#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 5.44 0.00 4.61 0.00 -1.26 -4.86 120.51 124.44 2b1w n ALA 13 Ca 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.92 2b1w n ALA 13 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.89 0.00 0.00 0.00 1.56 -1.25 -4.83 117.12 111.71 2b1w n MET 14 Ca 0.50 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.93 2b1w n MET 14 Cb 0.90 -0.56 0.00 0.00 2.15 0.00 0.00 33.22 35.71 2b1w n MET 14 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2b1w n GLU 15 N 0.00 0.00 -1.51 2.12 4.71 -1.26 -1.87 120.64 122.83 2b1w n GLU 15 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2b1w n GLU 15 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 2b1w n GLU 15 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2b1w n SER 16 N 3.52 -0.23 -2.98 1.62 3.41 -1.26 -5.02 113.62 112.68 2b1w n SER 16 Ca 0.00 -2.03 -0.03 0.00 -0.26 0.00 0.00 58.87 56.55 2b1w n SER 16 Cb 0.00 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2b1w n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2b1w n HIS 17 N -0.09 -2.65 0.00 7.33 8.25 -0.78 -5.00 115.22 122.28 2b1w n HIS 17 Ca -0.13 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 2b1w n HIS 17 Cb 0.87 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 28.04 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 -2.03 0.00 0.14 -0.41 -0.04 -1.26 -3.75 135.00 127.65 2b1w n PRO 18 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2b1w n PRO 18 Cb 0.53 -0.07 0.14 0.00 -0.04 0.00 0.00 33.50 34.05 2b1w n PRO 18 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2b1w h HIS 19 N 0.00 0.00 -0.87 0.54 2.07 -1.96 -2.91 115.15 112.03 2b1w h HIS 19 Ca 0.00 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.62 2b1w h HIS 19 Cb 0.00 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 29.90 2b1w h HIS 19 CO 0.00 0.60 0.51 -0.84 -3.07 0.00 0.00 177.93 175.13 2b1w h ILE 20 N 0.00 0.90 -0.16 6.12 3.07 -1.93 0.30 117.51 125.80 2b1w h ILE 20 Ca -0.01 -0.29 -0.03 0.00 1.55 0.00 0.00 64.86 66.09 2b1w h ILE 20 Cb 1.22 -0.00 -0.01 0.00 -0.27 0.00 0.00 36.82 37.76 2b1w h ILE 20 CO 0.08 0.15 -0.01 -0.61 -1.05 0.00 0.00 178.15 176.71 2b1w h GLN 21 N 0.83 0.30 -0.18 0.16 5.75 -1.60 -2.58 115.11 117.78 2b1w h GLN 21 Ca 0.43 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.85 2b1w h GLN 21 Cb 0.41 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2b1w h GLN 21 CO -0.26 0.53 0.01 1.25 -2.65 0.00 0.00 178.83 177.71 2b1w h LEU 22 N 0.03 -0.04 -1.00 -2.39 7.12 -1.27 -2.10 115.31 115.66 2b1w h LEU 22 Ca 0.05 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.14 2b1w h LEU 22 Cb 0.40 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 2b1w h LEU 22 CO 0.01 0.01 0.65 -0.07 -0.13 0.00 0.00 178.44 178.91 2b1w h LEU 23 N 0.08 1.08 -0.57 2.25 4.07 -0.32 -0.50 115.31 121.40 2b1w h LEU 23 Ca 0.08 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.89 2b1w h LEU 23 Cb 0.09 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 2b1w h LEU 23 CO -0.13 0.72 -0.51 0.07 -1.08 0.00 0.00 178.44 177.51 2b1w h LYS 24 N 1.24 0.54 -0.53 1.13 2.10 -1.28 -1.51 116.57 118.27 2b1w h LYS 24 Ca 0.41 -0.32 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 2b1w h LYS 24 Cb 0.05 