#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 3.67 -0.92 4.61 0.00 -1.26 -4.74 120.51 121.87 2b1w n ALA 13 Ca 0.00 -2.73 -0.12 0.00 0.00 0.00 0.00 53.44 50.59 2b1w n ALA 13 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.85 1.73 -0.06 0.00 1.56 -1.26 -3.82 117.12 114.43 2b1w n MET 14 Ca 0.28 -1.04 -0.07 0.00 -0.27 0.00 0.00 57.70 56.59 2b1w n MET 14 Cb 0.98 -1.65 -0.08 0.00 2.15 0.00 0.00 33.22 34.62 2b1w n MET 14 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2b1w n GLU 15 N 1.51 1.42 -0.18 2.12 0.28 -1.26 -4.59 120.64 119.94 2b1w n GLU 15 Ca 0.29 0.03 -0.03 0.00 -0.16 0.00 0.00 57.16 57.29 2b1w n GLU 15 Cb 0.67 -1.29 0.04 0.00 1.43 0.00 0.00 31.44 32.28 2b1w n GLU 15 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2b1w n SER 16 N -2.62 2.82 -3.70 -1.84 7.64 -1.25 -4.80 113.62 109.86 2b1w n SER 16 Ca -0.21 -2.23 -0.22 0.00 1.01 0.00 0.00 58.87 57.22 2b1w n SER 16 Cb 0.82 -0.55 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.21 -2.05 0.05 1.43 8.25 -1.26 -4.95 115.22 116.90 2b1w n HIS 17 Ca 0.08 0.87 -0.02 0.00 -0.26 0.00 0.00 57.72 58.39 2b1w n HIS 17 Cb 0.62 -4.44 -0.01 0.00 1.12 0.00 0.00 29.99 27.28 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 -1.95 -0.15 -0.06 -0.41 0.11 -1.87 -1.64 132.00 126.04 2b1w h PRO 18 Ca -0.60 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.45 2b1w h PRO 18 Cb 1.36 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 2b1w h PRO 18 CO 0.57 -0.10 -0.29 1.25 -0.21 0.00 0.00 178.00 179.22 2b1w h HIS 19 N -0.37 0.12 0.02 0.65 -0.00 -1.95 -2.46 115.15 111.15 2b1w h HIS 19 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2b1w h HIS 19 Cb 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 2b1w h HIS 19 CO 0.05 0.39 -0.01 0.82 -0.00 0.00 0.00 177.93 179.19 2b1w h ILE 20 N 0.10 1.04 -0.30 6.26 2.04 -1.95 -3.20 117.51 121.50 2b1w h ILE 20 Ca 0.01 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2b1w h ILE 20 Cb 0.57 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2b1w h ILE 20 CO 0.04 0.04 -0.28 -0.61 0.00 0.00 0.00 178.15 177.34 2b1w h GLN 21 N -0.09 0.60 -0.58 2.37 5.75 -0.93 -3.07 115.11 119.16 2b1w h GLN 21 Ca -0.00 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.26 2b1w h GLN 21 Cb 0.08 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2b1w h GLN 21 CO 0.00 0.82 0.37 1.37 -2.65 0.00 0.00 178.83 178.75 2b1w h LEU 22 N 0.52 0.63 -0.36 -2.39 8.10 -1.45 0.27 115.31 120.64 2b1w h LEU 22 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.05 2b1w h LEU 22 Cb 0.75 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.80 2b1w h LEU 22 CO 0.06 0.45 0.23 -0.07 -4.11 0.00 0.00 178.44 175.00 2b1w h LEU 23 N 0.75 0.42 -0.80 0.17 4.07 -1.57 -2.57 115.31 115.80 2b1w h LEU 23 Ca 0.22 -0.04 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 2b1w h LEU 23 Cb -0.05 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2b1w h LEU 23 CO -0.06 0.33 -0.38 0.07 -1.08 0.00 0.00 178.44 177.32 2b1w h LYS 24 N 0.48 0.45 -0.75 1.13 5.09 -1.41 -0.85 116.57 120.71 2b1w h LYS 24 Ca 0.13 -0.21 0.02 0.00 0.09 0.00 0.00 60.65 60.68 2b1w h LYS 24 Cb -0.02 -0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.26 2b1w h LYS 24 CO -0.03 0.76 0.50 0.77 -2.09 0.00 0.00 179.45 