#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w h ALA 13 N 0.00 0.99 -0.84 4.61 0.00 -2.07 -3.47 119.26 118.48 2b1w h ALA 13 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b1w h ALA 13 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b1w h ALA 13 CO 0.00 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2b1w n MET 14 N -3.10 0.00 -3.62 0.00 2.00 -1.26 -4.81 117.12 106.33 2b1w n MET 14 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.46 2b1w n MET 14 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.74 2b1w n MET 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2b1w n GLU 15 N 0.00 -4.98 -1.54 0.03 -0.58 -1.26 -4.90 120.64 107.41 2b1w n GLU 15 Ca 0.00 0.63 -0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2b1w n GLU 15 Cb 0.00 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.40 2b1w n GLU 15 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2b1w n SER 16 N -2.65 -0.15 -3.33 1.62 2.88 -1.26 -5.10 113.62 105.62 2b1w n SER 16 Ca 0.00 -1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 56.20 2b1w n SER 16 Cb 0.55 0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 64.18 2b1w n SER 16 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2b1w n HIS 17 N -0.06 2.41 0.05 0.66 8.25 -1.26 -4.94 115.22 120.33 2b1w n HIS 17 Ca -0.00 -3.97 -0.02 0.00 -0.26 0.00 0.00 57.72 53.47 2b1w n HIS 17 Cb 0.05 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.66 2b1w n HIS 17 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2b1w h PRO 18 N 4.06 -0.14 -0.00 -0.41 0.11 -1.96 -2.80 132.00 130.86 2b1w h PRO 18 Ca 0.16 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 2b1w h PRO 18 Cb 0.73 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 2b1w h PRO 18 CO 0.72 -0.09 -0.73 0.45 -0.21 0.00 0.00 178.00 178.14 2b1w h HIS 19 N -0.24 0.04 -0.32 0.65 3.86 -1.95 -3.03 115.15 114.15 2b1w h HIS 19 Ca -0.02 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2b1w h HIS 19 Cb 0.11 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 2b1w h HIS 19 CO 0.10 0.75 0.08 0.82 0.86 0.00 0.00 177.93 180.53 2b1w h ILE 20 N 0.02 0.87 -0.32 2.45 2.04 -1.92 0.22 117.51 120.86 2b1w h ILE 20 Ca -0.01 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2b1w h ILE 20 Cb 1.29 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2b1w h ILE 20 CO 0.10 0.04 -0.10 1.56 0.00 0.00 0.00 178.15 179.75 2b1w h GLN 21 N 0.20 0.62 -0.01 2.37 7.50 -1.49 -3.01 115.11 121.30 2b1w h GLN 21 Ca 0.15 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 59.05 2b1w h GLN 21 Cb 0.14 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.64 2b1w h GLN 21 CO -0.18 0.82 0.00 1.37 -1.50 0.00 0.00 178.83 179.34 2b1w h LEU 22 N 0.39 0.01 -1.43 1.46 8.10 -1.33 -3.18 115.31 119.34 2b1w h LEU 22 Ca 0.08 -0.27 0.00 0.00 0.11 0.00 0.00 57.88 57.80 2b1w h LEU 22 Cb 0.60 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 2b1w h LEU 22 CO 0.04 0.28 0.36 -0.07 -4.11 0.00 0.00 178.44 174.93 2b1w h LEU 23 N -0.25 0.64 -1.22 0.17 4.07 -0.66 -2.25 115.31 115.81 2b1w h LEU 23 Ca 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2b1w h LEU 23 Cb 0.27 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2b1w h LEU 23 CO 0.00 0.48 -0.23 0.07 -1.08 0.00 0.00 178.44 177.68 2b1w h LYS 24 N 0.76 0.24 -0.43 1.13 5.09 -1.51 -1.40 116.57 120.45 2b1w h LYS 24 Ca 0.20 -0.08 -0.06 0.00 0.09 0.00 0.00 60.65 60.80 2b1w h LYS 24 Cb -0.07 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.22 2b1w h LYS 24 CO -0.04 0.47 0.02 0.77 -2.09 0.00 0.00 179.45 178.57 2b1w h SER 25 N 0.22 0.73 -0.43 7.07 0.02 -1.43 -2.93 113.55 116.80 2b1w h SER 25 Ca 0.04 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.56 2b1w h SER 25 Cb 0.54 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 2b1w h SER 25 CO 0.04 0.85 0.17 -0.46 -1.14 0.00 0.00 176.83 176.28 2b1w n ASN 26 N -4.43 3.56 -0.16 3.07 0.23 -0.91 -4.05 115.26 112.57 2b1w n ASN 26 Ca -0.00 -2.70 0.01 0.00 -0.53 0.00 0.00 54.58 51.35 2b1w n ASN 26 Cb 0.28 -0.65 0.27 0.00 -2.08 0.00 0.00 39.78 37.61 2b1w n ASN 26 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 2b1w h ARG 27 N 1.47 0.87 -0.82 -3.83 2.47 -1.07 0.12 114.38 113.59 2b1w h ARG 27 Ca 0.17 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2b1w h ARG 27 Cb 1.67 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.76 2b1w h ARG 27 CO 0.44 0.61 0.50 0.93 0.56 0.00 0.00 179.97 183.01 2b1w h GLU 28 N 0.89 1.11 0.02 0.04 5.08 -1.83 0.34 114.58 120.24 2b1w h GLU 28 Ca 0.23 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2b1w h GLU 28 Cb -0.04 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.98 2b1w h GLU 28 CO -0.04 0.78 -0.01 1.25 -1.00 0.00 0.00 179.01 179.98 2b1w h LEU 29 N 1.12 -0.02 -0.83 1.33 5.85 -1.61 -2.84 115.31 118.31 2b1w h LEU 29 Ca 0.29 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2b1w h LEU 29 Cb -0.05 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2b1w h LEU 29 CO -0.06 0.46 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.93 2b1w h LEU 30 N -0.52 0.21 -0.35 2.25 4.07 -0.66 0.21 115.31 120.53 2b1w h LEU 30 Ca -0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 2b1w h LEU 30 Cb 0.49 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2b1w h LEU 30 CO 0.00 0.69 0.05 1.62 -1.08 0.00 0.00 178.44 179.72 2b1w h VAL 31 N 0.16 1.24 0.00 1.22 3.04 -0.38 -2.79 116.25 118.74 2b1w h VAL 31 Ca 0.00 -0.84 -0.11 0.00 -1.01 0.00 0.00 66.70 64.74 2b1w h VAL 31 Cb 0.95 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 2b1w h VAL 31 CO 0.08 0.28 -0.52 0.00 -1.01 0.00 0.00 177.57 176.40 2b1w h THR 32 N 0.41 1.22 0.00 3.17 1.03 -1.40 -3.36 112.91 113.98 2b1w h THR 32 Ca 0.11 -1.86 0.00 0.00 -0.01 0.00 0.00 66.41 64.65 2b1w h THR 32 Cb 0.36 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 2b1w h THR 32 CO 0.01 0.51 0.00 1.41 -0.01 0.00 0.00 175.52 177.43 2b1w n HIS 33 N -3.71 0.00 0.00 0.00 -0.00 0.05 -4.90 115.22 106.66 2b1w n HIS 33 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2b1w n HIS 33 Cb 0.57 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2b1w n HIS 33 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2b1w n ILE 34 N -1.99 0.00 -0.08 1.59 5.41 -1.24 -5.06 119.36 117.99 2b1w n ILE 34 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2b1w n ILE 34 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 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 -1.81 0.35 0.00 0.38 5.12 -1.26 -4.98 116.66 114.45 2b1w n ARG 35 Ca 0.00 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2b1w n ARG 35 