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2b1w h LYS 24 CO -0.14 0.92 0.24 0.77 -2.00 0.00 0.00 179.45 179.25 2b1w h SER 25 N 0.43 0.70 -0.88 7.07 0.02 -0.46 -2.51 113.55 117.92 2b1w h SER 25 Ca 0.02 -0.14 -0.58 0.00 -0.84 0.00 0.00 61.79 60.24 2b1w h SER 25 Cb 1.04 -0.18 -0.31 0.00 0.14 0.00 0.00 62.40 63.09 2b1w h SER 25 CO 0.10 0.65 0.38 -0.46 -1.14 0.00 0.00 176.83 176.35 2b1w n ASN 26 N -4.57 6.09 -0.10 3.07 2.04 -0.34 -4.69 115.26 116.75 2b1w n ASN 26 Ca 0.02 -3.76 -0.06 0.00 -0.44 0.00 0.00 54.58 50.35 2b1w n ASN 26 Cb 0.13 -0.79 0.02 0.00 -2.53 0.00 0.00 39.78 36.61 2b1w n ASN 26 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2b1w h ARG 27 N 1.82 0.17 -0.71 -3.83 2.47 -0.80 -2.37 114.38 111.13 2b1w h ARG 27 Ca 0.52 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 59.28 2b1w h ARG 27 Cb 1.31 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.55 2b1w h ARG 27 CO 1.23 0.11 0.47 0.93 0.56 0.00 0.00 179.97 183.27 2b1w h GLU 28 N 0.17 0.76 -0.03 0.04 5.08 -1.84 0.52 114.58 119.27 2b1w h GLU 28 Ca 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2b1w h GLU 28 Cb 0.20 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2b1w h GLU 28 CO -0.23 0.50 0.02 1.25 -1.00 0.00 0.00 179.01 179.54 2b1w h LEU 29 N 0.78 0.04 -0.93 1.33 5.85 -1.81 -1.56 115.31 119.01 2b1w h LEU 29 Ca 0.30 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 2b1w h LEU 29 Cb 0.18 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2b1w h LEU 29 CO -0.09 0.15 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.62 2b1w h LEU 30 N -0.07 0.17 0.04 2.25 4.07 -0.85 -0.78 115.31 120.13 2b1w h LEU 30 Ca 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2b1w h LEU 30 Cb 0.12 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2b1w h LEU 30 CO -0.00 0.61 -0.02 0.58 -1.08 0.00 0.00 178.44 178.53 2b1w h VAL 31 N 0.13 1.05 0.00 1.22 2.07 0.17 -2.95 116.25 117.93 2b1w h VAL 31 Ca 0.01 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2b1w h VAL 31 Cb 0.88 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2b1w h VAL 31 CO 0.07 0.07 -0.50 0.00 0.02 0.00 0.00 177.57 177.24 2b1w h THR 32 N -0.18 1.25 -0.38 2.57 1.03 -1.22 -3.36 112.91 112.61 2b1w h THR 32 Ca -0.01 -1.76 0.04 0.00 -0.01 0.00 0.00 66.41 64.67 2b1w h THR 32 Cb 0.17 1.98 -0.05 0.00 -1.07 0.00 0.00 68.15 69.17 2b1w h THR 32 CO 0.01 0.49 -0.28 0.45 -0.01 0.00 0.00 175.52 176.18 2b1w h HIS 33 N 0.00 -0.88 0.00 0.00 -0.00 -0.95 -3.44 115.15 109.88 2b1w h HIS 33 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2b1w h HIS 33 Cb 0.94 0.43 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2b1w h HIS 33 CO 0.00 -0.20 0.00 -0.89 -0.00 0.00 0.00 177.93 176.84 2b1w n ILE 34 N -4.04 0.01 0.00 2.45 2.08 -1.25 -5.04 119.36 113.56 2b1w n ILE 34 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2b1w n ILE 34 Cb 0.14 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 2b1w n ILE 34 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2b1w n ARG 35 N -2.83 0.02 0.00 0.38 5.12 -1.26 -5.02 116.66 113.06 2b1w n ARG 35 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2b1w n ARG 35 Cb 0.00 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 2b1w n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2b1w n ASN 36 N -1.61 