#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w s PRO 2 N 0.00 2.54 0.01 2.12 0.04 -1.26 -4.94 135.00 133.51 2b3w s PRO 2 Ca 0.00 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2b3w s PRO 2 Cb 0.00 -4.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.03 2b3w s PRO 2 CO 0.00 -2.79 1.40 0.54 0.04 0.00 0.00 177.00 176.19 2b3w s VAL 3 N 10.18 3.68 -0.40 -0.36 0.11 -1.26 -4.89 120.40 127.47 2b3w s VAL 3 Ca 0.88 1.08 0.07 0.00 -2.93 0.00 0.00 61.98 61.07 2b3w s VAL 3 Cb -0.19 -3.69 0.18 0.00 -1.53 0.00 0.00 36.38 31.15 2b3w s VAL 3 CO 0.27 0.00 1.14 0.54 -3.33 0.00 0.00 175.10 173.72 2b3w n ARG 4 N 5.31 2.82 0.23 1.54 1.74 -1.26 -4.60 116.66 122.44 2b3w n ARG 4 Ca 0.13 -1.89 0.10 0.00 -0.77 0.00 0.00 57.85 55.42 2b3w n ARG 4 Cb 0.44 -1.20 0.55 0.00 -1.02 0.00 0.00 32.46 31.22 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3w h ALA 5 N 0.94 1.17 -0.08 7.54 0.00 -1.90 -3.13 119.26 123.80 2b3w h ALA 5 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2b3w h ALA 5 Cb 0.69 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2b3w h ALA 5 CO 0.01 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.60 2b3w n GLN 6 N -3.60 1.12 -0.05 0.00 10.64 -1.26 -4.29 117.38 119.94 2b3w n GLN 6 Ca -0.01 -0.26 -0.14 0.00 -1.83 0.00 0.00 57.00 54.76 2b3w n GLN 6 Cb 0.35 -1.10 -0.08 0.00 -0.86 0.00 0.00 30.24 28.56 2b3w n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2b3w h ARG 7 N 0.63 0.40 -5.05 2.61 2.43 -1.93 -3.35 114.38 110.13 2b3w h ARG 7 Ca 0.05 -0.26 -0.69 0.00 -0.81 0.00 0.00 59.98 58.27 2b3w h ARG 7 Cb 1.06 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.47 2b3w h ARG 7 CO 0.11 0.85 0.91 0.42 -1.51 0.00 0.00 179.97 180.75 2b3w s ILE 8 N -4.01 4.72 -2.09 1.20 1.01 -1.26 -4.83 121.20 115.95 2b3w s ILE 8 Ca -0.14 -1.64 0.22 0.00 0.00 0.00 0.00 60.65 59.10 2b3w s ILE 8 Cb 0.05 -4.80 0.59 0.00 0.01 0.00 0.00 42.46 38.31 2b3w s ILE 8 CO 0.77 -1.54 1.79 0.00 0.00 0.00 0.00 174.94 175.96 2b3w n GLN 9 N 6.57 1.18 -3.63 2.79 10.64 -1.26 -4.78 117.38 128.90 2b3w n GLN 9 Ca 0.25 -0.27 -0.11 0.00 -1.83 0.00 0.00 57.00 55.05 2b3w n GLN 9 Cb 0.49 -1.36 -0.07 0.00 -0.86 0.00 0.00 30.24 28.43 2b3w n GLN 9 CO 0.00 0.00 0.00 -3.38 -1.83 0.00 0.00 177.06 171.85 2b3w s HIS 10 N -1.96 -0.54 0.53 2.61 -3.43 -1.26 -4.95 115.29 106.28 2b3w s HIS 10 Ca 0.33 1.28 0.08 0.00 -0.80 0.00 0.00 55.06 55.95 2b3w s HIS 10 Cb 0.16 0.35 0.05 0.00 -1.43 0.00 0.00 32.58 31.71 2b3w s HIS 10 CO 0.26 -0.28 0.58 0.14 -2.00 0.00 0.00 174.74 173.45 2b3w s VAL 11 N 0.12 2.12 0.00 -5.38 -7.23 -1.26 -5.08 120.40 103.70 2b3w s VAL 11 Ca 0.02 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2b3w s VAL 11 Cb -0.05 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2b3w s VAL 11 CO -0.04 0.00 0.00 0.23 -0.31 0.00 0.00 175.10 174.98 2b3w n MET 12 N -1.95 0.00 -3.59 4.82 0.00 -1.26 -5.00 117.12 110.14 2b3w n MET 12 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.63 2b3w n MET 12 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.72 2b3w n MET 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2b3w s GLN 13 N 0.67 0.17 -1.38 0.03 -1.52 -1.26 -4.89 119.66 111.48 2b3w s GLN 13 Ca 0.00 0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 53.86 2b3w s GLN 13 Cb 0.00 -0.42 0.10 0.00 -0.22 0.00 0.00 33.01 32.47 2b3w s GLN 13 CO 0.00 -0.42 0.57 -0.25 -0.25 0.00 0.00 175.29 174.94 2b3w n ASP 14 N 5.34 -3.47 -4.69 5.90 9.92 -1.26 -4.88 116.55 123.41 2b3w n ASP 14 Ca -0.06 -0.57 -0.42 0.00 -0.53 0.00 0.00 54.79 53.21 2b3w n ASP 14 Cb 0.50 -2.87 -0.03 0.00 -0.64 0.00 0.00 41.12 38.08 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2b3w s THR 15 N -3.01 4.36 -0.31 -3.53 2.01 -1.26 -4.77 115.64 109.12 2b3w s THR 15 Ca 0.50 1.67 -0.24 0.00 0.31 0.00 0.00 61.69 63.93 2b3w s THR 15 Cb -0.27 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2b3w s THR 15 CO 0.62 -0.01 0.84 -0.63 -0.69 0.00 0.00 174.62 174.75 2b3w s ILE 16 N 2.22 4.74 -0.62 1.82 1.09 -1.26 -0.15 121.20 129.04 2b3w s ILE 16 Ca 0.54 1.26 -0.17 0.00 -1.10 0.00 0.00 60.65 61.17 2b3w s ILE 16 Cb -0.23 -4.20 0.13 0.00 -1.06 0.00 0.00 42.46 37.09 2b3w s ILE 16 CO 0.21 -0.31 0.67 -0.63 -0.10 0.00 0.00 174.94 174.78 2b3w s ILE 17 N 3.10 5.02 -0.64 2.92 1.01 0.93 -4.93 121.20 128.61 2b3w s ILE 17 Ca 0.35 -1.34 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 2b3w s ILE 17 Cb -0.14 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 37.94 2b3w s ILE 17 CO 0.13 -1.06 0.99 0.20 0.00 0.00 0.00 174.94 175.21 2b3w s ASN 18 N 3.46 6.21 0.01 3.58 0.01 -1.25 -1.62 114.94 125.36 2b3w s ASN 18 Ca 0.11 -0.77 -0.00 0.00 -0.71 0.00 0.00 52.86 51.49 2b3w s ASN 18 Cb -0.24 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 2b3w s ASN 18 CO 0.03 -1.43 0.10 0.72 -1.51 0.00 0.00 177.10 175.00 2b3w s PHE 19 N 4.22 3.31 -0.12 2.20 -0.71 0.01 -4.90 117.98 121.99 2b3w s PHE 19 Ca 0.26 0.21 -0.13 0.00 -1.04 0.00 0.00 56.93 56.22 2b3w s PHE 19 Cb -0.15 -1.73 0.03 0.00 -1.21 0.00 0.00 43.02 39.97 2b3w s PHE 19 CO 0.13 0.56 0.37 -0.47 -1.34 0.00 0.00 175.22 174.47 2b3w s TYR 20 N -1.26 -0.38 0.21 3.49 5.04 -1.26 -2.51 117.35 120.68 2b3w s TYR 20 Ca 0.25 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2b3w s TYR 20 Cb -0.12 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.33 2b3w s TYR 20 CO 0.17 -0.23 0.00 -1.13 -1.34 0.00 0.00 175.55 173.02 2b3w n SER 21 N 2.62 -9.23 0.17 4.32 3.41 -1.26 -4.62 113.62 109.04 2b3w n SER 21 Ca -0.14 1.44 -0.10 0.00 -0.26 0.00 0.00 58.87 59.81 2b3w n SER 21 Cb 0.57 -5.22 -0.05 0.00 -0.26 0.00 0.00 64.21 59.25 2b3w n SER 21 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2b3w h THR 22 N 4.48 0.00 0.00 6.66 2.02 -1.95 -3.32 112.91 120.80 2b3w h THR 22 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2b3w h THR 22 