#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 0.56 -2.15 4.61 0.00 -1.26 -5.14 120.51 117.14 2b1w n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b1w n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b1w n ALA 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2b1w n MET 14 N -0.78 -5.30 -0.22 0.00 0.00 -1.26 -4.81 117.12 104.76 2b1w n MET 14 Ca 0.00 3.80 0.12 0.00 0.00 0.00 0.00 57.70 61.62 2b1w n MET 14 Cb 0.00 -4.36 0.41 0.00 0.00 0.00 0.00 33.22 29.27 2b1w n MET 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 2b1w h GLU 15 N 4.19 0.60 0.00 0.03 9.09 -2.01 -3.43 114.58 123.05 2b1w h GLU 15 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 2b1w h GLU 15 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 26.96 2b1w h GLU 15 CO 0.00 0.40 0.00 0.43 0.05 0.00 0.00 179.01 179.89 2b1w n SER 16 N -4.52 0.00 -3.72 3.06 7.64 -1.26 -5.01 113.62 109.81 2b1w n SER 16 Ca 0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 2b1w n SER 16 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 2b1w n SER 16 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2b1w n HIS 17 N 0.00 -1.87 0.00 1.43 8.25 -1.26 -4.99 115.22 116.77 2b1w n HIS 17 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2b1w n HIS 17 Cb 0.00 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 27.60 2b1w n HIS 17 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2b1w n PRO 18 N -4.22 0.00 0.05 -0.41 -0.04 -1.26 -4.58 135.00 124.53 2b1w n PRO 18 Ca -0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2b1w n PRO 18 Cb 0.61 -0.01 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 2b1w n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2b1w h HIS 19 N 0.00 0.71 -0.70 0.54 3.86 -1.95 -2.49 115.15 115.11 2b1w h HIS 19 Ca 0.00 -0.35 0.06 0.00 -1.16 0.00 0.00 60.37 58.92 2b1w h HIS 19 Cb 0.00 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.32 2b1w h HIS 19 CO 0.00 1.15 0.40 -0.84 0.86 0.00 0.00 177.93 179.50 2b1w h ILE 20 N 0.31 0.98 -0.21 2.45 3.07 -1.90 -1.33 117.51 120.88 2b1w h ILE 20 Ca -0.06 -0.25 -0.05 0.00 1.55 0.00 0.00 64.86 66.05 2b1w h ILE 20 Cb 1.48 0.18 -0.01 0.00 -0.27 0.00 0.00 36.82 38.20 2b1w h ILE 20 CO 0.15 0.13 -0.05 1.56 -1.05 0.00 0.00 178.15 178.90 2b1w h GLN 21 N 0.74 0.41 -0.01 0.16 1.08 -1.78 -3.34 115.11 112.36 2b1w h GLN 21 Ca 0.31 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2b1w h GLN 21 Cb 0.18 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2b1w h GLN 21 CO -0.18 0.65 0.01 1.37 -0.95 0.00 0.00 178.83 179.73 2b1w h LEU 22 N 0.13 0.02 -1.44 1.46 8.10 -0.95 -3.30 115.31 119.34 2b1w h LEU 22 Ca 0.05 -0.08 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2b1w h LEU 22 Cb 0.50 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.70 2b1w h LEU 22 CO 0.02 0.10 0.30 -0.07 -4.11 0.00 0.00 178.44 174.68 2b1w h LEU 23 N -0.06 0.60 -1.12 0.17 3.38 -1.38 -0.15 115.31 116.74 2b1w h LEU 23 Ca 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2b1w h LEU 23 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2b1w h LEU 23 CO -0.00 0.46 -0.21 0.07 0.09 0.00 0.00 178.44 178.85 2b1w h LYS 24 N 0.69 0.36 0.00 1.13 2.10 -1.73 -1.27 116.57 117.84 2b1w h LYS 24 Ca 0.18 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2b1w h LYS 24 Cb -0.02 