#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w n ALA 13 N 0.00 3.00 -2.84 4.61 0.00 -1.26 -4.96 120.51 119.06 2b1w n ALA 13 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2b1w n ALA 13 Cb 0.00 0.01 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2b1w n ALA 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2b1w n MET 14 N -2.52 1.06 -0.10 0.00 1.56 -1.26 -4.68 117.12 111.18 2b1w n MET 14 Ca 0.00 -2.48 -0.18 0.00 -0.27 0.00 0.00 57.70 54.77 2b1w n MET 14 Cb 0.00 -1.04 -0.10 0.00 2.15 0.00 0.00 33.22 34.23 2b1w n MET 14 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2b1w h GLU 15 N 2.80 0.00 0.00 2.12 3.07 -1.95 -3.48 114.58 117.13 2b1w h GLU 15 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2b1w h GLU 15 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2b1w h GLU 15 CO 0.24 0.86 0.00 0.43 -1.40 0.00 0.00 179.01 179.14 2b1w n SER 16 N -4.48 -0.07 -2.90 1.42 7.64 -1.24 -5.04 113.62 108.94 2b1w n SER 16 Ca -0.26 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.58 2b1w n SER 16 Cb 0.59 0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 2b1w n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b1w n HIS 17 N -2.67 -2.19 0.04 1.43 1.44 0.45 -4.82 115.22 108.90 2b1w n HIS 17 Ca 0.00 -2.47 -0.02 0.00 -2.01 0.00 0.00 57.72 53.22 2b1w n HIS 17 Cb 0.00 0.90 -0.01 0.00 0.12 0.00 0.00 29.99 31.00 2b1w n HIS 17 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2b1w h PRO 18 N 3.77 -0.15 -0.02 -1.40 0.11 -1.78 -3.09 132.00 129.44 2b1w h PRO 18 Ca -0.06 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 2b1w h PRO 18 Cb 0.99 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2b1w h PRO 18 CO 0.35 -0.10 -0.50 0.45 -0.21 0.00 0.00 178.00 177.99 2b1w h HIS 19 N -0.58 0.06 -0.24 0.65 3.86 -1.83 -2.52 115.15 114.56 2b1w h HIS 19 Ca -0.02 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2b1w h HIS 19 Cb 0.12 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 2b1w h HIS 19 CO 0.02 0.54 -0.00 0.82 0.86 0.00 0.00 177.93 180.17 2b1w h ILE 20 N 0.04 0.83 -0.28 2.45 2.04 -1.91 -0.75 117.51 119.93 2b1w h ILE 20 Ca -0.00 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 2b1w h ILE 20 Cb 0.89 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2b1w h ILE 20 CO 0.07 0.01 -0.31 1.56 0.00 0.00 0.00 178.15 179.48 2b1w h GLN 21 N 0.07 0.58 -0.06 2.37 1.08 -1.43 -3.07 115.11 114.66 2b1w h GLN 21 Ca 0.11 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2b1w h GLN 21 Cb 0.14 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2b1w h GLN 21 CO -0.19 0.82 0.01 1.37 -0.95 0.00 0.00 178.83 179.88 2b1w h LEU 22 N 0.50 -0.01 -0.55 1.46 8.10 -0.85 -1.93 115.31 122.03 2b1w h LEU 22 Ca 0.06 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 2b1w h LEU 22 Cb 0.78 0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.99 2b1w h LEU 22 CO 0.06 0.01 0.31 -0.07 -4.11 0.00 0.00 178.44 174.64 2b1w h LEU 23 N 0.03 0.68 -1.14 0.17 4.07 -1.16 -2.64 115.31 115.32 2b1w h LEU 23 Ca 0.03 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 2b1w h LEU 23 Cb 0.02 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2b1w h LEU 23 CO -0.04 0.56 -0.31 0.07 -1.08 0.00 0.00 178.44 177.64 2b1w h LYS 24 N 0.74 0.21 0.00 1.13 2.10 -1.43 0.12 116.57 119.44 2b1w h LYS 24 Ca 0.20 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 