#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1w s ALA 13 N 0.00 -1.90 -0.16 4.61 0.00 -1.26 -4.19 121.76 118.86 2b1w s ALA 13 Ca 0.00 1.69 -0.34 0.00 0.00 0.00 0.00 51.96 53.31 2b1w s ALA 13 Cb 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 23.12 22.36 2b1w s ALA 13 CO 0.00 -0.30 1.15 1.41 0.00 0.00 0.00 175.76 178.02 2b1w s MET 14 N -0.50 0.40 0.00 0.00 0.00 -1.26 -5.00 119.30 112.94 2b1w s MET 14 Ca -0.01 -0.13 0.16 0.00 0.00 0.00 0.00 55.69 55.70 2b1w s MET 14 Cb -0.02 0.18 0.93 0.00 0.00 0.00 0.00 34.83 35.92 2b1w s MET 14 CO 0.00 -0.17 1.51 0.39 0.00 0.00 0.00 175.02 176.76 2b1w n GLU 15 N -0.08 0.89 -4.13 4.11 -0.58 -1.26 -4.80 120.64 114.79 2b1w n GLU 15 Ca -0.01 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 2b1w n GLU 15 Cb 0.59 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 30.12 2b1w n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2b1w s SER 16 N -1.60 0.63 -0.78 1.62 1.04 -1.26 -5.11 113.70 108.25 2b1w s SER 16 Ca 0.23 -1.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.08 2b1w s SER 16 Cb 0.11 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.90 2b1w s SER 16 CO 0.18 -1.10 0.96 -1.00 0.98 0.00 0.00 173.24 173.26 2b1w s HIS 17 N -3.62 3.06 0.00 5.02 3.76 -1.26 -4.91 115.29 117.34 2b1w s HIS 17 Ca 0.33 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 2b1w s HIS 17 Cb 0.02 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 29.53 2b1w s HIS 17 CO 0.17 -1.43 0.00 -0.35 -0.85 0.00 0.00 174.74 172.28 2b1w n PRO 18 N 6.48 0.00 -0.04 8.40 -0.04 -1.26 -4.26 135.00 144.28 2b1w n PRO 18 Ca 0.09 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 2b1w n PRO 18 Cb 0.47 -0.51 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 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 1.04 -1.00 0.54 3.86 -1.97 -2.92 115.15 114.70 2b1w h HIS 19 Ca 0.00 -0.41 0.05 0.00 -1.16 0.00 0.00 60.37 58.85 2b1w h HIS 19 Cb 0.00 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.23 2b1w h HIS 19 CO 0.00 1.24 0.65 -0.84 0.86 0.00 0.00 177.93 179.84 2b1w h ILE 20 N 0.58 1.13 -0.10 2.45 3.07 -1.92 -2.75 117.51 119.98 2b1w h ILE 20 Ca -0.02 -0.42 -0.02 0.00 1.55 0.00 0.00 64.86 65.95 2b1w h ILE 20 Cb 1.27 -0.20 -0.00 0.00 -0.27 0.00 0.00 36.82 37.62 2b1w h ILE 20 CO 0.14 0.22 -0.04 -0.61 -1.05 0.00 0.00 178.15 176.82 2b1w h GLN 21 N 1.22 0.20 -0.15 0.16 5.75 -1.70 -3.09 115.11 117.51 2b1w h GLN 21 Ca 0.42 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 2b1w h GLN 21 Cb 0.09 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2b1w h GLN 21 CO -0.15 0.53 -0.02 1.37 -2.65 0.00 0.00 178.83 177.91 2b1w h LEU 22 N -0.15 0.19 -0.82 -2.39 8.10 -1.39 -3.18 115.31 115.67 2b1w h LEU 22 Ca 0.02 -0.02 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2b1w h LEU 22 Cb 0.47 -0.05 -0.06 0.00 -0.44 0.00 0.00 40.66 40.58 2b1w h LEU 22 CO 0.01 0.25 0.51 -0.07 -4.11 0.00 0.00 178.44 175.03 2b1w h LEU 23 N 0.21 0.80 -0.96 0.17 -0.00 -1.40 -1.72 115.31 112.41 2b1w h LEU 23 Ca 0.05 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.84 2b1w h LEU 23 Cb 0.