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2b1w h LYS 24 CO -0.03 0.56 0.00 0.77 -2.00 0.00 0.00 179.45 178.74 2b1w h SER 25 N 0.32 0.00 -0.26 7.07 0.02 -1.15 -2.07 113.55 117.48 2b1w h SER 25 Ca 0.05 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 2b1w h SER 25 Cb 0.56 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.84 2b1w h SER 25 CO 0.04 0.00 -0.81 -0.46 -1.14 0.00 0.00 176.83 174.46 2b1w n ASN 26 N -2.31 2.32 -0.07 3.07 6.94 -0.96 -4.85 115.26 119.40 2b1w n ASN 26 Ca 0.02 -3.10 -0.11 0.00 -0.02 0.00 0.00 54.58 51.37 2b1w n ASN 26 Cb 0.24 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 37.19 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 1.56 0.36 -0.22 -3.83 0.11 -0.50 -0.85 114.38 111.01 2b1w h ARG 27 Ca 0.01 -0.10 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 2b1w h ARG 27 Cb 1.39 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.42 2b1w h ARG 27 CO 0.24 0.52 0.02 1.05 0.10 0.00 0.00 179.97 181.91 2b1w h GLU 28 N 0.14 0.32 -0.02 0.08 9.09 -1.88 0.36 114.58 122.67 2b1w h GLU 28 Ca 0.06 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 2b1w h GLU 28 Cb 0.35 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2b1w h GLU 28 CO 0.01 0.33 -0.02 1.25 0.05 0.00 0.00 179.01 180.63 2b1w h LEU 29 N 0.32 0.05 -0.81 3.06 5.85 -1.87 -3.27 115.31 118.64 2b1w h LEU 29 Ca 0.08 -0.48 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 2b1w h LEU 29 Cb 0.18 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2b1w h LEU 29 CO 0.00 0.52 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.16 2b1w h LEU 30 N -0.42 0.43 -0.40 2.25 4.07 -0.62 -2.67 115.31 117.95 2b1w h LEU 30 Ca 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2b1w h LEU 30 Cb 0.51 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 2b1w h LEU 30 CO 0.00 0.78 0.26 1.62 -1.08 0.00 0.00 178.44 180.03 2b1w h VAL 31 N 0.34 1.10 0.00 1.22 3.04 -0.40 -2.10 116.25 119.46 2b1w h VAL 31 Ca 0.03 -0.19 -0.12 0.00 -1.01 0.00 0.00 66.70 65.42 2b1w h VAL 31 Cb 0.85 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 2b1w h VAL 31 CO 0.07 0.10 -0.57 0.00 -1.01 0.00 0.00 177.57 176.16 2b1w h THR 32 N 0.54 1.35 -0.34 3.17 1.03 -1.60 -3.15 112.91 113.91 2b1w h THR 32 Ca 0.15 -2.00 0.05 0.00 -0.01 0.00 0.00 66.41 64.60 2b1w h THR 32 Cb -0.06 2.09 -0.08 0.00 -1.07 0.00 0.00 68.15 69.03 2b1w h THR 32 CO -0.03 0.56 -0.51 0.45 -0.01 0.00 0.00 175.52 175.98 2b1w h HIS 33 N 0.00 -1.51 0.00 0.00 -0.00 -1.01 -3.41 115.15 109.22 2b1w h HIS 33 Ca -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2b1w h HIS 33 Cb 1.05 0.71 0.00 0.00 -0.00 0.00 0.00 27.41 29.16 2b1w h HIS 33 CO 0.00 -0.49 0.00 1.51 -0.00 0.00 0.00 177.93 178.95 2b1w n ILE 34 N -5.41 0.07 0.00 2.45 0.13 -1.23 -4.94 119.36 110.44 2b1w n ILE 34 Ca -0.03 0.02 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 2b1w n ILE 34 Cb 0.36 -0.79 0.00 0.00 -0.84 0.00 0.00 39.64 38.37 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2b1w n ARG 35 N -2.58 0.00 0.00 9.51 1.74 -1.19 -5.02 116.66 119.12 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 -0.21 0.00 0.29 0.55 5.15 -1.25 -4.75 115.26 115.04 2b1w n ASN 36 Ca 0.00 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 54.15 2b1w n ASN 36 Cb 0.00 -0.03 0.84 0.00 -0.53 0.00 0.00 39.78 40.07 2b1w