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 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 -3.44 0.00 0.14 0.55 5.15 -1.25 -4.54 115.26 111.88 2b1w n ASN 36 Ca -0.30 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 53.77 2b1w n ASN 36 Cb 0.74 0.00 0.48 0.00 -0.53 0.00 0.00 39.78 40.47 2b1w n ASN 36 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2b1w n THR 37 N 0.00 1.08 0.27 -0.44 5.66 -1.26 -1.94 114.28 117.64 2b1w n THR 37 Ca 0.00 0.71 0.11 0.00 -3.05 0.00 0.00 64.05 61.82 2b1w n THR 37 Cb 0.00 -1.71 0.72 0.00 -1.55 0.00 0.00 70.33 67.79 2b1w n THR 37 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2b1w h GLN 38 N 0.00 0.00 -0.21 1.09 1.08 -1.93 -2.47 115.11 112.67 2b1w h GLN 38 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2b1w h GLN 38 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2b1w h GLN 38 CO 0.00 0.06 0.07 0.00 -0.95 0.00 0.00 178.83 178.02 2b1w h LEU 40 N 0.18 0.66 -0.25 0.00 8.10 -1.67 -2.01 115.31 120.33 2b1w h LEU 40 Ca 0.07 -0.33 -0.01 0.00 0.11 0.00 0.00 57.88 57.72 2b1w h LEU 40 Cb 0.21 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.23 2b1w h LEU 40 CO -0.00 1.04 0.11 -0.37 -4.11 0.00 0.00 178.44 175.11 2b1w h VAL 41 N 0.48 1.16 0.00 0.15 -1.51 -1.56 0.22 116.25 115.19 2b1w h VAL 41 Ca 0.02 -0.48 -0.06 0.00 -1.23 0.00 0.00 66.70 64.95 2b1w h VAL 41 Cb 1.03 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2b1w h VAL 41 CO 0.10 0.16 -0.30 -0.78 -1.23 0.00 0.00 177.57 175.52 2b1w h ASP 42 N 0.26 0.00 -0.22 4.19 3.58 -1.51 0.29 116.42 123.01 2b1w h ASP 42 Ca 0.08 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.47 2b1w h ASP 42 Cb 0.15 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2b1w h ASP 42 CO -0.01 0.30 -0.07 -1.13 -2.88 0.00 0.00 179.24 175.45 2b1w h ASN 43 N 0.00 0.55 0.25 2.28 -1.24 -0.80 -0.20 115.58 116.42 2b1w h ASN 43 Ca -0.00 -0.13 -0.22 0.00 0.71 0.00 0.00 56.30 56.65 2b1w h ASN 43 Cb 0.54 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2b1w h ASN 43 CO 0.04 0.67 -0.91 0.25 -1.29 0.00 0.00 177.43 176.19 2b1w h LEU 44 N 0.54 0.60 -0.12 0.34 7.12 0.99 0.40 115.31 125.17 2b1w h LEU 44 Ca 0.10 -0.46 0.03 0.00 0.13 0.00 0.00 57.88 57.68 2b1w h LEU 44 Cb 0.45 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 2b1w h LEU 44 CO 0.02 1.25 -0.04 0.25 -0.13 0.00 0.00 178.44 179.79 2b1w h LEU 45 N 0.28 -0.14 0.08 2.25 7.12 -0.22 0.42 115.31 125.10 2b1w h LEU 45 Ca -0.08 0.04 -0.29 0.00 0.13 0.00 0.00 57.88 57.69 2b1w h LEU 45 Cb 1.54 0.09 0.03 0.00 -0.53 0.00 0.00 40.66 41.78 2b1w h LEU 45 CO 0.16 -0.05 -1.18 0.50 -0.13 0.00 0.00 178.44 177.74 2b1w h LYS 46 N -0.01 0.66 0.00 1.25 1.63 -0.89 -3.35 116.57 115.85 2b1w h LYS 46 Ca 0.06 -0.81 0.00 0.00 -0.85 0.00 0.00 60.65 59.05 2b1w h LYS 46 Cb 0.11 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2b1w h LYS 46 CO -0.14 1.37 -1.50 0.09 -3.45 0.00 0.00 179.45 175.82 2b1w n ASN 47 N -3.81 0.50 -2.33 4.20 3.02 0.14 -4.99 115.26 111.99 2b1w n ASN 47 Ca -0.13 -0.49 -0.20 0.00 -0.03 0.00 0.00 54.58 53.73 2b1w n ASN 47 Cb 0.95 1.50 -0.02 0.00 -0.61 0.00 0.00 39.78 41.60 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 -1.88 -5.70 0.00 6.41 2.03 0.15 -4.52 116.55 113.03 2b1w n ASP 48 Ca -0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2b1w n ASP 