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2b1w h LEU 23 CO 0.01 0.52 -0.32 0.07 -0.00 0.00 0.00 178.44 178.72 2b1w h LYS 24 N 0.94 0.37 -0.31 1.13 5.09 -1.68 -2.59 116.57 119.52 2b1w h LYS 24 Ca 0.35 -0.15 -0.10 0.00 0.09 0.00 0.00 60.65 60.84 2b1w h LYS 24 Cb 0.14 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.45 2b1w h LYS 24 CO -0.16 0.65 -0.20 1.03 -2.09 0.00 0.00 179.45 178.68 2b1w h SER 25 N 0.32 0.71 -0.96 7.07 0.87 -1.46 -2.77 113.55 117.33 2b1w h SER 25 Ca 0.04 -0.43 -0.64 0.00 -1.23 0.00 0.00 61.79 59.53 2b1w h SER 25 Cb 0.72 -0.20 -0.30 0.00 -0.44 0.00 0.00 62.40 62.18 2b1w h SER 25 CO 0.05 0.99 0.68 -0.46 -0.53 0.00 0.00 176.83 177.56 2b1w n ASN 26 N -4.33 6.86 -0.10 6.23 2.04 -1.13 -4.70 115.26 120.12 2b1w n ASN 26 Ca -0.03 -3.76 -0.06 0.00 -0.44 0.00 0.00 54.58 50.29 2b1w n ASN 26 Cb 0.41 -0.90 0.02 0.00 -2.53 0.00 0.00 39.78 36.78 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 1.87 0.18 -0.22 -3.83 0.11 -1.16 -1.53 114.38 109.81 2b1w h ARG 27 Ca 0.58 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.56 2b1w h ARG 27 Cb 1.15 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2b1w h ARG 27 CO 1.44 0.12 -0.25 1.05 0.10 0.00 0.00 179.97 182.43 2b1w h GLU 28 N 0.19 0.41 -0.09 0.08 -0.00 -1.86 0.32 114.58 113.63 2b1w h GLU 28 Ca 0.17 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.36 59.35 2b1w h GLU 28 Cb 0.19 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.91 2b1w h GLU 28 CO -0.22 0.63 -0.04 1.25 -0.00 0.00 0.00 179.01 180.63 2b1w h LEU 29 N 0.37 0.20 -0.86 3.06 5.85 -1.85 -2.91 115.31 119.16 2b1w h LEU 29 Ca 0.06 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.25 2b1w h LEU 29 Cb 0.64 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2b1w h LEU 29 CO 0.05 0.57 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.13 2b1w h LEU 30 N -0.16 0.16 -0.36 2.25 4.07 -1.08 -2.57 115.31 117.62 2b1w h LEU 30 Ca 0.02 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.77 2b1w h LEU 30 Cb 0.49 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2b1w h LEU 30 CO 0.01 0.64 -0.28 1.62 -1.08 0.00 0.00 178.44 179.36 2b1w h VAL 31 N 0.12 1.28 0.00 1.22 3.04 -0.96 -2.88 116.25 118.07 2b1w h VAL 31 Ca 0.00 -1.43 -0.08 0.00 -1.01 0.00 0.00 66.70 64.18 2b1w h VAL 31 Cb 0.94 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 2b1w h VAL 31 CO 0.07 0.47 -0.36 0.00 -1.01 0.00 0.00 177.57 176.74 2b1w h THR 32 N 0.61 0.99 -0.36 3.17 1.03 -1.50 -3.03 112.91 113.82 2b1w h THR 32 Ca 0.07 -1.38 0.03 0.00 -0.01 0.00 0.00 66.41 65.12 2b1w h THR 32 Cb 0.85 1.81 -0.04 0.00 -1.07 0.00 0.00 68.15 69.69 2b1w h THR 32 CO 0.07 0.36 -0.21 0.45 -0.01 0.00 0.00 175.52 176.17 2b1w h HIS 33 N 0.00 -0.69 0.00 0.00 -0.00 -1.22 -3.42 115.15 109.81 2b1w h HIS 33 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2b1w h HIS 33 Cb 0.78 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2b1w h HIS 33 CO 0.00 -0.14 -0.00 1.51 -0.00 0.00 0.00 177.93 179.30 2b1w n ILE 34 N -3.82 0.64 0.00 2.45 0.00 -1.24 -4.96 119.36 112.42 2b1w n ILE 34 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 62.75 62.97 2b1w n ILE 34 Cb 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 39.64 38.67 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 -3.50 0.00 0.00 9.51 5.12 -1.15 -5.02 116.66 121.63 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 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.22 0.00 0.29 0.55 2.85 -1.25 -4.70 115.26 112.78 2b1w n ASN 36 Ca 0.00 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 