n ASN 36 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2b1w h THR 37 N 0.00 0.22 -0.14 -0.44 1.35 -1.94 -1.96 112.91 110.00 2b1w h THR 37 Ca 0.00 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 2b1w h THR 37 Cb 0.00 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2b1w h THR 37 CO 0.00 0.05 -0.06 1.56 -0.25 0.00 0.00 175.52 176.82 2b1w h GLN 38 N 0.00 0.21 -0.12 4.72 7.50 -1.93 -2.51 115.11 122.97 2b1w h GLN 38 Ca -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 2b1w h GLN 38 Cb 0.31 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.80 2b1w h GLN 38 CO 0.01 0.29 0.02 0.00 -1.50 0.00 0.00 178.83 177.64 2b1w h LEU 40 N -0.02 0.64 -0.14 0.00 8.10 -1.61 -2.59 115.31 119.68 2b1w h LEU 40 Ca 0.04 -0.35 -0.01 0.00 0.11 0.00 0.00 57.88 57.67 2b1w h LEU 40 Cb 0.30 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.33 2b1w h LEU 40 CO 0.00 1.07 0.04 -0.37 -4.11 0.00 0.00 178.44 175.07 2b1w h VAL 41 N 0.44 1.19 0.00 0.15 -1.51 -1.49 0.55 116.25 115.58 2b1w h VAL 41 Ca 0.01 -0.59 -0.06 0.00 -1.23 0.00 0.00 66.70 64.82 2b1w h VAL 41 Cb 1.11 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 2b1w h VAL 41 CO 0.11 0.18 -0.30 -0.78 -1.23 0.00 0.00 177.57 175.54 2b1w h ASP 42 N 0.03 0.00 0.02 4.19 3.58 -1.60 0.20 116.42 122.84 2b1w h ASP 42 Ca 0.04 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 2b1w h ASP 42 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2b1w h ASP 42 CO -0.00 0.30 -0.31 -1.13 -2.88 0.00 0.00 179.24 175.22 2b1w h ASN 43 N 0.00 0.43 -0.09 2.28 -1.24 -1.03 -2.89 115.58 113.04 2b1w h ASN 43 Ca -0.00 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 56.83 2b1w h ASN 43 Cb 0.60 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 2b1w h ASN 43 CO 0.04 0.73 -0.01 0.25 -1.29 0.00 0.00 177.43 177.15 2b1w h LEU 44 N 0.37 0.17 -1.36 0.34 7.12 0.21 0.89 115.31 123.05 2b1w h LEU 44 Ca 0.05 -0.33 -0.05 0.00 0.13 0.00 0.00 57.88 57.68 2b1w h LEU 44 Cb 0.73 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.80 2b1w h LEU 44 CO 0.06 0.46 -0.23 0.17 -0.13 0.00 0.00 178.44 178.77 2b1w h LEU 45 N -0.13 0.00 -0.16 2.25 -0.00 -1.29 1.00 115.31 116.98 2b1w h LEU 45 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.68 2b1w h LEU 45 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2b1w h LEU 45 CO 0.01 0.23 -0.84 0.11 -0.00 0.00 0.00 178.44 177.94 2b1w h LYS 46 N 0.00 0.70 0.00 0.17 6.56 -1.34 -3.37 116.57 119.30 2b1w h LYS 46 Ca -0.00 -0.62 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 2b1w h LYS 46 Cb 0.63 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 2b1w h LYS 46 CO 0.03 1.23 -1.10 0.09 -2.06 0.00 0.00 179.45 177.63 2b1w n ASN 47 N -3.89 0.90 -1.67 0.86 4.13 0.29 -5.01 115.26 110.87 2b1w n ASN 47 Ca -0.08 -0.59 -0.15 0.00 1.68 0.00 0.00 54.58 55.44 2b1w n ASN 47 Cb 0.78 1.26 -0.02 0.00 -1.54 0.00 0.00 39.78 40.26 2b1w n ASN 47 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2b1w n ASP 48 N -1.62 -4.64 0.00 6.41 8.00 0.34 -4.56 116.55 120.49 2b1w n ASP 48 Ca 0.01 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2b1w n ASP 48 Cb 0.32 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 2b1w n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b1w n TYR 49 N -3.82 0.00 -0.63 1.24 4.11 -1.25 -5.01 117.16 111.80 2b1w n TYR 