#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 2.53 0.35 0.03 0.04 -1.26 -4.78 135.00 131.91 2b3w s PRO 2 Ca 0.00 0.07 0.19 0.00 0.04 0.00 0.00 61.00 61.29 2b3w s PRO 2 Cb 0.00 -4.82 0.21 0.00 0.04 0.00 0.00 34.50 29.93 2b3w s PRO 2 CO 0.00 -3.21 1.53 -0.24 0.04 0.00 0.00 177.00 175.11 2b3w h VAL 3 N 7.17 0.50 0.00 -0.36 3.04 -1.99 -3.48 116.25 121.13 2b3w h VAL 3 Ca -0.03 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 2b3w h VAL 3 Cb 1.06 2.23 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 2b3w h VAL 3 CO 1.20 0.28 0.00 0.54 -1.01 0.00 0.00 177.57 178.59 2b3w n ARG 4 N -3.18 0.00 0.00 4.17 1.74 -1.26 -4.71 116.66 113.42 2b3w n ARG 4 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2b3w n ARG 4 Cb 0.64 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3w n ALA 5 N 0.65 0.00 -1.98 7.54 0.00 -1.26 -4.89 120.51 120.58 2b3w n ALA 5 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2b3w n ALA 5 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2b3w n ALA 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2b3w s GLN 6 N 0.00 2.63 -0.13 0.00 -0.21 -1.26 -4.62 119.66 116.06 2b3w s GLN 6 Ca 0.00 0.79 -0.01 0.00 0.02 0.00 0.00 55.36 56.16 2b3w s GLN 6 Cb 0.00 -4.39 -0.08 0.00 1.00 0.00 0.00 33.01 29.54 2b3w s GLN 6 CO 0.00 -2.72 -0.13 0.54 -2.12 0.00 0.00 175.29 170.86 2b3w n ARG 7 N 9.09 0.32 -4.14 2.91 1.74 -1.26 -5.02 116.66 120.30 2b3w n ARG 7 Ca 0.23 0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 57.17 2b3w n ARG 7 Cb 0.52 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 2b3w n ARG 7 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2b3w s ILE 8 N -2.26 4.29 -0.21 0.55 -4.36 -1.26 -5.12 121.20 112.82 2b3w s ILE 8 Ca -0.18 -1.48 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 2b3w s ILE 8 Cb 0.05 -3.31 0.09 0.00 1.25 0.00 0.00 42.46 40.54 2b3w s ILE 8 CO 0.29 -0.35 0.20 -1.58 0.24 0.00 0.00 174.94 173.75 2b3w s GLN 9 N -3.79 0.18 -0.02 0.37 2.00 -1.26 -5.03 119.66 112.10 2b3w s GLN 9 Ca 0.33 0.09 -0.02 0.00 -2.00 0.00 0.00 55.36 53.75 2b3w s GLN 9 Cb -0.08 -1.26 0.01 0.00 0.80 0.00 0.00 33.01 32.48 2b3w s GLN 9 CO 0.24 -0.71 0.04 1.58 -0.50 0.00 0.00 175.29 175.95 2b3w n HIS 10 N 5.31 -2.97 -2.15 1.67 -0.00 -1.26 -5.03 115.22 110.79 2b3w n HIS 10 Ca -0.05 1.75 -0.27 0.00 -0.00 0.00 0.00 57.72 59.15 2b3w n HIS 10 Cb 0.49 -3.12 0.06 0.00 -0.00 0.00 0.00 29.99 27.42 2b3w n HIS 10 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2b3w s VAL 11 N -0.39 2.72 0.00 3.57 -7.23 -1.26 -5.07 120.40 112.74 2b3w s VAL 11 Ca -0.05 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2b3w s VAL 11 Cb 0.00 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2b3w s VAL 11 CO 0.14 -0.20 0.00 1.15 -0.31 0.00 0.00 175.10 175.88 2b3w n MET 12 N -2.92 0.00 0.00 4.82 0.00 -1.26 -4.92 117.12 112.84 2b3w n MET 12 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 2b3w n MET 12 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 33.22 33.55 2b3w n MET 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2b3w n GLN 13 N -0.29 0.00 -3.51 3.17 1.13 -1.26 -4.89 117.38 111.73 2b3w n GLN 13 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2b3w n GLN 13 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.23 2b3w n GLN 13 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2b3w s ASP 14 N -3.16 2.75 0.12 1.08 2.15 -1.26 -4.25 116.67 114.10 2b3w s ASP 14 Ca 0.00 -2.58 0.10 0.00 0.43 0.00 0.00 52.55 50.50 2b3w s ASP 14 Cb 0.00 -0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 42.00 2b3w s ASP 14 CO 0.00 -0.25 -0.22 0.28 -0.17 0.00 0.00 175.17 174.81 2b3w s THR 15 N 0.55 2.58 -0.38 1.71 -1.32 -1.26 -4.98 115.64 112.55 2b3w s THR 15 Ca 0.22 -1.61 -0.18 0.00 -1.21 0.00 0.00 61.69 58.91 2b3w s THR 15 Cb -0.15 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 2b3w s THR 15 CO -0.06 0.10 0.49 -0.63 -2.21 0.00 0.00 