 -0.86 5.00 0.00 -0.84 -2.57 119.26 120.44 1s3p h ALA 14 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1s3p h ALA 14 Cb 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1s3p h ALA 14 CO 0.03 -0.56 0.55 0.82 0.00 0.00 0.00 179.25 180.09 1s3p h ILE 15 N -0.48 1.13 0.00 0.00 1.08 -0.95 -1.89 117.51 116.39 1s3p h ILE 15 Ca -0.03 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1s3p h ILE 15 Cb 0.37 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 1s3p h ILE 15 CO 0.05 0.19 -0.00 1.23 -0.69 0.00 0.00 178.15 178.93 1s3p h GLY 16 N 1.06 0.00 1.56 5.37 0.00 -0.57 -2.02 103.07 108.47 1s3p h GLY 16 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1s3p h GLY 16 CO -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.13 1s3p n ALA 17 N -2.13 2.70 -2.51 3.60 0.00 -0.71 -4.27 120.51 117.19 1s3p n ALA 17 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 1s3p n ALA 17 Cb 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.24 1s3p n ALA 17 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1s3p n PHE 18 N -1.95 2.07 0.34 0.00 3.72 -0.76 -4.85 117.46 116.03 1s3p n PHE 18 Ca 0.05 -2.51 0.13 0.00 -0.05 0.00 0.00 57.45 55.07 1s3p n PHE 18 Cb 0.40 -0.26 0.34 0.00 -0.94 0.00 0.00 39.48 39.02 1s3p n PHE 18 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1s3p h THR 19 N 3.48 0.00 -3.69 4.37 1.35 -1.74 -3.46 112.91 113.23 1s3p h THR 19 Ca 0.09 -0.73 -0.50 0.00 -0.55 0.00 0.00 66.41 64.73 1s3p h THR 19 Cb 1.25 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.35 1s3p h THR 19 CO 0.54 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 175.94 1s3p s ALA 20 N -3.28 3.34 0.52 6.62 0.00 -1.26 -5.00 121.76 122.71 1s3p s ALA 20 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 1s3p s ALA 20 Cb 0.08 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1s3p s ALA 20 CO 0.61 0.31 1.31 0.00 0.00 0.00 0.00 175.76 178.00 1s3p s ALA 21 N -1.80 2.86 -1.46 0.00 0.00 -1.26 -3.10 121.76 117.01 1s3p s ALA 21 Ca 0.50 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 1s3p s ALA 21 Cb -0.13 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1s3p s ALA 21 CO 0.19 -1.20 0.90 -0.25 0.00 0.00 0.00 175.76 175.40 1s3p n ASP 22 N -0.88 -6.04 -0.00 0.00 8.00 -1.26 -4.89 116.55 111.48 1s3p n ASP 22 Ca 0.10 -0.45 0.03 0.00 0.71 0.00 0.00 54.79 55.18 1s3p n ASP 22 Cb 0.46 -4.82 -0.04 0.00 -0.02 0.00 0.00 41.12 36.70 1s3p n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s3p n SER 23 N -2.76 0.70 -4.68 -2.24 3.41 -1.18 -5.05 113.62 101.82 1s3p n SER 23 Ca -0.04 -0.58 -0.45 0.00 -0.26 0.00 0.00 58.87 57.54 1s3p n SER 23 Cb 0.58 1.04 -0.04 0.00 -0.26 0.00 0.00 64.21 65.53 1s3p n SER 23 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1s3p n PHE 24 N -1.23 2.42 -3.82 7.33 7.35 -1.26 -4.92 117.46 123.34 1s3p n PHE 24 Ca 0.01 0.12 -0.30 0.00 -0.76 0.00 0.00 57.45 56.52 1s3p n PHE 24 Cb 0.11 -2.61 -0.15 0.00 0.35 0.00 0.00 39.48 37.18 1s3p n PHE 24 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1s3p s ASP 25 N 1.70 4.24 0.32 -2.13 -1.08 -1.26 -5.03 116.67 113.42 1s3p s ASP 25 Ca 0.81 -1.78 -0.00 0.00 -0.52 0.00 0.00 52.55 51.05 1s3p s ASP 25 Cb -0.62 -1.08 0.52 0.00 -1.46 0.00 0.00 42.92 40.28 1s3p s ASP 25 CO 0.39 -0.40 1.97 1.12 0.52 0.00 0.00 175.17 178.77 1s3p h HIS 