49 Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.66 2b1w n TYR 49 Cb 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.87 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 -1.92 -3.48 3.72 -1.26 -3.74 117.46 110.77 2b1w n PHE 50 Ca 0.00 -1.01 -0.13 0.00 -0.05 0.00 0.00 57.45 56.26 2b1w n PHE 50 Cb 0.00 -1.02 0.08 0.00 -0.94 0.00 0.00 39.48 37.60 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 2.29 0.35 -0.13 4.37 3.41 -1.26 -4.09 113.62 118.55 2b1w n SER 51 Ca 0.22 -1.39 0.27 0.00 -0.26 0.00 0.00 58.87 57.71 2b1w n SER 51 Cb 0.59 -0.40 0.72 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.23 2.71 0.05 7.33 0.00 -1.87 0.11 119.26 126.37 2b1w h ALA 52 Ca -0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2b1w h ALA 52 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2b1w h ALA 52 CO 0.16 -1.03 -0.03 1.49 0.00 0.00 0.00 179.25 179.85 2b1w h GLU 53 N 0.00 -0.07 -0.58 0.00 4.22 -1.92 0.72 114.58 116.96 2b1w h GLU 53 Ca 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.77 2b1w h GLU 53 Cb 1.60 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 2b1w h GLU 53 CO -0.00 0.16 0.15 0.22 -2.18 0.00 0.00 179.01 177.36 2b1w h ASP 54 N -0.29 0.87 -0.89 1.04 3.58 -1.42 -2.44 116.42 116.86 2b1w h ASP 54 Ca -0.01 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.24 2b1w h ASP 54 Cb 0.26 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2b1w h ASP 54 CO 0.01 0.87 0.58 0.00 -2.88 0.00 0.00 179.24 177.82 2b1w h ALA 55 N 1.03 1.16 -0.10 -0.78 0.00 -0.63 -1.69 119.26 118.25 2b1w h ALA 55 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2b1w h ALA 55 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2b1w h ALA 55 CO 0.00 0.46 -0.45 1.49 0.00 0.00 0.00 179.25 180.75 2b1w h GLU 56 N 1.14 0.24 0.02 0.00 4.57 0.80 0.34 114.58 121.69 2b1w h GLU 56 Ca 0.35 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2b1w h GLU 56 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2b1w h GLU 56 CO -0.10 0.65 -0.01 0.82 -1.18 0.00 0.00 179.01 179.19 2b1w h ILE 57 N 0.20 1.38 -0.16 2.32 1.08 -1.00 -3.31 117.51 118.01 2b1w h ILE 57 Ca 0.01 -1.23 -0.16 0.00 -0.39 0.00 0.00 64.86 63.10 2b1w h ILE 57 Cb 0.88 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.82 2b1w h ILE 57 CO 0.07 0.31 -0.57 0.58 -0.69 0.00 0.00 178.15 177.85 2b1w h VAL 58 N -0.55 1.33 -0.08 1.67 2.07 -1.26 -3.29 116.25 116.15 2b1w h VAL 58 Ca -0.00 -1.85 0.02 0.00 0.82 0.00 0.00 66.70 65.69 2b1w h VAL 58 Cb 0.53 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2b1w h VAL 58 CO 0.00 0.57 0.32 0.00 0.02 0.00 0.00 177.57 178.48 2b1w h ALA 60 N 1.43 3.50 0.00 0.00 0.00 -1.72 0.71 119.26 123.17 2b1w h ALA 60 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2b1w h ALA 60 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2b1w h ALA 60 CO -0.00 -2.10 -0.99 0.00 0.00 0.00 0.00 179.25 176.16 2b1w n PRO 62 N -4.09 1.91 -0.57 0.00 -0.05 -1.15 -5.06 135.00 125.99 2b1w n PRO 62 Ca -0.16 -1.38 0.08 0.00 -0.05 0.00 0.00 63.50 61.99 2b1w n PRO 62 Cb 0.44 -1.38 -0.02 0.00 -0.05 0.00 0.00 33.50 32.50 2b1w n PRO 62 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 2b1w n THR 63 N 0.61 0.00 0.04 0.52 -2.24 0.24 -2.62 114.28 110.82 2b1w n THR 63 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2b1w n THR 