48 Cb 0.45 -4.78 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 -3.80 0.00 0.95 -0.67 0.18 -1.26 -4.95 117.16 107.62 2b1w n TYR 49 Ca -0.24 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.54 2b1w n TYR 49 Cb 0.68 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.64 2b1w n TYR 49 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 2b1w n PHE 50 N 0.00 0.00 -1.20 -3.48 3.72 -1.26 -4.23 117.46 111.01 2b1w n PHE 50 Ca 0.00 -0.42 -0.28 0.00 -0.05 0.00 0.00 57.45 56.70 2b1w n PHE 50 Cb 0.00 -0.22 0.23 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.46 -1.60 -0.30 4.37 3.41 -1.26 -4.53 113.62 114.17 2b1w n SER 51 Ca 0.00 -1.21 0.33 0.00 -0.26 0.00 0.00 58.87 57.73 2b1w n SER 51 Cb 0.45 -0.96 0.72 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.52 2.96 -0.01 7.33 0.00 -1.90 0.33 119.26 125.45 2b1w h ALA 52 Ca -0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2b1w h ALA 52 Cb 1.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2b1w h ALA 52 CO 0.26 -1.30 0.00 0.93 0.00 0.00 0.00 179.25 179.15 2b1w h GLU 53 N 0.05 0.01 -0.52 0.00 3.07 -1.90 0.76 114.58 116.05 2b1w h GLU 53 Ca 0.54 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.30 2b1w h GLU 53 Cb 2.08 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.96 2b1w h GLU 53 CO -0.04 0.17 -0.08 0.22 -1.40 0.00 0.00 179.01 177.88 2b1w h ASP 54 N -0.14 0.94 -0.14 1.42 3.58 -1.33 -2.99 116.42 117.76 2b1w h ASP 54 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2b1w h ASP 54 Cb 0.16 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2b1w h ASP 54 CO -0.00 1.04 0.09 0.00 -2.88 0.00 0.00 179.24 177.49 2b1w h ALA 55 N 1.05 0.18 -0.53 -0.78 0.00 -0.19 -2.96 119.26 116.03 2b1w h ALA 55 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2b1w h ALA 55 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2b1w h ALA 55 CO 0.04 -0.33 0.17 1.49 0.00 0.00 0.00 179.25 180.62 2b1w h GLU 56 N 0.18 0.78 0.03 0.00 4.81 0.69 0.32 114.58 121.39 2b1w h GLU 56 Ca 0.05 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2b1w h GLU 56 Cb -0.01 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2b1w h GLU 56 CO -0.01 0.67 -0.01 0.82 -0.73 0.00 0.00 179.01 179.75 2b1w h ILE 57 N 0.76 1.29 -0.16 2.32 1.08 -1.49 -3.22 117.51 118.09 2b1w h ILE 57 Ca 0.18 -1.01 -0.20 0.00 -0.39 0.00 0.00 64.86 63.44 2b1w h ILE 57 Cb 0.22 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2b1w h ILE 57 CO -0.01 0.26 -0.71 0.58 -0.69 0.00 0.00 178.15 177.58 2b1w h VAL 58 N -0.47 1.31 0.00 1.67 2.07 -1.33 -3.25 116.25 116.24 2b1w h VAL 58 Ca -0.00 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 2b1w h VAL 58 Cb 0.45 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2b1w h VAL 58 CO 0.01 0.61 -0.03 0.00 0.02 0.00 0.00 177.57 178.18 2b1w h ALA 60 N 1.97 2.79 0.00 0.00 0.00 -1.59 0.18 119.26 122.60 2b1w h ALA 60 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b1w h ALA 60 Cb 0.19 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2b1w h ALA 60 CO 0.00 -1.44 -0.64 0.00 0.00 0.00 0.00 179.25 177.18 2b1w n PRO 62 N -4.11 1.57 -1.34 0.00 -0.02 -1.14 -5.00 135.00 124.96 2b1w n PRO 62 Ca -0.09 -0.46 0.18 0.00 -2.02 0.00 0.00 63.50 61.11 2b1w n PRO 62 Cb 0.33 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.09 0.00 -0.06 