179.37 2b1w h SER 25 N 0.38 0.82 -1.44 7.07 0.02 -0.12 0.16 113.55 120.44 2b1w h SER 25 Ca 0.04 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.33 2b1w h SER 25 Cb 0.84 -0.20 -0.36 0.00 0.14 0.00 0.00 62.40 62.82 2b1w h SER 25 CO 0.07 0.58 0.01 -0.46 -1.14 0.00 0.00 176.83 175.89 2b1w n ASN 26 N -4.44 6.01 -0.10 3.07 2.04 -1.00 -4.83 115.26 116.01 2b1w n ASN 26 Ca 0.09 -3.77 -0.09 0.00 -0.44 0.00 0.00 54.58 50.37 2b1w n ASN 26 Cb 0.08 -0.69 -0.01 0.00 -2.53 0.00 0.00 39.78 36.63 2b1w n ASN 26 CO 0.00 0.00 0.00 0.08 -0.44 0.00 0.00 177.26 176.90 2b1w h ARG 27 N 2.54 0.46 -0.31 -3.83 0.11 0.53 -1.99 114.38 111.90 2b1w h ARG 27 Ca 0.44 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.49 2b1w h ARG 27 Cb 0.76 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 2b1w h ARG 27 CO 1.11 0.31 0.20 0.93 0.10 0.00 0.00 179.97 182.63 2b1w h GLU 28 N 0.47 0.41 -0.80 0.08 5.08 -1.85 0.21 114.58 118.18 2b1w h GLU 28 Ca 0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2b1w h GLU 28 Cb -0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2b1w h GLU 28 CO -0.03 0.27 0.37 1.25 -1.00 0.00 0.00 179.01 179.88 2b1w h LEU 29 N 0.42 1.04 -0.59 1.33 5.85 -1.73 -1.09 115.31 120.54 2b1w h LEU 29 Ca 0.11 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2b1w h LEU 29 Cb -0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2b1w h LEU 29 CO -0.02 0.89 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.46 2b1w h LEU 30 N 1.14 0.68 -0.14 2.25 4.07 -0.77 -1.35 115.31 121.18 2b1w h LEU 30 Ca 0.27 -0.31 0.01 0.00 0.08 0.00 0.00 57.88 57.93 2b1w h LEU 30 Cb 0.13 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 2b1w h LEU 30 CO -0.03 1.02 0.04 0.58 -1.08 0.00 0.00 178.44 178.97 2b1w h VAL 31 N 0.51 0.96 0.00 1.22 2.07 -0.51 -2.33 116.25 118.18 2b1w h VAL 31 Ca 0.04 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2b1w h VAL 31 Cb 0.96 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2b1w h VAL 31 CO 0.09 0.02 -0.41 0.00 0.02 0.00 0.00 177.57 177.29 2b1w h THR 32 N 0.11 1.10 -0.91 2.57 1.03 -1.22 -3.27 112.91 112.32 2b1w h THR 32 Ca 0.06 -1.49 0.25 0.00 -0.01 0.00 0.00 66.41 65.22 2b1w h THR 32 Cb 0.04 1.85 -0.15 0.00 -1.07 0.00 0.00 68.15 68.82 2b1w h THR 32 CO -0.07 0.40 0.21 0.45 -0.01 0.00 0.00 175.52 176.50 2b1w h HIS 33 N 0.00 0.30 0.00 0.00 -0.00 -0.65 -3.42 115.15 111.37 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 0.82 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2b1w h HIS 33 CO 0.00 -0.27 0.00 1.51 -0.00 0.00 0.00 177.93 179.17 2b1w n ILE 34 N -5.28 0.00 0.00 2.45 0.13 -1.25 -4.91 119.36 110.50 2b1w n ILE 34 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.88 2b1w n ILE 34 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.54 2b1w n ILE 34 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 2b1w n ARG 35 N -1.88 0.00 -1.60 9.51 1.85 -1.23 -5.01 116.66 118.29 2b1w n ARG 35 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2b1w n ARG 35 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 2b1w n ARG 35 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2b1w n ASN 36 N -1.01 -5.52 -0.10 2.89 5.15 -1.26 -4.80 115.26 110.62 2b1w n ASN 36 Ca 0.00 0.51 -0.20 0.00 -0.60 0.00 0.00 54.58 54.29 2b1w n