2b1w h LYS 24 Cb 0.03 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2b1w h LYS 24 CO -0.03 0.50 -0.06 0.77 -2.00 0.00 0.00 179.45 178.63 2b1w h SER 25 N 0.18 0.00 -0.33 7.07 0.02 -0.98 -1.24 113.55 118.27 2b1w h SER 25 Ca 0.03 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.72 2b1w h SER 25 Cb 0.65 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.94 2b1w h SER 25 CO 0.05 0.06 -0.74 -0.46 -1.14 0.00 0.00 176.83 174.60 2b1w n ASN 26 N -3.55 2.87 0.02 3.07 6.94 -0.83 -4.88 115.26 118.89 2b1w n ASN 26 Ca -0.02 -3.47 -0.11 0.00 -0.02 0.00 0.00 54.58 50.95 2b1w n ASN 26 Cb 0.18 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.11 2b1w n ASN 26 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2b1w h ARG 27 N 1.61 0.05 -0.90 -3.83 0.11 0.49 -1.42 114.38 110.49 2b1w h ARG 27 Ca 0.11 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.22 2b1w h ARG 27 Cb 1.33 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.34 2b1w h ARG 27 CO 0.32 0.03 0.58 0.93 0.10 0.00 0.00 179.97 181.94 2b1w h GLU 28 N 0.05 1.10 -0.30 0.08 5.08 -1.86 0.21 114.58 118.93 2b1w h GLU 28 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2b1w h GLU 28 Cb 0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2b1w h GLU 28 CO -0.02 0.73 0.14 1.25 -1.00 0.00 0.00 179.01 180.11 2b1w h LEU 29 N 1.13 0.40 -1.12 1.33 5.85 -1.86 -2.48 115.31 118.56 2b1w h LEU 29 Ca 0.36 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2b1w h LEU 29 Cb 0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2b1w h LEU 29 CO -0.12 0.43 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.96 2b1w h LEU 30 N 0.35 0.11 0.05 2.25 4.07 -0.41 -1.80 115.31 119.93 2b1w h LEU 30 Ca 0.10 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2b1w h LEU 30 Cb 0.14 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2b1w h LEU 30 CO -0.01 0.48 -0.02 0.58 -1.08 0.00 0.00 178.44 178.39 2b1w h VAL 31 N 0.09 1.04 0.00 1.22 2.07 -0.34 -2.88 116.25 117.45 2b1w h VAL 31 Ca 0.01 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2b1w h VAL 31 Cb 0.72 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2b1w h VAL 31 CO 0.05 0.07 -0.34 0.00 0.02 0.00 0.00 177.57 177.38 2b1w h THR 32 N -0.19 0.98 -0.98 2.57 1.03 -1.36 -0.50 112.91 114.47 2b1w h THR 32 Ca -0.01 -1.27 0.29 0.00 -0.01 0.00 0.00 66.41 65.41 2b1w h THR 32 Cb 0.16 1.74 -0.14 0.00 -1.07 0.00 0.00 68.15 68.84 2b1w h THR 32 CO 0.01 0.33 0.50 0.45 -0.01 0.00 0.00 175.52 176.80 2b1w h HIS 33 N 0.00 0.82 0.00 0.00 -0.00 -1.09 -3.40 115.15 111.47 2b1w h HIS 33 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2b1w h HIS 33 Cb 0.71 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2b1w h HIS 33 CO 0.00 -0.15 0.00 1.51 -0.00 0.00 0.00 177.93 179.29 2b1w n ILE 34 N -5.06 0.00 0.00 2.45 0.00 -1.16 -4.92 119.36 110.68 2b1w n ILE 34 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.04 2b1w n ILE 34 Cb 0.88 -0.24 0.00 0.00 0.00 0.00 0.00 39.64 40.28 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2b1w n ARG 35 N -2.80 0.00 0.00 9.51 1.74 -0.21 -4.99 116.66 119.92 2b1w n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2b1w n ARG 35 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2b1w n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2b1w n ASN 36 N 0.00 0.00 0.20 0.55 2.85 -1.23 -4.78 115.26 112.85 2b1w n ASN 36 