3.45 -2.24 0.61 -2.82 114.28 113.31 2b1w n THR 63 Ca 0.04 0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2b1w n THR 63 Cb 0.39 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 2b1w n THR 63 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2b1w h GLN 64 N -1.25 0.32 -0.31 -0.78 4.15 -1.95 -2.87 115.11 112.42 2b1w h GLN 64 Ca 0.01 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2b1w h GLN 64 Cb 1.31 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2b1w h GLN 64 CO 0.01 0.35 0.03 -1.00 -1.93 0.00 0.00 178.83 176.30 2b1w h PRO 65 N 0.21 0.46 -0.12 -2.39 0.13 -1.95 -1.61 132.00 126.72 2b1w h PRO 65 Ca 0.07 -0.08 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 2b1w h PRO 65 Cb 0.14 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2b1w h PRO 65 CO -0.01 0.46 -0.47 0.22 -0.23 0.00 0.00 178.00 177.97 2b1w h ASP 66 N 0.45 0.32 -0.87 1.44 1.82 -1.50 -2.98 116.42 115.11 2b1w h ASP 66 Ca 0.10 -0.15 0.06 0.00 -0.39 0.00 0.00 57.03 56.65 2b1w h ASP 66 Cb 0.25 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.11 2b1w h ASP 66 CO 0.00 0.75 0.57 0.50 -1.61 0.00 0.00 179.24 179.45 2b1w h LYS 67 N 0.24 0.95 -0.26 0.28 1.63 -1.07 -0.22 116.57 118.12 2b1w h LYS 67 Ca 0.01 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.61 2b1w h LYS 67 Cb 0.93 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 2b1w h LYS 67 CO 0.08 0.63 -0.42 -0.39 -3.45 0.00 0.00 179.45 175.90 2b1w h VAL 68 N 0.98 1.30 -0.95 2.00 -1.51 -1.36 -1.68 116.25 115.03 2b1w h VAL 68 Ca 0.37 -1.60 0.16 0.00 -1.23 0.00 0.00 66.70 64.40 2b1w h VAL 68 Cb 0.19 1.55 -0.10 0.00 -2.13 0.00 0.00 31.29 30.80 2b1w h VAL 68 CO -0.13 0.51 0.55 -0.09 -1.23 0.00 0.00 177.57 177.18 2b1w h ARG 69 N 0.53 0.74 -0.41 5.19 9.65 -0.95 0.02 114.38 129.15 2b1w h ARG 69 Ca 0.04 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2b1w h ARG 69 Cb 0.95 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 2b1w h ARG 69 CO 0.09 0.49 0.14 -0.22 2.80 0.00 0.00 179.97 183.27 2b1w h LYS 70 N 0.77 0.64 -0.37 0.20 3.11 -0.61 0.12 116.57 120.43 2b1w h LYS 70 Ca 0.52 -0.13 -0.11 0.00 -2.81 0.00 0.00 60.65 58.12 2b1w h LYS 70 Cb 0.71 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 2b1w h LYS 70 CO -0.35 0.62 -0.20 -0.84 -2.81 0.00 0.00 179.45 175.88 2b1w h ILE 71 N 0.53 1.28 -0.14 2.00 3.07 -0.38 -1.16 117.51 122.71 2b1w h ILE 71 Ca 0.13 -1.33 -0.08 0.00 1.55 0.00 0.00 64.86 65.14 2b1w h ILE 71 Cb 0.24 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.13 2b1w h ILE 71 CO -0.01 0.44 -0.25 -0.07 -1.05 0.00 0.00 178.15 177.21 2b1w h LEU 72 N 0.57 0.26 -0.24 0.16 4.07 -1.01 -1.91 115.31 117.21 2b1w h LEU 72 Ca 0.08 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2b1w h LEU 72 Cb 0.75 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 2b1w h LEU 72 CO 0.06 0.51 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.13 2b1w h ASP 73 N 0.24 0.43 0.45 -0.43 3.58 -0.23 0.26 116.42 120.72 2b1w h ASP 73 Ca 0.04 -0.33 -0.17 0.00 0.42 0.00 0.00 57.03 56.98 2b1w h ASP 73 Cb 0.58 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2b1w h ASP 73 CO 0.04 0.66 -0.75 -0.07 -2.88 0.00 0.00 179.24 176.24 2b1w h LEU 74 N 0.20 0.29 -0.47 2.28 4.07 -1.21 -3.06 115.31 117.41 2b1w h LEU 74 Ca 0.07 -0.20 -0.16 0.00 0.08 0.00 0.00 