2b1w n ASN 36 Cb 0.00 -0.01 0.87 0.00 1.24 0.00 0.00 39.78 41.87 2b1w n ASN 36 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2b1w h THR 37 N 0.00 0.50 0.00 -0.44 1.35 -1.95 -1.16 112.91 111.21 2b1w h THR 37 Ca 0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 2b1w h THR 37 Cb 0.00 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2b1w h THR 37 CO 0.00 0.04 -0.14 1.56 -0.25 0.00 0.00 175.52 176.74 2b1w h GLN 38 N 0.00 0.00 -0.07 4.72 1.08 -1.94 -0.65 115.11 118.26 2b1w h GLN 38 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2b1w h GLN 38 Cb 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2b1w h GLN 38 CO 0.01 0.14 -0.02 0.00 -0.95 0.00 0.00 178.83 178.00 2b1w h LEU 40 N -0.22 0.65 -0.22 0.00 8.10 -1.50 -1.81 115.31 120.31 2b1w h LEU 40 Ca 0.02 -0.38 -0.01 0.00 0.11 0.00 0.00 57.88 57.61 2b1w h LEU 40 Cb 0.44 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 2b1w h LEU 40 CO 0.01 1.12 0.09 -0.37 -4.11 0.00 0.00 178.44 175.18 2b1w h VAL 41 N 0.42 1.16 -0.11 0.15 -1.51 -1.21 0.62 116.25 115.78 2b1w h VAL 41 Ca -0.01 -0.49 -0.08 0.00 -1.23 0.00 0.00 66.70 64.90 2b1w h VAL 41 Cb 1.20 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 2b1w h VAL 41 CO 0.12 0.16 -0.28 -0.78 -1.23 0.00 0.00 177.57 175.56 2b1w h ASP 42 N 0.21 0.19 -0.03 4.19 3.58 -1.54 0.08 116.42 123.10 2b1w h ASP 42 Ca 0.07 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2b1w h ASP 42 Cb 0.17 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2b1w h ASP 42 CO -0.01 0.48 -0.23 -1.13 -2.88 0.00 0.00 179.24 175.47 2b1w h ASN 43 N 0.18 0.43 -0.04 2.28 -0.00 -0.89 -2.57 115.58 114.96 2b1w h ASN 43 Ca 0.03 -0.14 -0.03 0.00 -0.00 0.00 0.00 56.30 56.16 2b1w h ASN 43 Cb 0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.80 2b1w h ASN 43 CO 0.04 0.66 -0.11 0.25 -0.00 0.00 0.00 177.43 178.28 2b1w h LEU 44 N 0.39 0.16 -1.84 0.34 7.12 0.17 -2.12 115.31 119.53 2b1w h LEU 44 Ca 0.06 -0.61 -0.02 0.00 0.13 0.00 0.00 57.88 57.44 2b1w h LEU 44 Cb 0.62 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2b1w h LEU 44 CO 0.04 0.74 -0.10 0.17 -0.13 0.00 0.00 178.44 179.17 2b1w h LEU 45 N -0.42 0.00 -0.12 2.25 8.10 -1.07 1.11 115.31 125.16 2b1w h LEU 45 Ca -0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 2b1w h LEU 45 Cb 0.73 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2b1w h LEU 45 CO 0.02 0.10 -0.85 0.50 -4.11 0.00 0.00 178.44 174.10 2b1w h LYS 46 N 0.00 0.77 0.00 0.17 1.63 -1.31 -3.34 116.57 114.49 2b1w h LYS 46 Ca -0.00 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 59.12 2b1w h LYS 46 Cb 0.18 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2b1w h LYS 46 CO 0.01 1.27 -1.18 0.09 -3.45 0.00 0.00 179.45 176.20 2b1w n ASN 47 N -3.91 1.19 -2.67 4.20 4.13 -0.81 -5.01 115.26 112.38 2b1w n ASN 47 Ca -0.08 -0.40 -0.19 0.00 1.68 0.00 0.00 54.58 55.58 2b1w n ASN 47 Cb 0.78 1.34 0.04 0.00 -1.54 0.00 0.00 39.78 40.40 2b1w n ASN 47 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2b1w n ASP 48 N -1.68 -5.53 -0.38 6.41 2.03 0.38 -4.82 116.55 112.96 2b1w n ASP 48 Ca -0.00 -0.27 -0.01 0.00 0.52 0.00 0.00 54.79 55.03 2b1w n ASP 48 Cb 0.30 -4.34 -0.01 0.00 -0.72 0.00 0.00 41.12 36.35 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 -4.38 0.00 -1.54 -0.67 0.18 -1.24 -4.96 117.16 104.55 2b1w n TYR 