0.00 0.29 0.55 5.15 -1.26 -4.60 115.26 113.79 2b1w n ASN 36 Ca 0.00 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.17 2b1w n ASN 36 Cb 0.07 0.00 1.02 0.00 -0.53 0.00 0.00 39.78 40.34 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 0.00 -0.08 -0.44 1.35 -1.93 -0.66 112.91 111.15 2b1w h THR 37 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 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 0.06 1.56 -0.25 0.00 0.00 175.52 176.89 2b1w h GLN 38 N 0.00 0.00 -0.28 4.72 1.08 -1.94 -2.10 115.11 116.60 2b1w h GLN 38 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2b1w h GLN 38 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2b1w h GLN 38 CO 0.00 0.00 0.18 0.00 -0.95 0.00 0.00 178.83 178.06 2b1w h LEU 40 N 0.37 0.47 -0.54 0.00 8.10 -1.57 -2.87 115.31 119.28 2b1w h LEU 40 Ca 0.10 -0.28 -0.08 0.00 0.11 0.00 0.00 57.88 57.73 2b1w h LEU 40 Cb -0.04 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.02 2b1w h LEU 40 CO -0.02 0.98 0.01 -0.37 -4.11 0.00 0.00 178.44 174.93 2b1w h VAL 41 N 0.30 1.26 -0.04 0.15 -1.51 -1.46 0.37 116.25 115.33 2b1w h VAL 41 Ca -0.01 -1.09 -0.06 0.00 -1.23 0.00 0.00 66.70 64.31 2b1w h VAL 41 Cb 1.17 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2b1w h VAL 41 CO 0.11 0.39 -0.27 -2.24 -1.23 0.00 0.00 177.57 174.33 2b1w h ASP 42 N 0.81 0.07 0.02 4.19 3.04 -1.55 -0.76 116.42 122.24 2b1w h ASP 42 Ca 0.15 -0.02 -0.20 0.00 -3.24 0.00 0.00 57.03 53.73 2b1w h ASP 42 Cb 0.52 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 2b1w h ASP 42 CO 0.03 0.34 -0.71 -1.13 -2.04 0.00 0.00 179.24 175.73 2b1w h ASN 43 N 0.06 0.72 0.54 4.15 -1.24 -1.17 -2.59 115.58 116.05 2b1w h ASN 43 Ca 0.01 -0.45 -0.19 0.00 0.71 0.00 0.00 56.30 56.38 2b1w h ASN 43 Cb 0.51 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2b1w h ASN 43 CO 0.04 1.21 -0.85 0.17 -1.29 0.00 0.00 177.43 176.72 2b1w h LEU 44 N 0.43 0.28 -0.52 0.34 8.10 0.13 0.34 115.31 124.40 2b1w h LEU 44 Ca -0.03 -0.22 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 2b1w h LEU 44 Cb 1.30 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.41 2b1w h LEU 44 CO 0.14 1.00 0.28 0.25 -4.11 0.00 0.00 178.44 176.00 2b1w h LEU 45 N 0.13 0.66 0.00 0.17 7.12 -1.18 0.17 115.31 122.37 2b1w h LEU 45 Ca -0.04 -0.09 -0.26 0.00 0.13 0.00 0.00 57.88 57.62 2b1w h LEU 45 Cb 1.46 -0.17 0.02 0.00 -0.53 0.00 0.00 40.66 41.44 2b1w h LEU 45 CO 0.13 0.56 -1.01 0.50 -0.13 0.00 0.00 178.44 178.49 2b1w h LYS 46 N 0.70 0.68 0.00 1.25 1.63 -1.02 -3.34 116.57 116.46 2b1w h LYS 46 Ca 0.18 -0.73 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 2b1w h LYS 46 Cb 0.05 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2b1w h LYS 46 CO -0.03 1.31 -1.41 0.09 -3.45 0.00 0.00 179.45 175.96 2b1w n ASN 47 N -3.89 0.59 -2.23 4.20 3.02 0.12 -4.99 115.26 112.08 2b1w n ASN 47 Ca -0.11 -0.57 -0.18 0.00 -0.03 0.00 0.00 54.58 53.69 2b1w n ASN 47 Cb 0.87 1.42 -0.02 0.00 -0.61 0.00 0.00 39.78 41.43 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 -1.82 -5.12 0.00 6.41 2.03 0.59 -4.45 116.55 114.19 2b1w n ASP 48 Ca 0.01 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2b1w n ASP 48 Cb 0.43 -4.35 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 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 -3.47 0.00 0.78 -0.67 4.11 -1.26 -4.93 117.16 111.73 2b1w n TYR 49 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.69 2b1w n TYR 49 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.99 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 -1.22 -3.48 3.72 -1.26 -4.11 117.46 111.10 2b1w n PHE 50 Ca 0.00 -0.30 -0.27 0.00 -0.05 0.00 0.00 57.45 56.83 2b1w n PHE 50 Cb 0.00 -0.18 0.22 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.49 -1.48 -0.22 4.37 3.41 -1.26 -4.46 113.62 114.48 2b1w n SER 51 Ca 0.00 -1.20 0.28 0.00 -0.26 0.00 0.00 58.87 57.69 2b1w n SER 51 Cb 0.35 -0.93 0.68 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.46 2.74 -0.06 7.33 0.00 -1.88 0.36 119.26 125.29 2b1w h ALA 52 Ca -0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2b1w h ALA 52 Cb 1.14 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2b1w h ALA 52 CO 0.26 -1.03 0.03 0.93 0.00 0.00 0.00 179.25 179.44 2b1w h GLU 53 N 0.09 0.08 -0.34 0.00 3.07 -1.90 0.67 114.58 116.25 2b1w h GLU 53 Ca 0.47 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 59.16 2b1w h GLU 53 Cb 1.69 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.58 2b1w h GLU 53 CO -0.06 0.14 -0.42 0.22 -1.40 0.00 0.00 179.01 177.50 2b1w h ASP 54 N -0.00 0.90 -0.74 1.42 3.58 -1.23 -2.88 116.42 117.47 2b1w h ASP 54 Ca 0.02 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 57.07 2b1w h ASP 54 Cb 0.08 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 2b1w h ASP 54 CO -0.00 1.20 0.47 0.00 -2.88 0.00 0.00 179.24 178.03 2b1w h ALA 55 N 0.84 0.96 -0.54 -0.78 0.00 -0.20 -2.79 119.26 116.75 2b1w h ALA 55 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2b1w h ALA 55 Cb 0.99 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2b1w h ALA 55 CO 0.10 0.28 0.31 1.49 0.00 0.00 0.00 179.25 181.42 2b1w h GLU 56 N 0.93 0.59 0.11 0.00 4.57 0.55 0.32 114.58 121.66 2b1w h GLU 56 Ca 0.29 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2b1w h GLU 56 Cb -0.01 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2b1w h GLU 56 CO -0.10 0.39 -0.05 0.82 -1.18 0.00 0.00 179.01 178.88 2b1w h ILE 57 N 0.60 0.91 -0.18 2.32 1.08 -1.32 -3.07 117.51 117.85 2b1w h ILE 57 Ca 0.23 -0.09 -0.20 0.00 -0.39 0.00 0.00 64.86 64.40 2b1w h ILE 57 Cb 0.07 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2b1w h ILE 57 CO -0.12 0.02 -0.69 0.58 -0.69 0.00 0.00 178.15 177.26 2b1w h VAL 58 N -0.20 1.30 -0.05 1.67 2.07 -1.36 -3.28 116.25 116.40 2b1w h VAL 58 Ca -0.02 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.60 2b1w h VAL 58 Cb 0.16 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2b1w h VAL 58 CO 0.03 0.61 0.16 0.00 0.02 0.00 0.00 177.57 178.38 2b1w h ALA 60 N 1.73 2.94 0.00 0.00 0.00 -1.61 0.11 119.26 122.43 2b1w h ALA 60 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2b1w h ALA 60 Cb 0.34 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2b1w h ALA 60 CO -0.00 -1.49 -0.33 0.00 0.00 0.00 0.00 179.25 177.43 2b1w n PRO 62 N -3.27 1.58 -0.92 0.00 -0.02 -1.23 -5.00 135.00 126.13 2b1w n PRO 62 Ca -0.05 -0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.04 2b1w n PRO 62 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.05 0.00 -0.08 3.45 -2.24 0.36 -2.61 114.28 113.21 2b1w n THR 63 Ca 