ASN 36 Cb 0.00 -4.85 -0.07 0.00 -0.53 0.00 0.00 39.78 34.33 2b1w n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2b1w n THR 37 N -2.39 1.06 0.08 -0.44 -2.24 -1.26 -4.51 114.28 104.59 2b1w n THR 37 Ca -0.21 -0.28 0.18 0.00 -2.27 0.00 0.00 64.05 61.47 2b1w n THR 37 Cb 0.69 -1.72 0.72 0.00 -2.10 0.00 0.00 70.33 67.91 2b1w n THR 37 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2b1w h GLN 38 N -0.65 0.00 -0.17 -0.78 1.08 -1.95 -2.24 115.11 110.40 2b1w h GLN 38 Ca -0.49 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.68 2b1w h GLN 38 Cb 1.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.87 2b1w h GLN 38 CO -0.28 0.00 -0.04 0.00 -0.95 0.00 0.00 178.83 177.56 2b1w h LEU 40 N 0.03 0.40 -0.52 0.00 8.10 -1.64 -2.90 115.31 118.77 2b1w h LEU 40 Ca 0.04 -0.19 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2b1w h LEU 40 Cb 0.47 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.55 2b1w h LEU 40 CO 0.02 0.81 0.17 -0.37 -4.11 0.00 0.00 178.44 174.96 2b1w h VAL 41 N 0.30 1.23 -0.14 0.15 -1.51 -1.51 0.50 116.25 115.28 2b1w h VAL 41 Ca 0.02 -0.77 -0.06 0.00 -1.23 0.00 0.00 66.70 64.66 2b1w h VAL 41 Cb 0.94 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2b1w h VAL 41 CO 0.08 0.28 -0.20 -0.78 -1.23 0.00 0.00 177.57 175.72 2b1w h ASP 42 N 0.72 0.22 0.20 4.19 3.58 -1.54 0.55 116.42 124.34 2b1w h ASP 42 Ca 0.17 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 2b1w h ASP 42 Cb 0.27 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2b1w h ASP 42 CO -0.01 0.44 -0.28 -1.13 -2.88 0.00 0.00 179.24 175.38 2b1w h ASN 43 N 0.21 0.13 -0.10 2.28 -1.24 -1.16 -2.36 115.58 113.34 2b1w h ASN 43 Ca 0.04 -0.04 -0.18 0.00 0.71 0.00 0.00 56.30 56.84 2b1w h ASN 43 Cb 0.48 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.51 2b1w h ASN 43 CO 0.03 0.41 -0.62 0.17 -1.29 0.00 0.00 177.43 176.14 2b1w h LEU 44 N 0.12 0.72 -1.03 0.34 8.10 0.21 0.88 115.31 124.66 2b1w h LEU 44 Ca 0.02 -0.65 0.04 0.00 0.11 0.00 0.00 57.88 57.40 2b1w h LEU 44 Cb 0.56 -0.21 -0.06 0.00 -0.44 0.00 0.00 40.66 40.51 2b1w h LEU 44 CO 0.04 1.26 0.65 0.25 -4.11 0.00 0.00 178.44 176.53 2b1w h LEU 45 N 0.24 1.07 -0.66 0.17 7.12 -1.15 0.84 115.31 122.95 2b1w h LEU 45 Ca -0.05 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.81 2b1w h LEU 45 Cb 1.27 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 2b1w h LEU 45 CO 0.13 0.73 -0.65 0.11 -0.13 0.00 0.00 178.44 178.63 2b1w h LYS 46 N 1.24 0.10 0.00 1.25 6.56 -0.84 -3.20 116.57 121.69 2b1w h LYS 46 Ca 0.40 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 2b1w h LYS 46 Cb 0.03 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2b1w h LYS 46 CO -0.13 0.72 -1.23 0.09 -2.06 0.00 0.00 179.45 176.83 2b1w n ASN 47 N -3.80 0.76 -1.67 0.86 3.02 0.24 -5.00 115.26 109.68 2b1w n ASN 47 Ca -0.02 -0.64 -0.15 0.00 -0.03 0.00 0.00 54.58 53.73 2b1w n ASN 47 Cb 0.64 1.29 -0.02 0.00 -0.61 0.00 0.00 39.78 41.09 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 -1.69 -4.69 0.00 6.41 2.03 0.29 -4.42 116.55 114.48 2b1w n ASP 48 Ca 0.01 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2b1w n ASP 48 Cb 0.37 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 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 -3.76 0.00 -0.71 -0.67 4.11 -1.19 -5.00 117.16 109.93 2b1w n TYR 49 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.61 2b1w n TYR 49 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.30 -2.16 -3.48 3.72 -1.26 -4.34 117.46 110.23 2b1w n PHE 50 Ca 0.00 -1.23 -0.21 0.00 -0.05 0.00 0.00 57.45 55.96 2b1w n PHE 50 Cb 0.00 -1.33 0.13 0.00 -0.94 0.00 0.00 39.48 37.34 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 2.92 0.62 -0.04 4.37 3.41 -1.26 -4.12 113.62 119.51 2b1w n SER 51 Ca 0.33 -1.67 0.21 0.00 -0.26 0.00 0.00 58.87 57.48 2b1w n SER 51 Cb 0.53 -0.67 0.67 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.18 2.50 -0.00 7.33 0.00 -1.88 0.43 119.26 126.46 2b1w h ALA 52 Ca -0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2b1w h ALA 52 Cb 0.98 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2b1w h ALA 52 CO 0.27 -0.67 -0.00 1.49 0.00 0.00 0.00 179.25 180.34 2b1w h GLU 53 N 0.05 0.01 -0.41 0.00 4.22 -1.93 0.27 114.58 116.79 2b1w h GLU 53 Ca 0.29 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.67 2b1w h GLU 53 Cb 1.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2b1w h GLU 53 CO -0.02 0.34 0.03 0.22 -2.18 0.00 0.00 179.01 177.40 2b1w h ASP 54 N -0.33 0.60 -0.28 1.04 3.58 -1.60 -2.65 116.42 116.78 2b1w h ASP 54 Ca 0.00 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.36 2b1w h ASP 54 Cb 0.34 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2b1w h ASP 54 CO 0.00 0.65 0.13 0.00 -2.88 0.00 0.00 179.24 177.13 2b1w h ALA 55 N 1.43 0.33 -0.78 -0.78 0.00 0.12 -2.78 119.26 116.80 2b1w h ALA 55 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2b1w h ALA 55 Cb 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2b1w h ALA 55 CO 0.01 -0.27 0.44 1.49 0.00 0.00 0.00 179.25 180.91 2b1w h GLU 56 N 0.27 1.07 0.07 0.00 4.81 -0.11 0.33 114.58 121.03 2b1w h GLU 56 Ca 0.12 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2b1w h GLU 56 Cb 0.05 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2b1w h GLU 56 CO -0.09 0.78 -0.04 0.82 -0.73 0.00 0.00 179.01 179.75 2b1w h ILE 57 N 1.08 0.94 -0.18 2.32 1.08 -1.33 -2.72 117.51 118.70 2b1w h ILE 57 Ca 0.28 -0.03 -0.18 0.00 -0.39 0.00 0.00 64.86 64.53 2b1w h ILE 57 Cb 0.01 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2b1w h ILE 57 CO -0.05 0.01 -0.63 0.58 -0.69 0.00 0.00 178.15 177.37 2b1w h VAL 58 N -0.11 1.31 -0.19 1.67 2.07 -1.34 -3.23 116.25 116.42 2b1w h VAL 58 Ca -0.01 -1.89 0.06 0.00 0.82 0.00 0.00 66.70 65.68 2b1w h VAL 58 Cb 0.09 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2b1w h VAL 58 CO 0.02 0.59 0.32 0.00 0.02 0.00 0.00 177.57 178.52 2b1w h ALA 60 N 1.54 1.97 0.00 0.00 0.00 -1.51 -0.78 119.26 120.48 2b1w h ALA 60 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2b1w h ALA 60 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2b1w h ALA 60 CO -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 179.25 178.52 2b1w n PRO 62 N -2.56 1.36 -0.66 0.00 -0.02 -1.25 -5.00 135.00 126.87 2b1w n PRO 62 Ca -0.00 -0.31 0.09 0.00 -2.02 0.00 0.00 63.50 61.26 2b1w n PRO 62 Cb 0.01 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.09 3.45 -2.24 -0.30 -2.79 114.28 112.40 2b1w n THR 63 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2b1w n THR 63 Cb 