49 Ca -0.09 -0.05 -0.06 0.00 1.88 0.00 0.00 57.90 59.58 2b1w n TYR 49 Cb 0.60 0.24 0.18 0.00 -0.38 0.00 0.00 39.34 39.98 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 1.16 -1.81 -3.48 3.72 -1.26 -4.73 117.46 111.06 2b1w n PHE 50 Ca -0.03 -1.72 -0.30 0.00 -0.05 0.00 0.00 57.45 55.35 2b1w n PHE 50 Cb 0.33 -0.48 0.22 0.00 -0.94 0.00 0.00 39.48 38.60 2b1w n PHE 50 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2b1w s SER 51 N -2.73 2.43 0.49 4.37 1.04 -1.26 -4.47 113.70 113.57 2b1w s SER 51 Ca 0.45 0.19 0.26 0.00 0.48 0.00 0.00 55.95 57.34 2b1w s SER 51 Cb 0.41 -0.15 1.34 0.00 0.10 0.00 0.00 66.02 67.71 2b1w s SER 51 CO -0.01 -3.15 1.87 0.00 0.98 0.00 0.00 173.24 172.93 2b1w h ALA 52 N -1.93 2.61 0.26 5.32 0.00 -1.95 0.49 119.26 124.06 2b1w h ALA 52 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2b1w h ALA 52 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2b1w h ALA 52 CO 0.31 -0.88 -0.13 1.49 0.00 0.00 0.00 179.25 180.04 2b1w h GLU 53 N 0.15 -0.34 -0.06 0.00 4.81 -1.95 0.51 114.58 117.70 2b1w h GLU 53 Ca 0.45 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.61 2b1w h GLU 53 Cb 1.52 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.98 2b1w h GLU 53 CO -0.08 -0.20 -0.32 0.22 -0.73 0.00 0.00 179.01 177.90 2b1w h ASP 54 N -0.39 0.38 -0.02 1.04 3.58 -1.72 -3.08 116.42 116.21 2b1w h ASP 54 Ca -0.04 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2b1w h ASP 54 Cb 0.30 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2b1w h ASP 54 CO 0.06 0.99 0.01 0.00 -2.88 0.00 0.00 179.24 177.42 2b1w h ALA 55 N 0.40 0.02 -0.03 -0.78 0.00 -0.84 -2.50 119.26 115.53 2b1w h ALA 55 Ca -0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2b1w h ALA 55 Cb 0.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2b1w h ALA 55 CO 0.07 -0.47 -0.76 1.49 0.00 0.00 0.00 179.25 179.58 2b1w h GLU 56 N 0.00 0.23 -0.31 0.00 4.81 -0.09 0.17 114.58 119.40 2b1w h GLU 56 Ca 0.01 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2b1w h GLU 56 Cb 0.02 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2b1w h GLU 56 CO -0.00 0.89 0.15 0.82 -0.73 0.00 0.00 179.01 180.13 2b1w h ILE 57 N 0.15 1.16 -0.31 2.32 1.08 -1.44 -2.41 117.51 118.06 2b1w h ILE 57 Ca -0.03 -0.45 -0.17 0.00 -0.39 0.00 0.00 64.86 63.82 2b1w h ILE 57 Cb 1.34 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2b1w h ILE 57 CO 0.12 0.16 -0.48 0.58 -0.69 0.00 0.00 178.15 177.84 2b1w h VAL 58 N 0.36 1.28 0.00 1.67 2.07 -1.39 -3.16 116.25 117.09 2b1w h VAL 58 Ca 0.11 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2b1w h VAL 58 Cb 0.12 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2b1w h VAL 58 CO -0.01 0.54 -0.03 0.00 0.02 0.00 0.00 177.57 178.09 2b1w h ALA 60 N 1.97 1.26 0.00 0.00 0.00 -1.40 0.17 119.26 121.27 2b1w h ALA 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b1w h ALA 60 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2b1w h ALA 60 CO 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 179.25 178.78 2b1w n PRO 62 N -3.31 2.34 -1.32 0.00 -0.05 -1.20 -5.03 135.00 126.43 2b1w n PRO 62 Ca -0.03 -1.50 0.18 0.00 -0.05 0.00 0.00 63.50 62.10 2b1w n PRO 62 Cb 0.11 -1.74 -0.05 0.00 -0.05 0.00 0.00 33.50 31.77 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 0.04 0.00 0.00 0.52 -2.24 0.59 -2.67 114.28 110.52 