0.05 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 2b1w n THR 63 Cb 0.33 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.43 -0.95 -0.78 4.20 -1.91 -2.64 115.11 113.45 2b1w h GLN 64 Ca 0.02 -0.12 0.08 0.00 0.06 0.00 0.00 58.65 58.68 2b1w h GLN 64 Cb 0.84 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.50 2b1w h GLN 64 CO 0.01 0.57 0.62 -1.00 -0.67 0.00 0.00 178.83 178.35 2b1w h PRO 65 N 0.22 1.03 -0.07 1.46 0.13 -1.97 0.06 132.00 132.86 2b1w h PRO 65 Ca 0.07 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 2b1w h PRO 65 Cb 0.36 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 2b1w h PRO 65 CO 0.01 0.68 -0.57 0.22 -0.23 0.00 0.00 178.00 178.11 2b1w h ASP 66 N 1.06 0.26 -0.89 1.44 3.58 -1.51 -2.84 116.42 117.51 2b1w h ASP 66 Ca 0.42 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2b1w h ASP 66 Cb 0.26 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2b1w h ASP 66 CO -0.18 0.77 0.53 0.50 -2.88 0.00 0.00 179.24 177.99 2b1w h LYS 67 N 0.18 1.21 -0.30 0.28 1.63 -0.68 -0.93 116.57 117.96 2b1w h LYS 67 Ca -0.00 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.58 2b1w h LYS 67 Cb 1.05 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2b1w h LYS 67 CO 0.09 0.85 -0.25 -0.39 -3.45 0.00 0.00 179.45 176.30 2b1w h VAL 68 N 1.23 1.27 -0.64 2.00 -1.51 -1.02 -1.40 116.25 116.17 2b1w h VAL 68 Ca 0.32 -1.31 0.10 0.00 -1.23 0.00 0.00 66.70 64.59 2b1w h VAL 68 Cb -0.04 1.31 -0.08 0.00 -2.13 0.00 0.00 31.29 30.36 2b1w h VAL 68 CO -0.06 0.42 0.23 -0.09 -1.23 0.00 0.00 177.57 176.85 2b1w h ARG 69 N 0.51 0.40 -0.58 5.19 9.65 -1.05 0.95 114.38 129.45 2b1w h ARG 69 Ca 0.07 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 2b1w h ARG 69 Cb 0.70 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2b1w h ARG 69 CO 0.05 0.26 0.29 -0.22 2.80 0.00 0.00 179.97 183.16 2b1w h LYS 70 N 0.41 0.82 -0.32 0.20 3.11 -0.47 0.20 116.57 120.52 2b1w h LYS 70 Ca 0.33 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.96 2b1w h LYS 70 Cb 0.43 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 2b1w h LYS 70 CO -0.33 0.65 -0.19 -0.84 -2.81 0.00 0.00 179.45 175.93 2b1w h ILE 71 N 0.78 1.29 -0.22 2.00 3.07 -0.70 -1.68 117.51 122.05 2b1w h ILE 71 Ca 0.20 -1.31 -0.08 0.00 1.55 0.00 0.00 64.86 65.21 2b1w h ILE 71 Cb 0.09 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.07 2b1w h ILE 71 CO -0.03 0.43 -0.22 -0.07 -1.05 0.00 0.00 178.15 177.20 2b1w h LEU 72 N 0.47 0.40 -0.26 0.16 4.07 -0.72 -1.99 115.31 117.43 2b1w h LEU 72 Ca 0.07 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 2b1w h LEU 72 Cb 0.73 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 2b1w h LEU 72 CO 0.05 0.64 -0.06 -0.78 -1.08 0.00 0.00 178.44 177.21 2b1w h ASP 73 N 0.37 0.51 0.70 -0.43 3.58 -0.39 -1.62 116.42 119.13 2b1w h ASP 73 Ca 0.06 -0.37 -0.12 0.00 0.42 0.00 0.00 57.03 57.02 2b1w h ASP 73 Cb 0.60 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2b1w h ASP 73 CO 0.04 0.76 -0.57 -0.07 -2.88 0.00 0.00 179.24 176.52 2b1w h LEU 74 N 0.25 0.00 -0.23 2.28 4.07 -1.25 -3.05 115.31 117.38 2b1w h LEU 74 Ca 0.07 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.90 2b1w h LEU 74 Cb 0.