174.62 172.31 2b3w s ILE 16 N -1.10 5.03 -0.55 5.08 -1.09 -1.26 -0.39 121.20 126.92 2b3w s ILE 16 Ca 0.16 0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 2b3w s ILE 16 Cb -0.10 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2b3w s ILE 16 CO 0.08 -0.30 0.62 -0.63 -1.23 0.00 0.00 174.94 173.48 2b3w s ILE 17 N 2.33 4.94 -0.60 2.92 1.01 -0.02 -4.97 121.20 126.82 2b3w s ILE 17 Ca 0.17 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 2b3w s ILE 17 Cb -0.16 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 37.97 2b3w s ILE 17 CO 0.14 -0.95 1.03 0.20 0.00 0.00 0.00 174.94 175.36 2b3w s ASN 18 N 3.29 6.31 -0.15 3.58 0.01 -1.25 -1.93 114.94 124.80 2b3w s ASN 18 Ca 0.10 -0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 51.83 2b3w s ASN 18 Cb -0.24 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 2b3w s ASN 18 CO 0.07 -1.37 -0.05 0.72 -1.51 0.00 0.00 177.10 174.95 2b3w s PHE 19 N 4.34 2.99 -0.15 2.20 -0.12 -1.08 -4.89 117.98 121.27 2b3w s PHE 19 Ca 0.32 -0.33 -0.12 0.00 -0.05 0.00 0.00 56.93 56.74 2b3w s PHE 19 Cb -0.12 -1.92 0.04 0.00 -0.63 0.00 0.00 43.02 40.39 2b3w s PHE 19 CO 0.18 -0.04 0.38 -0.47 -0.05 0.00 0.00 175.22 175.22 2b3w s TYR 20 N 0.28 -0.45 0.14 3.49 5.04 -1.26 -3.00 117.35 121.59 2b3w s TYR 20 Ca -0.04 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2b3w s TYR 20 Cb -0.14 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.33 2b3w s TYR 20 CO 0.03 -0.23 0.00 0.43 -1.34 0.00 0.00 175.55 174.45 2b3w n SER 21 N 3.18 -4.64 0.05 4.32 7.64 -1.26 -4.76 113.62 118.16 2b3w n SER 21 Ca -0.15 0.48 0.15 0.00 1.01 0.00 0.00 58.87 60.36 2b3w n SER 21 Cb 0.57 -1.16 0.64 0.00 -1.01 0.00 0.00 64.21 63.25 2b3w n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2b3w h THR 22 N 1.06 0.83 0.00 0.44 1.35 -1.91 -3.39 112.91 111.30 2b3w h THR 22 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2b3w h THR 22 Cb 0.00 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2b3w h THR 22 CO 0.00 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.08 2b3w n SER 23 N -4.44 0.00 0.00 5.36 7.64 -1.26 -2.11 113.62 118.81 2b3w n SER 23 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2b3w n SER 23 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2b3w n SER 23 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2b3w n ASP 24 N 2.67 0.00 0.04 6.43 5.75 -1.26 -5.02 116.55 125.15 2b3w n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2b3w n ASP 24 Cb 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2b3w n ASP 24 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2b3w n ASP 25 N -1.58 -0.01 0.00 -1.12 5.75 -1.25 -4.88 116.55 113.47 2b3w n ASP 25 Ca 0.00 0.13 0.12 0.00 -0.01 0.00 0.00 54.79 55.03 2b3w n ASP 25 Cb 0.00 0.09 0.55 0.00 -1.03 0.00 0.00 41.12 40.73 2b3w n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b3w n TYR 26 N -2.81 0.00 1.63 2.11 9.36 -1.26 -3.27 117.16 122.92 2b3w n TYR 26 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2b3w n TYR 26 Cb 0.04 -0.49 0.78 0.00 -0.63 0.00 0.00 39.34 39.05 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3w n GLY 27 N 1.14 -0.86 0.39 2.98 0.00 -0.90 -3.79 105.19 104.15 2b3w n GLY 27 Ca 0.07 -0.16 0.20 0.00 0.00 0.00 0.00 46.02 46.13 2b3w n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b3w h ASP 28 N 0.00 0.00 0.26 1.61 3.58 -1.72 0.74 116.42 120.90 2b3w h ASP 28 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 28 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2b3w h ASP 28 CO 0.00 0.00 0.00 -0.26 -2.88 0.00 0.00 179.24 176.10 2b3w h PHE 29 N 0.00 0.00 -3.63 0.28 0.04 -1.90 -3.42 116.94 108.31 2b3w h PHE 29 Ca 0.19 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.46 2b3w h PHE 29 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2b3w h PHE 29 CO 0.00 0.00 0.39 -1.12 -0.60 0.00 0.00 178.31 176.98 2b3w s SER 30 N -5.05 7.49 0.34 2.17 