0.37 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.00 0.53 -0.91 -0.78 4.15 -1.91 -2.64 115.11 113.55 2b1w h GLN 64 Ca 0.01 -0.23 0.04 0.00 0.77 0.00 0.00 58.65 59.24 2b1w h GLN 64 Cb 0.61 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 2b1w h GLN 64 CO 0.00 0.79 0.59 -1.00 -1.93 0.00 0.00 178.83 177.28 2b1w h PRO 65 N 0.26 1.09 -0.05 -2.39 0.13 -1.92 -0.92 132.00 128.19 2b1w h PRO 65 Ca 0.06 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2b1w h PRO 65 Cb 0.63 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2b1w h PRO 65 CO 0.04 0.72 -0.58 -0.44 -0.23 0.00 0.00 178.00 177.51 2b1w h ASP 66 N 1.12 0.19 -0.97 1.44 3.32 -1.58 -3.05 116.42 116.89 2b1w h ASP 66 Ca 0.37 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.36 2b1w h ASP 66 Cb 0.05 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 2b1w h ASP 66 CO -0.13 0.73 0.63 0.50 -1.72 0.00 0.00 179.24 179.25 2b1w h LYS 67 N 0.13 1.15 -0.33 3.56 1.63 -0.83 -1.34 116.57 120.54 2b1w h LYS 67 Ca -0.00 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 2b1w h LYS 67 Cb 1.06 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2b1w h LYS 67 CO 0.09 0.76 -0.31 -0.39 -3.45 0.00 0.00 179.45 176.15 2b1w h VAL 68 N 1.19 1.28 -0.57 2.00 -1.51 -1.18 -2.48 116.25 114.98 2b1w h VAL 68 Ca 0.39 -1.44 0.11 0.00 -1.23 0.00 0.00 66.70 64.53 2b1w h VAL 68 Cb 0.06 1.36 -0.09 0.00 -2.13 0.00 0.00 31.29 30.49 2b1w h VAL 68 CO -0.13 0.47 0.07 -0.09 -1.23 0.00 0.00 177.57 176.66 2b1w h ARG 69 N 0.60 0.19 -0.41 5.19 9.65 -1.22 -0.20 114.38 128.19 2b1w h ARG 69 Ca 0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2b1w h ARG 69 Cb 0.82 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 2b1w h ARG 69 CO 0.07 0.13 0.27 -0.22 2.80 0.00 0.00 179.97 183.01 2b1w h LYS 70 N 0.20 0.55 -0.28 0.20 3.11 -0.85 0.21 116.57 119.70 2b1w h LYS 70 Ca 0.30 -0.04 -0.13 0.00 -2.81 0.00 0.00 60.65 57.97 2b1w h LYS 70 Cb 0.45 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2b1w h LYS 70 CO -0.42 0.38 -0.33 -0.84 -2.81 0.00 0.00 179.45 175.43 2b1w h ILE 71 N 0.55 1.30 -0.12 2.00 3.07 -1.07 -1.65 117.51 121.59 2b1w h ILE 71 Ca 0.15 -1.51 -0.07 0.00 1.55 0.00 0.00 64.86 64.98 2b1w h ILE 71 Cb -0.04 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 2b1w h ILE 71 CO -0.03 0.48 -0.26 -0.07 -1.05 0.00 0.00 178.15 177.22 2b1w h LEU 72 N 0.46 0.22 -0.27 0.16 4.07 -0.92 -1.97 115.31 117.07 2b1w h LEU 72 Ca 0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2b1w h LEU 72 Cb 0.91 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 2b1w h LEU 72 CO 0.08 0.48 -0.01 -0.78 -1.08 0.00 0.00 178.44 177.14 2b1w h ASP 73 N 0.20 0.47 0.56 -0.43 3.58 -0.33 -1.46 116.42 119.02 2b1w h ASP 73 Ca 0.03 -0.32 -0.14 0.00 0.42 0.00 0.00 57.03 57.03 2b1w h ASP 73 Cb 0.57 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2b1w h ASP 73 CO 0.04 0.67 -0.63 -0.07 -2.88 0.00 0.00 179.24 176.37 2b1w h LEU 74 N 0.25 0.07 -0.41 2.28 3.38 -1.18 -2.88 115.31 116.82 2b1w h LEU 74 Ca 0.07 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2b1w h LEU 74 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2b1w h LEU 74 CO 0.02 0.68 -0.47 1.62 0.09 0.00 0.00 178.44 180.37 2b1w h VAL 75 N 0.04 1.28 0.00 1.22 3.04 -1.29 -3.47 116.25 117.08 2b1w h VAL 75 Ca -0.01 -1.