#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bin s ALA 2 N 0.00 3.50 -0.14 3.52 0.00 -1.26 -4.29 121.76 123.08 1bin s ALA 2 Ca 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1bin s ALA 2 Cb 0.00 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.72 1bin s ALA 2 CO 0.00 -0.49 0.30 0.12 0.00 0.00 0.00 175.76 175.69 1bin s PHE 3 N 0.02 -0.48 0.87 0.00 5.36 -1.26 -5.09 117.98 117.40 1bin s PHE 3 Ca 0.55 1.05 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 1bin s PHE 3 Cb -0.35 0.05 0.16 0.00 -0.34 0.00 0.00 43.02 42.54 1bin s PHE 3 CO 0.38 -0.35 1.21 0.95 -1.46 0.00 0.00 175.22 175.95 1bin s THR 4 N 2.17 2.05 0.14 0.12 -4.23 -1.26 -4.46 115.64 110.17 1bin s THR 4 Ca -0.02 -0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1bin s THR 4 Cb -0.11 -2.91 -0.19 0.00 1.34 0.00 0.00 72.50 70.63 1bin s THR 4 CO -0.09 0.00 1.32 -0.08 -0.54 0.00 0.00 174.62 175.22 1bin h GLU 5 N -1.26 0.02 -0.47 3.99 4.81 -1.98 -2.35 114.58 117.34 1bin h GLU 5 Ca -0.43 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 1bin h GLU 5 Cb 1.26 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1bin h GLU 5 CO 0.44 0.96 -0.04 -0.22 -0.73 0.00 0.00 179.01 179.42 1bin h LYS 6 N 0.01 0.86 -0.65 1.92 1.63 -1.98 0.57 116.57 118.93 1bin h LYS 6 Ca -0.02 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.42 1bin h LYS 6 Cb 1.68 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 33.22 1bin h LYS 6 CO 0.13 0.93 0.13 1.96 -3.45 0.00 0.00 179.45 179.15 1bin h GLN 7 N 0.71 1.03 -0.44 1.90 4.20 -1.93 0.15 115.11 120.74 1bin h GLN 7 Ca 0.13 -0.25 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 1bin h GLN 7 Cb 0.56 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1bin h GLN 7 CO 0.03 0.93 -0.18 0.22 -0.67 0.00 0.00 178.83 179.16 1bin h ASP 8 N 0.98 0.92 0.81 1.46 3.58 -1.09 -2.51 116.42 120.57 1bin h ASP 8 Ca 0.20 -0.39 -0.07 0.00 0.42 0.00 0.00 57.03 57.19 1bin h ASP 8 Cb 0.38 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1bin h ASP 8 CO 0.01 1.10 -0.35 0.00 -2.88 0.00 0.00 179.24 177.12 1bin h ALA 9 N 0.84 1.02 -0.38 -0.78 0.00 -0.55 -2.24 119.26 117.18 1bin h ALA 9 Ca 0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1bin h ALA 9 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1bin h ALA 9 CO 0.06 0.44 -0.29 -0.07 0.00 0.00 0.00 179.25 179.39 1bin h LEU 10 N 0.00 0.91 -0.33 0.00 3.38 -0.45 -2.76 115.31 116.06 1bin h LEU 10 Ca -0.00 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 1bin h LEU 10 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1bin h LEU 10 CO 0.05 1.16 -0.54 -0.37 0.09 0.00 0.00 178.44 178.83 1bin h VAL 11 N 0.67 1.01 -0.21 1.22 -1.51 -1.29 -3.07 116.25 113.08 1bin h VAL 11 Ca 0.07 -2.17 -0.07 0.00 -1.23 0.00 0.00 66.70 63.30 1bin h VAL 11 Cb 0.86 2.32 -0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1bin h VAL 11 CO 0.08 0.53 -0.14 0.28 -1.23 0.00 0.00 177.57 177.08 1bin h SER 12 N 0.00 0.50 -0.50 4.19 0.02 -1.44 -0.50 113.55 115.82 1bin h SER 12 Ca -0.01 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1bin h SER 12 Cb 1.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1bin h SER 12 CO 0.07 0.83 0.09 -1.28 -1.14 0.00 0.00 176.83 175.40 1bin h SER 13 N 0.17 0.78 1.58 3.07 0.87 -1.57 -2.48 113.55 115.97 1bin h SER 13 Ca 0.04 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1bin h SER 13 Cb 0.66 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1bin h SER 13 CO 0.04 0.84 -0.04 0.77 -0.53 0.00 0.00 176.83 177.90 1bin h SER 14 N 0.70 0.00 -0.24 6.23 4.64 -1.52 -2.61 113.55 120.74 1bin h SER 14 Ca 0.15 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 1bin h SER 14 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1bin h SER 14 CO 0.01 0.04 -0.34 0.15 -0.87 0.00 0.00 176.83 175.82 1bin h PHE 15 N 0.00 0.89 -0.33 4.77 3.57 -0.91 -1.77 116.94 123.16 1bin h PHE 15 Ca -0.00 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1bin h PHE 15 Cb 0.84 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1bin h PHE 15 CO 0.00 0.99 0.04 0.93 -2.23 0.00 0.00 178.31 178.04 1bin h GLU 16 N 0.64 0.49 -0.04 1.11 4.39 -1.07 -1.23 114.58 118.86 1bin h GLU 16 Ca 0.07 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1bin h GLU 16 Cb 0.87 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1bin h GLU 16 CO 0.08 0.49 -0.66 0.00 -1.16 0.00 0.00 179.01 177.76 1bin h ALA 17 N 1.57 0.83 -0.30 3.43 0.00 -1.26 -2.40 119.26 121.14 1bin h ALA 17 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1bin h ALA 17 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bin h ALA 17 CO 0.00 0.78 0.06 0.35 0.00 0.00 0.00 179.25 180.44 1bin h PHE 18 N 0.11 0.52 0.00 0.00 3.57 -0.59 -2.53 116.94 118.01 1bin h PHE 18 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1bin h PHE 18 Cb 1.17 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1bin h PHE 18 CO 0.02 0.57 0.00 1.63 -2.23 0.00 0.00 178.31 178.29 1bin n LYS 19 N -4.65 0.15 0.27 1.11 5.02 -0.54 -1.98 118.16 117.55 1bin n LYS 19 Ca -0.02 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1bin n LYS 19 Cb 0.20 -1.90 0.73 0.00 -0.02 0.00 0.00 35.03 34.05 1bin n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bin h ALA 20 N 2.10 1.22 0.00 7.82 0.00 -0.97 -3.34 119.26 126.09 1bin h ALA 20 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1bin h ALA 20 Cb 0.13 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 1bin h ALA 20 CO 0.00 0.14 -0.36 -1.71 0.00 0.00 0.00 179.25 177.31 1bin n ASN 21 N -3.54 -2.36 -0.18 0.00 2.85 -0.84 -5.04 115.26 106.15 1bin n ASN 21 Ca -0.02 -3.11 0.27 0.00 -0.11 0.00 0.00 54.58 51.61 1bin n ASN 21 Cb 0.25 1.67 0.70 0.00 1.24 0.00 0.00 39.78 43.63 1bin n ASN 21 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1bin h ILE 22 N 2.55 0.57 0.14 -1.44 3.07 -1.67 -2.71 117.51 118.03 1bin h ILE 22 Ca -0.16 -0.02 -0.29 0.00 1.55 0.00 0.00 64.86 65.95 1bin h ILE 22 Cb 1.09 0.52 0.03 0.00 -0.27 0.00 0.00 36.82 38.20 1bin h ILE 22 CO 0.17 0.01 -1.21 1.55 -1.05 0.00 0.00 178.15 177.61 1bin h PRO 23 N 0.04 0.58 -0.06 0.16 0.13 -1.90 -1.96 132.00 129.00 1bin h PRO 23 Ca 0.42 -0.81 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1bin h PRO 23 Cb 1.62 0.27 -0.01 0.00 0.13 0.00 0.00 31.00 33.02 1bin h PRO 23 CO -0.03 1.37 -0.29 0.37 -0.23 0.00 0.00 178.00 179.19 1bin h GLN 24 N 0.18 0.11 0.00 0.86 4.15 -1.86 -1.58 115.11 116.97 1bin h GLN 24 Ca -0.19 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 1bin h GLN 24 Cb 1.90 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 1bin h GLN 24 CO 0.23 0.39 -0.65 1.88 -1.93 0.00 0.00 178.83 178.76 1bin h TYR 25 N 0.10 0.00 -0.01 3.99 0.05 -1.55 -2.54 116.97 117.01 1bin h TYR 25 Ca 0.01 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 1bin h TYR 25 Cb 0.57 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1bin h TYR 25 CO 0.00 0.42 -0.76 0.77 -1.05 0.00 0.00 178.16 177.55 1bin h SER 26 N 0.00 0.07 0.23 3.88 0.02 -0.91 -1.47 113.55 115.37 1bin h SER 26 Ca -0.03 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1bin h SER 26 Cb 1.35 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1bin h SER 26 CO 0.05 0.80 -0.11 0.58 -1.14 0.00 0.00 176.83 177.01 1bin h VAL 27 N 0.04 0.84 -0.40 2.27 2.07 -1.15 -1.96 116.25 117.95 1bin h VAL 27 Ca -0.01 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.13 1bin h VAL 27 Cb 1.33 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 1bin h VAL 27 CO 0.10 0.10 -0.19 0.58 0.02 0.00 0.00 177.57 178.18 1bin h VAL 28 N -0.55 0.42 0.50 2.57 2.07 -1.33 -1.73 116.25 118.21 1bin h VAL 28 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1bin h VAL 28 Cb 0.40 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1bin h VAL 28 CO 0.05 0.00 -0.51 0.15 0.02 0.00 0.00 177.57 177.28 1bin h PHE 29 N -0.12 -1.43 -0.43 1.57 3.57 -1.23 -2.46 116.94 116.42 1bin h PHE 29 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1bin h PHE 29 Cb 0.42 0.56 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bin h PHE 29 CO -0.43 -0.68 -0.04 1.88 -2.23 0.00 0.00 178.31 176.81 1bin h TYR 30 N -1.01 0.76 -0.83 0.41 0.05 -1.23 -2.27 116.97 112.86 1bin h TYR 30 Ca -0.06 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1bin h TYR 30 Cb 0.88 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1bin h TYR 30 CO -0.27 0.74 0.52 1.15 -1.05 0.00 0.00 178.16 179.25 1bin h THR 31 N 0.67 1.22 -0.66 -2.88 2.02 -1.36 -1.28 112.91 110.64 1bin h THR 31 Ca 0.13 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 1bin h THR 31 Cb 0.47 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1bin h THR 31 CO 0.02 0.23 0.15 0.28 0.37 0.00 0.00 175.52 176.57 1bin h SER 32 N 1.13 1.02 0.41 4.18 0.02 -1.15 -0.98 113.55 118.18 1bin h SER 32 Ca 0.30 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1bin h SER 32 Cb -0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.19 1bin h SER 32 CO -0.06 1.00 -0.20 0.40 -1.14 0.00 0.00 176.83 176.83 1bin h ILE 33 N 1.00 0.60 0.00 3.27 2.04 -0.83 -2.65 117.51 120.93 1bin h ILE 33 Ca 0.21 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1bin h ILE 33 Cb 0.38 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1bin h ILE 33 CO 0.00 0.02 -0.02 -0.07 0.00 0.00 0.00 178.15 178.09 1bin h LEU 34 N -0.62 0.00 -0.10 1.44 3.38 -1.22 0.56 115.31 118.75 1bin h LEU 34 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1bin h LEU 34 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bin h LEU 34 CO 0.09 0.02 -1.02 -0.08 0.09 0.00 0.00 178.44 177.54 1bin h GLU 35 N 0.00 0.26 -0.01 1.13 4.81 -0.84 -3.31 114.58 116.64 1bin h GLU 35 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1bin h GLU 35 Cb 0.21 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1bin h GLU 35 CO 0.00 1.09 -0.51 1.63 -0.73 0.00 0.00 179.01 180.49 1bin n LYS 36 N -3.62 1.92 -3.12 1.92 4.01 -0.97 -4.69 118.16 113.60 1bin n LYS 36 Ca -0.06 -0.40 -0.18 0.00 -0.51 0.00 0.00 58.31 57.17 1bin n LYS 36 Cb 0.89 -1.23 -0.05 0.00 -0.51 0.00 0.00 35.03 34.14 1bin n LYS 36 