2b1w n THR 63 Ca 0.20 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.98 2b1w n THR 63 Cb 0.87 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.25 0.09 -0.96 -0.78 1.08 -1.91 -2.77 115.11 108.61 2b1w h GLN 64 Ca 0.00 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2b1w h GLN 64 Cb 1.31 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.67 2b1w h GLN 64 CO 0.02 0.06 0.63 -1.00 -0.95 0.00 0.00 178.83 177.58 2b1w h PRO 65 N 0.09 1.16 -0.18 1.46 0.13 -1.90 0.15 132.00 132.91 2b1w h PRO 65 Ca 0.04 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 2b1w h PRO 65 Cb 0.01 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 30.87 2b1w h PRO 65 CO -0.04 0.77 -0.41 0.22 -0.23 0.00 0.00 178.00 178.31 2b1w h ASP 66 N 1.19 0.44 -0.65 1.44 1.82 -1.51 -2.34 116.42 116.81 2b1w h ASP 66 Ca 0.39 -0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 2b1w h ASP 66 Cb 0.04 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 2b1w h ASP 66 CO -0.13 0.80 0.38 0.50 -1.61 0.00 0.00 179.24 179.19 2b1w h LYS 67 N 0.35 0.71 -0.90 0.28 3.11 -0.88 -2.02 116.57 117.21 2b1w h LYS 67 Ca 0.03 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 57.90 2b1w h LYS 67 Cb 0.87 -0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 31.88 2b1w h LYS 67 CO 0.07 0.47 0.59 -0.39 -2.81 0.00 0.00 179.45 177.38 2b1w h VAL 68 N 0.73 1.06 -0.86 2.00 -1.51 -0.21 0.13 116.25 117.59 2b1w h VAL 68 Ca 0.28 -0.35 0.15 0.00 -1.23 0.00 0.00 66.70 65.55 2b1w h VAL 68 Cb 0.10 -0.04 -0.10 0.00 -2.13 0.00 0.00 31.29 29.12 2b1w h VAL 68 CO -0.14 0.18 0.44 -0.09 -1.23 0.00 0.00 177.57 176.73 2b1w h ARG 69 N 1.01 0.60 -0.47 5.19 9.65 -1.13 -0.33 114.38 128.90 2b1w h ARG 69 Ca 0.39 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 59.17 2b1w h ARG 69 Cb 0.21 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2b1w h ARG 69 CO -0.15 0.39 0.05 -0.22 2.80 0.00 0.00 179.97 182.85 2b1w h LYS 70 N 0.61 0.80 0.02 0.20 3.11 -0.64 -1.22 116.57 119.45 2b1w h LYS 70 Ca 0.47 -0.23 -0.00 0.00 -2.81 0.00 0.00 60.65 58.09 2b1w h LYS 70 Cb 0.69 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2b1w h LYS 70 CO -0.37 0.82 -0.01 -0.84 -2.81 0.00 0.00 179.45 176.24 2b1w h ILE 71 N 0.66 1.29 0.00 2.00 3.07 -0.62 -2.23 117.51 121.68 2b1w h ILE 71 Ca 0.14 -0.95 -0.08 0.00 1.55 0.00 0.00 64.86 65.52 2b1w h ILE 71 Cb 0.42 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 2b1w h ILE 71 CO 0.01 0.24 -0.38 0.17 -1.05 0.00 0.00 178.15 177.15 2b1w h LEU 72 N -0.44 0.00 -0.61 0.16 -0.00 -1.50 -2.44 115.31 110.49 2b1w h LEU 72 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 2b1w h LEU 72 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.03 2b1w h LEU 72 CO 0.00 0.38 0.32 -0.78 -0.00 0.00 0.00 178.44 178.36 2b1w h ASP 73 N 0.00 0.45 0.55 0.17 3.58 -0.93 0.20 116.42 120.44 2b1w h ASP 73 Ca -0.00 0.04 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 2b1w h ASP 73 Cb 0.77 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2b1w h ASP 73 CO 0.05 0.29 -0.77 -0.07 -2.88 0.00 0.00 179.24 175.86 2b1w h LEU 74 N 0.59 0.21 -0.38 2.28 3.38 -1.25 -3.23 115.31 116.91 2b1w h LEU 74 Ca 0.28 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 2b1w h LEU 74 Cb 0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2b1w h LEU 74 CO -0.19 0.90 -0.54 1.62 0.09 0.00 