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.03 2b1w h VAL 75 Cb 1.12 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2b1w h VAL 75 CO 0.09 0.54 0.00 0.00 -1.01 0.00 0.00 177.57 177.19 2b1w n GLN 76 N -4.02 -0.87 0.00 4.17 6.02 -0.56 -4.36 117.38 117.76 2b1w n GLN 76 Ca -0.03 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2b1w n GLN 76 Cb 0.58 -4.62 0.00 0.00 1.02 0.00 0.00 30.24 27.22 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 -0.43 0.00 0.26 1.08 7.64 -1.26 -5.00 113.62 115.91 2b1w n SER 77 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2b1w n SER 77 Cb 0.22 0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.62 -0.38 1.43 1.79 -1.91 -1.65 116.57 115.23 2b1w h LYS 78 Ca 0.00 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 2b1w h LYS 78 Cb 0.00 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 2b1w h LYS 78 CO 0.00 -0.41 0.08 0.78 -1.08 0.00 0.00 179.45 178.81 2b1w h GLY 79 N -0.64 0.44 0.24 3.86 0.00 -1.86 0.49 103.07 105.60 2b1w h GLY 79 Ca -0.06 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.32 2b1w h GLY 79 CO 0.08 -0.03 -0.12 -2.09 0.00 0.00 0.00 176.54 174.39 2b1w h GLU 80 N 0.20 -0.04 -0.08 4.80 4.81 -1.70 0.58 114.58 123.15 2b1w h GLU 80 Ca 0.18 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 2b1w h GLU 80 Cb 0.21 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2b1w h GLU 80 CO -0.24 -0.03 -0.50 1.49 -0.73 0.00 0.00 179.01 179.00 2b1w h GLU 81 N -0.04 0.48 -0.13 1.92 4.81 -0.38 -3.15 114.58 118.09 2b1w h GLU 81 Ca 0.17 -0.41 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 2b1w h GLU 81 Cb 0.30 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2b1w h GLU 81 CO -0.38 1.05 -0.61 -0.39 -0.73 0.00 0.00 179.01 177.95 2b1w h VAL 82 N 0.05 1.35 -0.21 0.32 -1.51 0.04 -2.03 116.25 114.26 2b1w h VAL 82 Ca -0.04 -1.93 -0.01 0.00 -1.23 0.00 0.00 66.70 63.50 2b1w h VAL 82 Cb 1.16 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.23 2b1w h VAL 82 CO 0.10 0.59 0.10 0.77 -1.23 0.00 0.00 177.57 177.90 2b1w h SER 83 N 0.32 0.27 -0.02 4.19 4.64 -0.94 0.14 113.55 122.16 2b1w h SER 83 Ca -0.01 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2b1w h SER 83 Cb 1.15 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2b1w h SER 83 CO 0.11 0.32 0.00 1.05 -0.87 0.00 0.00 176.83 177.44 2b1w h GLU 84 N 0.21 0.04 -0.32 4.77 4.11 -1.56 -2.57 114.58 119.26 2b1w h GLU 84 Ca 0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.52 2b1w h GLU 84 Cb 0.12 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2b1w h GLU 84 CO -0.01 0.33 0.11 0.35 0.07 0.00 0.00 179.01 179.86 2b1w h PHE 85 N -0.25 0.20 -0.01 2.06 3.57 -1.20 -0.28 116.94 121.04 2b1w h PHE 85 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2b1w h PHE 85 Cb 0.