26 N 7.95 0.93 -0.25 -5.34 2.07 -1.98 0.14 115.15 118.66 1s3p h HIS 26 Ca -0.11 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.40 1s3p h HIS 26 Cb 1.02 -0.31 -0.01 0.00 2.57 0.00 0.00 27.41 30.68 1s3p h HIS 26 CO 0.39 0.60 0.07 0.87 -3.07 0.00 0.00 177.93 176.78 1s3p h LYS 27 N 0.99 0.40 -0.55 5.12 1.57 -1.91 -1.25 116.57 120.94 1s3p h LYS 27 Ca 0.26 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1s3p h LYS 27 Cb -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1s3p h LYS 27 CO -0.05 0.49 0.05 -0.22 -0.57 0.00 0.00 179.45 179.15 1s3p h LYS 28 N 0.24 0.93 -0.13 3.15 3.64 -1.87 -2.76 116.57 119.76 1s3p h LYS 28 Ca 0.08 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1s3p h LYS 28 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s3p h LYS 28 CO -0.00 0.92 0.07 0.35 -2.27 0.00 0.00 179.45 178.52 1s3p h PHE 29 N 0.82 0.18 -0.17 1.91 3.57 -0.52 -0.98 116.94 121.75 1s3p h PHE 29 Ca 0.16 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1s3p h PHE 29 Cb 0.46 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1s3p h PHE 29 CO 0.03 0.19 -0.20 0.74 -2.23 0.00 0.00 178.31 176.84 1s3p h PHE 30 N 0.12 0.32 0.09 0.41 0.04 -1.25 -1.42 116.94 115.25 1s3p h PHE 30 Ca 0.05 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1s3p h PHE 30 Cb 0.07 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1s3p h PHE 30 CO -0.04 0.49 -0.04 0.37 -0.60 0.00 0.00 178.31 178.48 1s3p h GLN 31 N 0.28 -0.12 -0.75 1.51 -0.00 -1.31 -2.77 115.11 111.95 1s3p h GLN 31 Ca 0.05 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.72 1s3p h GLN 31 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.99 1s3p h GLN 31 CO 0.03 0.31 0.50 0.52 0.00 0.00 0.00 178.83 180.19 1s3p h MET 32 N -0.60 0.96 0.00 1.69 2.86 -1.05 -1.84 114.93 116.95 1s3p h MET 32 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1s3p h MET 32 Cb 0.49 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1s3p h MET 32 CO 0.02 0.63 0.00 1.55 1.06 0.00 0.00 176.91 180.17 1s3p n VAL 33 N -4.43 0.09 -1.00 -2.22 3.14 -0.55 -4.63 118.33 108.73 1s3p n VAL 33 Ca 0.09 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1s3p n VAL 33 Cb 0.06 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 1s3p n VAL 33 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s3p n GLY 34 N 1.01 0.56 0.06 7.55 0.00 -0.69 -4.62 105.19 109.05 1s3p n GLY 34 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1s3p n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s3p n LEU 35 N 0.00 0.26 0.23 0.99 -0.00 -1.06 -3.30 117.00 114.13 1s3p n LEU 35 Ca 0.00 0.16 0.09 0.00 -0.00 0.00 0.00 56.01 56.26 1s3p n LEU 35 Cb 0.01 -0.26 0.53 0.00 -0.00 0.00 0.00 43.42 43.69 1s3p n LEU 35 CO 0.00 0.05 0.84 0.11 -0.00 0.00 0.00 177.39 178.39 1s3p h LYS 36 N 0.27 0.00 -0.51 1.47 1.79 -1.86 -2.71 116.57 115.03 1s3p h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s3p h LYS 36 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1s3p h LYS 36 CO 0.00 0.24 0.00 0.36 -1.08 0.00 0.00 179.45 178.97 1s3p n LYS 37 N -3.67 3.99 -3.38 3.15 0.00 -1.21 -4.97 118.16 112.07 1s3p n LYS 37 Ca -0.01 -2.95 -0.23 0.00 -0.00 0.00 0.00 58.31 55.12 1s3p n LYS 37 Cb 0.36 -2.01 -0.01 0.00 -0.00 0.00 0.00 35.03 33.38 1s3p n LYS 37 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1s3p