0.01 0.25 -4.93 113.70 113.99 2b3w s SER 30 Ca -0.03 1.92 0.25 0.00 1.31 0.00 0.00 55.95 59.41 2b3w s SER 30 Cb 0.11 -2.60 1.21 0.00 0.21 0.00 0.00 66.02 64.94 2b3w s SER 30 CO 0.41 -0.03 1.77 0.78 0.41 0.00 0.00 173.24 176.57 2b3w h ASN 31 N 4.97 0.00 -0.27 2.44 2.35 -1.87 -2.24 115.58 120.96 2b3w h ASN 31 Ca -0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 2b3w h ASN 31 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 2b3w h ASN 31 CO 0.71 0.00 0.03 0.33 -1.65 0.00 0.00 177.43 176.84 2b3w n PHE 32 N -2.40 0.97 -0.94 1.19 7.35 -1.26 -4.46 117.46 117.91 2b3w n PHE 32 Ca 0.00 -0.40 -0.30 0.00 -0.76 0.00 0.00 57.45 56.00 2b3w n PHE 32 Cb 0.15 -0.31 0.24 0.00 0.35 0.00 0.00 39.48 39.91 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 -1.75 0.34 -0.47 3.13 0.00 -0.84 -4.91 121.76 117.25 2b3w s ALA 33 Ca 0.24 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2b3w s ALA 33 Cb 0.19 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.49 2b3w s ALA 33 CO 0.07 -3.63 0.35 0.00 0.00 0.00 0.00 175.76 172.55 2b3w s ALA 34 N -2.83 1.93 -0.04 0.00 0.00 -1.26 -4.75 121.76 114.81 2b3w s ALA 34 Ca 0.69 -2.71 0.07 0.00 0.00 0.00 0.00 51.96 50.01 2b3w s ALA 34 Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 2b3w s ALA 34 CO 0.58 -2.02 -0.24 -1.58 0.00 0.00 0.00 175.76 172.50 2b3w s TRP 35 N -0.15 2.26 -0.32 0.00 0.52 -1.26 -4.94 118.94 115.04 2b3w s TRP 35 Ca 0.29 -0.57 -0.29 0.00 0.02 0.00 0.00 56.10 55.55 2b3w s TRP 35 Cb -0.02 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2b3w s TRP 35 CO -0.16 -0.14 1.54 -2.14 0.02 0.00 0.00 176.95 176.07 2b3w s PRO 36 N -0.31 3.63 -0.27 4.98 0.02 -1.26 -1.30 135.00 140.48 2b3w s PRO 36 Ca 0.02 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.26 2b3w s PRO 36 Cb -0.12 -4.05 -0.01 0.00 0.02 0.00 0.00 34.50 30.35 2b3w s PRO 36 CO 0.02 -1.49 0.08 0.96 -0.33 0.00 0.00 177.00 176.23 2b3w s ILE 37 N 5.55 4.13 -0.85 2.83 -4.36 0.34 -4.91 121.20 123.94 2b3w s ILE 37 Ca 0.68 -0.45 -0.24 0.00 -0.26 0.00 0.00 60.65 60.37 2b3w s ILE 37 Cb -0.19 -3.04 0.05 0.00 1.25 0.00 0.00 42.46 40.53 2b3w s ILE 37 CO 0.31 0.20 1.29 -0.75 0.24 0.00 0.00 174.94 176.23 2b3w s LYS 38 N 1.56 3.35 -0.15 0.37 2.47 -1.26 -0.81 119.74 125.28 2b3w s LYS 38 Ca 0.05 -0.73 0.02 0.00 -1.56 0.00 0.00 55.97 53.74 2b3w s LYS 38 Cb -0.16 -4.66 0.01 0.00 -1.46 0.00 0.00 37.83 31.55 2b3w s LYS 38 CO 0.03 -2.11 -0.19 0.08 0.16 0.00 0.00 175.35 173.32 2b3w s VAL 39 N 5.06 2.29 -1.63 4.02 1.01 0.79 -4.62 120.40 127.31 2b3w s VAL 39 Ca 0.37 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2b3w s VAL 39 Cb -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2b3w s VAL 39 CO 0.04 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 175.00 2b3w n ASP 40 N 4.06 -5.33 0.00 3.32 2.03 -1.26 -1.04 116.55 118.34 2b3w n ASP 40 Ca -0.20 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2b3w n ASP 40 Cb 0.52 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 41 N -0.97 0.66 3.35 0.27 0.00 -1.26 -5.02 105.19 102.21 2b3w n GLY 41 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.12 2.52 -0.72 1.61 1.02 -0.20 -5.07 119.74 118.78 2b3w s LYS 42 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.94 2b3w s LYS 42 Cb 0.00 -2.24 0.08 0.00 -0.52 0.00 0.00 37.83 35.14 2b3w s LYS 42 CO 0.00 0.48 1.02 0.99 -0.92 0.00 0.00 175.35 176.92 2b3w s THR 43 N -0.38 4.35 -0.16 2.17 2.01 -1.26 -0.15 115.64 122.21 2b3w s THR 43 Ca 0.03 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 2b3w s THR 43 Cb -0.12 -4.72 -0.03 0.00 0.01 0.00 0.00 72.50 67.63 2b3w s THR 43 CO 0.02 -1.50 0.56 0.26 -0.69 0.00 0.00 174.62 173.27 2b3w s TRP 44 N 3.94 3.43 -0.98 4.92 0.52 0.01 -4.87 118.94 125.91 2b3w s TRP 44 Ca 0.25 0.90 -0.08 0.00 0.02 0.00 0.00 56.10 57.20 2b3w s TRP 44 Cb -0.14 -2.69 -0.06 0.00 -1.15 0.00 0.00 33.47 29.43 2b3w s TRP 44 CO 0.06 -0.03 2.17 -2.30 