57.88 57.67 2b1w h LEU 74 Cb 0.45 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2b1w h LEU 74 CO 0.02 0.93 -0.46 1.62 -1.08 0.00 0.00 178.44 179.47 2b1w h VAL 75 N 0.16 1.29 0.00 1.22 3.04 -1.25 -3.47 116.25 117.24 2b1w h VAL 75 Ca -0.03 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 2b1w h VAL 75 Cb 1.32 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2b1w h VAL 75 CO 0.12 0.53 0.00 0.00 -1.01 0.00 0.00 177.57 177.21 2b1w n GLN 76 N -4.02 0.00 -0.00 4.17 6.02 0.89 -4.18 117.38 120.27 2b1w n GLN 76 Ca -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2b1w n GLN 76 Cb 0.57 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.83 2b1w n GLN 76 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2b1w h SER 77 N 0.00 0.00 0.55 1.08 0.02 -1.90 -3.37 113.55 109.92 2b1w h SER 77 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2b1w h SER 77 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2b1w h SER 77 CO 0.00 0.01 -0.28 0.11 -1.14 0.00 0.00 176.83 175.52 2b1w h LYS 78 N -0.01 -0.74 -0.52 3.45 1.79 -1.93 -1.89 116.57 116.71 2b1w h LYS 78 Ca 0.00 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2b1w h LYS 78 Cb 0.00 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2b1w h LYS 78 CO 0.00 -0.49 0.17 0.78 -1.08 0.00 0.00 179.45 178.83 2b1w h GLY 79 N -0.77 0.87 0.32 3.86 0.00 -1.86 0.39 103.07 105.89 2b1w h GLY 79 Ca -0.07 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 46.82 2b1w h GLY 79 CO 0.11 0.48 -0.09 -2.09 0.00 0.00 0.00 176.54 174.95 2b1w h GLU 80 N 0.72 -0.00 -0.16 4.80 4.81 -1.70 0.15 114.58 123.20 2b1w h GLU 80 Ca 0.17 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2b1w h GLU 80 Cb 0.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2b1w h GLU 80 CO -0.01 -0.00 -0.23 1.49 -0.73 0.00 0.00 179.01 179.54 2b1w h GLU 81 N -0.00 0.43 -0.14 1.92 4.81 -0.45 -2.99 114.58 118.16 2b1w h GLU 81 Ca 0.16 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 2b1w h GLU 81 Cb 0.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2b1w h GLU 81 CO -0.35 0.84 -0.54 -0.39 -0.73 0.00 0.00 179.01 177.83 2b1w h VAL 82 N 0.05 1.34 -0.06 0.32 -1.51 -0.17 -2.83 116.25 113.39 2b1w h VAL 82 Ca 0.02 -1.81 -0.01 0.00 -1.23 0.00 0.00 66.70 63.67 2b1w h VAL 82 Cb 0.79 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2b1w h VAL 82 CO 0.05 0.55 0.02 0.28 -1.23 0.00 0.00 177.57 177.24 2b1w h SER 83 N 0.32 0.10 -0.24 4.19 0.02 -0.70 0.49 113.55 117.73 2b1w h SER 83 Ca 0.01 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2b1w h SER 83 Cb 1.06 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2b1w h SER 83 CO 0.09 0.28 -0.02 1.05 -1.14 0.00 0.00 176.83 177.09 2b1w h GLU 84 N -0.09 0.45 -0.08 3.45 4.11 -1.57 -2.07 114.58 118.78 2b1w h GLU 84 Ca 0.02 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2b1w h GLU 84 Cb 0.