s LYS 38 N -2.42 3.33 0.88 -1.58 3.01 -1.02 -5.09 119.74 116.85 1s3p s LYS 38 Ca 0.49 -0.51 -0.11 0.00 -1.01 0.00 0.00 55.97 54.82 1s3p s LYS 38 Cb 0.36 -2.69 0.12 0.00 -1.01 0.00 0.00 37.83 34.61 1s3p s LYS 38 CO 0.17 0.08 1.09 -1.54 0.51 0.00 0.00 175.35 175.66 1s3p s SER 39 N -4.09 3.52 0.48 2.83 1.04 -1.26 -4.81 113.70 111.42 1s3p s SER 39 Ca 0.42 1.63 0.20 0.00 0.48 0.00 0.00 55.95 58.68 1s3p s SER 39 Cb -0.10 -2.29 1.22 0.00 0.10 0.00 0.00 66.02 64.95 1s3p s SER 39 CO 0.35 -2.63 2.04 0.00 0.98 0.00 0.00 173.24 173.98 1s3p h ALA 40 N -1.54 1.54 -0.21 5.32 0.00 -1.98 -1.35 119.26 121.04 1s3p h ALA 40 Ca -0.48 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1s3p h ALA 40 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s3p h ALA 40 CO 0.52 0.18 -0.65 -0.44 0.00 0.00 0.00 179.25 178.86 1s3p h ASP 41 N 0.00 0.90 -0.08 0.00 3.32 -1.99 -2.18 116.42 116.38 1s3p h ASP 41 Ca -0.00 -0.53 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 1s3p h ASP 41 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1s3p h ASP 41 CO 0.02 1.32 -0.36 0.44 -1.72 0.00 0.00 179.24 178.94 1s3p h ASP 42 N 0.57 0.62 -0.32 6.45 5.19 -1.78 -1.70 116.42 125.45 1s3p h ASP 42 Ca -0.02 -0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1s3p h ASP 42 Cb 1.26 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1s3p h ASP 42 CO 0.14 0.92 0.05 0.58 -3.12 0.00 0.00 179.24 177.81 1s3p h VAL 43 N 0.49 1.20 -0.28 -1.35 2.07 -1.19 -0.96 116.25 116.24 1s3p h VAL 43 Ca 0.05 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1s3p h VAL 43 Cb 0.86 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1s3p h VAL 43 CO 0.07 0.28 -0.31 0.50 0.02 0.00 0.00 177.57 178.13 1s3p h LYS 44 N 0.61 0.59 -0.34 1.57 3.64 -0.94 -0.21 116.57 121.48 1s3p h LYS 44 Ca 0.13 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1s3p h LYS 44 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1s3p h LYS 44 CO 0.01 0.83 -0.21 0.87 -2.27 0.00 0.00 179.45 178.68 1s3p h LYS 45 N 0.51 0.66 -0.51 1.90 1.57 -0.61 -0.43 116.57 119.66 1s3p h LYS 45 Ca 0.06 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1s3p h LYS 45 Cb 0.78 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1s3p h LYS 45 CO 0.06 0.82 0.00 0.28 -0.57 0.00 0.00 179.45 180.04 1s3p h VAL 46 N 0.58 1.26 -0.97 0.50 2.07 -0.81 -2.73 116.25 116.15 1s3p h VAL 46 Ca 0.09 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1s3p h VAL 46 Cb 0.67 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1s3p h VAL 46 CO 0.05 0.38 0.63 0.15 0.02 0.00 0.00 177.57 178.79 1s3p h PHE 47 N 0.76 1.17 -0.89 1.57 3.04 -0.28 -2.35 116.94 119.96 1s3p h PHE 47 Ca 0.14 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1s3p h PHE 47 Cb 0.51 -0.39 -0.04 0.00 2.56 0.00 0.00 35.95 38.60 1s3p h PHE 47 CO 0.04 0.65 0.50 0.45 -2.02 0.00 0.00 178.31 177.93 1s3p h HIS 48 N 1.19 1.21 -0.32 0.41 3.86 -0.84 -0.02 115.15 120.63 1s3p h HIS 48 Ca 0.40 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 1s3p h HIS 48 Cb 0.06 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1s3p h HIS 48 CO -0.01 0.83 0.17 0.82 0.86 0.00 0.00 177.93 180.59 1s3p h ILE 49 N 1.24 1.14 -0.24 2.45 2.04 -1.16 -3.14 117.51 119.85 1s3p h ILE 49 Ca 0.31 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1s3p