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2b1w h PHE 85 CO 0.03 0.09 -0.11 0.35 -2.23 0.00 0.00 178.31 176.44 2b1w h PHE 86 N 0.25 0.13 -0.33 0.41 3.57 -1.01 0.54 116.94 120.49 2b1w h PHE 86 Ca 0.14 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2b1w h PHE 86 Cb 0.11 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2b1w h PHE 86 CO -0.14 0.78 -0.17 1.37 -2.23 0.00 0.00 178.31 177.93 2b1w h LEU 87 N -0.56 0.60 -0.87 0.59 8.10 -1.42 -1.78 115.31 119.98 2b1w h LEU 87 Ca -0.01 -0.18 -0.10 0.00 0.11 0.00 0.00 57.88 57.70 2b1w h LEU 87 Cb 0.80 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.85 2b1w h LEU 87 CO 0.02 0.78 -0.49 1.88 -4.11 0.00 0.00 178.44 176.52 2b1w h TYR 88 N 0.54 0.00 -0.72 0.17 0.05 -1.05 -1.25 116.97 114.71 2b1w h TYR 88 Ca 0.09 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.02 2b1w h TYR 88 Cb 0.60 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.23 2b1w h TYR 88 CO 0.02 0.49 0.19 -0.07 -1.05 0.00 0.00 178.16 177.74 2b1w h LEU 89 N 0.00 0.05 -0.21 3.88 3.38 0.04 0.86 115.31 123.31 2b1w h LEU 89 Ca -0.00 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2b1w h LEU 89 Cb 0.98 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2b1w h LEU 89 CO 0.06 -0.01 -0.12 -0.07 0.09 0.00 0.00 178.44 178.39 2b1w h LEU 90 N 0.29 0.46 0.02 1.67 -0.00 -1.43 -3.40 115.31 112.93 2b1w h LEU 90 Ca 0.40 -0.42 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2b1w h LEU 90 Cb 0.67 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2b1w h LEU 90 CO -0.48 0.78 -0.01 -0.61 -0.00 0.00 0.00 178.44 178.12 2b1w h GLN 91 N 0.14 -0.03 0.00 1.13 -0.00 0.10 -3.48 115.11 112.97 2b1w h GLN 91 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2b1w h GLN 91 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.11 2b1w h GLN 91 CO 0.03 0.66 0.00 0.00 0.00 0.00 0.00 178.83 179.52 2b1w n GLN 92 N -4.70 0.00 0.14 1.69 10.64 0.28 -5.04 117.38 120.39 2b1w n GLN 92 Ca -0.08 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.96 2b1w n GLN 92 Cb 0.34 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.64 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 -0.29 -1.41 2.61 -0.00 -1.80 0.12 115.31 114.54 2b1w h LEU 93 Ca 0.00 -0.14 0.04 0.00 -0.00 0.00 0.00 57.88 57.77 2b1w h LEU 93 Cb 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.70 2b1w h LEU 93 CO 0.00 -0.02 0.43 0.00 -0.00 0.00 0.00 178.44 178.85 2b1w h ALA 94 N 0.10 1.65 0.00 1.53 0.00 -1.98 -0.91 119.26 119.65 2b1w h ALA 94 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2b1w h ALA 94 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b1w h ALA 94 CO 0.06 0.28 -0.00 0.22 0.00 0.00 0.00 179.25 179.80 2b1w h ASP 95 N 0.76 0.00 0.54 0.00 3.58 -1.95 -3.41 116.42 115.94 2b1w h ASP 95 Ca 0.26 -0.90 -0.29 0.00 0.42 0.00 0.00 57.03 56.52 2b1w h ASP 95 Cb 0.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2b1w h ASP 95 CO -0.07 0.95 -1.42 0.00 -2.88 0.00 0.00 179.24 175.82 2b1w h ALA 96 N -0.10 0.25 0.00 -0.78 0.00 -0.84 -3.35 119.26 114.44 2b1w h ALA 96 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 2b1w h ALA 96 Cb 0.90 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2b1w h ALA 96 CO -0.00 1.12 -0.05 -0.92 0.00 0.00 0.00 179.25 179.41 2b1w h TYR 97 N 0.06 0.00 0.00 0.00 3.20 -1.33 0.13 116.97 119.03 2b1w h TYR 97 Ca -0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2b1w h TYR 97 Cb 1.98 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.25 2b1w h TYR 97 CO 0.06 0.05 0.00 1.55 -1.64 0.00 0.00 178.16 178.17 2b1w n VAL 98 N -3.74 0.78 -0.28 1.81 3.14 -1.26 -4.52 118.33 114.26 2b1w n VAL 98 Ca -0.03 0.19 0.26 0.00 -2.96 0.00 0.00 64.34 61.81 2b1w n