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bin n ALA 37 N -0.74 0.92 -0.32 7.82 0.00 0.15 -5.01 120.51 123.34 1bin n ALA 37 Ca 0.05 -2.30 0.05 0.00 0.00 0.00 0.00 53.44 51.24 1bin n ALA 37 Cb 0.28 -1.05 0.21 0.00 0.00 0.00 0.00 19.45 18.89 1bin n ALA 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1bin h PRO 38 N 5.19 0.80 -0.18 0.00 0.11 -1.79 -2.42 132.00 133.72 1bin h PRO 38 Ca 0.16 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.27 1bin h PRO 38 Cb 0.98 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1bin h PRO 38 CO 0.25 0.53 0.27 0.00 -0.21 0.00 0.00 178.00 178.83 1bin h ALA 39 N 1.51 1.71 -0.40 -0.75 0.00 -1.95 -2.86 119.26 116.52 1bin h ALA 39 Ca 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 1bin h ALA 39 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1bin h ALA 39 CO -0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.59 1bin h ALA 40 N 1.64 1.22 -1.13 0.00 0.00 -1.81 -3.08 119.26 116.09 1bin h ALA 40 Ca 0.09 -0.24 0.33 0.00 0.00 0.00 0.00 54.91 55.08 1bin h ALA 40 Cb 0.62 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1bin h ALA 40 CO -0.00 0.51 0.85 -0.22 0.00 0.00 0.00 179.25 180.39 1bin h LYS 41 N 0.61 0.00 0.00 0.00 1.63 -1.71 0.40 116.57 117.50 1bin h LYS 41 Ca 0.12 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1bin h LYS 41 Cb 0.42 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1bin h LYS 41 CO 0.02 0.00 -0.50 -0.44 -3.45 0.00 0.00 179.45 175.08 1bin h ASP 42 N 0.00 0.00 0.60 4.20 3.32 -1.77 -3.29 116.42 119.48 1bin h ASP 42 Ca 0.54 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.31 1bin h ASP 42 Cb 2.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.77 1bin h ASP 42 CO -0.01 0.50 -1.33 -0.07 -1.72 0.00 0.00 179.24 176.61 1bin h LEU 43 N 0.00 0.38 -9.01 1.55 3.38 -0.36 -3.44 115.31 107.80 1bin h LEU 43 Ca -0.00 -0.44 -0.61 0.00 0.09 0.00 0.00 57.88 56.92 1bin h LEU 43 Cb 1.31 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 1bin h LEU 43 CO 0.06 1.35 0.16 -0.36 0.09 0.00 0.00 178.44 179.74 1bin s PHE 44 N -2.65 3.30 0.11 1.13 0.08 -1.00 -4.95 117.98 114.00 1bin s PHE 44 Ca -0.05 0.84 0.18 0.00 0.12 0.00 0.00 56.93 58.02 1bin s PHE 44 Cb 0.07 -2.83 0.57 0.00 -0.57 0.00 0.00 43.02 40.25 1bin s PHE 44 CO 0.87 -0.30 1.68 0.66 -0.10 0.00 0.00 175.22 178.02 1bin h SER 45 N 7.83 0.00 0.76 1.36 4.64 -1.86 -3.00 113.55 123.27 1bin h SER 45 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1bin h SER 45 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1bin h SER 45 CO 0.77 0.40 -0.01 2.22 -0.87 0.00 0.00 176.83 179.34 1bin n PHE 46 N -3.46 0.00 0.14 4.77 1.16 -1.26 -2.79 117.46 116.01 1bin n PHE 46 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.68 1bin n PHE 46 Cb 0.55 -0.38 0.19 0.00 -1.61 0.00 0.00 39.48 38.23 1bin n PHE 46 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1bin n LEU 47 N -1.37 3.17 -0.33 5.98 4.77 -1.13 -4.51 117.00 123.57 1bin n LEU 47 Ca 0.11 -1.60 0.17 0.00 -0.03 0.00 0.00 56.01 54.66 1bin n LEU 47 Cb 0.29 -0.23 0.40 0.00 -2.33 0.00 0.00 43.42 41.54 1bin n LEU 47 CO 0.25 0.71 1.20 0.00 -1.33 0.00 0.00 177.39 178.22 1bin h ALA 48 N 3.54 1.89 -0.66 -1.18 0.00 -1.60 -0.53 119.26 120.72 1bin h ALA 48 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 1bin h ALA 48 Cb 0.85 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 1bin h ALA 48 CO 0.00 -0.27 0.27 0.09 0.00 0.00 0.00 179.25 179.34 1bin n ASN 49 N -4.72 3.70 0.00 0.00 4.13 -1.26 -5.07 115.26 112.03 1bin n ASN 49 Ca 0.24 -3.49 0.00 0.00 1.68 0.00 0.00 54.58 53.00 1bin n ASN 49 Cb 0.68 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1bin n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bin n GLY 50 N -0.80 -2.51 3.54 7.41 0.00 -0.21 -4.77 105.19 107.85 1bin n GLY 50 Ca 0.43 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1bin n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bin s VAL 51 N -0.48 4.24 -0.30 1.61 1.01 -1.26 -4.49 120.40 120.73 1bin s VAL 51 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1bin s VAL 51 Cb 0.00 -4.62 0.09 0.00 0.00 0.00 0.00 36.38 31.84 1bin s VAL 51 CO 0.00 -1.24 0.01 -0.62 0.00 0.00 0.00 175.10 173.26 1bin s ASP 52 N 2.96 4.44 0.66 3.32 2.15 -1.26 -5.01 116.67 123.93 1bin s ASP 52 Ca 0.34 -1.78 0.43 0.00 0.43 0.00 0.00 52.55 51.97 1bin s ASP 52 Cb -0.11 -1.42 2.38 0.00 -0.30 0.00 0.00 42.92 43.47 1bin s ASP 52 CO 0.20 -0.33 2.37 1.55 -0.17 0.00 0.00 175.17 178.79 1bin h PRO 53 N 7.77 0.00 -0.01 4.34 0.13 -1.94 -1.76 132.00 140.53 1bin h PRO 53 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1bin h PRO 53 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1bin h PRO 53 CO 0.48 0.00 -0.30 0.25 -0.23 0.00 0.00 178.00 178.20 1bin n THR 54 N -3.17 0.00 -2.60 1.56 -2.24 -1.26 -4.81 114.28 101.76 1bin n THR 54 Ca -0.03 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1bin n THR 54 Cb 0.07 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 1bin n THR 54 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bin