h ILE 49 Cb 0.01 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1s3p h ILE 49 CO -0.05 0.15 -0.32 -0.07 0.00 0.00 0.00 178.15 177.85 1s3p h LEU 50 N 0.39 0.51 -7.92 1.44 3.38 -1.02 -3.34 115.31 108.75 1s3p h LEU 50 Ca 0.11 -0.20 -0.61 0.00 0.09 0.00 0.00 57.88 57.28 1s3p h LEU 50 Cb 0.09 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1s3p h LEU 50 CO -0.02 0.80 1.90 -0.62 0.09 0.00 0.00 178.44 180.60 1s3p s ASP 51 N -6.83 6.47 0.22 -0.43 2.15 -0.06 -4.80 116.67 113.40 1s3p s ASP 51 Ca -0.07 -2.15 -0.10 0.00 0.43 0.00 0.00 52.55 50.66 1s3p s ASP 51 Cb 0.13 -2.58 0.33 0.00 -0.30 0.00 0.00 42.92 40.50 1s3p s ASP 51 CO 0.80 -1.55 1.65 0.11 -0.17 0.00 0.00 175.17 176.01 1s3p h LYS 52 N 8.30 0.08 -0.01 4.34 1.57 -1.77 -2.08 116.57 127.00 1s3p h LYS 52 Ca 0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1s3p h LYS 52 Cb 0.90 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1s3p h LYS 52 CO 1.41 0.05 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.89 1s3p n ASP 53 N -5.34 1.42 -1.34 0.86 3.85 -1.26 -4.94 116.55 109.80 1s3p n ASP 53 Ca 0.10 -1.38 -0.14 0.00 -0.71 0.00 0.00 54.79 52.66 1s3p n ASP 53 Cb 0.39 0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.15 1s3p n ASP 53 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1s3p n LYS 54 N 0.02 -1.05 0.00 0.11 4.76 -0.78 -4.89 118.16 116.32 1s3p n LYS 54 Ca 0.17 0.85 0.16 0.00 -2.87 0.00 0.00 58.31 56.62 1s3p n LYS 54 Cb 0.36 -5.03 0.86 0.00 -1.84 0.00 0.00 35.03 29.37 1s3p n LYS 54 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1s3p n ASP 55 N -0.48 0.22 0.00 4.39 3.85 -1.26 -4.89 116.55 118.38 1s3p n ASP 55 Ca -0.15 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.95 1s3p n ASP 55 Cb 0.54 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 1s3p n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s3p n GLY 56 N 1.06 0.25 3.00 6.12 0.00 -1.26 -5.07 105.19 109.29 1s3p n GLY 56 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1s3p n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s3p s PHE 57 N -2.01 0.52 -0.41 1.61 0.40 -1.26 -4.22 117.98 112.61 1s3p s PHE 57 Ca 0.00 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 1s3p s PHE 57 Cb 0.00 -0.32 0.02 0.00 0.51 0.00 0.00 43.02 43.22 1s3p s PHE 57 CO 0.00 -0.05 0.55 0.42 0.70 0.00 0.00 175.22 176.84 1s3p s ILE 58 N -0.76 4.95 0.82 0.64 1.01 0.90 -4.82 121.20 123.95 1s3p s ILE 58 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1s3p s ILE 58 Cb -0.06 -4.10 0.17 0.00 0.01 0.00 0.00 42.46 38.48 1s3p s ILE 58 CO 0.00 -0.46 1.12 -0.90 0.00 0.00 0.00 174.94 174.70 1s3p n ASP 59 N 5.94 0.92 -0.31 3.58 3.85 -1.26 -0.81 116.55 128.47 1s3p n ASP 59 Ca -0.04 -1.92 -0.04 0.00 -0.71 0.00 0.00 54.79 52.08 1s3p n ASP 59 Cb 0.48 -0.78 0.08 0.00 -1.35 0.00 0.00 41.12 39.55 1s3p n ASP 59 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1s3p h GLU 60 N 0.00 1.14 -0.60 0.11 5.08 -1.97 0.12 114.58 118.46 1s3p h GLU 60 Ca -0.37 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1s3p h GLU 60 Cb 1.22 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1s3p h GLU 60 CO 0.34 0.79 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.69 1s3p h ASP 61 N 1.15 1.04 -0.36 1.42 3.32 -1.97 -1.32 116.42 119.71 1s3p h ASP 61 Ca 0.30 