0.02 0.00 0.00 176.95 176.88 2b3w n PRO 45 N 4.45 2.19 0.00 4.98 -0.02 -1.26 -0.50 135.00 144.84 2b3w n PRO 45 Ca -0.04 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.86 2b3w n PRO 45 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2b3w n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2b3w n THR 46 N 4.34 0.00 -0.26 3.45 5.66 -0.42 -4.46 114.28 122.59 2b3w n THR 46 Ca 0.48 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.53 2b3w n THR 46 Cb 0.17 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.13 2b3w n THR 46 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2b3w h SER 47 N 0.00 0.37 -0.91 1.09 4.64 -1.83 -1.65 113.55 115.27 2b3w h SER 47 Ca 0.00 0.09 0.25 0.00 -0.47 0.00 0.00 61.79 61.66 2b3w h SER 47 Cb 0.00 0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 61.98 2b3w h SER 47 CO 0.00 0.17 0.16 -0.08 -0.87 0.00 0.00 176.83 176.20 2b3w h GLU 48 N 0.52 0.11 -0.04 4.77 4.57 -1.85 0.67 114.58 123.34 2b3w h GLU 48 Ca 0.41 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2b3w h GLU 48 Cb 0.57 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2b3w h GLU 48 CO -0.36 0.07 -0.34 0.45 -1.18 0.00 0.00 179.01 177.66 2b3w h HIS 49 N 0.12 0.41 -0.54 0.92 3.86 -1.52 -2.20 115.15 116.20 2b3w h HIS 49 Ca 0.57 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2b3w h HIS 49 Cb 1.18 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.56 2b3w h HIS 49 CO -0.35 0.96 0.31 -0.92 0.86 0.00 0.00 177.93 178.80 2b3w h TYR 50 N -0.25 0.70 0.76 2.45 3.20 -1.24 -1.86 116.97 120.72 2b3w h TYR 50 Ca -0.03 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2b3w h TYR 50 Cb 1.02 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.07 2b3w h TYR 50 CO 0.15 0.48 -0.37 0.35 -1.64 0.00 0.00 178.16 177.13 2b3w h PHE 51 N 0.74 -0.95 -0.22 -3.82 3.57 0.43 -2.12 116.94 114.58 2b3w h PHE 51 Ca 0.19 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 2b3w h PHE 51 Cb -0.01 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2b3w h PHE 51 CO 0.00 -0.59 -0.27 1.96 -2.23 0.00 0.00 178.31 177.19 2b3w h GLN 52 N -1.02 0.42 -0.04 1.11 1.08 -1.30 -0.17 115.11 115.18 2b3w h GLN 52 Ca -0.10 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.87 2b3w h GLN 52 Cb 0.78 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2b3w h GLN 52 CO 0.17 0.65 -0.28 0.00 -0.95 0.00 0.00 178.83 178.43 2b3w h ALA 53 N 1.35 1.47 0.00 3.87 0.00 -1.29 -1.59 119.26 123.07 2b3w h ALA 53 Ca 0.05 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2b3w h ALA 53 Cb 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2b3w h ALA 53 CO 0.05 0.39 -1.16 0.37 0.00 0.00 0.00 179.25 178.90 2b3w h GLN 54 N 0.07 0.00 -0.11 0.00 5.75 -0.86 -3.36 115.11 116.60 2b3w h GLN 54 Ca 0.01 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2b3w h GLN 54 Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 2b3w h GLN 54 CO 0.04 0.48 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.44 2b3w h LYS 55 N 0.00 0.22 -6.26 1.69 3.64 -0.45 -3.43 116.57 111.98 2b3w h LYS 55 Ca -0.12 -0.09 -0.57 0.00 -1.27 0.00 0.00 60.65 58.61 2b3w h LYS 55 Cb 1.63 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 2b3w h LYS 55 CO 0.07 0.54 -0.09 -0.06 -2.27 0.00 0.00 179.45 177.64 2b3w s PHE 56 N -4.66 3.67 -2.33 1.91 0.40 -0.65 -3.80 117.98 112.52 2b3w s PHE 56 Ca -0.15 1.10 0.21 0.00 -0.60 0.00 0.00 56.93 57.49 2b3w s PHE 56 Cb 0.05 -2.39 0.29 0.00 0.51 0.00 0.00 43.02 41.48 2b3w s PHE 56 CO 0.71 0.50 1.26 1.47 0.70 0.00 0.00 175.22 179.86 2b3w n LEU 57 N 1.14 3.05 -4.68 -0.37 -0.00 -1.21 -4.84 117.00 110.10 2b3w n LEU 57 Ca -0.08 -1.31 -0.42 0.00 -0.00 0.00 0.00 56.01 54.20 2b3w n LEU 57 Cb 0.52 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.78 2b3w n LEU 57 CO 0.42 0.61 1.08 -0.62 -0.00 0.00 0.00 177.39 178.88 2b3w s ASP 58 N -1.50 6.92 0.05 1.45 -1.08 -1.26 -4.93 116.67 116.31 2b3w s ASP 58 Ca 0.30 1.89 -0.25 0.00 -0.52 0.00 0.00 52.55 53.97 2b3w s ASP 58 Cb 0.19 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.93 2b3w s ASP 58 CO 0.27 -0.71 1.54 -0.08 0.52 0.00 0.00 175.17 176.71 2b3w h GLU 59 N 8.02 -0.11 -0.20 4.34 4.81 -1.99 -0.50 114.58 128.96 2b3w h GLU 59 Ca -0.33 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 2b3w h GLU 59 Cb 1.