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2b3w h THR 22 CO 0.00 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.69 2b3w n SER 23 N -4.02 0.00 -1.72 4.18 7.64 -1.26 -2.08 113.62 116.36 2b3w n SER 23 Ca -0.07 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.77 2b3w n SER 23 Cb 0.25 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2b3w n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b3w n ASP 24 N 3.31 -1.17 0.00 6.43 2.03 -1.26 -5.07 116.55 120.82 2b3w n ASP 24 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 2b3w n ASP 24 Cb 0.00 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2b3w n ASP 24 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b3w n ASP 25 N -0.67 0.00 0.00 1.67 2.03 -0.88 -4.97 116.55 113.72 2b3w n ASP 25 Ca -0.23 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.18 2b3w n ASP 25 Cb 0.76 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.71 2b3w n ASP 25 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2b3w n TYR 26 N 0.00 0.00 0.06 -0.67 4.02 -1.26 -3.81 117.16 115.50 2b3w n TYR 26 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2b3w n TYR 26 Cb 0.00 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.28 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b3w n GLY 27 N 0.23 -0.04 0.36 2.72 0.00 -1.25 -2.67 105.19 104.54 2b3w n GLY 27 Ca 0.13 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.33 2b3w n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b3w h ASP 28 N 0.00 0.00 -0.37 1.61 3.32 -1.79 0.24 116.42 119.42 2b3w h ASP 28 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2b3w h ASP 28 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2b3w h ASP 28 CO 0.00 0.00 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.23 2b3w h PHE 29 N 0.00 0.83 -3.71 4.55 0.04 -1.87 -3.45 116.94 113.32 2b3w h PHE 29 Ca 0.13 -0.12 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 2b3w h PHE 29 Cb 0.73 -0.22 0.14 0.00 2.20 0.00 0.00 35.95 38.80 2b3w h PHE 29 CO 0.00 0.79 0.43 0.43 -0.60 0.00 0.00 178.31 179.36 2b3w n SER 30 N -4.20 2.13 -0.13 2.17 7.64 0.84 -4.86 113.62 117.20 2b3w n SER 30 Ca 0.02 0.98 0.01 0.00 1.01 0.00 0.00 58.87 60.89 2b3w n SER 30 Cb 0.32 -1.50 0.02 0.00 -1.01 0.00 0.00 64.21 62.04 2b3w n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2b3w n ASN 31 N -0.48 0.33 -0.89 6.43 3.02 -1.26 -2.29 115.26 120.12 2b3w n ASN 31 Ca 0.10 -2.00 0.09 0.00 -0.03 0.00 0.00 54.58 52.73 2b3w n ASN 31 Cb 0.43 -0.07 0.18 0.00 -0.61 0.00 0.00 39.78 39.71 2b3w n ASN 31 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2b3w n PHE 32 N -0.33 0.46 -2.34 3.10 7.35 -1.26 -4.12 117.46 120.32 2b3w n PHE 32 Ca 0.02 -0.31 -0.39 0.00 -0.76 0.00 0.00 57.45 56.00 2b3w n PHE 32 Cb 0.06 -0.01 -0.03 0.00 0.35 0.00 0.00 39.48 39.85 2b3w n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b3w s ALA 33 N -1.17 3.31 -0.45 3.13 0.00 -0.97 -4.91 121.76 120.70 2b3w s ALA 33 Ca 0.30 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 2b3w s ALA 33 Cb 0.17 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 2b3w s ALA 33 CO 0.24 -0.40 3.34 0.00 0.00 0.00 0.00 175.76 178.94 2b3w n ALA 34 N 0.61 6.66 -3.29 0.00 0.00 -1.26 -4.71 120.51 118.52 2b3w n ALA 34 Ca 0.02 -2.42 -0.39 0.00 0.00 0.00 0.00 53.44 50.65 2b3w n ALA 34 Cb 0.45 -2.54 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 2b3w n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b3w s TRP 35 N 0.86 3.32 0.34 0.00 0.52 -1.26 -5.04 118.94 117.68 2b3w s TRP 35 Ca 0.66 -1.54 -0.28 0.00 0.02 0.00 0.00 56.10 54.96 2b3w s TRP 35 Cb 0.29 -2.69 -0.12 0.00 -1.15 0.00 0.00 33.47 29.80 2b3w s TRP 35 CO -0.04 -0.80 1.34 -2.30 0.02 0.00 0.00 176.95 175.16 2b3w n PRO 36 N 4.85 2.24 -5.23 4.98 -0.02 -1.22 -4.66 135.00 135.93 2b3w n PRO 36 Ca -0.10 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2b3w n PRO 36 Cb 0.44 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 2b3w n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2b3w s ILE 37 N -1.01 2.06 -0.76 4.25 -4.36 -0.19 -4.86 121.20 116.33 2b3w s ILE 37 Ca 0.56 -1.03 -0.16 0.00 -0.26 0.00 0.00 60.65 59.75 2b3w s ILE 37 Cb -0.55 -1.77 0.16 0.00 1.25 0.00 0.00 42.46 41.55 2b3w s ILE 37 CO 0.61 0.56 0.80 -0.75 0.24 0.00 0.00 174.94 176.40 2b3w s LYS 38 N 0.18 3.40 -0.24 0.37 2.47 -1.26 -0.42 119.74 124.24 2b3w s LYS 38 Ca -0.14 -1.96 -0.09 0.00 -1.56 0.00 0.00 55.97 52.21 2b3w s LYS 38 Cb -0.17 -4.48 -0.04 0.00 -1.46 0.00 0.00 37.83 31.68 2b3w s LYS 38 CO 0.07 -1.45 0.12 0.08 0.16 0.00 0.00 175.35 174.33 2b3w s VAL 39 N 1.44 4.91 -1.94 4.02 1.01 0.40 -4.40 120.40 125.83 2b3w s VAL 39 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2b3w s VAL 39 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2b3w s VAL 39 CO -0.04 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.88 2b3w n ASP 40 N 4.47 -5.45 0.00 3.32 8.00 -1.26 -1.40 116.55 124.23 2b3w n ASP 40 Ca -0.15 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2b3w n ASP 40 Cb 0.52 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3w n GLY 41 N -0.64 0.71 3.25 0.44 0.00 -1.26 -5.07 105.19 102.61 2b3w n GLY 41 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2b3w n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3w s LYS 42 N -0.85 1.02 -0.37 1.61 -0.14 -0.49 -5.10 119.74 115.42 2b3w s LYS 42 Ca 0.00 -1.16 -0.20 0.00 -1.36 0.00 0.00 55.97 53.25 2b3w s LYS 42 Cb 0.00 -1.07 0.01 0.00 -1.68 0.00 0.00 37.83 35.09 2b3w s LYS 42 CO 0.00 0.23 0.61 0.99 -0.76 0.00 0.00 175.35 176.42 2b3w s THR 43 N -1.61 4.90 -0.21 2.17 2.01 -1.26 -0.45 115.64 121.19 2b3w s THR 43 Ca 0.06 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 2b3w s THR 43 Cb -0.08 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2b3w s THR 43 CO 0.04 -0.35 0.11 0.26 -0.69 0.00 0.00 174.62 173.99 2b3w