63 Cb 0.37 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.77 -0.78 7.50 -1.87 -2.20 115.11 116.99 2b1w h GLN 64 Ca 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.12 2b1w h GLN 64 Cb 0.52 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.02 2b1w h GLN 64 CO 0.00 0.07 0.31 -1.35 -1.50 0.00 0.00 178.83 176.37 2b1w h PRO 65 N -0.09 1.14 0.00 1.46 0.11 -1.94 -1.16 132.00 131.52 2b1w h PRO 65 Ca -0.00 -0.20 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 2b1w h PRO 65 Cb 0.08 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2b1w h PRO 65 CO 0.00 0.92 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.80 2b1w h ASP 66 N 1.11 0.00 -0.91 -2.05 3.32 -1.54 -2.91 116.42 113.44 2b1w h ASP 66 Ca 0.26 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.40 2b1w h ASP 66 Cb 0.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2b1w h ASP 66 CO -0.02 0.46 0.59 0.11 -1.72 0.00 0.00 179.24 178.66 2b1w h LYS 67 N 0.00 0.92 -0.50 3.56 1.79 -0.55 0.89 116.57 122.68 2b1w h LYS 67 Ca -0.00 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 2b1w h LYS 67 Cb 0.90 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2b1w h LYS 67 CO 0.06 0.61 -0.12 -0.39 -1.08 0.00 0.00 179.45 178.53 2b1w h VAL 68 N 0.94 1.26 -0.39 0.50 -1.51 -1.28 0.06 116.25 115.84 2b1w h VAL 68 Ca 0.41 -1.24 0.07 0.00 -1.23 0.00 0.00 66.70 64.71 2b1w h VAL 68 Cb 0.35 1.00 -0.06 0.00 -2.13 0.00 0.00 31.29 30.45 2b1w h VAL 68 CO -0.17 0.43 0.02 -0.09 -1.23 0.00 0.00 177.57 176.53 2b1w h ARG 69 N 0.83 0.12 -0.59 5.19 9.65 -1.15 -0.71 114.38 127.71 2b1w h ARG 69 Ca 0.13 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 2b1w h ARG 69 Cb 0.65 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.16 2b1w h ARG 69 CO 0.05 0.08 0.33 -0.22 2.80 0.00 0.00 179.97 183.00 2b1w h LYS 70 N 0.13 0.61 -0.34 0.20 3.11 -0.38 -0.89 116.57 119.01 2b1w h LYS 70 Ca 0.19 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.89 2b1w h LYS 70 Cb 0.26 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 2b1w h LYS 70 CO -0.30 0.41 -0.19 -0.84 -2.81 0.00 0.00 179.45 175.71 2b1w h ILE 71 N 0.63 1.29 -0.13 2.00 3.07 -0.52 -2.78 117.51 121.08 2b1w h ILE 71 Ca 0.25 -1.32 -0.08 0.00 1.55 0.00 0.00 64.86 65.26 2b1w h ILE 71 Cb 0.11 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.05 2b1w h ILE 71 CO -0.14 0.43 -0.29 -0.07 -1.05 0.00 0.00 178.15 177.03 2b1w h LEU 72 N 0.52 0.23 -0.43 0.16 4.07 -0.97 -2.81 115.31 116.08 2b1w h LEU 72 Ca 0.07 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.99 2b1w h LEU 72 Cb 0.74 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 2b1w h LEU 72 CO 0.06 0.52 0.23 0.44 -1.08 0.00 0.00 178.44 178.61 2b1w h ASP 73 N 0.21 0.35 0.54 -0.43 3.32 -0.89 0.60 116.42 120.11 2b1w h ASP 73 Ca 0.03 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2b1w h ASP 73 Cb 0.62 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2b1w h ASP 73 CO 0.04 0.25 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.04 2b1w h LEU 74 N 0.46 0.17 -0.30 1.55 4.07 -1.41 -3.16 115.31 116.68 2b1w h LEU 74 Ca 0.18 -0.11 -0.19 0.00 0.08 0.00 0.00 57.88 57.84 2b1w h LEU 74 Cb 0.06 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2b1w h LEU 74 CO -0.11 0.82 -0.59 1.62 -1.08 0.00 0.00 178.44 179.10 2b1w h VAL 75 N 0.09 1.28 0.00 