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2b3w h GLU 59 CO 0.92 0.09 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.73 2b3w h LYS 60 N -0.29 0.42 -0.22 1.92 3.64 -2.00 -2.44 116.57 117.60 2b3w h LYS 60 Ca -0.01 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.07 2b3w h LYS 60 Cb 0.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2b3w h LYS 60 CO 0.02 0.72 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.66 2b3w h TYR 61 N 0.36 0.52 -0.50 1.91 3.20 -1.92 -1.26 116.97 119.28 2b3w h TYR 61 Ca 0.04 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2b3w h TYR 61 Cb 0.78 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2b3w h TYR 61 CO 0.02 0.74 0.21 0.00 -1.64 0.00 0.00 178.16 177.49 2b3w h ARG 62 N 0.39 0.71 -0.41 1.82 3.08 -0.69 0.12 114.38 119.40 2b3w h ARG 62 Ca 0.05 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2b3w h ARG 62 Cb 0.77 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2b3w h ARG 62 CO 0.06 0.58 0.24 1.49 -1.07 0.00 0.00 179.97 181.27 2b3w h GLU 63 N 0.71 0.56 -0.45 0.04 4.57 -0.87 -2.36 114.58 116.77 2b3w h GLU 63 Ca 0.17 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2b3w h GLU 63 Cb 0.13 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2b3w h GLU 63 CO -0.02 0.43 0.18 0.93 -1.18 0.00 0.00 179.01 179.36 2b3w h GLU 64 N 0.53 0.65 -0.82 1.92 3.07 -0.35 -0.47 114.58 119.11 2b3w h GLU 64 Ca 0.14 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2b3w h GLU 64 Cb 0.03 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.78 2b3w h GLU 64 CO -0.03 0.53 0.38 0.82 -1.40 0.00 0.00 179.01 179.32 2b3w h ILE 65 N 0.64 1.26 -0.01 3.13 1.08 -0.34 -1.67 117.51 121.60 2b3w h ILE 65 Ca 0.16 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2b3w h ILE 65 Cb 0.13 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2b3w h ILE 65 CO -0.02 0.31 -0.02 -2.11 -0.69 0.00 0.00 178.15 175.63 2b3w n ARG 66 N -4.32 1.60 0.04 2.37 1.85 -0.93 -3.70 116.66 113.56 2b3w n ARG 66 Ca 0.08 -0.93 -0.08 0.00 -1.00 0.00 0.00 57.85 55.92 2b3w n ARG 66 Cb 0.15 -1.48 -0.13 0.00 -1.05 0.00 0.00 32.46 29.95 2b3w n ARG 66 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2b3w h ARG 67 N 2.26 0.01 -5.91 2.89 9.65 -0.12 -3.45 114.38 119.71 2b3w h ARG 67 Ca 0.00 -0.02 -0.58 0.00 -1.10 0.00 0.00 59.98 58.28 2b3w h ARG 67 Cb 0.50 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.03 2b3w h ARG 67 CO 0.00 0.86 -0.10 0.14 2.80 0.00 0.00 179.97 183.67 2b3w s VAL 68 N -2.67 5.06 0.01 0.20 -7.23 -1.08 -4.96 120.40 109.72 2b3w s VAL 68 Ca -0.01 1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 61.08 2b3w s VAL 68 Cb 0.09 -3.84 -0.33 0.00 0.56 0.00 0.00 36.38 32.86 2b3w s VAL 68 CO 0.82 0.40 0.92 0.28 -0.31 0.00 0.00 175.10 177.22 2b3w h SER 69 N 5.99 0.70 -3.16 4.85 0.02 -1.90 -3.45 113.55 116.61 2b3w h SER 69 Ca -0.44 -0.83 -0.56 0.00 -0.84 0.00 0.00 61.79 59.12 2b3w h SER 69 Cb 1.19 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2b3w h SER 69 CO 0.71 1.67 0.65 -0.44 -1.14 0.00 0.00 176.83 178.28 2b3w s SER 70 N -7.41 7.14 0.45 3.07 0.01 -1.26 -4.92 113.70 110.78 2b3w s SER 70 Ca -0.10 1.65 0.19 0.00 1.31 0.00 0.00 55.95 59.00 2b3w s SER 70 Cb 0.05 -2.56 1.08 0.00 0.21 0.00 0.00 66.02 64.80 2b3w s SER 70 CO 0.91 -0.53 1.97 1.55 0.41 0.00 0.00 173.24 177.54 2b3w h PRO 71 N 7.31 0.00 -0.92 12.44 0.13 -1.88 -2.83 132.00 146.26 2b3w h PRO 71 Ca -0.31 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2b3w h PRO 71 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2b3w