s ASN 55 N -2.40 6.73 0.22 3.42 3.84 -0.66 -4.93 114.94 121.16 1bin s ASN 55 Ca 0.23 0.71 -0.09 0.00 0.21 0.00 0.00 52.86 53.92 1bin s ASN 55 Cb 0.19 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.67 1bin s ASN 55 CO 0.51 -1.12 1.70 -0.65 -2.79 0.00 0.00 177.10 174.74 1bin h PRO 56 N 8.86 0.24 -0.59 0.43 0.11 -1.87 -2.10 132.00 137.08 1bin h PRO 56 Ca -0.22 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1bin h PRO 56 Cb 1.06 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1bin h PRO 56 CO 1.09 0.16 0.35 0.87 -0.21 0.00 0.00 178.00 180.26 1bin h LYS 57 N 0.25 0.79 0.09 1.05 1.57 -1.95 0.20 116.57 118.56 1bin h LYS 57 Ca 0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1bin h LYS 57 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1bin h LYS 57 CO -0.44 0.56 -0.04 1.25 -0.57 0.00 0.00 179.45 180.20 1bin h LEU 58 N 0.80 -0.10 -0.28 2.94 6.46 -1.69 -2.54 115.31 120.90 1bin h LEU 58 Ca 0.21 -0.29 -0.08 0.00 -0.12 0.00 0.00 57.88 57.59 1bin h LEU 58 Cb -0.02 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1bin h LEU 58 CO -0.04 0.25 -0.16 0.71 -0.62 0.00 0.00 178.44 178.58 1bin h THR 59 N -0.47 1.30 0.00 1.05 1.35 -1.44 -2.30 112.91 112.40 1bin h THR 59 Ca -0.01 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 1bin h THR 59 Cb 0.39 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1bin h THR 59 CO 0.02 0.40 -0.07 1.23 -0.25 0.00 0.00 175.52 176.85 1bin h GLY 60 N 0.34 0.00 0.45 5.82 0.00 -0.69 -2.18 103.07 106.81 1bin h GLY 60 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1bin h GLY 60 CO 0.05 0.00 -0.75 0.84 0.00 0.00 0.00 176.54 176.67 1bin h HIS 61 N 0.00 0.36 -0.39 5.60 6.17 -1.28 -2.86 115.15 122.75 1bin h HIS 61 Ca -0.00 -0.26 -0.02 0.00 0.71 0.00 0.00 60.37 60.80 1bin h HIS 61 Cb 0.18 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.08 1bin h HIS 61 CO 0.00 1.29 0.15 0.00 0.71 0.00 0.00 177.93 180.08 1bin h ALA 62 N 0.00 1.54 -0.23 5.26 0.00 -1.27 -0.11 119.26 124.46 1bin h ALA 62 Ca -0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1bin h ALA 62 Cb 1.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bin h ALA 62 CO 0.07 0.36 -0.29 1.49 0.00 0.00 0.00 179.25 180.88 1bin h GLU 63 N 0.55 0.59 -0.06 0.00 4.22 -1.48 0.44 114.58 118.84 1bin h GLU 63 Ca 0.13 -0.34 -0.06 0.00 0.08 0.00 0.00 59.36 59.18 1bin h GLU 63 Cb 0.12 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1bin h GLU 63 CO -0.01 0.94 -0.24 -0.22 -2.18 0.00 0.00 179.01 177.29 1bin h LYS 64 N 0.28 0.10 0.00 1.92 3.64 -1.25 -0.81 116.57 120.46 1bin h LYS 64 Ca 0.03 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1bin h LYS 64 Cb 0.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1bin h LYS 64 CO 0.07 0.35 -0.18 1.25 -2.27 0.00 0.00 179.45 178.67 1bin h LEU 65 N 0.10 0.15 -1.52 5.20 6.46 -0.53 -2.61 115.31 122.56 1bin h LEU 65 Ca 0.02 -0.80 -0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1bin h LEU 65 Cb 0.49 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1bin h LEU 65 CO 0.03 0.93 0.25 -0.26 -0.62 0.00 0.00 178.44 178.77 1bin h PHE 66 N -0.61 0.55 -0.30 1.25 -1.00 -0.79 -2.12 116.94 113.92 1bin h PHE 66 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1bin h PHE 66 Cb 0.96 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1bin h PHE 66 CO 0.19 0.38 0.06 0.00 -1.61 0.00 0.00 178.31 177.33 1bin h ALA 67 N 1.69 0.40 -0.89 2.45 0.00 -1.21 -1.31 119.26 120.39 1bin h ALA 67 Ca 0.15 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bin h ALA 67 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1bin h ALA 67 CO -0.03 0.08 0.58 -0.07 0.00 0.00 0.00 179.25 179.81 1bin h LEU 68 N 0.32 0.97 -0.59 0.00 -0.00 -1.01 0.14 115.31 115.14 1bin h LEU 68 Ca 0.09 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 1bin h LEU 68 Cb 0.32 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1bin h LEU 68 CO 0.00 0.68 -0.38 0.58 -0.00 0.00 0.00 178.44 179.32 1bin h VAL 69 N 1.13 0.77 -0.29 1.22 2.07 -1.08 -0.82 116.25 119.25 1bin h VAL 69 Ca 0.35 -1.68 -0.14 0.00 0.82 0.00 0.00 66.70 66.04 1bin h VAL 69 Cb -0.02 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1bin h VAL 69 CO -0.10 0.37 -0.38 -0.09 0.02 0.00 0.00 177.57 177.40 1bin h ARG 70 N 0.00 0.76 -0.76 1.57 1.12 -0.53 -2.66 114.38 113.89 1bin h ARG 70 Ca -0.00 -0.44 -0.04 0.00 -1.11 0.00 0.00 59.98 58.39 1bin h ARG 70 Cb 1.05 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 31.01 1bin h ARG 70 CO 0.05 1.06 0.31 0.22 -3.11 0.00 0.00 179.97 178.51 1bin h ASP 71 N 0.52 1.04 -0.81 -3.80 3.58 -0.72 -1.98 116.42 114.25 1bin h ASP 71 Ca 0.04 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.38 1bin h ASP 71 Cb 0.96 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 1bin h ASP 71 CO 0.09 0.92 0.49 -1.28 -2.88 0.00 0.00 179.24 176.58 1bin h SER 72 N 1.09 0.77 -0.76 2.28 0.87 -1.07 -0.26 113.55 116.47 1bin h SER 72 Ca 0.25 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1bin h SER 72 Cb 0.20 