1.22 3.04 -1.20 -3.47 116.25 117.22 2b1w h VAL 75 Ca -0.02 -1.78 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 2b1w h VAL 75 Cb 1.26 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 2b1w h VAL 75 CO 0.10 0.58 0.00 0.00 -1.01 0.00 0.00 177.57 177.24 2b1w n GLN 76 N -3.99 0.00 0.06 4.17 6.02 0.16 -4.32 117.38 119.49 2b1w n GLN 76 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2b1w n GLN 76 Cb 0.65 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.60 2b1w n GLN 76 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2b1w n SER 77 N 0.00 -0.65 0.27 1.08 7.64 -1.26 -4.89 113.62 115.81 2b1w n SER 77 Ca 0.00 0.23 -0.17 0.00 1.01 0.00 0.00 58.87 59.94 2b1w n SER 77 Cb 0.00 0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 63.90 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 -0.87 -0.79 1.43 1.79 -1.94 0.12 116.57 116.32 2b1w h LYS 78 Ca 0.00 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2b1w h LYS 78 Cb 0.00 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 2b1w h LYS 78 CO 0.00 -0.58 0.47 0.78 -1.08 0.00 0.00 179.45 179.04 2b1w h GLY 79 N -0.90 1.16 0.26 3.86 0.00 -1.88 0.78 103.07 106.36 2b1w h GLY 79 Ca -0.05 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.85 2b1w h GLY 79 CO -0.06 0.48 -0.20 -2.09 0.00 0.00 0.00 176.54 174.67 2b1w h GLU 80 N 1.09 -0.21 -0.04 4.80 4.81 -1.68 0.14 114.58 123.49 2b1w h GLU 80 Ca 0.28 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 2b1w h GLU 80 Cb -0.02 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2b1w h GLU 80 CO -0.05 -0.14 -0.60 1.05 -0.73 0.00 0.00 179.01 178.54 2b1w h GLU 81 N -0.21 0.47 -0.11 1.92 4.11 -0.47 -3.20 114.58 117.08 2b1w h GLU 81 Ca 0.13 -0.46 -0.17 0.00 0.07 0.00 0.00 59.36 58.93 2b1w h GLU 81 Cb 0.40 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2b1w h GLU 81 CO -0.34 1.10 -0.64 -0.39 0.07 0.00 0.00 179.01 178.81 2b1w h VAL 82 N 0.02 1.36 -0.15 -1.06 -1.51 -0.79 -2.52 116.25 111.60 2b1w h VAL 82 Ca -0.06 -1.98 -0.01 0.00 -1.23 0.00 0.00 66.70 63.41 2b1w h VAL 82 Cb 1.28 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 2b1w h VAL 82 CO 0.12 0.60 0.06 0.77 -1.23 0.00 0.00 177.57 177.89 2b1w h SER 83 N 0.31 0.20 -0.16 4.19 4.64 -0.78 0.79 113.55 122.74 2b1w h SER 83 Ca -0.01 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2b1w h SER 83 Cb 1.19 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2b1w h SER 83 CO 0.11 0.32 -0.01 1.05 -0.87 0.00 0.00 176.83 177.44 2b1w h GLU 84 N 0.07 0.30 -0.39 4.77 4.11 -1.61 -2.97 114.58 118.86 2b1w h GLU 84 Ca 0.05 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2b1w h GLU 84 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2b1w h GLU 84 CO -0.00 0.53 0.22 0.35 0.07 0.00 0.00 179.01 180.18 2b1w h PHE 85 N 0.03 0.53 -0.12 2.06 3.57 -1.29 -2.31 116.94 119.42 2b1w h PHE 85 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2b1w h PHE 85 Cb 0.40 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2b1w h PHE 85 CO 0.04 0.40 -0.04 0.74 -2.23 0.00 0.00 178.31 177.23 2b1w h PHE 86 N 0.51 0.26 -0.11 0.41 -1.00 -0.87 -0.16 116.94 115.97 2b1w h PHE 86 Ca 0.14 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 2b1w h PHE 86 Cb 0.04 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2b1w h PHE 86 CO -0.03 0.55 -0.25 1.37 -1.61 0.00 0.00 178.31 178.34 2b1w h LEU 87 N -0.09 0.20 -0.82 1.54 -0.00 -1.52 -1.81 115.31 112.81 2b1w h LEU 87 Ca 0.03 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 57.73 2b1w h LEU 87 Cb 0.47 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2b1w h LEU 87 CO 0.01 0.45 -0.51 1.88 -0.00 0.00 0.00 178.44 180.28 2b1w h TYR 88 N 0.18 0.25 -0.38 0.17 0.05 -1.20 0.29 116.97 116.33 2b1w h TYR 88 Ca 0.03 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.80 2b1w h TYR 88 Cb 0.55 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 2b1w h TYR 88 CO 0.01 0.68 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.62 2b1w h LEU 89 N 0.16 -0.38 -0.41 3.88 3.38 -0.13 0.74 115.31 122.55 2b1w h LEU 89 Ca 0.00 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2b1w h LEU 89 Cb 0.96 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2b1w h LEU 89 CO 0.08 -0.14 -0.27 -0.07 0.09 0.00 0.00 178.44 178.13 2b1w h LEU 90 N -0.01 0.95 0.04 1.67 -0.00 -1.42 -3.39 115.31 113.14 2b1w h LEU 90 Ca 0.18 -0.43 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2b1w h LEU 90 Cb 0.29 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2b1w h LEU 90 CO -0.40 1.17 -0.02 -0.61 -0.00 0.00 0.00 178.44 178.58 2b1w h GLN 91 N 0.73 -0.05 0.00 1.13 4.15 0.70 -3.48 115.11 118.29 2b1w h GLN 91 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2b1w h GLN 91 Cb 0.85 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2b1w h GLN 91 CO 0.07 0.60 0.00 0.00 -1.93 0.00 0.00 178.83 177.57 2b1w n GLN 92 N -4.74 0.00 0.00 1.69 10.64 0.25 -4.99 117.38 120.23 2b1w n GLN 92 Ca -0.08 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 2b1w n GLN 92 Cb 0.33 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.67 2b1w n GLN 92 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2b1w h LEU 93 N 0.00 -0.26 -0.59 2.61 -0.00 -1.74 0.27 115.31 115.59 2b1w h LEU 93 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2b1w h LEU 93 Cb 0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.77 2b1w h LEU 93 CO 0.00 -0.11 0.34 0.00 -0.00 0.00 0.00 178.44 178.66 2b1w h ALA 94 N 0.99 0.76 0.03 1.53 0.00 -1.97 -1.98 119.26 118.62 2b1w h ALA 94 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2b1w h ALA 94 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2b1w h ALA 94 CO -0.16 0.26 -0.24 0.22 0.00 0.00 0.00 179.25 179.33 2b1w h ASP 95 N 0.80 0.11 -0.02 0.00 3.58 -1.91 -3.30 116.42 115.69 2b1w h ASP 95 Ca 0.21 -0.98 -0.11 0.00 0.42 0.00 0.00 57.03 56.58 2b1w h ASP 95 Cb 0.02 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.04 2b1w h ASP 95 CO -0.04 1.11 -0.40 0.00 -2.88 0.00 0.00 179.24 177.03 2b1w h ALA 96 N 0.01 0.07 0.11 -0.78 0.00 -0.53 -2.80 119.26 115.34 2b1w h ALA 96 Ca -0.05 -0.50 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2b1w h ALA 96 Cb 1.17 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2b1w h ALA 96 CO 0.03 0.21 -1.20 -0.92 0.00 0.00 0.00 179.25 177.38 2b1w h TYR 97 N -0.27 0.81 -0.44 0.00 3.20 -1.47 -0.47 116.97 118.33 2b1w h TYR 97 Ca -0.04 -0.52 -0.08 0.00 3.14 0.00 0.00 58.73 61.23 2b1w h TYR 97 Cb 1.11 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2b1w h TYR 97 CO 0.15 1.37 -0.07 0.28 -1.64 0.00 0.00 178.16 178.26 2b1w h VAL 98 N 0.21 1.25 0.00 1.81 2.07 -1.66 -2.45 116.25 