s TRP 44 N 2.66 3.33 0.31 4.92 0.52 0.44 -4.97 118.94 126.14 2b3w s TRP 44 Ca 0.23 0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.59 2b3w s TRP 44 Cb -0.15 -2.16 0.64 0.00 -1.15 0.00 0.00 33.47 30.65 2b3w s TRP 44 CO 0.15 0.18 1.85 -1.35 0.02 0.00 0.00 176.95 177.80 2b3w h PRO 45 N 6.92 0.87 -3.67 4.98 0.11 -1.94 -0.49 132.00 138.79 2b3w h PRO 45 Ca -0.39 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 2b3w h PRO 45 Cb 1.16 -0.20 -0.09 0.00 0.11 0.00 0.00 31.00 31.99 2b3w h PRO 45 CO 0.71 0.58 -0.11 0.95 -0.21 0.00 0.00 178.00 179.93 2b3w s THR 46 N -5.86 0.00 0.09 -1.15 -4.23 -1.26 -3.46 115.64 99.77 2b3w s THR 46 Ca -0.11 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 58.83 2b3w s THR 46 Cb 0.22 -2.28 -0.10 0.00 1.34 0.00 0.00 72.50 71.68 2b3w s THR 46 CO 0.80 0.00 1.40 0.28 -0.54 0.00 0.00 174.62 176.56 2b3w h SER 47 N 2.23 0.67 -0.04 3.99 0.02 -1.85 -3.18 113.55 115.40 2b3w h SER 47 Ca -0.26 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.18 2b3w h SER 47 Cb 1.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2b3w h SER 47 CO 0.36 1.01 -0.04 1.05 -1.14 0.00 0.00 176.83 178.08 2b3w h GLU 48 N 0.35 0.21 -0.87 3.45 -0.00 -1.98 -2.32 114.58 113.42 2b3w h GLU 48 Ca 0.04 -0.03 0.10 0.00 -0.00 0.00 0.00 59.36 59.47 2b3w h GLU 48 Cb 0.83 -0.04 -0.08 0.00 -0.00 0.00 0.00 28.75 29.46 2b3w h GLU 48 CO 0.06 0.27 0.51 0.45 -0.00 0.00 0.00 179.01 180.30 2b3w h HIS 49 N 0.21 0.92 -0.17 2.06 3.86 -1.92 0.50 115.15 120.61 2b3w h HIS 49 Ca 0.05 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.08 2b3w h HIS 49 Cb 0.21 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.40 2b3w h HIS 49 CO 0.00 0.37 -0.70 -0.92 0.86 0.00 0.00 177.93 177.55 2b3w h TYR 50 N 0.84 1.02 0.16 2.45 3.20 -1.56 -2.54 116.97 120.54 2b3w h TYR 50 Ca 0.42 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2b3w h TYR 50 Cb 0.39 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2b3w h TYR 50 CO -0.05 1.26 -0.08 0.35 -1.64 0.00 0.00 178.16 178.01 2b3w h PHE 51 N 0.50 -0.20 -0.85 -3.82 3.57 -0.98 -1.81 116.94 113.34 2b3w h PHE 51 Ca -0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2b3w h PHE 51 Cb 1.32 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2b3w h PHE 51 CO 0.09 -0.04 0.41 1.96 -2.23 0.00 0.00 178.31 178.50 2b3w h GLN 52 N -0.31 1.23 0.00 1.11 1.08 -0.13 -1.64 115.11 116.45 2b3w h GLN 52 Ca -0.02 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.94 2b3w h GLN 52 Cb 0.24 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2b3w h GLN 52 CO 0.04 0.94 -0.26 0.00 -0.95 0.00 0.00 178.83 178.59 2b3w h ALA 53 N 1.22 1.32 0.00 3.87 0.00 -1.35 -2.46 119.26 121.87 2b3w h ALA 53 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2b3w h ALA 53 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b3w h ALA 53 CO -0.04 0.33 -0.43 0.37 0.00 0.00 0.00 179.25 179.48 2b3w h GLN 54 N 0.00 0.00 0.21 0.00 5.75 -0.44 -3.33 115.11 117.30 2b3w h GLN 54 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2b3w h GLN 54 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 2b3w h GLN 54 CO 0.03 0.00 -0.10 -0.22 -2.65 0.00 0.00 178.83 175.89 2b3w h LYS 55 N 0.00 -0.27 -7.16 1.69 3.64 -0.85 -3.46 116.57 110.16 2b3w h LYS 55 Ca 0.00 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.89 2b3w h LYS 55 Cb 0.99 0.06 0.09 0.00 -0.41 0.00 0.00 32.23 32.96 2b3w h LYS 55 CO 0.00 -0.02 0.40 -0.06 -2.27 0.00 0.00 179.45 177.49 2b3w s PHE 56 N -5.26 2.65 -2.62 1.91 0.08 -1.22 -4.41 117.98 109.10 2b3w s PHE 56 Ca -0.15 1.55 0.24 0.00 0.12 0.00 0.00 56.93 58.69 2b3w s PHE 56 Cb 0.03 -3.21 0.30 0.00 -0.57 0.00 0.00 43.02 39.58 2b3w s PHE 56 CO 0.62 -1.63 1.31 1.28 -0.10 0.00 0.00 175.22 176.69 2b3w n LEU 57 N -1.98 2.43 -4.56 -0.37 4.32 -1.26 -4.84 117.00 110.74 2b3w n LEU 57 Ca 0.11 -0.82 -0.43 0.00 -0.02 0.00 0.00 56.01 54.84 2b3w n LEU 57 Cb 0.52 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.26 2b3w n LEU 57 CO 0.46 0.42 0.65 -1.81 -1.22 0.00 0.00 177.39 175.88 2b3w s ASP 58 N -2.15 6.47 0.34 -1.43 1.11 -1.26 -4.92 116.67 114.84 2b3w s ASP 58 Ca 0.27 0.07 0.02 0.00 0.18 0.00 0.00 52.55 53.08 2b3w s ASP 58 Cb 0.20 -2.42 0.59 0.00 1.07 0.00 0.00 42.92 42.36 2b3w s ASP 58 CO 0.38 -0.94 1.98 -0.33 1.18 0.00 0.00 175.17 177.44 2b3w h GLU 59 N 8.93 0.85 -0.74 8.23 4.39 -1.97 -1.68 114.58 132.58 2b3w h GLU 59 Ca -0.24 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 2b3w h GLU 59 Cb 1.08 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 2b3w h GLU 59 CO 0.98 0.59 0.36 -0.22 -1.16 0.00 0.00 179.01 179.56 2b3w h LYS 60 N 0.86 1.07 -0.37 2.33 3.64 -1.99 -2.61 116.57 119.50 2b3w h LYS 60 Ca 0.23 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2b3w h LYS 60 Cb -0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2b3w h LYS 60 CO -0.04 0.83 0.08 1.88 -2.27 0.00 0.00 179.45 179.93 2b3w h TYR 61 N 1.04 0.63 -0.07 1.91 0.05 -1.72 0.17 116.97 118.97 2b3w h TYR 61 Ca 0.25 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.88 2b3w h TYR 61 Cb 0.12 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2b3w h TYR 61 CO 0.01 0.63 -0.30 0.07 -1.05 0.00 0.00 178.16 177.51 2b3w h ARG 62 N 0.45 0.12 -0.22 4.88 0.11 -1.43 0.20 114.38 118.49 2b3w h ARG 62 Ca 0.11 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 60.01 2b3w h ARG 62 Cb 0.32 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 2b3w h ARG 62 CO 0.00 0.42 -0.46 1.49 0.10 0.00 0.00 179.97 181.53 2b3w h GLU 63 N 0.11 0.55 -0.66 0.08 4.57 -1.06 -0.55 114.58 117.62 2b3w h GLU 63 Ca 0.02 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 2b3w h GLU 63 Cb 0.60 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 2b3w h GLU 63 CO 0.04 0.90 0.15 1.49 -1.18 0.00 0.00 179.01 180.41 2b3w h GLU 64 N 0.44 1.06 0.00 1.92 4.57 0.34 -1.95 114.58 120.97 