Ca 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.64 2b1w n ASN 36 Cb 0.00 -0.01 0.82 0.00 1.24 0.00 0.00 39.78 41.83 2b1w n ASN 36 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2b1w h THR 37 N 0.00 0.47 0.00 -0.44 1.35 -1.94 0.39 112.91 112.75 2b1w h THR 37 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2b1w h THR 37 Cb 0.00 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2b1w h THR 37 CO 0.00 0.00 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.63 2b1w h GLN 38 N 0.00 0.00 -0.20 4.72 5.75 -1.94 -2.61 115.11 120.83 2b1w h GLN 38 Ca 0.09 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2b1w h GLN 38 Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2b1w h GLN 38 CO -0.00 0.03 -0.01 0.00 -2.65 0.00 0.00 178.83 176.20 2b1w h LEU 40 N 0.11 0.49 -0.42 0.00 8.10 -1.59 -2.02 115.31 119.98 2b1w h LEU 40 Ca 0.06 -0.22 -0.06 0.00 0.11 0.00 0.00 57.88 57.77 2b1w h LEU 40 Cb 0.41 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.48 2b1w h LEU 40 CO 0.01 0.85 0.04 -0.37 -4.11 0.00 0.00 178.44 174.87 2b1w h VAL 41 N 0.38 1.25 -0.32 0.15 -1.51 -1.56 0.16 116.25 114.80 2b1w h VAL 41 Ca 0.03 -0.94 -0.08 0.00 -1.23 0.00 0.00 66.70 64.49 2b1w h VAL 41 Cb 0.90 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 2b1w h VAL 41 CO 0.08 0.32 -0.12 -2.24 -1.23 0.00 0.00 177.57 174.38 2b1w h ASP 42 N 0.56 0.54 -0.26 4.19 3.04 -1.47 0.24 116.42 123.26 2b1w h ASP 42 Ca 0.12 -0.14 -0.04 0.00 -3.24 0.00 0.00 57.03 53.73 2b1w h ASP 42 Cb 0.42 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.55 2b1w h ASP 42 CO 0.01 0.69 0.06 -1.13 -2.04 0.00 0.00 179.24 176.83 2b1w h ASN 43 N 0.51 0.47 0.38 4.15 -1.24 -1.08 0.25 115.58 119.02 2b1w h ASN 43 Ca 0.09 -0.07 -0.20 0.00 0.71 0.00 0.00 56.30 56.83 2b1w h ASN 43 Cb 0.51 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 2b1w h ASN 43 CO 0.03 0.50 -0.84 0.25 -1.29 0.00 0.00 177.43 176.08 2b1w h LEU 44 N 0.50 0.43 -0.62 0.34 7.12 0.45 0.39 115.31 123.92 2b1w h LEU 44 Ca 0.11 -0.32 0.03 0.00 0.13 0.00 0.00 57.88 57.84 2b1w h LEU 44 Cb 0.24 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2b1w h LEU 44 CO 0.00 1.09 0.37 0.25 -0.13 0.00 0.00 178.44 180.02 2b1w h LEU 45 N 0.21 0.59 -0.03 2.25 7.12 -0.07 0.56 115.31 125.94 2b1w h LEU 45 Ca -0.05 0.01 -0.26 0.00 0.13 0.00 0.00 57.88 57.71 2b1w h LEU 45 Cb 1.45 -0.12 0.02 0.00 -0.53 0.00 0.00 40.66 41.48 2b1w h LEU 45 CO 0.14 0.41 -1.04 0.50 -0.13 0.00 0.00 178.44 178.32 2b1w h LYS 46 N 0.72 0.63 0.00 1.25 1.63 -0.39 -3.35 116.57 117.07 2b1w h LYS 46 Ca 0.25 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2b1w h LYS 46 Cb 0.05 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2b1w h LYS 46 CO -0.12 1.28 -1.13 0.09 -3.45 0.00 0.00 179.45 176.12 2b1w n ASN 47 N -3.82 0.88 -2.16 4.20 3.02 0.13 -5.00 115.26 112.50 2b1w n ASN 47 Ca -0.10 -0.59 -0.20 0.00 -0.03 0.00 0.00 54.58 53.66 2b1w n ASN 47 Cb 0.88 1.27 -0.02 0.00 -0.61 0.00 0.00 39.78 41.31 2b1w n ASN 47 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2b1w n ASP 48 N -1.64 -5.60 0.00 6.41 2.03 0.20 -4.50 116.55 113.45 2b1w n ASP 48 Ca 0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2b1w n ASP 48 Cb 0.33 -4.65 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 2b1w n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b1w n TYR 49 N -3.85 0.00 -0.09 -0.67 