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2b1w h GLU 84 CO -0.00 0.64 0.02 0.35 0.07 0.00 0.00 179.01 180.09 2b1w h PHE 85 N 0.21 0.14 -0.11 2.06 3.57 -1.47 -2.57 116.94 118.77 2b1w h PHE 85 Ca 0.07 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2b1w h PHE 85 Cb 0.45 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2b1w h PHE 85 CO 0.04 0.32 -0.21 0.35 -2.23 0.00 0.00 178.31 176.58 2b1w h PHE 86 N -0.09 0.42 -0.19 0.41 3.57 -0.91 -0.33 116.94 119.83 2b1w h PHE 86 Ca 0.02 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 2b1w h PHE 86 Cb 0.25 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2b1w h PHE 86 CO 0.01 0.82 -0.22 1.37 -2.23 0.00 0.00 178.31 178.06 2b1w h LEU 87 N -0.10 0.33 -0.66 0.59 8.10 -1.46 -1.63 115.31 120.48 2b1w h LEU 87 Ca 0.00 -0.10 -0.15 0.00 0.11 0.00 0.00 57.88 57.75 2b1w h LEU 87 Cb 0.80 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.92 2b1w h LEU 87 CO 0.05 0.56 -0.62 1.88 -4.11 0.00 0.00 178.44 176.20 2b1w h TYR 88 N 0.30 0.26 -0.58 0.17 0.05 -1.37 0.02 116.97 115.81 2b1w h TYR 88 Ca 0.05 -0.10 0.11 0.00 0.05 0.00 0.00 58.73 58.84 2b1w h TYR 88 Cb 0.57 -0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.18 2b1w h TYR 88 CO 0.01 0.76 0.10 -0.07 -1.05 0.00 0.00 178.16 177.91 2b1w h LEU 89 N 0.15 -0.05 -0.21 3.88 3.38 -0.05 0.87 115.31 123.27 2b1w h LEU 89 Ca -0.01 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2b1w h LEU 89 Cb 1.12 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2b1w h LEU 89 CO 0.09 -0.01 -0.18 -0.07 0.09 0.00 0.00 178.44 178.36 2b1w h LEU 90 N 0.22 0.52 0.01 1.67 -0.00 -1.45 -3.40 115.31 112.89 2b1w h LEU 90 Ca 0.30 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2b1w h LEU 90 Cb 0.46 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2b1w h LEU 90 CO -0.41 0.88 -0.01 -0.61 -0.00 0.00 0.00 178.44 178.29 2b1w h GLN 91 N 0.18 -0.02 0.00 1.13 -0.00 0.55 -3.48 115.11 113.46 2b1w h GLN 91 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2b1w h GLN 91 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.20 2b1w h GLN 91 CO 0.05 0.75 0.00 0.00 0.00 0.00 0.00 178.83 179.63 2b1w n GLN 92 N -4.68 0.00 -0.23 1.69 10.64 0.29 -4.97 117.38 120.11 2b1w n GLN 92 Ca -0.08 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.02 2b1w n GLN 92 Cb 0.38 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.80 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 0.81 -0.04 2.61 -0.00 -1.79 0.25 115.31 117.15 2b1w h LEU 93 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2b1w h LEU 93 Cb 0.00 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2b1w h LEU 93 CO 0.00 0.67 -0.01 0.00 -0.00 0.00 0.00 178.44 179.10 2b1w h ALA 94 N 1.18 0.05 0.01 1.53 0.00 -1.96 -2.32 119.26 117.74 2b1w h ALA 94 Ca 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2b1w h ALA 94 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2b1w h ALA 94 CO -0.04 -0.24 -0.20 0.22 0.00 0.00 0.00 179.25 178.99 2b1w h ASP 95 N -0.29 0.03 0.05 0.00 3.58 -1.95 -3.35 116.42 114.49 2b1w h ASP 95 Ca 0.01 -0.94 -0.09 0.00 0.42 0.00 0.00 57.03 56.43 2b1w h ASP 95 Cb 0.41 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2b1w h ASP 95 CO 0.00 1.08 -0.43 0.00 -2.88 0.00 0.00 179.24 177.02 2b1w h ALA 96 N -0.05 -0.00 -0.02 -0.78 0.00 -1.08 -3.24 119.26 114.08 2b1w h ALA 96 Ca -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2b1w h ALA 96 Cb 1.