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1s3p h ASP 61 Cb -0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1s3p h ASP 61 CO -0.06 1.10 -0.12 -0.33 -1.72 0.00 0.00 179.24 178.11 1s3p h GLU 62 N 0.96 0.80 -0.97 3.56 5.08 -1.84 -3.06 114.58 119.10 1s3p h GLU 62 Ca 0.17 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1s3p h GLU 62 Cb 0.58 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1s3p h GLU 62 CO 0.03 0.89 0.62 1.25 -1.00 0.00 0.00 179.01 180.80 1s3p h LEU 63 N 0.72 1.14 -2.51 1.33 6.46 -0.31 -1.81 115.31 120.34 1s3p h LEU 63 Ca 0.12 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1s3p h LEU 63 Cb 0.61 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1s3p h LEU 63 CO 0.04 0.85 0.05 1.23 -0.62 0.00 0.00 178.44 180.00 1s3p h GLY 64 N 1.33 0.00 -2.27 3.75 0.00 -1.15 -0.34 103.07 104.39 1s3p h GLY 64 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1s3p h GLY 64 CO -0.07 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.91 1s3p n SER 65 N -3.64 3.35 -0.20 0.19 7.64 -0.68 -0.13 113.62 120.15 1s3p n SER 65 Ca -0.02 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1s3p n SER 65 Cb 0.14 -0.43 0.09 0.00 -1.01 0.00 0.00 64.21 63.01 1s3p n SER 65 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1s3p h ILE 66 N 3.40 0.51 -0.91 0.44 2.10 -1.00 -1.49 117.51 120.57 1s3p h ILE 66 Ca 0.00 -0.04 0.04 0.00 1.08 0.00 0.00 64.86 65.94 1s3p h ILE 66 Cb 0.90 0.39 -0.06 0.00 -1.09 0.00 0.00 36.82 36.96 1s3p h ILE 66 CO 0.05 0.02 0.59 -0.07 -1.08 0.00 0.00 178.15 177.66 1s3p h LEU 67 N 0.12 0.96 -2.43 2.19 3.38 -1.82 0.87 115.31 118.58 1s3p h LEU 67 Ca 0.31 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1s3p h LEU 67 Cb 0.49 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1s3p h LEU 67 CO -0.51 0.65 -0.01 0.11 0.09 0.00 0.00 178.44 178.77 1s3p h LYS 68 N 1.12 0.00 0.00 1.13 1.57 -1.36 0.13 116.57 119.16 1s3p h LYS 68 Ca 0.37 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1s3p h LYS 68 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1s3p h LYS 68 CO -0.14 0.01 -0.31 0.78 -0.57 0.00 0.00 179.45 179.23 1s3p h GLY 69 N 0.66 0.00 0.25 3.86 0.00 -0.44 -3.20 103.07 104.19 1s3p h GLY 69 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1s3p h GLY 69 CO 0.00 0.00 -2.28 0.69 0.00 0.00 0.00 176.54 174.95 1s3p n PHE 70 N -3.81 0.46 -3.69 5.60 3.01 -0.14 -4.68 117.46 114.20 1s3p n PHE 70 Ca -0.01 0.10 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1s3p n PHE 70 Cb 0.40 -1.06 -0.18 0.00 -0.01 0.00 0.00 39.48 38.63 1s3p n PHE 70 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1s3p s SER 71 N -6.59 1.39 0.37 4.37 0.15 -0.17 -4.81 113.70 108.41 1s3p s SER 71 Ca -0.27 -0.04 0.12 0.00 0.70 0.00 0.00 55.95 56.46 1s3p s SER 71 Cb 0.08 -0.24 0.91 0.00 -1.71 0.00 0.00 66.02 65.07 1s3p s SER 71 CO 0.68 -0.24 1.84 0.77 1.20 0.00 0.00 173.24 177.50 1s3p h SER 72 N 8.40 0.58 -0.16 5.45 4.64 -1.82 -1.84 113.55 128.80 1s3p h SER 72 Ca -0.14 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1s3p h SER 72 Cb 1.12 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1s3p h SER 72 CO 0.19 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.50 1s3p n ASP 73 N -4.58 1.12 -4.76 4.97 5.68 -1.26 -4.85 116.55 112.88 1s3p n ASP 73 Ca 0.19 -1.79 -0.31 0.00 -0.50 