4.11 -1.25 -4.97 117.16 110.43 2b1w n TYR 49 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.67 2b1w n TYR 49 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.01 2b1w n TYR 49 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2b1w n PHE 50 N 0.00 0.00 -1.29 -3.48 3.72 -1.26 -4.28 117.46 110.86 2b1w n PHE 50 Ca 0.00 -0.67 -0.23 0.00 -0.05 0.00 0.00 57.45 56.50 2b1w n PHE 50 Cb 0.00 -0.38 0.18 0.00 -0.94 0.00 0.00 39.48 38.34 2b1w n PHE 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2b1w n SER 51 N 1.36 -0.98 -0.20 4.37 3.41 -1.26 -4.50 113.62 115.81 2b1w n SER 51 Ca 0.00 -1.19 0.30 0.00 -0.26 0.00 0.00 58.87 57.72 2b1w n SER 51 Cb 0.38 -0.80 0.73 0.00 -0.26 0.00 0.00 64.21 64.26 2b1w n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b1w h ALA 52 N -2.25 2.88 -0.02 7.33 0.00 -1.88 0.24 119.26 125.55 2b1w h ALA 52 Ca -0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2b1w h ALA 52 Cb 0.97 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2b1w h ALA 52 CO 0.22 -1.21 0.01 0.93 0.00 0.00 0.00 179.25 179.21 2b1w h GLU 53 N 0.00 0.03 -0.17 0.00 4.39 -1.91 0.96 114.58 117.88 2b1w h GLU 53 Ca 0.45 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.97 2b1w h GLU 53 Cb 1.89 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2b1w h GLU 53 CO -0.00 0.10 -0.62 0.22 -1.16 0.00 0.00 179.01 177.55 2b1w h ASP 54 N -0.05 0.66 -0.81 1.42 3.58 -1.42 -2.74 116.42 117.07 2b1w h ASP 54 Ca 0.01 -0.38 0.03 0.00 0.42 0.00 0.00 57.03 57.10 2b1w h ASP 54 Cb 0.08 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 2b1w h ASP 54 CO -0.00 1.12 0.53 0.00 -2.88 0.00 0.00 179.24 178.01 2b1w h ALA 55 N 0.89 1.49 -0.21 -0.78 0.00 -0.43 -2.82 119.26 117.39 2b1w h ALA 55 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2b1w h ALA 55 Cb 1.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2b1w h ALA 55 CO 0.12 0.44 0.02 1.49 0.00 0.00 0.00 179.25 181.32 2b1w h GLU 56 N 1.02 0.10 -0.00 0.00 4.57 0.13 0.43 114.58 120.82 2b1w h GLU 56 Ca 0.31 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2b1w h GLU 56 Cb -0.01 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2b1w h GLU 56 CO -0.09 0.06 0.00 0.82 -1.18 0.00 0.00 179.01 178.63 2b1w h ILE 57 N 0.10 1.01 -0.13 2.32 1.08 -1.43 -3.18 117.51 117.27 2b1w h ILE 57 Ca 0.10 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.43 2b1w h ILE 57 Cb 0.10 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2b1w h ILE 57 CO -0.14 0.01 -0.37 0.58 -0.69 0.00 0.00 178.15 177.53 2b1w h VAL 58 N -0.00 1.37 -0.08 1.67 2.07 -1.34 -3.28 116.25 116.66 2b1w h VAL 58 Ca 0.00 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.88 2b1w h VAL 58 Cb 0.01 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2b1w h VAL 58 CO -0.00 0.50 0.18 0.00 0.02 0.00 0.00 177.57 178.27 2b1w h ALA 60 N 1.70 2.28 0.00 0.00 0.00 -1.62 0.43 119.26 122.06 2b1w h ALA 60 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2b1w h ALA 60 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2b1w h ALA 60 CO -0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 179.25 178.14 2b1w n PRO 62 N -2.94 1.32 -1.05 0.00 -0.02 -1.24 -5.00 135.00 126.07 2b1w n PRO 62 Ca -0.01 -0.38 0.14 0.00 -2.02 0.00 0.00 63.50 61.23 2b1w n PRO 62 Cb 0.05 -1.23 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 2b1w n PRO 62 