VAL 98 Cb 0.14 -1.06 0.60 0.00 -1.06 0.00 0.00 33.84 32.46 2b1w n VAL 98 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 2b1w h ASP 99 N 0.00 0.26 -0.36 6.55 2.03 -0.99 -1.24 116.42 122.68 2b1w h ASP 99 Ca 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2b1w h ASP 99 Cb 0.07 -0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 2b1w h ASP 99 CO 0.00 0.07 0.23 0.17 -1.03 0.00 0.00 179.24 178.67 2b1w h LEU 100 N 0.24 0.42 0.30 0.15 -0.00 -1.85 0.30 115.31 114.88 2b1w h LEU 100 Ca 0.54 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.39 2b1w h LEU 100 Cb 1.65 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 2b1w h LEU 100 CO -0.16 0.31 -0.15 0.03 -0.00 0.00 0.00 178.44 178.48 2b1w h ARG 101 N 0.49 -0.39 -0.04 0.17 2.47 -1.60 -2.82 114.38 112.66 2b1w h ARG 101 Ca 0.13 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.81 2b1w h ARG 101 Cb -0.04 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2b1w h ARG 101 CO -0.03 -0.13 -0.24 -1.00 0.56 0.00 0.00 179.97 179.13 2b1w h PRO 102 N -1.04 0.24 0.10 0.04 0.13 -1.72 -3.35 132.00 126.41 2b1w h PRO 102 Ca -0.04 -0.20 -0.24 0.00 -0.87 0.00 0.00 66.00 64.65 2b1w h PRO 102 Cb 0.44 0.04 0.02 0.00 0.13 0.00 0.00 31.00 31.63 2b1w h PRO 102 CO 0.07 0.86 -0.99 -1.49 -0.23 0.00 0.00 178.00 176.22 2b1w h TRP 103 N -0.32 0.80 -0.58 1.56 6.55 -1.09 -2.89 115.95 119.98 2b1w h TRP 103 Ca -0.02 -0.51 0.03 0.00 0.95 0.00 0.00 58.89 59.34 2b1w h TRP 103 Cb 0.91 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 29.11 2b1w h TRP 103 CO 0.14 1.36 0.38 1.25 -1.05 0.00 0.00 178.44 180.52 2b1w h LEU 104 N 0.01 0.60 -0.61 -4.49 7.12 -1.47 -1.10 115.31 115.37 2b1w h LEU 104 Ca -0.15 -0.01 -0.15 0.00 0.13 0.00 0.00 57.88 57.70 2b1w h LEU 104 Cb 1.71 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.69 2b1w h LEU 104 CO 0.19 0.42 -0.50 0.25 -0.13 0.00 0.00 178.44 178.67 2b1w h LEU 105 N 0.70 0.55 -0.13 2.25 5.85 -1.69 -0.15 115.31 122.70 2b1w h LEU 105 Ca 0.23 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2b1w h LEU 105 Cb 0.04 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2b1w h LEU 105 CO -0.06 0.96 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.55 2b1w h GLU 106 N 0.40 0.30 0.00 1.25 5.08 -1.00 -3.32 114.58 117.29 2b1w h GLU 106 Ca 0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2b1w h GLU 106 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2b1w h GLU 106 CO 0.09 0.69 -1.17 0.44 -1.00 0.00 0.00 179.01 178.06 2b1w n ILE 107 N -4.61 0.00 0.00 3.13 -6.64 -0.89 -5.03 119.36 105.32 2b1w n ILE 107 Ca -0.06 -0.12 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 2b1w n ILE 107 Cb 0.34 0.79 0.00 0.00 -1.44 0.00 0.00 39.64 39.33 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 1.44 2.04 3.19 3.28 0.00 -0.07 -4.45 105.19 110.63 2b1w n GLY 108 Ca 0.02 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.31 2b1w n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2b1w s PHE 109 N 0.00 -0.51 0.00 1.61 -0.71 -1.26 -4.46 117.98 112.65 2b1w s PHE 109 Ca 0.00 0.62 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 2b1w s PHE 109 Cb 0.00 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 2b1w s PHE 109 CO 0.00 -0.27 0.00 0.43 -1.34 0.00 0.00 175.22 174.04