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2b1w h LEU 74 CO 0.03 0.57 -0.33 1.62 -1.08 0.00 0.00 178.44 179.24 2b1w h VAL 75 N 0.00 1.32 0.00 1.22 3.04 -1.26 -3.47 116.25 117.11 2b1w h VAL 75 Ca -0.01 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.15 2b1w h VAL 75 Cb 1.07 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 2b1w h VAL 75 CO 0.07 0.48 0.00 0.00 -1.01 0.00 0.00 177.57 177.11 2b1w n GLN 76 N -4.28 0.00 0.02 4.17 6.02 -0.62 -4.29 117.38 118.40 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 0.50 -3.00 0.00 0.00 1.02 0.00 0.00 30.24 28.76 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 -0.22 -1.92 1.08 7.64 -1.26 -3.88 113.62 115.06 2b1w n SER 77 Ca 0.00 0.08 -0.11 0.00 1.01 0.00 0.00 58.87 59.86 2b1w n SER 77 Cb 0.00 0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 2b1w n SER 77 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2b1w n LYS 78 N -2.62 1.80 0.05 1.43 4.76 -1.26 -1.19 118.16 121.12 2b1w n LYS 78 Ca 0.00 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.55 2b1w n LYS 78 Cb 0.00 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 2b1w n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b1w n GLY 79 N 2.09 -0.75 0.25 0.72 0.00 -1.26 -4.69 105.19 101.56 2b1w n GLY 79 Ca 0.33 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 2b1w n GLY 79 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b1w h GLU 80 N 0.00 -0.19 -0.01 1.61 4.57 -1.68 0.48 114.58 119.36 2b1w h GLU 80 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2b1w h GLU 80 Cb 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2b1w h GLU 80 CO 0.00 -0.13 -0.18 1.49 -1.18 0.00 0.00 179.01 179.01 2b1w h GLU 81 N -0.20 0.14 -0.19 1.92 4.81 -1.49 -3.13 114.58 116.44 2b1w h GLU 81 Ca 0.15 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2b1w h GLU 81 Cb 0.43 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2b1w h GLU 81 CO -0.39 0.86 -0.52 -0.39 -0.73 0.00 0.00 179.01 177.84 2b1w h VAL 82 N -0.53 1.31 -0.25 0.32 -1.51 -1.74 -2.88 116.25 110.97 2b1w h VAL 82 Ca -0.02 -1.75 -0.03 0.00 -1.23 0.00 0.00 66.70 63.67 2b1w h VAL 82 Cb 0.92 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2b1w h VAL 82 CO 0.04 0.55 0.04 0.28 -1.23 0.00 0.00 177.57 177.25 2b1w h SER 83 N 0.40 0.40 -0.66 4.19 0.02 -1.02 0.14 113.55 117.02 2b1w h SER 83 Ca -0.01 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2b1w h SER 83 Cb 1.14 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2b1w h SER 83 CO 0.11 0.56 0.11 1.05 -1.14 0.00 0.00 176.83 177.52 2b1w h GLU 84 N 0.23 1.10 -0.07 3.45 4.11 -1.64 -2.16 114.58 119.59 2b1w h GLU 84 Ca 0.08 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 2b1w h GLU 84 Cb 0.33 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2b1w h GLU 84 CO 0.00 1.00 0.02 0.35 0.07 0.00 0.00 179.01 180.45 2b1w h PHE 85 N 1.03 0.12 0.04 2.06 3.57 -1.23 -1.72 116.94 120.80 2b1w h PHE 85 Ca 0.20 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 2b1w h PHE 85 Cb 0.43 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2b1w h PHE 85 CO 0.03 0.30 -0.02 0.35 -2.23 0.00 0.00 178.31 176.74 2b1w h PHE 86 N -0.09 -0.05 -0.14 0.41 3.04 -0.67 0.51 116.94 119.95 2b1w h PHE 86 Ca 0.02 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 2b1w h PHE 86 Cb 0.24 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2b1w