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2b1w n THR 63 N -0.12 0.00 0.03 3.45 -2.24 0.14 -2.75 114.28 112.79 2b1w n THR 63 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 2b1w n THR 63 Cb 0.17 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 2b1w n THR 63 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2b1w h GLN 64 N 0.00 0.01 -0.89 -0.78 7.50 -1.92 -2.20 115.11 116.83 2b1w h GLN 64 Ca 0.02 -0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.27 2b1w h GLN 64 Cb 0.95 -0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.41 2b1w h GLN 64 CO 0.01 0.01 0.54 -1.00 -1.50 0.00 0.00 178.83 176.88 2b1w h PRO 65 N 0.01 0.87 -0.12 1.46 0.13 -1.93 0.67 132.00 133.10 2b1w h PRO 65 Ca 0.02 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2b1w h PRO 65 Cb 0.02 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 30.94 2b1w h PRO 65 CO -0.03 0.58 -0.62 0.22 -0.23 0.00 0.00 178.00 177.93 2b1w h ASP 66 N 0.90 0.46 -0.87 1.44 1.82 -1.48 -3.02 116.42 115.67 2b1w h ASP 66 Ca 0.42 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2b1w h ASP 66 Cb 0.35 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2b1w h ASP 66 CO -0.24 0.96 0.54 0.50 -1.61 0.00 0.00 179.24 179.39 2b1w h LYS 67 N 0.30 1.18 -0.32 0.28 1.63 -0.40 -1.77 116.57 117.46 2b1w h LYS 67 Ca -0.01 -0.10 -0.17 0.00 -0.85 0.00 0.00 60.65 59.53 2b1w h LYS 67 Cb 1.15 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2b1w h LYS 67 CO 0.11 0.81 -0.47 -0.39 -3.45 0.00 0.00 179.45 176.06 2b1w h VAL 68 N 1.20 1.28 -0.10 2.00 -1.51 -0.88 -2.23 116.25 116.01 2b1w h VAL 68 Ca 0.32 -1.65 -0.06 0.00 -1.23 0.00 0.00 66.70 64.07 2b1w h VAL 68 Cb -0.07 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2b1w h VAL 68 CO -0.06 0.54 -0.23 0.08 -1.23 0.00 0.00 177.57 176.67 2b1w h ARG 69 N 0.67 0.18 -0.39 5.19 -0.00 -1.36 -0.13 114.38 118.53 2b1w h ARG 69 Ca 0.04 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.98 59.93 2b1w h ARG 69 Cb 1.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.99 2b1w h ARG 69 CO 0.11 0.40 0.10 -0.22 -0.00 0.00 0.00 179.97 180.35 2b1w h LYS 70 N 0.16 0.63 -0.44 0.08 3.11 -1.02 0.45 116.57 119.54 2b1w h LYS 70 Ca 0.03 -0.15 -0.14 0.00 -2.81 0.00 0.00 60.65 57.58 2b1w h LYS 70 Cb 0.50 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2b1w h LYS 70 CO 0.03 0.65 -0.28 -0.84 -2.81 0.00 0.00 179.45 176.21 2b1w h ILE 71 N 0.49 1.27 -0.12 2.00 3.07 -0.95 -0.63 117.51 122.64 2b1w h ILE 71 Ca 0.12 -1.45 -0.06 0.00 1.55 0.00 0.00 64.86 65.02 2b1w h ILE 71 Cb 0.31 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 38.07 2b1w h ILE 71 CO 0.00 0.49 -0.20 -0.07 -1.05 0.00 0.00 178.15 177.32 2b1w h LEU 72 N 0.82 0.19 -0.22 0.16 4.07 -0.94 -2.16 115.31 117.23 2b1w h LEU 72 Ca 0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 2b1w h LEU 72 Cb 0.86 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 2b1w h LEU 72 CO 0.08 0.41 -0.03 -0.78 -1.08 0.00 0.00 178.44 177.04 2b1w h ASP 73 N 0.19 0.40 0.34 -0.43 3.58 0.67 0.12 116.42 121.28 2b1w h ASP 73 Ca 0.03 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.03 2b1w h ASP 73 Cb 0.47 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2b1w h ASP 73 CO 0.03 0.64 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.48 2b1w h LEU 74 N 0.14 0.19 -0.69 2.28 4.07 -1.09 -2.36 115.31 117.85 2b1w h LEU 74 Ca 0.06 -0.09 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 2b1w h LEU 74 Cb 0.46 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2b1w h LEU 74 CO 0.02 0.65 -0.47 1.62 -1.08 0.00 0.00 178.44 179.17 2b1w h VAL 75 N 0.14 1.32 0.00 1.22 3.04 -1.24 -3.47 116.25 117.26 2b1w h VAL 75 Ca 0.01 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 2b1w h VAL 75 Cb 0.91 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2b1w h VAL 75 CO 0.07 0.52 0.00 1.67 -1.01 0.00 0.00 177.57 178.82 2b1w n GLN 76 N -3.99 0.00 0.00 4.17 7.27 0.40 -4.03 117.38 121.20 2b1w n GLN 76 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2b1w n GLN 76 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 2b1w n GLN 76 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2b1w n SER 77 N 2.10 0.00 0.27 1.69 7.64 -1.26 -4.70 113.62 119.35 2b1w n SER 77 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2b1w n SER 77 Cb 0.00 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b1w h LYS 78 N 0.00 -0.65 -0.58 1.43 1.79 -1.89 0.30 116.57 116.97 2b1w h LYS 78 Ca 0.00 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 2b1w h LYS 78 Cb 0.00 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 2b1w h LYS 78 CO 0.00 -0.43 0.24 0.78 -1.08 0.00 0.00 179.45 178.95 2b1w h GLY 79 N -0.68 0.81 0.12 3.86 0.00 -1.86 0.32 103.07 105.65 2b1w h GLY 79 Ca -0.07 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.21 2b1w h GLY 79 CO 0.11 0.02 -0.12 -2.09 0.00 0.00 0.00 176.54 174.46 2b1w h GLU 80 N 0.44 -0.02 -0.03 4.80 4.81 -1.70 0.25 114.58 123.13 2b1w h GLU 80 Ca 0.28 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 2b1w h GLU 80 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 2b1w h GLU 80 CO -0.26 -0.01 -0.57 1.49 -0.73 0.00 0.00 179.01 178.93 2b1w h GLU 81 N -0.02 0.43 -0.16 1.92 4.81 0.61 -3.03 114.58 119.15 2b1w h GLU 81 Ca 0.21 -0.43 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 2b1w h GLU 81 Cb 0.33 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2b1w h GLU 81 CO -0.45 1.08 -0.55 -0.39 -0.73 0.00 0.00 179.01 177.98 2b1w h VAL 82 N -0.05 1.33 -0.30 0.32 -1.51 -0.23 -2.71 116.25 113.10 2b1w h VAL 82 Ca -0.06 -1.81 -0.02 0.00 -1.23 0.00 0.00 66.70 63.57 2b1w h VAL 82 Cb 1.26 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 2b1w h VAL 82 CO 0.11 0.56 0.10 0.28 -1.23 0.00 0.00 177.57 177.39 2b1w h SER 83 N 0.36 0.42 -0.77 4.19 0.02 -0.56 0.27 113.55 117.47 2b1w h SER 83 Ca 0.01 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2b1w h SER 83 Cb 1.07 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2b1w h SER 83 CO 0.10 0.50 0.39 1.05 -1.14 0.00 0.00 176.83 177.73 2b1w h GLU 84 N 0.32 1.11 -0.14 3.45 4.11 -1.55 0.41 114.58 122.30 2b1w h GLU 84 Ca 0.10 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2b1w h GLU 84 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2b1w h GLU 84 CO -0.01 0.84 -0.00 0.35 0.07 0.00 0.00 179.01 180.26 2b1w h PHE 85 N 1.11 0.27 0.01 2.06 3.57 -1.10 -2.48 116.94 120.38 2b1w h PHE 85 Ca 0.27 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2b1w h PHE 85 Cb 0.08 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2b1w h PHE 85 CO 0.01 0.48 -0.00 0.74 -2.23 0.00 0.00 178.31 177.31 2b1w h PHE 86 N -0.01 -0.01 -0.33 0.41 -1.00 -0.26 -0.42 116.94 115.33 2b1w h PHE 86 Ca 0.04 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 2b1w h PHE 86 Cb 0.