2b3w h GLU 64 Ca 0.03 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2b3w h GLU 64 Cb 0.97 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2b3w h GLU 64 CO 0.09 0.96 -0.04 0.82 -1.18 0.00 0.00 179.01 179.66 2b3w h ILE 65 N 0.99 0.09 0.00 2.32 2.04 -0.46 0.21 117.51 122.70 2b3w h ILE 65 Ca 0.21 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2b3w h ILE 65 Cb 0.38 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2b3w h ILE 65 CO 0.00 0.04 0.00 0.54 0.00 0.00 0.00 178.15 178.73 2b3w n ARG 66 N -3.14 0.01 -0.04 2.37 1.74 -0.23 -3.62 116.66 113.74 2b3w n ARG 66 Ca 0.01 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.12 2b3w n ARG 66 Cb 0.36 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 2b3w n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2b3w n ARG 67 N -1.52 2.15 -1.80 5.56 1.74 -0.29 -4.99 116.66 117.51 2b3w n ARG 67 Ca 0.06 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2b3w n ARG 67 Cb 0.30 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2b3w n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2b3w s VAL 68 N -2.30 3.11 -0.82 1.55 0.11 0.60 -4.86 120.40 117.78 2b3w s VAL 68 Ca -0.04 0.27 0.26 0.00 -2.93 0.00 0.00 61.98 59.53 2b3w s VAL 68 Cb 0.03 -3.17 0.13 0.00 -1.53 0.00 0.00 36.38 31.84 2b3w s VAL 68 CO 0.39 -0.02 1.58 -1.20 -3.33 0.00 0.00 175.10 172.52 2b3w n SER 69 N 6.93 0.53 -4.59 3.54 7.64 -1.26 -4.79 113.62 121.61 2b3w n SER 69 Ca 0.18 0.22 -0.36 0.00 1.01 0.00 0.00 58.87 59.92 2b3w n SER 69 Cb 0.41 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.33 2b3w n SER 69 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2b3w s SER 70 N -3.74 5.76 0.34 6.43 0.15 -1.26 -4.98 113.70 116.40 2b3w s SER 70 Ca 0.10 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.80 2b3w s SER 70 Cb 0.15 -2.03 0.60 0.00 -1.71 0.00 0.00 66.02 63.03 2b3w s SER 70 CO 0.65 0.05 1.87 1.55 1.20 0.00 0.00 173.24 178.56 2b3w h PRO 71 N 7.66 0.52 -0.45 5.44 0.13 -2.00 -2.92 132.00 140.38 2b3w h PRO 71 Ca -0.37 -0.11 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 2b3w h PRO 71 Cb 1.17 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2b3w h PRO 71 CO 0.63 0.55 -0.10 0.52 -0.23 0.00 0.00 178.00 179.37 2b3w h MET 72 N 0.50 0.81 -0.43 0.86 2.86 -1.98 0.15 114.93 117.70 2b3w h MET 72 Ca 0.11 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 2b3w h MET 72 Cb 0.33 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2b3w h MET 72 CO 0.01 0.88 -0.18 0.28 1.06 0.00 0.00 176.91 178.96 2b3w h VAL 73 N 0.73 1.27 -0.37 -2.22 2.07 -1.96 0.62 116.25 116.40 2b3w h VAL 73 Ca 0.12 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2b3w h VAL 73 Cb 0.58 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2b3w h VAL 73 CO 0.04 0.45 0.14 0.00 0.02 0.00 0.00 177.57 178.22 2b3w h ALA 74 N 0.84 0.49 -0.78 1.67 0.00 -1.31 -1.09 119.26 119.08 2b3w h ALA 74 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b3w h ALA 74 Cb 0.74 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2b3w h ALA 74 CO 0.06 0.10 0.51 0.00 0.00 0.00 0.00 179.25 179.92 2b3w h ALA 75 N 0.98 1.00 -0.47 0.00 0.00 -0.85 -2.20 119.26 117.73 2b3w h ALA 75 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2b3w h ALA 75 Cb 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2b3w h ALA 75 CO -0.01 0.38 0.29 -0.09 0.00 0.00 0.00 179.25 179.82 2b3w h ARG 76 N 1.04 0.64 -0.03 0.00 2.43 -0.51 0.35 114.38 118.29 2b3w h ARG 76 Ca 0.30 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2b3w h ARG 76 Cb -0.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2b3w h ARG 76 CO -0.08 0.46 -0.08 0.52 -1.51 0.00 0.00 179.97 179.28 2b3w h MET 77 N 0.63 -0.13 0.00 0.20 2.86 -0.90 -2.14 114.93 115.45 2b3w h MET 77 Ca 0.17 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2b3w h MET 77 Cb -0.01 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2b3w h MET 77 CO -0.03 -0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.26 2b3w n GLY 78 N -1.21 -1.39 0.14 8.32 0.00 -0.85 -2.85 105.19 107.34 2b3w n GLY 78 Ca -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2b3w n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b3w h ARG 79 N 0.00 0.11 -6.84 1.61 9.65 -0.24 -3.45 114.38 115.22 2b3w h ARG 79 Ca 0.00 -0.09 -0.53 0.00 -1.10 0.00 0.00 59.98 58.27 2b3w h ARG 79 Cb 0.47 0.02 0.07 0.00 -1.39 0.00 0.00 29.97 29.14 2b3w h ARG 79 CO 0.00 0.75 0.72 0.34 2.80 0.00 0.00 179.97 184.57 2b3w s ASP 80 N -6.87 6.64 0.00 -3.80 2.15 -1.13 -4.92 116.67 108.74 2b3w s ASP 80 Ca -0.02 2.76 0.16 0.00 0.43 0.00 0.00 52.55 55.87 2b3w s ASP 80 Cb 0.12 -2.64 0.27 0.00 -0.30 0.00 0.00 42.92 40.37 2b3w s ASP 80 CO 0.79 -0.67 1.18 -1.14 -0.17 0.00 0.00 175.17 175.15 2b3w n ARG 81 N 1.34 1.97 0.05 4.34 3.00 -1.26 -4.35 116.66 121.75 2b3w n ARG 81 Ca 0.03 -1.85 -0.11 0.00 -0.00 0.00 0.00 57.85 55.92 2b3w n ARG 81 Cb 0.41 -1.35 -0.13 0.00 0.00 0.00 0.00 32.46 31.39 2b3w n ARG 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2b3w h SER 82 N 3.06 0.14 -4.04 6.15 0.02 -1.97 -3.46 113.55 113.46 2b3w h SER 82 Ca 0.00 -0.19 -0.53 0.00 -0.84 0.00 0.00 61.79 60.24 2b3w h SER 82 Cb 0.75 -0.05 0.10 0.00 0.14 0.00 0.00 62.40 63.35 2b3w h SER 82 CO 0.00 1.15 0.54 -0.54 -1.14 0.00 0.00 176.83 176.84 2b3w s LYS 83 N -2.66 3.38 0.59 3.45 -0.14 -1.26 -4.98 119.74 118.13 2b3w s LYS 83 Ca -0.03 1.98 -0.20 0.00 -1.36 0.00 0.00 55.97 56.36 2b3w s LYS 83 Cb 0.08 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 2b3w s LYS 83 CO 0.84 -0.92 1.31 -2.30 -0.76 0.00 0.00 175.35 173.51 2b3w n PRO 84 N -0.88 1.40 -4.28 -1.68 -0.02 -1.26 -5.04 135.00 123.24 2b3w n PRO 84 Ca 0.09 0.53 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 2b3w n PRO 84 Cb 0.47 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2b3w s LEU 85 N -3.76 3.24 0.43 2.45 1.43 -1.26 -4.53 118.68 116.68 2b3w s LEU 85 Ca 0.77 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 2b3w s LEU 85 Cb -0.40 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 2b3w s LEU 85 CO 0.45 0.00 0.86 -0.13 0.23 0.00 0.00 176.35 177.76 2b3w s ARG 86 N -3.65 3.93 0.28 1.70 0.52 -1.26 -4.98 118.95 115.49 2b3w s ARG 86 Ca 0.31 0.75 0.03 0.00 -0.52 0.00 0.00 55.73 56.30 2b3w s ARG 86 Cb -0.07 -2.29 0.40 0.00 0.52 0.00 0.00 34.95 33.52 2b3w s ARG 86 CO 0.20 -0.08 1.70 0.87 0.02 0.00 0.00 175.30 178.01 2b3w h LYS 87 N 1.40 0.41 -0.67 3.54 6.56 -2.00 -2.77 116.57 123.04 2b3w h LYS 87 Ca -0.47 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 2b3w h LYS 87 Cb 1.18 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2b3w h LYS 87 CO 0.63 0.69 0.00 0.27 -2.06 0.00 0.00 179.45 178.98 2b3w n ASN 88 N -4.08 4.42 0.23 0.86 0.23 -1.26 -4.29 115.26 111.37 2b3w n ASN 88 Ca -0.01 -2.28 0.16 0.00 -0.53 0.00 0.00 54.58 51.92 2b3w n ASN 88 Cb 0.44 -0.54 0.74 0.00 -2.08 0.00 0.00 39.78 38.35 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2b3w h TRP 89 N 4.08 0.00 -0.64 -2.53 -0.00 -1.88 -0.23 115.95 114.76 2b3w h TRP 89 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 2b3w h TRP 89 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.40 2b3w h TRP 89 CO 0.65 0.00 0.08 1.05 -0.00 0.00 0.00 178.44 180.22 2b3w h GLU 90 N 0.00 1.07 0.01 2.65 -0.00 -1.79 -3.31 114.58 113.20 2b3w h GLU 90 Ca 0.00 -0.29 -0.40 0.00 -0.00 0.00 0.00 59.36 58.67 2b3w h GLU 90 Cb 0.26 -0.12 -0.07 0.00 -0.00 0.00 0.00 28.75 28.82 2b3w h GLU 90 CO 0.00 0.99 -2.44 -1.13 -0.00 0.00 0.00 179.01 176.43 2b3w n SER 91 N -4.21 1.98 0.12 3.06 3.41 -0.70 -4.56 113.62 112.72 2b3w n SER 91 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.76 2b3w n SER 91 Cb 0.30 -0.54 0.47 0.00 -0.26 0.00 0.00 64.21 64.18 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2b3w n VAL 92 N -3.52 0.92 -0.26 -3.33 0.24 -0.18 -2.71 118.33 109.48 2b3w n VAL 92 Ca -0.47 0.33 0.05 0.00 -2.04 0.00 0.00 64.34 62.21 2b3w n VAL 92 Cb 0.96 -1.25 0.18 0.00 -1.47 0.00 0.00 33.84 32.26 2b3w n VAL 92 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2b3w h LYS 93 N 0.00 0.45 0.00 7.34 1.57 -1.80 0.66 116.57 124.79 2b3w h LYS 93 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2b3w h LYS 93 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2b3w h LYS 93 CO 0.00 0.30 -0.57 0.93 -0.57 0.00 0.00 179.45 179.54 2b3w h GLU 94 N 0.47 0.00 -0.30 3.15 5.08 -1.85 -1.67 114.58 119.47 2b3w h GLU 94 Ca 0.41 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.60 2b3w h GLU 94 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2b3w h GLU 94 CO -0.39 0.52 -0.47 1.96 -1.00 0.00 0.00 179.01 179.64 2b3w h GLN 95 N 0.00 0.84 -0.09 2.33 7.50 -1.46 0.22 115.11 124.46 2b3w h GLN 95 Ca -0.01 -0.51 -0.01 0.00 0.50 0.00 0.00 58.65 58.62 2b3w h GLN 95 Cb 1.42 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.99 2b3w h GLN 95 CO 0.07 1.15 0.03 0.28 -1.50 0.00 0.00 178.83 178.85 2b3w h VAL 96 N 0.62 1.17 -0.02 -0.54 2.07 -0.83 -2.42 116.25 116.30 2b3w h VAL 96 Ca 0.03 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 2b3w h VAL 96 Cb 1.07 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2b3w h VAL 96 CO 0.11 0.15 -0.52 -0.03 0.02 0.00 0.00 177.57 177.30 2b3w h MET 97 N -0.03 0.06 -0.61 1.57 1.85 -1.32 -2.38 114.93 114.07 2b3w h MET 97 Ca 0.03 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 2b3w h MET 97 Cb 0.21 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 2b3w h MET 97 CO -0.00 0.57 0.16 -0.09 -0.40 0.00 0.00 176.91 177.14 2b3w h ARG 98 N 0.05 0.94 -0.49 0.39 2.43 -0.84 0.13 114.38 117.00 2b3w h ARG 98 Ca -0.00 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 2b3w h ARG 98 Cb 0.93 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2b3w h ARG 98 CO 0.07 0.83 0.08 0.87 -1.51 0.00 0.00 179.97 180.31 2b3w h LYS 99 N 0.91 0.81 -0.15 0.20 1.57 -1.09 0.20 116.57 119.00 2b3w h LYS 99 Ca 0.20 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2b3w h LYS 99 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2b3w h LYS 99 CO -0.00 0.81 0.08 0.00 -0.57 0.00 0.00 179.45 179.77 2b3w h ALA 100 N 0.96 0.20 -0.28 3.86 0.00 -0.96 0.49 119.26 123.52 2b3w h ALA 100 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2b3w h ALA 100 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2b3w h ALA 100 CO 0.01 -0.26 0.13 -0.07 0.00 0.00 0.00 179.25 179.06 2b3w h LEU 101 N 0.14 0.37 0.15 0.00 3.38 -0.67 -0.78 115.31 117.90 2b3w h LEU 101 Ca 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2b3w h LEU 101 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2b3w h LEU 101 CO -0.01 0.39 -0.11 -0.09 0.09 0.00 0.00 178.44 178.72 2b3w h ARG 102 N 0.32 -0.25 0.00 1.13 2.43 -0.47 -1.54 114.38 116.00 2b3w h ARG 102 Ca 0.10 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2b3w h ARG 102 Cb 0.12 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2b3w h ARG 102 CO -0.01 -0.17 -0.14 0.00 -1.51 0.00 0.00 179.97 178.14 2b3w h ALA 103 N 0.58 1.76 0.29 2.80 0.00 -0.86 0.15 119.26 123.98 2b3w h ALA 103 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2b3w h ALA 103 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b3w h ALA 103 CO -0.00 0.17 -0.14 -0.22 0.00 0.00 0.00 179.25 179.06 2b3w h LYS 104 N 0.00 -0.38 0.00 0.00 3.64 -0.43 -0.53 116.57 118.88 2b3w h LYS 104 Ca -0.00 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2b3w h LYS 104 Cb 0.24 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2b3w h LYS 104 CO 0.02 -0.12 -0.26 0.74 -2.27 0.00 0.00 179.45 177.56 2b3w h PHE 105 N -0.61 0.00 -0.00 1.91 0.04 -1.01 -2.47 116.94 114.81 2b3w h PHE 105 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 2b3w h PHE 105 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2b3w