h PRO 71 CO 0.88 0.22 0.60 0.52 -0.23 0.00 0.00 178.00 179.98 2b3w h MET 72 N 0.00 1.22 -0.38 0.86 2.86 -1.99 -1.03 114.93 116.47 2b3w h MET 72 Ca -0.00 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 2b3w h MET 72 Cb 0.44 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2b3w h MET 72 CO 0.03 0.82 -0.02 0.28 1.06 0.00 0.00 176.91 179.07 2b3w h VAL 73 N 1.25 1.26 -0.29 -2.22 2.07 -1.91 -0.96 116.25 115.45 2b3w h VAL 73 Ca 0.34 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2b3w h VAL 73 Cb -0.12 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2b3w h VAL 73 CO -0.07 0.35 0.17 0.00 0.02 0.00 0.00 177.57 178.04 2b3w h ALA 74 N 0.86 0.36 -0.21 1.67 0.00 -1.41 -0.48 119.26 120.06 2b3w h ALA 74 Ca 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2b3w h ALA 74 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2b3w h ALA 74 CO 0.02 -0.21 0.12 0.00 0.00 0.00 0.00 179.25 179.19 2b3w h ALA 75 N 1.13 0.26 -0.13 0.00 0.00 -1.13 0.38 119.26 119.78 2b3w h ALA 75 Ca 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2b3w h ALA 75 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2b3w h ALA 75 CO -0.06 -0.22 0.01 -0.09 0.00 0.00 0.00 179.25 178.89 2b3w h ARG 76 N 0.24 0.05 0.00 0.00 1.12 -0.80 -1.20 114.38 113.80 2b3w h ARG 76 Ca 0.07 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2b3w h ARG 76 Cb 0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2b3w h ARG 76 CO -0.01 0.04 -0.10 0.00 -3.11 0.00 0.00 179.97 176.79 2b3w n MET 77 N -5.11 0.09 0.13 0.20 0.00 -0.22 -2.96 117.12 109.25 2b3w n MET 77 Ca -0.04 0.06 0.13 0.00 0.00 0.00 0.00 57.70 57.84 2b3w n MET 77 Cb 0.07 -1.59 0.30 0.00 0.00 0.00 0.00 33.22 32.00 2b3w n MET 77 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2b3w h GLY 78 N 4.85 0.00 2.00 3.17 0.00 0.90 -2.99 103.07 110.99 2b3w h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3w h GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2b3w n ARG 79 N -2.51 0.02 -2.37 4.80 1.74 -0.60 -4.88 116.66 112.87 2b3w n ARG 79 Ca 0.05 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 2b3w n ARG 79 Cb 0.47 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 2b3w n ARG 79 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2b3w s ASP 80 N -3.10 7.09 -0.11 0.55 2.15 -1.13 -4.95 116.67 117.17 2b3w s ASP 80 Ca 0.14 2.39 0.16 0.00 0.43 0.00 0.00 52.55 55.67 2b3w s ASP 80 Cb 0.18 -2.63 0.25 0.00 -0.30 0.00 0.00 42.92 40.42 2b3w s ASP 80 CO 0.53 -0.28 1.13 0.54 -0.17 0.00 0.00 175.17 176.92 2b3w n ARG 81 N 1.02 1.10 -0.20 4.34 1.74 -1.26 -4.45 116.66 118.95 2b3w n ARG 81 Ca -0.01 -2.37 0.12 0.00 -0.77 0.00 0.00 57.85 54.82 2b3w n ARG 81 Cb 0.44 -1.35 0.25 0.00 -1.02 0.00 0.00 32.46 30.77 2b3w n ARG 81 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2b3w n SER 82 N -1.22 3.24 -4.90 0.55 3.41 -1.26 -4.91 113.62 108.53 2b3w n SER 82 Ca 0.14 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 2b3w n SER 82 Cb 0.65 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2b3w s LYS 83 N -1.48 3.20 -0.32 4.33 -0.14 -1.26 -5.04 119.74 119.02 2b3w s LYS 83 Ca 0.39 -0.87 -0.28 0.00 -1.36 0.00 0.00 55.97 53.85 2b3w s LYS 83 Cb 0.22 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2b3w s LYS 83 CO 0.31 0.43 2.06 -2.14 -0.76 0.00 0.00 175.35 175.24 2b3w s PRO 84 N -3.81 3.05 0.11 -1.68 0.02 -1.26 -4.98 135.00 126.45 2b3w s PRO 84 Ca 0.33 1.62 -0.01 0.00 0.02 0.00 0.00 61.00 62.97 2b3w s PRO 84 Cb -0.09 -4.33 -0.04 0.00 0.02 0.00 0.00 34.50 30.06 2b3w s PRO 84 CO 0.27 -2.20 0.28 -0.51 -0.33 0.00 0.00 177.00 174.51 2b3w s LEU 85 N 8.29 4.32 -0.05 -5.54 1.43 -1.26 -3.29 118.68 122.57 2b3w s LEU 85 Ca 0.90 0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 2b3w s LEU 85 Cb -0.26 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 2b3w s LEU 85 CO 0.32 0.10 0.27 0.00 0.23 0.00 0.00 176.35 177.27 2b3w s