0.00 178.44 180.32 2b1w h VAL 75 N 0.11 1.29 0.00 1.22 3.04 -0.89 -3.46 116.25 117.55 2b1w h VAL 75 Ca -0.03 -1.75 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 2b1w h VAL 75 Cb 1.36 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 2b1w h VAL 75 CO 0.12 0.56 0.00 0.00 -1.01 0.00 0.00 177.57 177.24 2b1w n GLN 76 N -3.99 0.00 0.00 4.17 6.02 0.64 -4.29 117.38 119.93 2b1w n GLN 76 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2b1w n GLN 76 Cb 0.62 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2b1w n GLN 76 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2b1w n SER 77 N 0.98 0.00 0.01 1.08 3.41 -1.26 -4.51 113.62 113.32 2b1w n SER 77 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2b1w n SER 77 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 2b1w n SER 77 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2b1w h LYS 78 N 0.00 -0.04 -0.73 4.33 1.79 -1.80 -1.68 116.57 118.44 2b1w h LYS 78 Ca 0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 2b1w h LYS 78 Cb 0.00 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 30.53 2b1w h LYS 78 CO 0.00 -0.03 -0.34 0.78 -1.08 0.00 0.00 179.45 178.78 2b1w h GLY 79 N -0.04 -0.01 0.34 3.86 0.00 -1.88 0.32 103.07 105.66 2b1w h GLY 79 Ca -0.00 0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.84 2b1w h GLY 79 CO -0.01 -0.21 -0.11 -2.09 0.00 0.00 0.00 176.54 174.11 2b1w h GLU 80 N -0.10 -0.06 -0.08 4.80 4.81 -1.71 0.26 114.58 122.50 2b1w h GLU 80 Ca 0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2b1w h GLU 80 Cb 0.57 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2b1w h GLU 80 CO -0.79 -0.04 -0.50 1.05 -0.73 0.00 0.00 179.01 178.00 2b1w h GLU 81 N -0.06 0.49 -0.12 1.92 4.11 -0.28 -2.99 114.58 117.64 2b1w h GLU 81 Ca 0.14 -0.41 -0.20 0.00 0.07 0.00 0.00 59.36 58.96 2b1w h GLU 81 Cb 0.28 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2b1w h GLU 81 CO -0.33 1.05 -0.74 -0.39 0.07 0.00 0.00 179.01 178.67 2b1w h VAL 82 N 0.06 1.32 -0.19 -1.06 -1.51 -0.26 -1.96 116.25 112.66 2b1w h VAL 82 Ca -0.04 -2.04 -0.05 0.00 -1.23 0.00 0.00 66.70 63.34 2b1w h VAL 82 Cb 1.16 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 2b1w h VAL 82 CO 0.10 0.63 -0.07 0.77 -1.23 0.00 0.00 177.57 177.77 2b1w h SER 83 N 0.42 0.40 -0.48 4.19 4.64 -0.55 0.12 113.55 122.28 2b1w h SER 83 Ca -0.04 -0.39 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 2b1w h SER 83 Cb 1.35 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2b1w h SER 83 CO 0.14 0.70 -0.02 1.05 -0.87 0.00 0.00 176.83 177.83 2b1w h GLU 84 N 0.09 0.87 -0.27 4.77 4.11 -1.60 -2.73 114.58 119.83 2b1w h GLU 84 Ca 0.05 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2b1w h GLU 84 Cb 0.54 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2b1w h GLU 84 CO 0.02 0.92 0.08 0.35 0.07 0.00 0.00 179.01 180.46 2b1w h PHE 85 N 0.73 0.43 0.10 2.06 3.57 -1.21 -1.55 116.94 121.06 2b1w h PHE 85 Ca 0.13 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2b1w h PHE 85 Cb 0.54 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2b1w h PHE 85 CO 0.04 0.48 -0.05 0.35 -2.23 0.00 0.00 178.31 176.90 2b1w h PHE 86 N 0.27 -0.12 -0.30 0.41 3.57 -0.73 0.39 116.94 120.43 2b1w h PHE 86 Ca 0.09 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2b1w h PHE 86 Cb 0.25 