0.00 0.00 54.79 52.38 1s3p n ASP 73 Cb 0.59 -0.11 0.10 0.00 -1.14 0.00 0.00 41.12 40.56 1s3p n ASP 73 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s3p s ALA 74 N -1.79 2.16 0.78 2.12 0.00 -0.69 -5.03 121.76 119.31 1s3p s ALA 74 Ca 0.23 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1s3p s ALA 74 Cb 0.12 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1s3p s ALA 74 CO 0.18 -1.88 1.14 -0.98 0.00 0.00 0.00 175.76 174.21 1s3p s ARG 75 N -4.88 2.19 0.34 0.00 1.70 -1.26 -4.63 118.95 112.42 1s3p s ARG 75 Ca 0.62 0.32 -0.07 0.00 -0.47 0.00 0.00 55.73 56.12 1s3p s ARG 75 Cb -0.18 -1.96 -0.06 0.00 -0.57 0.00 0.00 34.95 32.19 1s3p s ARG 75 CO 0.56 -1.47 0.65 -0.51 -1.08 0.00 0.00 175.30 173.44 1s3p s ASP 76 N -4.36 6.48 0.60 -2.89 1.01 -1.26 -4.36 116.67 111.88 1s3p s ASP 76 Ca 0.61 0.89 -0.16 0.00 0.71 0.00 0.00 52.55 54.59 1s3p s ASP 76 Cb -0.12 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1s3p s ASP 76 CO 0.51 -0.28 1.08 -0.76 0.21 0.00 0.00 175.17 175.93 1s3p s LEU 77 N -3.68 3.52 0.92 1.23 1.43 0.82 -5.02 118.68 117.89 1s3p s LEU 77 Ca 0.47 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1s3p s LEU 77 Cb -0.11 -4.55 0.14 0.00 0.03 0.00 0.00 46.19 41.71 1s3p s LEU 77 CO 0.31 -1.29 1.11 -0.94 0.23 0.00 0.00 176.35 175.76 1s3p s SER 78 N -2.55 3.39 0.27 2.29 1.04 -1.26 -4.79 113.70 112.09 1s3p s SER 78 Ca 0.66 1.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.25 1s3p s SER 78 Cb -0.18 -1.85 0.35 0.00 0.10 0.00 0.00 66.02 64.44 1s3p s SER 78 CO 0.36 -2.65 1.89 0.00 0.98 0.00 0.00 173.24 173.82 1s3p h ALA 79 N -1.56 1.27 -0.50 5.32 0.00 -1.99 -1.03 119.26 120.76 1s3p h ALA 79 Ca -0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1s3p h ALA 79 Cb 1.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1s3p h ALA 79 CO 0.59 0.59 0.17 0.87 0.00 0.00 0.00 179.25 181.47 1s3p h LYS 80 N 1.09 0.77 -0.68 0.00 1.57 -2.00 -1.39 116.57 115.94 1s3p h LYS 80 Ca 0.27 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1s3p h LYS 80 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1s3p h LYS 80 CO -0.04 0.71 0.22 0.93 -0.57 0.00 0.00 179.45 180.70 1s3p h GLU 81 N 0.68 1.05 -0.24 3.15 5.08 -1.79 -1.65 114.58 120.86 1s3p h GLU 81 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s3p h GLU 81 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1s3p h GLU 81 CO -0.01 0.90 0.10 1.15 -1.00 0.00 0.00 179.01 180.16 1s3p h THR 82 N 0.99 1.16 -0.65 1.13 2.02 -0.98 0.44 112.91 117.02 1s3p h THR 82 Ca 0.22 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1s3p h THR 82 Cb 0.29 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1s3p h THR 82 CO -0.01 0.16 0.32 0.50 0.37 0.00 0.00 175.52 176.87 1s3p h LYS 83 N 0.25 0.93 -0.57 6.66 3.64 -1.17 0.35 116.57 126.66 1s3p h LYS 83 Ca 0.08 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1s3p h LYS 83 Cb 0.16 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1s3p h LYS 83 CO -0.01 0.73 -0.07 1.15 -2.27 0.00 0.00 179.45 178.98 1s3p h THR 84 N 0.89 1.27 -0.29 1.00 2.02 -1.13 -1.62 112.91 115.05 1s3p h THR 84 Ca 0.22 -1.23 -0.18 0.00 0.77 0.00 0.00 66.41 65.99 1s3p h THR 84 Cb 0.10 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1s3p h THR 84 CO -0.03 0.44 -0.54 0.25 0.37 0.00 0.00 175.52 176.01 1s3p h LEU 