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1bin h SER 72 CO -0.02 0.49 0.37 0.00 -0.53 0.00 0.00 176.83 177.14 1bin h ALA 73 N 1.39 1.20 -0.19 6.23 0.00 -1.03 -0.37 119.26 126.49 1bin h ALA 73 Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1bin h ALA 73 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bin h ALA 73 CO -0.18 0.61 0.07 0.78 0.00 0.00 0.00 179.25 180.53 1bin h GLY 74 N 1.13 0.32 1.21 0.00 0.00 -0.62 -1.57 103.07 103.54 1bin h GLY 74 Ca 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1bin h GLY 74 CO -0.03 0.17 0.11 1.46 0.00 0.00 0.00 176.54 178.24 1bin h GLN 75 N 0.15 0.98 -0.23 4.80 4.20 -0.80 -2.38 115.11 121.83 1bin h GLN 75 Ca 0.06 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1bin h GLN 75 Cb 0.20 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1bin h GLN 75 CO -0.00 0.89 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.82 1bin h LEU 76 N 0.92 0.37 -0.63 1.46 3.38 -0.82 -1.80 115.31 118.19 1bin h LEU 76 Ca 0.19 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1bin h LEU 76 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1bin h LEU 76 CO 0.01 0.55 -0.27 0.50 0.09 0.00 0.00 178.44 179.32 1bin h LYS 77 N 0.35 0.78 0.00 1.13 3.64 -0.80 0.17 116.57 121.84 1bin h LYS 77 Ca 0.07 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1bin h LYS 77 Cb 0.49 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1bin h LYS 77 CO 0.03 0.96 -0.45 0.00 -2.27 0.00 0.00 179.45 177.73 1bin h ALA 78 N 1.02 0.79 0.00 5.00 0.00 -1.15 -3.41 119.26 121.51 1bin h ALA 78 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bin h ALA 78 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1bin h ALA 78 CO 0.07 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 1bin n SER 79 N -2.98 0.00 -0.48 0.00 3.41 -0.70 -5.00 113.62 107.87 1bin n SER 79 Ca 0.02 -0.81 -0.06 0.00 -0.26 0.00 0.00 58.87 57.76 1bin n SER 79 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 1bin n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bin n GLY 80 N 0.00 0.82 3.19 5.00 0.00 0.58 -4.80 105.19 109.98 1bin n GLY 80 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1bin n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bin s THR 81 N -2.08 0.09 -0.02 2.61 -1.32 -1.26 0.73 115.64 114.39 1bin s THR 81 Ca 0.00 -0.71 -0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1bin s THR 81 Cb 0.00 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 1bin s THR 81 CO 0.00 -0.39 0.03 -0.69 -2.21 0.00 0.00 174.62 171.36 1bin s VAL 82 N -1.95 -0.04 0.07 5.08 1.01 -1.26 -3.59 120.40 119.72 1bin s VAL 82 Ca -0.10 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1bin s VAL 82 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1bin s VAL 82 CO -0.00 0.05 -0.24 0.54 0.00 0.00 0.00 175.10 175.45 1bin s VAL 83 N 0.68 1.98 0.11 2.92 0.11 -1.26 -4.78 120.40 120.16 1bin s VAL 83 Ca -0.06 -1.44 0.06 0.00 -2.93 0.00 0.00 61.98 57.61 1bin s VAL 83 Cb -0.08 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1bin s VAL 83 CO -0.02 0.20 -0.03 0.00 -3.33 0.00 0.00 175.10 171.92 1bin s ALA 84 N -0.91 3.16 0.61 1.54 0.00 -1.26 -5.02 121.76 119.87 1bin s ALA 84 Ca 0.10 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1bin s ALA 84 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1bin s ALA 84 CO 0.03 0.64 1.25 0.34 0.00 0.00 0.00 175.76 178.02 1bin s ASP 85 N -2.39 5.01 0.26 0.00 -1.08 -1.26 -4.82 116.67 112.40 1bin s ASP 85 Ca 0.25 2.49 -0.05 0.00 -0.52 0.00 0.00 52.55 54.72 1bin s ASP 85 Cb -0.11 -2.61 0.32 0.00 -1.46 0.00 0.00 42.92 39.06 1bin s ASP 85 CO 0.17 -1.72 1.93 0.00 0.52 0.00 0.00 175.17 176.07 1bin h ALA 86 N 0.83 1.31 0.03 3.66 0.00 -2.00 -1.22 119.26 121.87 1bin h ALA 86 Ca -0.51 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1bin h ALA 86 Cb 1.31 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bin h ALA 86 CO 0.55 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 180.35 1bin h ALA 87 N 1.40 -0.11 -0.79 0.00 0.00 -1.91 -0.60 119.26 117.24 1bin h ALA 87 Ca 0.34 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1bin h ALA 87 Cb -0.12 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1bin h ALA 87 CO -0.07 -0.58 0.49 1.25 0.00 0.00 0.00 179.25 180.34 1bin h LEU 88 N -0.15 0.79 -0.72 0.00 5.85 -1.73 -1.04 115.31 118.31 1bin h LEU 88 Ca 0.02 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1bin h LEU 88 Cb 0.17 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1bin h LEU 88 CO -0.06 0.53 0.13 1.23 -0.34 0.00 0.00 178.44 179.94 1bin h GLY 89 N 0.94 1.20 1.85 3.75 0.00 -0.95 -3.16 103.07 106.70 1bin h GLY 89 Ca 0.33 -0.78 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 1bin h GLY 89 CO -0.14 0.72 -1.04 1.48 0.00 0.00 0.00 176.54 177.57 1bin h SER 90 N 1.05 0.17 -0.97 0.19 4.64 -0.45 -2.45 113.55 115.72 1bin h SER 90 Ca 0.21 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1bin h SER 90 Cb 0.41 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 1bin h SER 90 CO 0.01 1.09 0.64 1.62 -0.87 0.00 0.00 176.83 179.32 1bin h VAL 91 N 0.04 1.14 0.09 0.95 3.04 -1.23 -2.00 116.25 118.28 1bin h VAL 91 Ca -0.05 -0.41 -0.26 0.00 -1.01 0.00 0.00 66.70 64.97 1bin h VAL 91 Cb 1.76 -0.16 0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1bin h VAL 91 CO 0.15 0.22 -1.14 0.45 -1.01 0.00 0.00 177.57 176.23 1bin h HIS 92 N 1.20 0.56 -0.03 3.17 3.86 -1.58 -3.25 115.15 119.07 1bin h HIS 92 Ca 0.40 -0.37 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1bin h HIS 92 Cb 0.07 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1bin h HIS 92 CO -0.00 1.25 0.56 0.00 0.86 0.00 0.00 177.93 180.60 1bin h ALA 93 N 0.62 1.60 -0.54 2.45 0.00 -0.85 -2.96 119.26 119.57 1bin h ALA 93 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bin h ALA 93 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1bin h ALA 93 CO 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1bin n GLN 94 N -2.80 0.00 0.00 0.00 10.64 -1.21 -4.99 117.38 119.02 1bin n GLN 94 Ca -0.01 0.78 0.00 0.00 -1.83 0.00 0.00 57.00 55.94 1bin n GLN 94 Cb 0.60 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 1bin n GLN 94 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1bin n LYS 95 N -2.40 0.00 0.00 2.61 2.85 -1.12 -4.97 118.16 115.14 1bin n LYS 95 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1bin n LYS 95 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1bin n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bin n ALA 96 N 0.00 1.10 -2.83 0.58 0.00 -1.26 -2.96 120.51 115.14 1bin n ALA 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bin n ALA 96 Cb 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1bin n ALA 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bin s VAL 97 N -1.65 4.65 0.45 0.00 1.01 -1.26 -4.74 120.40 118.85 1bin s VAL 97 Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.08 1bin s VAL 97 Cb 0.00 -4.94 0.02 0.00 0.00 0.00 0.00 36.38 31.45 1bin s VAL 97 CO 0.00 -1.70 0.57 0.42 0.00 0.00 0.00 175.10 174.39 1bin s THR 98 N 2.78 2.75 0.17 3.92 -4.23 -1.16 -4.98 115.64 114.90 1bin s THR 98 Ca 0.42 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.71 1bin s THR 98 Cb -0.02 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 71.06 1bin s THR 98 CO -0.02 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.33 1bin h ASP 99 N 0.63 0.58 -0.02 3.99 3.32 -1.92 -2.62 116.42 120.38 1bin h ASP 99 Ca -0.38 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1bin h ASP 99 Cb 1.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1bin h ASP 99 CO 0.47 0.42 0.00 -0.65 -1.72 0.00 0.00 179.24 177.76 1bin h PRO 100 N 0.68 0.06 -0.34 3.56 0.11 -1.96 -1.63 132.00 132.49 1bin h PRO 100 Ca 0.19 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.17 1bin h PRO 100 Cb -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1bin h PRO 100 CO -0.05 0.07 -0.31 1.96 -0.21 0.00 0.00 178.00 179.46 1bin h GLN 101 N 0.06 0.72 -0.43 1.05 1.08 -1.77 -2.08 115.11 113.75 1bin h GLN 101 Ca 0.02 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1bin h GLN 101 Cb 0.04 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1bin h GLN 101 CO -0.00 0.94 0.23 0.74 -0.95 0.00 0.00 178.83 179.79 1bin h PHE 102 N 0.61 0.56 -0.22 2.96 0.04 -1.00 -2.06 116.94 117.84 1bin h PHE 102 Ca 0.07 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.65 1bin h PHE 102 Cb 0.83 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1bin h PHE 102 CO 0.04 0.40 -0.60 0.28 -0.60 0.00 0.00 178.31 177.83 1bin h VAL 103 N 0.59 1.29 -0.17 -0.55 2.07 -1.30 -2.18 116.25 116.00 1bin h VAL 103 Ca 0.15 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.91 1bin h VAL 103 Cb 0.02 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1bin h VAL 103 CO -0.03 0.58 -0.10 0.58 0.02 0.00 0.00 177.57 178.62 1bin h VAL 104 N 0.53 0.69 0.00 2.57 2.07 -0.99 -1.34 116.25 119.77 1bin h VAL 104 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1bin h VAL 104 Cb 1.22 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1bin h VAL 104 CO 0.13 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 178.00 1bin h VAL 105 N -0.10 1.16 -0.34 2.57 2.07 -1.41 -0.82 116.25 119.37 1bin h VAL 105 Ca 0.10 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1bin h VAL 105 Cb 0.25 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1bin h VAL 105 CO -0.23 0.29 -0.03 0.50 0.02 0.00 0.00 177.57 178.11 1bin h LYS 106 N 0.00 0.62 -0.36 1.57 3.64 -0.71 -0.54 116.57 120.79 1bin h LYS 106 Ca -0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1bin h LYS 106 Cb 0.