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2b1w h PHE 86 CO 0.01 0.14 -0.28 1.37 -2.23 0.00 0.00 178.31 177.31 2b1w h LEU 87 N -0.38 0.63 -0.32 0.59 -0.00 -1.55 -2.91 115.31 111.36 2b1w h LEU 87 Ca -0.01 -0.23 -0.20 0.00 -0.00 0.00 0.00 57.88 57.43 2b1w h LEU 87 Cb 0.32 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2b1w h LEU 87 CO 0.02 0.88 -0.77 1.88 -0.00 0.00 0.00 178.44 180.45 2b1w h TYR 88 N 0.53 0.66 -0.79 0.17 0.05 -1.14 0.40 116.97 116.85 2b1w h TYR 88 Ca 0.07 -0.30 0.02 0.00 0.05 0.00 0.00 58.73 58.57 2b1w h TYR 88 Cb 0.76 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 2b1w h TYR 88 CO 0.03 1.08 0.52 1.37 -1.05 0.00 0.00 178.16 180.11 2b1w h LEU 89 N 0.32 0.86 -0.27 3.88 8.10 -0.15 1.17 115.31 129.22 2b1w h LEU 89 Ca -0.04 -0.01 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 2b1w h LEU 89 Cb 1.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2b1w h LEU 89 CO 0.14 0.60 -0.20 -0.07 -4.11 0.00 0.00 178.44 174.80 2b1w h LEU 90 N 1.00 0.64 0.09 0.17 3.38 -1.35 -3.39 115.31 115.86 2b1w h LEU 90 Ca 0.30 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2b1w h LEU 90 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2b1w h LEU 90 CO -0.08 0.95 -0.04 -0.61 0.09 0.00 0.00 178.44 178.75 2b1w h GLN 91 N 0.34 -0.12 0.00 1.13 5.75 0.11 -3.49 115.11 118.83 2b1w h GLN 91 Ca 0.05 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2b1w h GLN 91 Cb 0.74 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2b1w h GLN 91 CO 0.05 0.37 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 2b1w n GLN 92 N -4.82 0.00 -0.05 1.69 10.64 0.39 -4.98 117.38 120.26 2b1w n GLN 92 Ca -0.07 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.05 2b1w n GLN 92 Cb 0.26 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 29.78 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 0.67 -0.49 2.61 4.07 -1.75 0.43 115.31 120.85 2b1w h LEU 93 Ca 0.00 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.67 2b1w h LEU 93 Cb 0.00 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2b1w h LEU 93 CO 0.00 0.87 0.05 0.00 -1.08 0.00 0.00 178.44 178.28 2b1w h ALA 94 N 1.18 0.66 0.00 1.53 0.00 -1.96 -1.60 119.26 119.07 2b1w h ALA 94 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2b1w h ALA 94 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2b1w h ALA 94 CO 0.05 0.42 -0.28 0.22 0.00 0.00 0.00 179.25 179.66 2b1w h ASP 95 N 0.71 0.00 0.05 0.00 3.58 -1.92 -3.35 116.42 115.50 2b1w h ASP 95 Ca 0.15 -0.58 -0.08 0.00 0.42 0.00 0.00 57.03 56.94 2b1w h ASP 95 Cb 0.45 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.50 2b1w h ASP 95 CO 0.02 0.95 -0.35 0.00 -2.88 0.00 0.00 179.24 176.98 2b1w h ALA 96 N -0.42 -0.02 -0.27 -0.78 0.00 -0.24 -2.52 119.26 115.00 2b1w h ALA 96 Ca -0.07 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.06 2b1w h ALA 96 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2b1w h ALA 96 CO -0.04 0.17 -0.56 -0.92 0.00 0.00 0.00 179.25 177.90 2b1w h TYR 97 N -0.76 1.05 -0.37 0.00 3.20 -1.31 -0.59 116.97 118.19 2b1w h TYR 97 Ca -0.07 -0.38 -0.10 0.00 3.14 0.00 0.00 58.73 61.32 2b1w h TYR 97 Cb 1.25 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2b1w h TYR 97 CO 0.24 1.20 -0.19 0.28 -1.64 0.00 0.00 178.16 178.05 2b1w h VAL 98 N 0.64 1.26 0.00 1.81 2.07 -1.55 -2.72 116.25 117.76 2b1w h