117.49 2b1w h VAL 98 Ca -0.16 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2b1w h VAL 98 Cb 1.87 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2b1w h VAL 98 CO 0.22 0.38 0.00 -0.78 0.02 0.00 0.00 177.57 177.40 2b1w h ASP 99 N 0.70 0.00 -0.51 0.57 3.58 -1.35 -3.20 116.42 116.22 2b1w h ASP 99 Ca 0.13 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.64 2b1w h ASP 99 Cb 0.53 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2b1w h ASP 99 CO 0.03 0.00 0.34 0.25 -2.88 0.00 0.00 179.24 176.98 2b1w h LEU 100 N 0.00 0.40 -0.01 2.28 7.12 -0.57 -2.42 115.31 122.12 2b1w h LEU 100 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 2b1w h LEU 100 Cb 0.57 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 2b1w h LEU 100 CO 0.00 0.26 -0.00 0.03 -0.13 0.00 0.00 178.44 178.60 2b1w h ARG 101 N 0.46 0.02 -0.11 1.25 -0.00 -1.69 -1.52 114.38 112.79 2b1w h ARG 101 Ca 0.22 -0.01 0.03 0.00 -0.50 0.00 0.00 59.98 59.72 2b1w h ARG 101 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.25 2b1w h ARG 101 CO -0.06 0.34 0.10 -1.35 0.00 0.00 0.00 179.97 179.00 2b1w h PRO 102 N -0.31 0.00 0.11 0.04 0.11 -1.74 -3.19 132.00 127.03 2b1w h PRO 102 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2b1w h PRO 102 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2b1w h PRO 102 CO 0.00 0.00 -0.05 -1.49 -0.21 0.00 0.00 178.00 176.25 2b1w h TRP 103 N 0.00 -0.13 0.00 0.65 6.55 -0.87 -3.33 115.95 118.82 2b1w h TRP 103 Ca 0.05 -0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.79 2b1w h TRP 103 Cb 0.24 0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.57 2b1w h TRP 103 CO 0.00 0.37 -0.46 1.37 -1.05 0.00 0.00 178.44 178.67 2b1w h LEU 104 N -0.76 0.00 -0.66 -4.49 -0.00 -1.35 -3.27 115.31 104.77 2b1w h LEU 104 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2b1w h LEU 104 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.17 2b1w h LEU 104 CO 0.02 0.46 0.38 0.25 -0.00 0.00 0.00 178.44 179.55 2b1w h LEU 105 N 0.00 0.57 -1.01 0.17 6.46 -1.66 0.60 115.31 120.44 2b1w h LEU 105 Ca -0.00 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 2b1w h LEU 105 Cb 0.83 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2b1w h LEU 105 CO 0.06 0.38 -0.44 1.05 -0.62 0.00 0.00 178.44 178.86 2b1w h GLU 106 N 0.70 0.10 0.00 1.25 -0.00 -1.72 -3.13 114.58 111.79 2b1w h GLU 106 Ca 0.29 -0.05 -0.15 0.00 -0.00 0.00 0.00 59.36 59.45 2b1w h GLU 106 Cb 0.15 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.87 2b1w h GLU 106 CO -0.16 0.53 -1.95 1.51 -0.00 0.00 0.00 179.01 178.94 2b1w n ILE 107 N -4.00 0.57 -0.04 -1.06 0.13 -0.93 -4.12 119.36 109.90 2b1w n ILE 107 Ca -0.02 -0.54 -0.15 0.00 -1.10 0.00 0.00 62.75 60.94 2b1w n ILE 107 Cb 0.48 -0.25 -0.07 0.00 -0.84 0.00 0.00 39.64 38.96 2b1w n ILE 107 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2b1w h GLY 108 N 3.15 0.68 -5.61 4.50 0.00 0.16 -3.41 103.07 102.54 2b1w h GLY 108 Ca -0.23 -0.88 -0.37 0.00 0.00 0.00 0.00 47.33 45.85 2b1w h GLY 108 CO 0.01 0.79 -0.75 0.33 0.00 0.00 0.00 176.54 176.92 2b1w n PHE 109 N -4.19 -2.29 -1.91 5.60 7.35 -1.18 -4.95 117.46 115.89 2b1w n PHE 109 Ca -0.07 -2.40 0.00 0.00 -0.76 0.00 0.00 57.45 54.22 2b1w n PHE 109 Cb 0.59 0.82 0.00 0.00 0.35 0.00 0.00 39.48 41.24 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43