85 N 0.94 0.97 -0.76 2.58 5.85 -0.68 -2.22 115.31 121.99 1s3p h LEU 85 Ca 0.15 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1s3p h LEU 85 Cb 0.64 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1s3p h LEU 85 CO 0.04 1.31 0.39 -0.03 -0.34 0.00 0.00 178.44 179.82 1s3p h MET 86 N 0.67 1.08 -0.83 1.25 4.05 -0.83 -0.55 114.93 119.78 1s3p h MET 86 Ca 0.02 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1s3p h MET 86 Cb 1.14 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.69 1s3p h MET 86 CO 0.12 0.83 0.54 0.00 0.23 0.00 0.00 176.91 178.62 1s3p h ALA 87 N 1.20 1.09 -0.56 0.39 0.00 -1.20 0.24 119.26 120.43 1s3p h ALA 87 Ca 0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1s3p h ALA 87 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1s3p h ALA 87 CO -0.04 0.37 -0.08 0.00 0.00 0.00 0.00 179.25 179.50 1s3p h ALA 88 N 1.34 0.76 0.00 0.00 0.00 -0.74 -3.32 119.26 117.30 1s3p h ALA 88 Ca 0.33 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1s3p h ALA 88 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1s3p h ALA 88 CO -0.11 0.66 -1.60 0.41 0.00 0.00 0.00 179.25 178.61 1s3p n GLY 89 N -0.30 -1.15 3.48 0.00 0.00 -0.28 -4.73 105.19 102.21 1s3p n GLY 89 Ca 0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1s3p n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s3p s ASP 90 N -5.62 6.53 0.00 1.61 2.15 0.84 -4.74 116.67 117.43 1s3p s ASP 90 Ca -0.04 -1.74 0.18 0.00 0.43 0.00 0.00 52.55 51.38 1s3p s ASP 90 Cb 0.09 -2.44 -0.14 0.00 -0.30 0.00 0.00 42.92 40.12 1s3p s ASP 90 CO 0.82 -1.23 0.80 0.29 -0.17 0.00 0.00 175.17 175.68 1s3p n LYS 91 N 7.29 1.30 -0.32 4.34 4.76 -1.26 -4.21 118.16 130.04 1s3p n LYS 91 Ca 0.22 -0.23 0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1s3p n LYS 91 Cb 0.49 -1.33 0.30 0.00 -1.84 0.00 0.00 35.03 32.64 1s3p n LYS 91 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1s3p n ASP 92 N -1.07 3.77 -0.09 4.39 5.68 -1.26 -5.00 116.55 122.97 1s3p n ASP 92 Ca 0.04 -2.00 -0.01 0.00 -0.50 0.00 0.00 54.79 52.33 1s3p n ASP 92 Cb 0.30 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 39.85 1s3p n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s3p n GLY 93 N 1.62 0.48 1.32 6.12 0.00 -1.26 -4.96 105.19 108.50 1s3p n GLY 93 Ca 0.23 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1s3p n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s3p n ASP 94 N 0.19 3.83 0.00 1.61 5.75 -1.26 -4.93 116.55 121.74 1s3p n ASP 94 Ca -0.01 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1s3p n ASP 94 Cb 0.12 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1s3p n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s3p n GLY 95 N 1.52 0.61 3.46 6.12 0.00 -1.26 -5.01 105.19 110.64 1s3p n GLY 95 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1s3p n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3p s LYS 96 N -0.08 1.75 -0.19 1.61 -2.85 -1.26 -4.42 119.74 114.31 1s3p s LYS 96 Ca 0.00 -1.66 -0.00 0.00 -1.00 0.00 0.00 55.97 53.31 1s3p s LYS 96 Cb 0.00 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1s3p s LYS 96 CO 0.00 -0.71 -0.15 0.42 0.10 0.00 0.00 175.35 175.01 1s3p s ILE 97 N -3.39 2.47 0.57 3.79 1.01 0.01 -4.48 121.20 121.18 1s3p s ILE 97 Ca 0.30 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1s3p