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1bin h LYS 106 CO 0.04 0.76 0.18 1.49 -2.27 0.00 0.00 179.45 179.66 1bin h GLU 107 N 0.42 0.52 -0.32 1.90 4.81 -0.60 0.16 114.58 121.47 1bin h GLU 107 Ca 0.09 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1bin h GLU 107 Cb 0.51 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1bin h GLU 107 CO 0.02 0.45 -0.04 0.00 -0.73 0.00 0.00 179.01 178.72 1bin h ALA 108 N 1.04 0.25 -0.16 2.92 0.00 -1.08 -0.18 119.26 122.06 1bin h ALA 108 Ca 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bin h ALA 108 Cb 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bin h ALA 108 CO -0.02 -0.43 0.09 1.25 0.00 0.00 0.00 179.25 180.14 1bin h LEU 109 N 0.05 0.19 -1.21 0.00 5.85 -0.74 -1.72 115.31 117.72 1bin h LEU 109 Ca 0.15 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1bin h LEU 109 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1bin h LEU 109 CO -0.29 0.19 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.85 1bin h LEU 110 N 0.18 0.43 -1.40 2.25 3.38 -0.80 -1.97 115.31 117.37 1bin h LEU 110 Ca 0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1bin h LEU 110 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1bin h LEU 110 CO -0.01 0.55 -0.22 0.50 0.09 0.00 0.00 178.44 179.35 1bin h LYS 111 N 0.43 0.00 0.05 1.13 3.64 -0.64 -2.46 116.57 118.72 1bin h LYS 111 Ca 0.09 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 1bin h LYS 111 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1bin h LYS 111 CO 0.02 0.22 -1.24 1.15 -2.27 0.00 0.00 179.45 177.33 1bin h THR 112 N 0.00 1.46 -0.10 1.00 2.02 -0.59 -2.73 112.91 113.96 1bin h THR 112 Ca -0.00 -3.14 -0.17 0.00 0.77 0.00 0.00 66.41 63.87 1bin h THR 112 Cb 0.61 2.80 0.01 0.00 -1.74 0.00 0.00 68.15 69.83 1bin h THR 112 CO 0.03 0.87 -0.58 0.40 0.37 0.00 0.00 175.52 176.60 1bin h ILE 113 N 0.03 1.35 -0.53 3.11 1.08 -1.34 -1.85 117.51 119.37 1bin h ILE 113 Ca -0.12 -1.88 0.04 0.00 -0.39 0.00 0.00 64.86 62.51 1bin h ILE 113 Cb 1.89 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 37.78 1bin h ILE 113 CO 0.15 0.57 0.27 0.50 -0.69 0.00 0.00 178.15 178.95 1bin h LYS 114 N 0.20 0.51 -0.52 2.37 3.64 -1.51 0.27 116.57 121.53 1bin h LYS 114 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1bin h LYS 114 Cb 1.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1bin h LYS 114 CO 0.12 0.34 0.34 0.00 -2.27 0.00 0.00 179.45 177.98 1bin h ALA 115 N 1.28 0.66 -0.16 5.00 0.00 -1.47 -2.24 119.26 122.33 1bin h ALA 115 Ca 0.23 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1bin h ALA 115 Cb 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bin h ALA 115 CO -0.16 0.12 -0.73 0.00 0.00 0.00 0.00 179.25 178.48 1bin h ALA 116 N 1.18 0.40 0.00 0.00 0.00 -0.71 -3.33 119.26 116.80 1bin h ALA 116 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1bin h ALA 116 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bin h ALA 116 CO -0.04 0.70 -0.14 1.33 0.00 0.00 0.00 179.25 181.10 1bin n VAL 117 N -3.93 0.11 0.00 0.00 0.24 0.88 -4.87 118.33 110.77 1bin n VAL 117 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1bin n VAL 117 Cb 0.72 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1bin n VAL 117 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bin n GLY 118 N 1.46 3.47 0.25 7.63 0.00 -0.85 -2.27 105.19 114.88 1bin n GLY 118 Ca 0.06 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1bin n GLY 118 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bin h ASP 119 N 0.00 0.00 0.00 1.61 3.32 -1.94 -2.95 116.42 116.47 1bin h ASP 119 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bin h ASP 119 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bin h ASP 119 CO 0.00 0.16 0.00 0.29 -1.72 0.00 0.00 179.24 177.97 1bin n LYS 120 N -3.73 0.71 -2.62 3.56 4.01 -0.96 -4.83 118.16 114.29 1bin n LYS 120 Ca -0.02 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.39 1bin n LYS 120 Cb 0.27 -1.09 -0.05 0.00 -0.51 0.00 0.00 35.03 33.65 1bin n LYS 120 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1bin s TRP 121 N -1.75 3.73 0.16 2.13 -0.11 -1.12 -4.97 118.94 117.01 1bin s TRP 121 Ca 0.00 1.79 -0.24 0.00 1.22 0.00 0.00 56.10 58.88 1bin s TRP 121 Cb 0.00 -3.11 0.06 0.00 -1.50 0.00 0.00 33.47 28.92 1bin s TRP 121 CO 0.00 -0.08 0.71 -1.54 -4.62 0.00 0.00 176.95 171.42 1bin s SER 122 N -1.13 -0.43 0.33 5.86 1.04 -1.26 -5.03 113.70 113.09 1bin s SER 122 Ca 0.45 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1bin s SER 122 Cb -0.27 0.59 0.68 0.00 0.10 0.00 0.00 66.02 67.11 1bin s SER 122 CO 0.35 -1.00 1.91 -0.78 0.98 0.00 0.00 173.24 174.70 1bin h ASP 123 N 2.00 0.76 -0.49 7.02 3.58 -1.99 -0.94 116.42 126.36 1bin h ASP 123 Ca -0.28 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 1bin h ASP 123 Cb 1.28 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 1bin h ASP 123 CO 0.32 0.45 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.73 1bin h GLU 124 N 0.84 0.95 -0.51 0.28 5.08 -1.98 0.07 114.58 119.32 1bin h GLU 124 Ca 0.39 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1bin h GLU 124 Cb 0.40 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1bin h GLU 124 CO -0.16 0.98 -0.07 1.25 -1.00 0.00 0.00 179.01 180.01 1bin h LEU 125 N 0.86 0.95 0.40 1.33 5.85 -1.72 -1.71 115.31 121.27 1bin h LEU 125 Ca 0.14 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1bin h LEU 125 Cb 0.61 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1bin h LEU 