h PHE 105 CO -0.00 0.26 -0.01 0.93 -0.60 0.00 0.00 178.31 178.89 2b3w h GLU 106 N 0.00 0.01 0.00 1.51 5.08 -0.69 -3.32 114.58 117.17 2b3w h GLU 106 Ca -0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2b3w h GLU 106 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2b3w h GLU 106 CO 0.03 0.62 -0.35 1.96 -1.00 0.00 0.00 179.01 180.28 2b3w h GLN 107 N -0.60 0.00 -4.63 2.33 7.50 -1.12 -3.38 115.11 115.20 2b3w h GLN 107 Ca -0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 2b3w h GLN 107 Cb 0.62 0.00 -0.37 0.00 0.05 0.00 0.00 27.48 27.79 2b3w h GLN 107 CO 0.00 0.35 -0.65 -1.01 -1.50 0.00 0.00 178.83 176.02 2b3w s HIS 108 N -3.66 3.60 0.36 2.96 3.76 -0.93 -4.97 115.29 116.42 2b3w s HIS 108 Ca -0.00 -2.58 0.07 0.00 -0.15 0.00 0.00 55.06 52.40 2b3w s HIS 108 Cb 0.11 -2.88 0.70 0.00 1.11 0.00 0.00 32.58 31.62 2b3w s HIS 108 CO 0.68 -0.94 1.89 0.00 -0.85 0.00 0.00 174.74 175.53 2b3w h ALA 109 N 7.85 1.44 -0.02 -1.40 0.00 -1.76 -1.67 119.26 123.70 2b3w h ALA 109 Ca -0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2b3w h ALA 109 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2b3w h ALA 109 CO 0.59 0.39 -0.46 1.05 0.00 0.00 0.00 179.25 180.82 2b3w h GLU 110 N 0.35 0.05 -0.06 0.00 9.09 -1.93 1.00 114.58 123.07 2b3w h GLU 110 Ca 0.07 -0.03 -0.22 0.00 0.05 0.00 0.00 59.36 59.24 2b3w h GLU 110 Cb 0.36 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.47 2b3w h GLU 110 CO 0.02 0.51 -0.86 -0.07 0.05 0.00 0.00 179.01 178.65 2b3w h LEU 111 N 0.04 0.71 -0.43 3.06 3.38 -1.70 -1.17 115.31 119.21 2b3w h LEU 111 Ca -0.00 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 2b3w h LEU 111 Cb 0.84 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2b3w h LEU 111 CO 0.06 1.29 0.13 -0.09 0.09 0.00 0.00 178.44 179.92 2b3w h ARG 112 N 0.36 0.67 -0.54 1.13 2.43 -0.89 0.14 114.38 117.68 2b3w h ARG 112 Ca -0.07 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2b3w h ARG 112 Cb 1.48 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 2b3w h ARG 112 CO 0.16 0.66 0.28 0.00 -1.51 0.00 0.00 179.97 179.56 2b3w h ALA 113 N 0.98 0.69 -0.26 2.80 0.00 -0.81 -0.66 119.26 122.00 2b3w h ALA 113 Ca 0.14 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2b3w h ALA 113 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2b3w h ALA 113 CO -0.00 0.23 0.08 1.25 0.00 0.00 0.00 179.25 180.81 2b3w h LEU 114 N 0.72 0.08 -0.58 0.00 5.85 -0.92 0.17 115.31 120.63 2b3w h LEU 114 Ca 0.19 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2b3w h LEU 114 Cb 0.08 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2b3w h LEU 114 CO -0.03 0.08 0.32 0.25 -0.34 0.00 0.00 178.44 178.72 2b3w h LEU 115 N 0.19 0.50 -1.08 2.25 5.85 -0.40 -2.07 115.31 120.55 2b3w h LEU 115 Ca 0.11 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2b3w h LEU 115 Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2b3w h LEU 115 CO -0.13 0.34 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.79 2b3w h LEU 116 N 0.63 0.00 -1.07 2.25 3.38 -0.76 -2.76 115.31 116.98 2b3w h LEU 116 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2b3w h LEU 116 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2b3w h LEU 116 CO -0.14 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.84 2b3w h ALA 117 N 1.55 1.00 -0.12 1.53 0.00 -0.25 -2.80 119.26 120.18 2b3w h ALA 117 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2b3w h ALA 117 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2b3w h ALA 117 CO 0.06 0.00 -0.67 1.79 0.00 0.00 0.00 179.25 180.43 2b3w h THR 118 N 0.00 1.35 -2.15 0.00 1.35 -1.30 -3.36 112.91 108.81 2b3w h THR 118 Ca 0.00 -2.00 -0.63 0.00 -0.55 0.00 0.00 66.41 63.23 2b3w h THR 118 Cb 0.45 1.98 0.07 0.00 -1.73 0.00 0.00 68.15 68.92 2b3w h THR 118 CO 0.00 0.61 0.45 0.00 -0.25 0.00 0.00 175.52 176.33 2b3w n ALA 119 N -2.52 -0.05 -1.33 6.62 0.00 -1.06 0.91 120.51 123.09 2b3w n ALA 119 Ca -0.04 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 2b3w n ALA 119 Cb 0.67 -2.14 0.09 0.00 0.00 0.00 0.00 19.45 18.07 2b3w n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2b3w n PRO 120 N 2.11 2.65 -1.78 0.00 -0.04 -1.26 -4.73 135.00 131.96 2b3w n PRO 120 Ca 0.15 -3.27 -0.32 0.00 -0.04 0.00 0.00 63.50 60.02 2b3w n PRO 120 Cb 0.26 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.48 2b3w n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3w s ALA 121 N -3.75 2.73 -0.24 0.55 0.00 0.26 -4.52 121.76 116.79 2b3w s ALA 121 Ca 0.64 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 2b3w s ALA 121 Cb 0.50 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2b3w s ALA 121 CO 0.01 -1.02 0.37 0.21 0.00 0.00 0.00 175.76 175.32 2b3w s LYS 122 N -4.68 4.09 -0.27 0.00 2.20 0.79 -4.94 119.74 116.93 2b3w s LYS 122 Ca 0.60 0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 56.10 2b3w s LYS 122 Cb -0.14 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2b3w s LYS 122 CO 0.48 -0.14 0.61 -0.51 -0.36 0.00 0.00 175.35 175.43 2b3w s LEU 123 N 1.65 4.08 -0.07 5.43 1.43 -1.26 -0.05 118.68 129.89 2b3w s LEU 123 Ca 0.16 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2b3w s LEU 123 Cb -0.15 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.29 2b3w s LEU 123 CO 0.08 -0.39 0.02 -0.69 0.23 0.00 0.00 176.35 175.61 2b3w s VAL 124 N 2.50 0.25 -0.32 -1.59 1.01 -0.64 -4.32 120.40 117.29 2b3w s VAL 124 Ca 0.25 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2b3w s VAL 124 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2b3w s VAL 124 CO 0.09 0.21 0.33 -0.70 0.00 0.00 0.00 175.10 175.04 2b3w s GLU 125 N 2.02 3.71 -1.26 2.72 2.12 -1.26 -0.81 118.70 125.94 2b3w s GLU 125 Ca 0.05 -0.32 -0.14 0.00 0.36 0.00 0.00 54.97 54.92 2b3w s GLU 125 Cb -0.12 -3.75 0.14 0.00 0.26 0.00 0.00 34.13 30.65 2b3w s GLU 125 CO -0.05 -0.42 1.65 1.58 -0.54 0.00 0.00 175.26 177.48 2b3w n HIS 126 N 5.31 4.37 -2.86 5.30 -0.00 -1.05 -3.25 115.22 123.05 2b3w n HIS 126 Ca -0.10 -3.11 -0.43 0.00 0.46 0.00 0.00 57.72 54.54 2b3w n HIS 126 Cb 0.50 -2.25 -0.04 0.00 -0.12 0.00 0.00 29.99 28.08 2b3w n HIS 126 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2b3w s THR 127 N 1.92 4.46 -0.14 3.57 2.01 -1.26 -4.83 115.64 121.37 2b3w s THR 127 Ca 0.45 0.43 0.15 0.00 0.31 0.00 0.00 61.69 63.03 2b3w s THR 127 Cb 0.02 -4.47 -0.21 0.00 0.01 0.00 0.00 72.50 67.85 2b3w s THR 127 CO 0.01 -0.97 0.11 -1.84 -0.69 0.00 0.00 174.62 171.24 2b3w n GLU 128 N 7.24 1.21 -0.29 4.92 -0.00 -1.26 -0.67 120.64 131.80 2b3w n GLU 128 Ca 0.03 -0.03 0.02 0.00 -0.00 0.00 0.00 57.16 57.18 2b3w n GLU 128 Cb 0.48 -1.42 0.15 0.00 -0.00 0.00 0.00 31.44 30.65 2b3w n GLU 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2b3w h ASN 129 N 0.00 0.70 -3.65 -1.84 2.35 -1.89 -3.41 115.58 107.84 2b3w h ASN 129 Ca -0.38 0.04 -0.25 0.00 -0.55 0.00 0.00 56.30 55.16 2b3w h ASN 129 Cb 1.83 -0.10 -0.30 0.00 0.05 0.00 0.00 38.32 39.79 2b3w h ASN 129 CO 0.02 0.42 -0.71 -0.62 -1.65 0.00 0.00 177.43 174.89 2b3w s ASP 130 N -5.65 0.01 -0.90 5.81 2.15 -1.26 -5.10 116.67 111.74 2b3w s ASP 130 Ca -0.12 0.05 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 2b3w s ASP 130 Cb 0.19 0.00 0.23 0.00 -0.30 0.00 0.00 42.92 43.04 2b3w s ASP 130 CO 0.78 -0.05 0.85 0.00 -0.17 0.00 0.00 175.17 176.57 2b3w s ALA 131 N 0.42 4.24 0.00 3.66 0.00 -1.26 -4.36 121.76 124.46 2b3w s ALA 131 Ca -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 51.96 48.46 2b3w s ALA 131 Cb -0.05 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2b3w s ALA 131 CO -0.01 -2.26 0.00 0.98 0.00 0.00 0.00 175.76 174.47 2b3w n TYR 132 N 3.62 -0.43 -3.80 0.00 4.19 -1.20 -4.94 117.16 114.60 2b3w n TYR 132 Ca 0.16 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 61.08 2b3w n TYR 132 Cb 0.45 0.26 -0.16 0.00 0.49 0.00 0.00 39.34 40.38 2b3w n TYR 132 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 2b3w s TRP 133 N -1.53 1.62 -2.24 2.98 0.52 -1.21 -4.59 118.94 114.50 2b3w s TRP 133 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 56.10 54.75 2b3w s TRP 133 Cb 0.00 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 2b3w s TRP 133 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 176.95 176.65 2b3w n GLY 134 N 4.88 0.47 0.15 0.98 0.00 0.87 -4.57 105.19 107.96 2b3w n GLY 134 Ca -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2b3w n GLY 134 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b3w h ASP 135 N 0.00 0.00 -0.01 1.61 5.19 -1.68 -1.75 116.42 119.77 2b3w h ASP 135 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2b3w h ASP 135 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2b3w h ASP 135 CO 0.00 0.58 -0.00 0.61 -3.12 0.00 0.00 179.24 177.30 2b3w n GLY 136 N 0.34 0.27 1.25 2.75 0.00 0.16 0.35 105.19 110.31 2b3w n GLY 136 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2b3w n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3w n GLY 137 N -1.04 1.70 0.00 -0.02 0.00 -0.50 -4.63 105.19 100.70 2b3w n GLY 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b3w n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2b3w n HIS 138 N -2.00 0.00 0.00 1.61 1.44 -1.05 -4.98 115.22 110.25 2b3w n HIS 138 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 138 Cb 0.00 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.12 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2b3w n GLY 139 N 0.00 3.21 2.39 -1.39 0.00 0.15 -4.92 105.19 104.63 2b3w n GLY 139 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2b3w n GLY 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3w n LYS 140 N 0.00 3.72 -0.17 1.61 4.81 -1.18 -3.92 118.16 123.03 2b3w n LYS 140 Ca 0.00 -2.43 0.02 0.00 -0.87 0.00 0.00 58.31 55.03 2b3w n LYS 140 Cb 0.00 -2.84 0.03 0.00 0.02 0.00 0.00 35.03 32.24 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b3w n GLY 141 N 3.39 0.85 2.15 3.14 0.00 -0.75 -4.79 105.19 109.18 2b3w n GLY 141 Ca 0.73 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 2b3w n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3w n LYS 142 N -0.39 -1.12 0.00 1.61 5.02 -1.07 -3.11 118.16 119.10 2b3w n LYS 142 Ca 0.03 1.27 0.06 0.00 -2.02 0.00 0.00 58.31 57.66 2b3w n LYS 142 Cb 0.54 -3.50 0.39 0.00 -0.02 0.00 0.00 35.03 32.44 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3w n ASN 143 N -0.44 0.00 0.00 4.39 2.85 -0.68 -0.09 115.26 121.28 2b3w n ASN 143 Ca 0.06 -1.37 0.02 0.00 -0.11 0.00 0.00 54.58 53.18 2b3w n ASN 143 Cb 0.23 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.35 2b3w n ASN 143 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2b3w n ARG 144 N -0.73 0.03 -0.02 1.20 1.74 -1.26 0.14 116.66 117.76 2b3w n ARG 144 Ca 0.10 0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2b3w n ARG 144 Cb 0.04 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 2b3w n ARG 144 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2b3w h LEU 145 N 0.00 0.10 -1.22 0.55 5.85 -1.94 0.33 115.31 118.97 2b3w h LEU 145 Ca 0.00 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2b3w h LEU 145 Cb 0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2b3w h LEU 145 CO 0.00 0.40 0.54 1.23 -0.34 0.00 0.00 178.44 180.27 2b3w h GLY 146 N -0.21 1.15 0.92 3.75 0.00 -0.49 -1.15 103.07 107.03 2b3w h GLY 146 Ca 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2b3w h GLY 146 CO 0.00 0.36 0.11 -1.82 0.00 0.00 0.00 176.54 175.20 2b3w h TYR 147 N 1.03 0.51 -0.89 5.60 3.20 -1.25 -1.38 116.97 123.80 2b3w h TYR 147 Ca 0.32 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.21 2b3w h TYR 147 Cb -0.00 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.05 2b3w h TYR 147 CO -0.00 0.50 0.55 -0.07 -1.64 0.00 0.00 