s ILE 97 Cb 0.01 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1s3p s ILE 97 CO 0.17 0.51 0.79 -0.83 0.00 0.00 0.00 174.94 175.58 1s3p s GLY 98 N 1.28 1.82 0.31 6.18 0.00 -1.26 -0.07 107.32 115.59 1s3p s GLY 98 Ca 0.04 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1s3p s GLY 98 CO -0.09 -1.17 1.95 -0.24 0.00 0.00 0.00 173.10 173.55 1s3p h VAL 99 N 0.03 1.14 -0.34 1.40 3.04 -1.99 -0.19 116.25 119.33 1s3p h VAL 99 Ca -0.40 -0.35 -0.14 0.00 -1.01 0.00 0.00 66.70 64.80 1s3p h VAL 99 Cb 1.29 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1s3p h VAL 99 CO 0.48 0.19 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.53 1s3p h GLU 100 N 1.03 0.80 -0.76 4.17 4.39 -1.96 -1.71 114.58 120.53 1s3p h GLU 100 Ca 0.33 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1s3p h GLU 100 Cb 0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1s3p h GLU 100 CO -0.09 1.03 0.26 0.93 -1.16 0.00 0.00 179.01 179.97 1s3p h GLU 101 N 0.66 1.18 -0.39 2.33 5.08 -1.71 -1.71 114.58 120.01 1s3p h GLU 101 Ca 0.06 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1s3p h GLU 101 Cb 0.92 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1s3p h GLU 101 CO 0.08 0.99 0.22 0.35 -1.00 0.00 0.00 179.01 179.65 1s3p h PHE 102 N 1.13 0.52 -0.71 4.33 3.57 -0.80 -0.12 116.94 124.87 1s3p h PHE 102 Ca 0.25 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1s3p h PHE 102 Cb 0.29 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1s3p h PHE 102 CO 0.02 0.39 0.28 0.66 -2.23 0.00 0.00 178.31 177.44 1s3p h SER 103 N 0.50 0.96 -0.59 0.41 4.64 -1.03 -0.40 113.55 118.05 1s3p h SER 103 Ca 0.14 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1s3p h SER 103 Cb 0.03 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1s3p h SER 103 CO -0.02 0.86 0.21 0.74 -0.87 0.00 0.00 176.83 177.74 1s3p h THR 104 N 1.03 1.23 -0.38 2.95 2.02 -0.97 -1.33 112.91 117.46 1s3p h THR 104 Ca 0.24 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1s3p h THR 104 Cb 0.19 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1s3p h THR 104 CO -0.02 0.29 0.09 0.25 0.37 0.00 0.00 175.52 176.51 1s3p h LEU 105 N 0.82 0.58 -1.03 2.58 5.85 -0.56 -2.84 115.31 120.71 1s3p h LEU 105 Ca 0.19 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1s3p h LEU 105 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1s3p h LEU 105 CO -0.01 0.66 -0.17 0.58 -0.34 0.00 0.00 178.44 179.16 1s3p h VAL 106 N 0.47 1.24 0.00 1.05 2.07 -1.02 -2.75 116.25 117.32 1s3p h VAL 106 Ca 0.12 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1s3p h VAL 106 Cb 0.31 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1s3p h VAL 106 CO 0.00 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1s3p n ALA 107 N -2.48 1.66 -1.36 1.67 0.00 -0.51 -4.80 120.51 114.69 1s3p n ALA 107 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1s3p n ALA 107 Cb 0.35 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.59 1s3p n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s3p s GLU 108 N -3.11 2.44 0.00 0.00 2.02 -1.04 -5.08 118.70 113.93 1s3p s GLU 108 Ca 0.06 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.42 1s3p s GLU 108 Cb 0.09 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1s3p s GLU 108 CO 0.31 -1.53 0.00 0.43 0.02 0.00 0.00 175.26 174.49