125 CO 0.04 1.06 -0.23 -1.28 -0.34 0.00 0.00 178.44 177.69 1bin h SER 126 N 0.82 -0.57 -0.93 1.25 0.87 -0.87 -2.81 113.55 111.31 1bin h SER 126 Ca 0.14 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.85 1bin h SER 126 Cb 0.62 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.66 1bin h SER 126 CO 0.04 -0.37 0.55 -0.09 -0.53 0.00 0.00 176.83 176.43 1bin h ARG 127 N -0.60 0.84 -0.61 2.24 9.65 -0.96 -1.14 114.38 123.81 1bin h ARG 127 Ca -0.05 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 1bin h ARG 127 Cb 0.48 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 1bin h ARG 127 CO 0.06 0.56 0.16 0.00 2.80 0.00 0.00 179.97 183.54 1bin h ALA 128 N 1.52 1.15 -0.10 2.80 0.00 -1.06 -2.60 119.26 120.97 1bin h ALA 128 Ca 0.47 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 1bin h ALA 128 Cb 0.50 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1bin h ALA 128 CO -0.28 0.58 -0.87 -1.49 0.00 0.00 0.00 179.25 177.19 1bin h TRP 129 N 0.90 1.04 0.02 0.00 4.06 -1.16 -3.04 115.95 117.77 1bin h TRP 129 Ca 0.20 -0.50 0.02 0.00 2.06 0.00 0.00 58.89 60.67 1bin h TRP 129 Cb 0.30 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1bin h TRP 129 CO 0.02 1.33 -0.13 0.93 -3.56 0.00 0.00 178.44 177.03 1bin h GLU 130 N 0.48 -0.22 -0.55 0.49 5.08 -1.13 0.52 114.58 119.25 1bin h GLU 130 Ca -0.08 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1bin h GLU 130 Cb 1.51 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1bin h GLU 130 CO 0.18 -0.15 0.04 0.28 -1.00 0.00 0.00 179.01 178.35 1bin h VAL 131 N -0.23 1.25 -0.57 3.13 2.07 -1.59 0.13 116.25 120.44 1bin h VAL 131 Ca 0.04 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1bin h VAL 131 Cb 0.28 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1bin h VAL 131 CO -0.11 0.37 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1bin h ALA 132 N 1.19 0.77 -0.08 1.67 0.00 -1.34 -1.28 119.26 120.19 1bin h ALA 132 Ca 0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1bin h ALA 132 Cb 0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bin h ALA 132 CO 0.02 0.63 -0.09 -0.92 0.00 0.00 0.00 179.25 178.89 1bin h TYR 133 N 0.92 0.25 -0.23 0.00 5.03 -0.73 -2.59 116.97 119.62 1bin h TYR 133 Ca 0.16 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.35 1bin h TYR 133 Cb 0.59 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 1bin h TYR 133 CO 0.04 0.65 -0.04 -0.44 -1.32 0.00 0.00 178.16 177.06 1bin h ASP 134 N -0.22 0.33 0.33 -2.11 3.32 -0.69 -0.88 116.42 116.50 1bin h ASP 134 Ca 0.01 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1bin h ASP 134 Cb 0.62 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1bin h ASP 134 CO 0.02 0.42 -0.79 -0.33 -1.72 0.00 0.00 179.24 176.84 1bin h GLU 135 N 0.34 0.37 0.00 3.56 4.39 -1.21 -3.04 114.58 118.99 1bin h GLU 135 Ca 0.08 -0.33 -0.16 0.00 0.34 0.00 0.00 59.36 59.29 1bin h GLU 135 Cb 0.29 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1bin h GLU 135 CO 0.01 0.99 -0.76 1.25 -1.16 0.00 0.00 179.01 179.34 1bin h LEU 136 N 0.24 0.00 -0.30 1.33 5.85 -1.04 -2.55 115.31 118.83 1bin h LEU 136 Ca -0.04 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1bin h LEU 136 Cb 1.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1bin h LEU 136 CO 0.13 0.76 -0.15 0.00 -0.34 0.00 0.00 178.44 178.84 1bin h ALA 137 N 1.24 0.42 -0.47 1.25 0.00 -1.20 0.10 119.26 120.61 1bin h ALA 137 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1bin h ALA 137 Cb 1.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1bin h ALA 137 CO 0.10 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1bin h ALA 138 N 0.76 1.13 -0.25 0.00 0.00 -1.58 -1.18 119.26 118.14 1bin h ALA 138 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1bin h ALA 138 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bin h ALA 138 CO 0.04 0.56 -0.42 0.00 0.00 0.00 0.00 179.25 179.43 1bin h ALA 139 N 1.28 0.80 -0.28 0.00 0.00 -1.28 -2.01 119.26 117.77 1bin h ALA 139 Ca 0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1bin h ALA 139 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bin h ALA 139 CO 0.02 0.65 -0.16 0.82 0.00 0.00 0.00 179.25 180.59 1bin h ILE 140 N 0.49 1.30 0.00 0.00 2.04 -0.67 -1.74 117.51 118.93 1bin h ILE 140 Ca 0.04 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1bin h ILE 140 Cb 0.94 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1bin h ILE 140 CO 0.08 0.40 -0.17 0.11 0.00 0.00 0.00 178.15 178.57 1bin h LYS 141 N 0.33 0.00 -0.05 2.37 1.57 -1.20 -2.05 116.57 117.55 1bin h LYS 141 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1bin h LYS 141 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1bin h LYS 141 CO 0.05 0.17 0.00 1.17 -0.57 0.00 0.00 179.45 180.27 1bin n LYS 142 N -3.67 1.92 0.00 3.15 3.00 -0.76 -5.09 118.16 116.71 1bin n LYS 142 Ca -0.01 -1.35 0.10 0.00 -0.00 0.00 0.00 58.31 57.05 1bin n LYS 142 Cb 0.29 -1.47 0.08 0.00 0.00 0.00 0.00 35.03 33.94 1bin n LYS 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40