h PHE 86 CO 0.00 0.29 -0.25 1.37 -2.02 0.00 0.00 178.31 177.70 2b1w h LEU 87 N -0.38 0.24 -0.66 0.59 8.10 -1.45 -1.68 115.31 120.06 2b1w h LEU 87 Ca -0.00 -0.07 -0.14 0.00 0.11 0.00 0.00 57.88 57.77 2b1w h LEU 87 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.49 2b1w h LEU 87 CO 0.01 0.49 -0.62 1.88 -4.11 0.00 0.00 178.44 176.09 2b1w h TYR 88 N 0.22 0.23 -0.34 0.17 0.05 -1.17 -0.90 116.97 115.22 2b1w h TYR 88 Ca 0.04 -0.09 0.07 0.00 0.05 0.00 0.00 58.73 58.80 2b1w h TYR 88 Cb 0.56 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 2b1w h TYR 88 CO 0.01 0.75 -0.18 -0.07 -1.05 0.00 0.00 178.16 177.62 2b1w h LEU 89 N 0.13 -0.60 -0.54 3.88 3.38 0.09 0.56 115.31 122.22 2b1w h LEU 89 Ca -0.01 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2b1w h LEU 89 Cb 1.13 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2b1w h LEU 89 CO 0.09 -0.21 -0.37 -0.07 0.09 0.00 0.00 178.44 177.97 2b1w h LEU 90 N -0.13 0.82 0.03 1.67 3.38 -1.54 -3.39 115.31 116.17 2b1w h LEU 90 Ca 0.17 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2b1w h LEU 90 Cb 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2b1w h LEU 90 CO -0.42 1.10 -0.02 -0.61 0.09 0.00 0.00 178.44 178.59 2b1w h GLN 91 N 0.65 -0.04 0.00 1.13 4.15 0.35 -3.48 115.11 117.87 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 0.92 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.62 2b1w h GLN 91 CO 0.08 0.64 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 2b1w n GLN 92 N -4.74 0.00 0.10 1.69 10.64 0.18 -4.95 117.38 120.30 2b1w n GLN 92 Ca -0.08 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.96 2b1w n GLN 92 Cb 0.34 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.65 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 -0.14 -0.65 2.61 3.38 -1.74 0.16 115.31 118.92 2b1w h LEU 93 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2b1w h LEU 93 Cb 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2b1w h LEU 93 CO 0.00 -0.08 0.38 0.00 0.09 0.00 0.00 178.44 178.83 2b1w h ALA 94 N 0.68 0.84 0.00 1.53 0.00 -1.98 -1.96 119.26 118.37 2b1w h ALA 94 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2b1w h ALA 94 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2b1w h ALA 94 CO 0.03 0.33 -0.02 0.22 0.00 0.00 0.00 179.25 179.81 2b1w h ASP 95 N 0.89 0.01 0.18 0.00 3.58 -1.93 -3.30 116.42 115.85 2b1w h ASP 95 Ca 0.23 -0.99 -0.24 0.00 0.42 0.00 0.00 57.03 56.45 2b1w h ASP 95 Cb 0.01 -0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.08 2b1w h ASP 95 CO -0.04 1.00 -1.09 0.00 -2.88 0.00 0.00 179.24 176.23 2b1w h ALA 96 N 0.01 -0.09 0.01 -0.78 0.00 -0.76 -3.24 119.26 114.41 2b1w h ALA 96 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 2b1w h ALA 96 Cb 1.01 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2b1w h ALA 96 CO 0.00 0.52 -0.00 -0.92 0.00 0.00 0.00 179.25 178.85 2b1w h TYR 97 N -0.20 -0.01 -0.39 0.00 5.03 -1.43 -2.88 116.97 117.09 2b1w h TYR 97 Ca -0.19 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 60.99 2b1w h TYR 97 Cb 1.83 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.10 2b1w h TYR 97 CO 0.17 0.81 -0.26 0.28 -1.32 0.00 0.00 178.16 177.84 2b1w h VAL 98 N -0.94 1.27 0.00 1.81 2.07 -1.63 -2.92 116.25 115.91 2b1w h VAL 98 Ca -0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2b1w h VAL 98 Cb 0.83 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2b1w h VAL 98 CO 0.00 0.47 0.00 -0.67 0.02 0.00 0.00 177.57 177.39 2b1w n ASP 99 N -4.09 0.20 0.30 0.57 2.03 -1.22 -4.05 116.55 110.28 2b1w n ASP 99 Ca -0.00 0.53 0.18 0.00 0.52 0.00 0.00 54.79 56.01 2b1w n ASP 99 Cb 0.46 -0.58 0.95 0.00 -0.72 0.00 0.00 41.12 41.23 2b1w n ASP 99 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2b1w h LEU 100 N 0.00 0.00 0.42 -2.67 5.85 -1.30 -3.21 115.31 114.39 2b1w h LEU 100 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2b1w h LEU 100 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2b1w h LEU 100 CO 0.00 0.00 -0.20 0.03 -0.34 0.00 0.00 178.44 177.93 2b1w h ARG 101 N 0.00 -0.54 0.00 1.25 -0.00 -1.82 -1.79 114.38 111.48 2b1w h ARG 101 Ca 0.00 0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 2b1w h ARG 101 Cb 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.32 2b1w h ARG 101 CO 0.00 -0.33 -0.07 -1.00 0.00 0.00 0.00 179.97 178.57 2b1w h PRO 102 N -0.62 0.00 0.25 0.04 0.13 -1.91 -2.15 132.00 127.75 2b1w h PRO 102 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2b1w h PRO 102 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2b1w h PRO 102 CO 0.09 0.07 -0.12 -1.49 -0.23 0.00 0.00 178.00 176.32 2b1w h TRP 103 N 0.00 -0.31 0.00 1.56 4.06 -1.51 -3.12 115.95 116.63 2b1w h TRP 103 Ca -0.00 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 2b1w h TRP 103 Cb 0.17 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2b1w h TRP 103 CO 0.00 -0.03 -0.46 1.37 -3.56 0.00 0.00 178.44 175.76 2b1w h LEU 104 N -0.58 0.00 -1.36 -4.49 8.10 -1.23 -3.29 115.31 112.47 2b1w h LEU 104 Ca -0.03 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.00 2b1w h LEU 104 Cb 0.42 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.60 2b1w h LEU 104 CO 0.06 0.46 0.47 0.25 -4.11 0.00 0.00 178.44 175.57 2b1w h LEU 105 N 0.00 0.70 -0.18 0.17 5.85 -1.32 0.75 115.31 121.28 2b1w h LEU 105 Ca -0.00 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2b1w h LEU 105 Cb 0.84 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2b1w h LEU 105 CO 0.06 0.47 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.17 2b1w h GLU 106 N 0.81 0.42 0.00 1.25 5.08 -1.66 -1.58 114.58 118.90 2b1w h GLU 106 Ca 0.30 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2b1w h GLU 106 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2b1w h GLU 106 CO -0.09 0.75 -1.08 0.97 -1.00 0.00 0.00 179.01 178.56 2b1w h ILE 107 N 0.09 0.44 -0.00 3.13 6.09 -1.58 -3.20 117.51 122.48 2b1w h ILE 107 Ca 0.04 -1.78 0.00 0.00 -1.37 0.00 0.00 64.86 61.75 2b1w h ILE 107 Cb 0.65 2.00 0.00 0.00 0.47 0.00 0.00 36.82 39.93 2b1w h ILE 107 CO 0.04 0.25 -0.17 0.61 -3.07 0.00 0.00 178.15 175.80 2b1w n GLY 108 N 1.30 -0.96 1.59 8.18 0.00 0.26 -4.95 105.19 110.61 2b1w n GLY 108 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2b1w n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b1w n PHE 109 N -1.00 -2.35 0.00 1.61 3.01 -0.63 -5.00 117.46 113.09 2b1w n PHE 109 Ca 0.12 1.40 0.00 0.00 1.01 0.00 0.00 57.45 59.98 2b1w n PHE 109 Cb 0.30 -2.88 0.00 0.00 -0.01 0.00 0.00 39.48 36.89 2b1w n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22