VAL 98 Ca 0.01 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2b1w h VAL 98 Cb 1.16 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2b1w h VAL 98 CO 0.12 0.42 0.00 0.47 0.02 0.00 0.00 177.57 178.60 2b1w n ASP 99 N -4.13 0.48 -0.15 0.57 8.00 -0.95 -3.58 116.55 116.79 2b1w n ASP 99 Ca 0.00 0.58 0.09 0.00 0.71 0.00 0.00 54.79 56.18 2b1w n ASP 99 Cb 0.40 -0.70 0.42 0.00 -0.02 0.00 0.00 41.12 41.22 2b1w n ASP 99 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2b1w h LEU 100 N 0.00 0.54 0.26 0.64 7.12 -0.77 -1.56 115.31 121.53 2b1w h LEU 100 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2b1w h LEU 100 Cb 0.47 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2b1w h LEU 100 CO 0.00 0.33 -0.12 0.03 -0.13 0.00 0.00 178.44 178.55 2b1w h ARG 101 N 0.61 -0.33 -0.67 1.25 -0.00 -1.75 -1.97 114.38 111.52 2b1w h ARG 101 Ca 0.31 0.02 0.11 0.00 -0.50 0.00 0.00 59.98 59.93 2b1w h ARG 101 Cb 0.42 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.42 2b1w h ARG 101 CO -0.10 -0.04 0.45 -1.35 0.00 0.00 0.00 179.97 178.92 2b1w h PRO 102 N -0.63 0.43 -0.67 0.04 0.11 -1.74 -2.36 132.00 127.18 2b1w h PRO 102 Ca -0.04 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 2b1w h PRO 102 Cb 0.45 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 2b1w h PRO 102 CO 0.06 0.28 0.19 -1.49 -0.21 0.00 0.00 178.00 176.83 2b1w h TRP 103 N 0.44 1.11 -0.04 0.65 6.55 -0.97 -2.21 115.95 121.47 2b1w h TRP 103 Ca 0.31 -0.12 -0.11 0.00 0.95 0.00 0.00 58.89 59.92 2b1w h TRP 103 Cb 0.63 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 2b1w h TRP 103 CO -0.00 0.90 -0.49 1.37 -1.05 0.00 0.00 178.44 179.17 2b1w h LEU 104 N 0.99 0.12 -1.73 -4.49 8.10 -0.87 -2.53 115.31 114.91 2b1w h LEU 104 Ca 0.22 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.15 2b1w h LEU 104 Cb 0.33 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2b1w h LEU 104 CO -0.00 0.59 0.18 -0.07 -4.11 0.00 0.00 178.44 175.03 2b1w h LEU 105 N 0.09 0.32 -0.40 0.17 4.07 -0.96 -1.74 115.31 116.85 2b1w h LEU 105 Ca 0.00 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 2b1w h LEU 105 Cb 0.90 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 2b1w h LEU 105 CO 0.07 0.23 -0.19 -0.33 -1.08 0.00 0.00 178.44 177.14 2b1w h GLU 106 N 0.37 0.84 0.00 1.13 5.08 -0.98 -2.68 114.58 118.35 2b1w h GLU 106 Ca 0.10 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2b1w h GLU 106 Cb -0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2b1w h GLU 106 CO -0.02 1.00 0.00 0.97 -1.00 0.00 0.00 179.01 179.96 2b1w h ILE 107 N 0.65 0.00 -4.14 3.13 6.09 -1.41 -3.47 117.51 118.36 2b1w h ILE 107 Ca 0.09 -0.61 -0.23 0.00 -1.37 0.00 0.00 64.86 62.74 2b1w h ILE 107 Cb 0.74 1.57 0.10 0.00 0.47 0.00 0.00 36.82 39.70 2b1w h ILE 107 CO 0.06 0.00 -0.45 0.61 -3.07 0.00 0.00 178.15 175.30 2b1w n GLY 108 N 0.46 -0.02 0.07 8.18 0.00 -0.69 -4.95 105.19 108.25 2b1w n GLY 108 Ca 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2b1w n GLY 108 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2b1w h PHE 109 N -1.49 0.08 -0.02 1.61 3.57 -1.85 -3.51 116.94 115.33 2b1w h PHE 109 Ca -0.36 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2b1w h PHE 109 Cb 1.22 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2b1w h PHE 109 CO 0.30 0.57 0.00 -1.13 -2.23 0.00 0.00 178.31 175.82