178.16 177.51 2b3w h LEU 148 N 0.37 0.86 -0.42 2.82 3.38 0.26 0.78 115.31 123.36 2b3w h LEU 148 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2b3w h LEU 148 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2b3w h LEU 148 CO -0.01 0.54 0.28 -0.07 0.09 0.00 0.00 178.44 179.27 2b3w h LEU 149 N 0.99 0.48 -0.46 1.67 3.38 -0.98 -0.12 115.31 120.26 2b3w h LEU 149 Ca 0.40 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.18 2b3w h LEU 149 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2b3w h LEU 149 CO -0.19 0.34 -0.59 0.24 0.09 0.00 0.00 178.44 178.34 2b3w h MET 150 N 0.56 0.58 -0.07 1.13 2.86 -0.20 -1.11 114.93 118.68 2b3w h MET 150 Ca 0.15 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2b3w h MET 150 Cb -0.06 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2b3w h MET 150 CO -0.03 1.00 0.03 1.49 1.06 0.00 0.00 176.91 180.45 2b3w h GLU 151 N 0.43 0.10 -0.26 1.72 4.57 0.76 -2.03 114.58 119.88 2b3w h GLU 151 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2b3w h GLU 151 Cb 1.14 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2b3w h GLU 151 CO 0.11 0.21 -0.18 1.25 -1.18 0.00 0.00 179.01 179.22 2b3w h LEU 152 N -0.03 0.44 -0.37 1.64 5.85 -1.03 -2.86 115.31 118.95 2b3w h LEU 152 Ca 0.02 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2b3w h LEU 152 Cb 0.14 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2b3w h LEU 152 CO -0.00 0.64 0.01 -0.09 -0.34 0.00 0.00 178.44 178.66 2b3w h ARG 153 N 0.41 0.11 -0.98 1.25 2.43 -0.82 -0.58 114.38 116.20 2b3w h ARG 153 Ca 0.07 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2b3w h ARG 153 Cb 0.55 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 2b3w h ARG 153 CO 0.04 0.08 0.65 0.93 -1.51 0.00 0.00 179.97 180.15 2b3w h GLU 154 N 0.12 1.29 -0.76 0.20 4.39 -1.15 0.35 114.58 119.01 2b3w h GLU 154 Ca 0.18 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 2b3w h GLU 154 Cb 0.24 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2b3w h GLU 154 CO -0.29 0.85 0.26 1.96 -1.16 0.00 0.00 179.01 180.63 2b3w h GLN 155 N 1.33 1.17 0.00 2.33 4.20 -1.24 -1.34 115.11 121.55 2b3w h GLN 155 Ca 0.36 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2b3w h GLN 155 Cb -0.15 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.45 2b3w h GLN 155 CO -0.08 0.98 0.00 -0.07 -0.67 0.00 0.00 178.83 178.99 2b3w h LEU 156 N 1.12 0.00 0.11 1.46 3.38 -0.28 -2.42 115.31 118.68 2b3w h LEU 156 Ca 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 2b3w h LEU 156 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2b3w h LEU 156 CO -0.01 0.00 -0.65 0.00 0.09 0.00 0.00 178.44 177.87 2b3w h ALA 157 N 2.45 -0.07 0.00 1.53 0.00 -0.33 -3.28 119.26 119.56 2b3w h ALA 157 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2b3w h ALA 157 Cb 0.69 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2b3w h ALA 157 CO 0.00 0.30 -0.03 0.82 0.00 0.00 0.00 179.25 180.34 2b3w h ILE 158 N -0.47 0.95 -0.45 0.00 2.04 -1.17 -2.17 117.51 116.23 2b3w h ILE 158 Ca -0.11 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.73 2b3w h ILE 158 Cb 1.50 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 38.54 2b3w h ILE 158 CO 0.12 0.03 -0.30 -0.08 0.00 0.00 0.00 178.15 177.92 2b3w h GLU 159 N 0.00 -0.20 0.00 2.37 4.81 -1.49 -1.70 114.58 118.36 2b3w h GLU 159 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2b3w h GLU 159 Cb 0.06 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2b3w h GLU 159 CO 0.00 -0.13 -0.04 1.63 -0.73 0.00 0.00 179.01 179.74 2b3w n LYS 160 N -5.42 0.05 0.22 1.92 5.02 -0.83 -2.40 118.16 116.72 2b3w n LYS 160 Ca 0.02 0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 2b3w n LYS 160 Cb 0.34 -1.55 0.38 0.00 -0.02 0.00 0.00 35.03 34.17 2b3w n LYS 160 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2b3w h LEU 161 N 0.00 0.00 -0.25 -0.35 4.07 -1.14 -2.96 115.31 114.68 2b3w h LEU 161 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2b3w h LEU 161 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2b3w h LEU 161 CO 0.00 0.15 0.00 -0.62 -1.08 0.00 0.00 178.44 176.89 2b3w n GLU 162 N -3.21 1.17 0.29 1.13 -0.58 -1.01 -3.77 120.64 114.66 2b3w n GLU 162 Ca 0.02 -0.25 0.16 0.00 -0.42 0.00 0.00 57.16 56.67 2b3w n GLU 162 Cb 0.47 -1.28 0.89 0.00 -0.57 0.00 0.00 31.44 30.95 2b3w n GLU 162 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2b3w h HIS 163 N 0.49 0.00 -0.05 -0.32 2.07 -1.68 -1.77 115.15 113.90 2b3w h HIS 163 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2b3w h HIS 163 Cb 0.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 2b3w h HIS 163 CO 0.03 0.05 -0.26 1.58 -3.07 0.00 0.00 177.93 176.26 2b3w n HIS 164 N -3.51 0.15 -4.02 6.12 -0.00 -1.25 -5.02 115.22 107.70 2b3w n HIS 164 Ca -0.02 -1.31 -0.01 0.00 -0.00 0.00 0.00 57.72 56.38 2b3w n HIS 164 Cb 0.17 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.99 29.91 2b3w n HIS 164 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b3w n HIS 165 N -1.20 0.02 0.00 1.57 -0.00 -0.66 -4.90 115.22 110.05 2b3w n HIS 165 Ca 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2b3w n HIS 165 Cb 0.72 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 2b3w n HIS 165 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b3w n HIS 166 N -0.04 0.00 -3.80 4.41 8.25 -1.26 -4.76 115.22 118.03 2b3w n HIS 166 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 2b3w n HIS 166 Cb 0.02 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 2b3w n HIS 166 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2b3w s HIS 167 N 0.00 -0.01 0.00 4.41 3.76 -1.26 -5.26 115.29 116.92 2b3w s HIS 167 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2b3w s HIS 167 Cb 0.00 0.34 0.00 0.00 1.11 0.00 0.00 32.58 34.03 2b3w s HIS 167 CO 0.00 -0.93 0.00 -2.39 -0.85 0.00 0.00 174.74 170.57