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2b1w h ALA 96 CO -0.02 0.22 -0.04 -0.92 0.00 0.00 0.00 179.25 178.49 2b1w h TYR 97 N -0.75 0.07 -0.36 0.00 5.03 -1.30 -2.70 116.97 116.95 2b1w h TYR 97 Ca -0.09 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.13 2b1w h TYR 97 Cb 1.27 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.53 2b1w h TYR 97 CO 0.23 0.64 -0.08 0.28 -1.32 0.00 0.00 178.16 177.91 2b1w h VAL 98 N -0.52 1.23 0.00 1.81 2.07 -1.64 -2.52 116.25 116.68 2b1w h VAL 98 Ca -0.00 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2b1w h VAL 98 Cb 0.64 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2b1w h VAL 98 CO 0.01 0.34 0.00 -0.67 0.02 0.00 0.00 177.57 177.27 2b1w n ASP 99 N -4.21 0.37 0.28 0.57 2.03 -1.21 -3.97 116.55 110.41 2b1w n ASP 99 Ca 0.01 0.56 0.18 0.00 0.52 0.00 0.00 54.79 56.06 2b1w n ASP 99 Cb 0.31 -0.65 0.95 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.33 -2.67 5.85 -1.10 -3.12 115.31 114.59 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 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2b1w h LEU 100 CO 0.00 0.00 -0.16 0.03 -0.34 0.00 0.00 178.44 177.97 2b1w h ARG 101 N 0.00 -0.42 0.00 1.25 3.08 -1.80 -1.82 114.38 114.66 2b1w h ARG 101 Ca 0.04 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2b1w h ARG 101 Cb 0.30 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2b1w h ARG 101 CO -0.00 -0.20 -0.04 -1.35 -1.07 0.00 0.00 179.97 177.31 2b1w h PRO 102 N -0.57 0.00 -0.30 0.04 0.11 -1.88 -3.02 132.00 126.38 2b1w h PRO 102 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2b1w h PRO 102 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2b1w h PRO 102 CO 0.07 0.04 0.16 -1.49 -0.21 0.00 0.00 178.00 176.57 2b1w h TRP 103 N 0.00 0.41 -0.23 0.65 4.06 -1.38 -0.66 115.95 118.80 2b1w h TRP 103 Ca -0.00 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 2b1w h TRP 103 Cb 0.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2b1w h TRP 103 CO 0.00 0.34 -0.20 1.37 -3.56 0.00 0.00 178.44 176.39 2b1w h LEU 104 N 0.36 0.40 -1.52 -4.49 8.10 -1.34 -2.53 115.31 114.30 2b1w h LEU 104 Ca 0.10 -0.12 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 2b1w h LEU 104 Cb 0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 2b1w h LEU 104 CO -0.02 0.62 -0.08 -0.07 -4.11 0.00 0.00 178.44 174.78 2b1w h LEU 105 N 0.37 0.19 -0.66 0.17 3.38 -1.26 0.53 115.31 118.04 2b1w h LEU 105 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2b1w h LEU 105 Cb 0.57 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2b1w h LEU 105 CO 0.04 0.31 0.33 -0.33 0.09 0.00 0.00 178.44 178.88 2b1w h GLU 106 N 0.20 0.94 0.00 1.13 5.08 -0.69 -3.27 114.58 117.97 2b1w h GLU 106 Ca 0.04 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2b1w h GLU 106 Cb 0.28 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2b1w h GLU 106 CO 0.01 0.74 -1.92 0.44 -1.00 0.00 0.00 179.01 177.28 2b1w n ILE 107 N -4.49 0.04 0.00 3.13 -6.64 -0.93 -5.05 119.36 105.42 2b1w n ILE 107 Ca 0.05 -0.47 0.00 0.00 -1.77 0.00 0.00 62.75 60.56 2b1w n ILE 107 Cb 0.11 0.03 0.00 0.00 -1.44 0.00 0.00 39.64 38.34 2b1w n ILE 107 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2b1w n GLY 108 N 1.39 2.40 2.61 3.28 0.00 0.18 -2.87 105.19 112.18 2b1w n GLY 108 Ca -0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 7.46 1.75 0.03 1.61 3.72 -1.26 -4.66 117.46 126.10 2b1w n PHE 109 Ca 0.00 -2.66 0.00 0.00 -0.05 0.00 0.00 57.45 54.75 2b1w n PHE 109 Cb 0.00 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2b1w n PHE 109 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14