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 2b1w h PHE 86 CO 0.03 0.63 -0.13 1.37 -1.61 0.00 0.00 178.31 178.61 2b1w h LEU 87 N -0.65 0.55 -0.29 1.54 8.10 -1.04 -2.58 115.31 120.94 2b1w h LEU 87 Ca -0.00 -0.15 -0.20 0.00 0.11 0.00 0.00 57.88 57.63 2b1w h LEU 87 Cb 0.64 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2b1w h LEU 87 CO 0.00 0.71 -0.79 1.88 -4.11 0.00 0.00 178.44 176.14 2b1w h TYR 88 N 0.52 0.70 -0.84 0.17 0.05 -1.49 -2.27 116.97 113.82 2b1w h TYR 88 Ca 0.09 -0.32 0.07 0.00 0.05 0.00 0.00 58.73 58.62 2b1w h TYR 88 Cb 0.53 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 38.11 2b1w h TYR 88 CO 0.02 1.11 0.55 1.37 -1.05 0.00 0.00 178.16 180.16 2b1w h LEU 89 N 0.34 0.79 -0.38 3.88 8.10 -0.65 1.20 115.31 128.58 2b1w h LEU 89 Ca -0.05 0.01 -0.16 0.00 0.11 0.00 0.00 57.88 57.79 2b1w h LEU 89 Cb 1.39 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.45 2b1w h LEU 89 CO 0.14 0.50 -0.38 0.25 -4.11 0.00 0.00 178.44 174.84 2b1w h LEU 90 N 0.89 1.00 0.01 0.17 6.46 -1.56 -3.36 115.31 118.92 2b1w h LEU 90 Ca 0.37 -0.47 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2b1w h LEU 90 Cb 0.28 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2b1w h LEU 90 CO -0.14 1.26 -0.00 -0.61 -0.62 0.00 0.00 178.44 178.33 2b1w h GLN 91 N 0.76 -0.01 0.00 1.25 4.15 0.06 -3.46 115.11 117.86 2b1w h GLN 91 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2b1w h GLN 91 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2b1w h GLN 91 CO 0.10 0.67 0.00 0.00 -1.93 0.00 0.00 178.83 177.66 2b1w n GLN 92 N -4.77 0.00 -0.25 1.69 10.64 0.38 -4.98 117.38 120.10 2b1w n GLN 92 Ca -0.09 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.16 2b1w n GLN 92 Cb 0.34 0.00 0.34 0.00 -0.86 0.00 0.00 30.24 30.05 2b1w n GLN 92 CO 0.00 0.00 0.00 1.37 -1.83 0.00 0.00 177.06 176.60 2b1w h LEU 93 N 0.00 0.72 -0.16 2.61 8.10 -1.20 0.66 115.31 126.03 2b1w h LEU 93 Ca 0.00 0.02 -0.17 0.00 0.11 0.00 0.00 57.88 57.84 2b1w h LEU 93 Cb 0.00 -0.13 0.01 0.00 -0.44 0.00 0.00 40.66 40.10 2b1w h LEU 93 CO 0.00 0.42 -0.57 0.00 -4.11 0.00 0.00 178.44 174.18 2b1w h ALA 94 N 1.58 0.28 0.00 0.17 0.00 -1.94 -2.92 119.26 116.43 2b1w h ALA 94 Ca 0.39 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2b1w h ALA 94 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2b1w h ALA 94 CO -0.16 0.51 -0.00 0.22 0.00 0.00 0.00 179.25 179.82 2b1w h ASP 95 N 0.34 0.00 -0.14 0.00 1.82 -1.54 -3.28 116.42 113.62 2b1w h ASP 95 Ca -0.03 -0.96 -0.12 0.00 -0.39 0.00 0.00 57.03 55.53 2b1w h ASP 95 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2b1w h ASP 95 CO 0.12 0.98 -0.32 0.00 -1.61 0.00 0.00 179.24 178.41 2b1w h ALA 96 N -0.04 0.89 -0.06 -0.78 0.00 0.10 0.08 119.26 119.44 2b1w h ALA 96 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2b1w h ALA 96 Cb 0.96 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2b1w h ALA 96 CO -0.00 0.63 -0.02 -0.92 0.00 0.00 0.00 179.25 178.93 2b1w h TYR 97 N 0.54 0.14 -0.30 0.00 3.20 -1.65 -0.42 116.97 118.49 2b1w h TYR 97 Ca 0.06 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2b1w h TYR 97 Cb 0.81 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2b1w h TYR 97 CO 0.04 0.48 -0.19 0.28 -1.64 0.00 0.00 178.16 177.13 2b1w h VAL 98 N -0.23 1.25 0.00 1.81 2.07 -1.60 -2.58 116.25 116.97 