ARG 86 N -2.78 3.66 0.21 1.70 1.70 -1.25 -4.91 118.95 117.29 2b3w s ARG 86 Ca 0.37 0.11 0.11 0.00 -0.47 0.00 0.00 55.73 55.84 2b3w s ARG 86 Cb -0.12 -3.19 0.04 0.00 -0.57 0.00 0.00 34.95 31.11 2b3w s ARG 86 CO 0.28 0.73 1.42 -0.22 -1.08 0.00 0.00 175.30 176.42 2b3w h LYS 87 N 4.75 0.00 -0.60 3.89 1.63 -1.99 -2.98 116.57 121.27 2b3w h LYS 87 Ca -0.53 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2b3w h LYS 87 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2b3w h LYS 87 CO 0.60 0.75 0.00 0.27 -3.45 0.00 0.00 179.45 177.62 2b3w n ASN 88 N -3.40 1.31 -0.17 4.20 6.94 -1.26 -3.76 115.26 119.12 2b3w n ASN 88 Ca 0.00 -2.09 -0.02 0.00 -0.02 0.00 0.00 54.58 52.45 2b3w n ASN 88 Cb 0.79 -0.34 0.20 0.00 -2.36 0.00 0.00 39.78 38.07 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -1.03 0.00 0.00 177.26 175.98 2b3w h TRP 89 N 0.68 0.91 -0.10 -2.53 -0.00 -1.89 -2.05 115.95 110.98 2b3w h TRP 89 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 2b3w h TRP 89 Cb 0.50 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 2b3w h TRP 89 CO 0.14 0.69 -0.24 1.49 -0.00 0.00 0.00 178.44 180.52 2b3w h GLU 90 N 0.90 0.18 -0.09 2.65 4.57 -1.84 0.20 114.58 121.15 2b3w h GLU 90 Ca 0.22 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2b3w h GLU 90 Cb 0.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2b3w h GLU 90 CO -0.02 0.41 -0.20 0.77 -1.18 0.00 0.00 179.01 178.79 2b3w h SER 91 N 0.16 0.33 0.03 1.04 0.02 -1.66 -3.25 113.55 110.23 2b3w h SER 91 Ca 0.03 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2b3w h SER 91 Cb 0.51 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2b3w h SER 91 CO 0.04 0.84 -0.08 1.33 -1.14 0.00 0.00 176.83 177.81 2b3w n VAL 92 N -4.54 0.00 -0.13 2.27 0.24 -0.90 -4.38 118.33 110.90 2b3w n VAL 92 Ca -0.07 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2b3w n VAL 92 Cb 0.41 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2b3w n VAL 92 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2b3w h LYS 93 N 2.53 -0.18 -0.54 7.34 3.64 -0.63 0.33 116.57 129.06 2b3w h LYS 93 Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2b3w h LYS 93 Cb 0.60 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2b3w h LYS 93 CO 0.00 -0.12 -0.06 0.93 -2.27 0.00 0.00 179.45 177.93 2b3w h GLU 94 N -0.19 1.00 -0.02 1.90 5.08 -1.80 -2.77 114.58 117.78 2b3w h GLU 94 Ca 0.20 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2b3w h GLU 94 Cb 0.50 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2b3w h GLU 94 CO -0.54 1.03 0.01 0.37 -1.00 0.00 0.00 179.01 178.88 2b3w h GLN 95 N 0.88 0.03 -0.19 2.33 5.75 -1.44 -0.92 115.11 121.56 2b3w h GLN 95 Ca 0.15 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2b3w h GLN 95 Cb 0.62 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2b3w h GLN 95 CO 0.04 0.13 0.05 0.28 -2.65 0.00 0.00 178.83 176.67 2b3w h VAL 96 N -0.07 0.93 0.36 2.39 2.07 -0.41 0.25 116.25 121.76 2b3w h VAL 96 Ca 0.01 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2b3w h VAL 96 Cb 0.11 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2b3w h VAL 96 CO -0.00 0.02 -0.19 0.24 0.02 0.00 0.00 177.57 177.66 2b3w h MET 97 N 0.13 -0.49 0.00 1.57 2.86 -1.39 -1.23 114.93 116.38 2b3w h MET 97 Ca 0.08 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2b3w h MET 97 Cb 0.07 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2b3w h MET 97 CO -0.10 -0.32 -0.48 -0.09 1.06 0.00 0.00 176.91 176.97 2b3w h ARG 98 N -0.51 0.00 -0.27 1.72 2.43 -1.01 -0.81 114.38 115.94 2b3w h ARG 98 Ca -0.04 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 2b3w h ARG 98 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2b3w h ARG 98 CO 0.06 0.48 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.43 2b3w h LYS 99 N 0.00 0.71 -0.39 0.20 1.63 -0.39 0.19 116.57 118.52 2b3w h LYS 99 Ca -0.00 -0.41 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 