2b1w h VAL 98 Ca 0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2b1w h VAL 98 Cb 0.44 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2b1w h VAL 98 CO 0.01 0.38 0.00 -0.78 0.02 0.00 0.00 177.57 177.20 2b1w h ASP 99 N 0.49 0.00 0.48 0.57 3.58 -0.83 -2.55 116.42 118.16 2b1w h ASP 99 Ca 0.08 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 2b1w h ASP 99 Cb 0.60 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2b1w h ASP 99 CO 0.04 0.00 -0.24 0.25 -2.88 0.00 0.00 179.24 176.42 2b1w h LEU 100 N 0.00 0.00 0.22 2.28 6.46 -0.65 -2.85 115.31 120.78 2b1w h LEU 100 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2b1w h LEU 100 Cb 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2b1w h LEU 100 CO 0.00 0.24 -0.11 0.03 -0.62 0.00 0.00 178.44 177.98 2b1w h ARG 101 N 0.00 -0.29 -0.90 1.25 2.47 -1.54 -0.38 114.38 114.99 2b1w h ARG 101 Ca -0.00 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2b1w h ARG 101 Cb 0.54 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 2b1w h ARG 101 CO 0.03 -0.08 0.59 -1.35 0.56 0.00 0.00 179.97 179.72 2b1w h PRO 102 N -0.46 1.04 -0.30 0.04 0.11 -1.72 -1.72 132.00 128.99 2b1w h PRO 102 Ca -0.03 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.03 2b1w h PRO 102 Cb 0.35 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2b1w h PRO 102 CO 0.05 0.69 0.16 -1.49 -0.21 0.00 0.00 178.00 177.20 2b1w h TRP 103 N 1.07 0.30 -0.13 0.65 6.55 -1.23 -1.10 115.95 122.07 2b1w h TRP 103 Ca 0.37 0.01 -0.12 0.00 0.95 0.00 0.00 58.89 60.10 2b1w h TRP 103 Cb 0.11 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 2b1w h TRP 103 CO -0.00 0.17 -0.45 1.37 -1.05 0.00 0.00 178.44 178.48 2b1w h LEU 104 N 0.33 0.32 -1.14 -4.49 8.10 -0.86 -2.84 115.31 114.74 2b1w h LEU 104 Ca 0.12 -0.15 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 2b1w h LEU 104 Cb 0.02 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 2b1w h LEU 104 CO -0.07 0.73 -0.03 -0.07 -4.11 0.00 0.00 178.44 174.89 2b1w h LEU 105 N 0.25 0.53 -0.19 0.17 3.38 -0.80 0.12 115.31 118.77 2b1w h LEU 105 Ca 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2b1w h LEU 105 Cb 0.89 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2b1w h LEU 105 CO 0.07 0.62 -0.07 -0.33 0.09 0.00 0.00 178.44 178.83 2b1w h GLU 106 N 0.53 0.38 0.00 1.13 5.08 -0.99 -3.18 114.58 117.54 2b1w h GLU 106 Ca 0.11 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2b1w h GLU 106 Cb 0.39 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2b1w h GLU 106 CO 0.02 0.66 -0.60 0.97 -1.00 0.00 0.00 179.01 179.05 2b1w h ILE 107 N 0.09 1.08 -6.70 3.13 6.09 -1.36 -3.48 117.51 116.36 2b1w h ILE 107 Ca 0.05 -2.41 -0.54 0.00 -1.37 0.00 0.00 64.86 60.59 2b1w h ILE 107 Cb 0.53 2.46 -0.07 0.00 0.47 0.00 0.00 36.82 40.20 2b1w h ILE 107 CO 0.02 0.59 -0.94 0.61 -3.07 0.00 0.00 178.15 175.36 2b1w n GLY 108 N 1.11 -0.40 3.08 8.18 0.00 0.39 -4.96 105.19 112.59 2b1w n GLY 108 Ca 0.01 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 2b1w n GLY 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b1w s PHE 109 N -3.95 0.85 0.00 1.61 5.36 -1.26 -5.07 117.98 115.52 2b1w s PHE 109 Ca 0.15 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 2b1w s PHE 109 Cb -0.07 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.11 2b1w s PHE 109 CO 0.93 -0.03 0.00 0.43 -1.46 0.00 0.00 175.22 175.09