2b3w h LYS 99 Cb 0.87 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2b3w h LYS 99 CO 0.06 1.03 0.03 0.00 -3.45 0.00 0.00 179.45 177.12 2b3w h ALA 100 N 0.67 0.52 -0.63 5.00 0.00 -0.98 -0.63 119.26 123.21 2b3w h ALA 100 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2b3w h ALA 100 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2b3w h ALA 100 CO 0.08 0.26 0.30 -0.07 0.00 0.00 0.00 179.25 179.83 2b3w h LEU 101 N 0.50 0.83 -0.17 0.00 3.38 -1.13 -2.36 115.31 116.36 2b3w h LEU 101 Ca 0.11 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2b3w h LEU 101 Cb 0.42 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2b3w h LEU 101 CO 0.01 0.73 -0.05 -0.09 0.09 0.00 0.00 178.44 179.13 2b3w h ARG 102 N 0.87 -0.02 -0.81 1.13 2.43 -0.39 -2.42 114.38 115.17 2b3w h ARG 102 Ca 0.22 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 2b3w h ARG 102 Cb 0.12 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2b3w h ARG 102 CO -0.03 -0.01 0.53 0.00 -1.51 0.00 0.00 179.97 178.95 2b3w h ALA 103 N 1.15 1.68 0.34 2.80 0.00 -0.81 0.37 119.26 124.79 2b3w h ALA 103 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2b3w h ALA 103 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2b3w h ALA 103 CO -0.19 0.18 -0.16 -0.22 0.00 0.00 0.00 179.25 178.85 2b3w h LYS 104 N 0.82 -0.44 0.00 0.00 3.64 -0.99 -1.57 116.57 118.03 2b3w h LYS 104 Ca 0.36 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 2b3w h LYS 104 Cb 0.34 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2b3w h LYS 104 CO -0.14 -0.11 -0.49 0.74 -2.27 0.00 0.00 179.45 177.18 2b3w h PHE 105 N -0.86 0.00 -0.30 1.91 0.04 -1.19 -0.72 116.94 115.81 2b3w h PHE 105 Ca -0.05 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 2b3w h PHE 105 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2b3w h PHE 105 CO 0.03 0.49 -0.08 1.49 -0.60 0.00 0.00 178.31 179.64 2b3w h GLU 106 N 0.00 0.59 0.03 1.51 4.81 -0.29 -3.32 114.58 117.91 2b3w h GLU 106 Ca -0.00 -0.23 -0.26 0.00 -0.13 0.00 0.00 59.36 58.74 2b3w h GLU 106 Cb 0.89 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2b3w h GLU 106 CO 0.06 0.78 -1.38 0.37 -0.73 0.00 0.00 179.01 178.12 2b3w h GLN 107 N 0.35 0.05 -4.69 1.92 4.15 -1.13 -3.42 115.11 112.35 2b3w h GLN 107 Ca 0.08 -0.09 -0.69 0.00 0.77 0.00 0.00 58.65 58.71 2b3w h GLN 107 Cb 0.57 0.03 -0.28 0.00 0.21 0.00 0.00 27.48 28.01 2b3w h GLN 107 CO 0.03 0.84 -0.60 -1.01 -1.93 0.00 0.00 178.83 176.16 2b3w s HIS 108 N -2.65 3.23 0.33 3.99 3.76 -0.29 -4.96 115.29 118.71 2b3w s HIS 108 Ca -0.03 -1.29 0.21 0.00 -0.15 0.00 0.00 55.06 53.80 2b3w s HIS 108 Cb 0.09 -2.29 1.05 0.00 1.11 0.00 0.00 32.58 32.54 2b3w s HIS 108 CO 0.83 -0.69 1.92 0.00 -0.85 0.00 0.00 174.74 175.94 2b3w h ALA 109 N 8.25 1.25 -0.11 -1.40 0.00 -1.83 -2.38 119.26 123.04 2b3w h ALA 109 Ca -0.25 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2b3w h ALA 109 Cb 1.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2b3w h ALA 109 CO 0.61 0.30 0.03 0.93 0.00 0.00 0.00 179.25 181.12 2b3w h GLU 110 N 0.00 0.07 -0.11 0.00 3.07 -1.92 0.19 114.58 115.88 2b3w h GLU 110 Ca -0.00 -0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 2b3w h GLU 110 Cb 0.56 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2b3w h GLU 110 CO 0.03 0.05 -0.71 -0.07 -1.40 0.00 0.00 179.01 176.91 2b3w h LEU 111 N 0.07 0.60 -0.74 1.33 3.38 -1.83 -1.57 115.31 116.56 2b3w h LEU 111 Ca 0.05 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2b3w h LEU 111 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2b3w h LEU 111 CO -0.06 1.13 0.06 -0.09 0.09 0.00 0.00 178.44 179.57 2b3w h ARG 112 N 0.36 1.03 -0.45 1.13 2.43 -1.26 0.26 114.38 117.88 2b3w h ARG 112 Ca -0.03 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2b3w h ARG 112 Cb 1.29 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2b3w h ARG 112 CO 0.13 0.97 0.25 0.00 -1.51 0.00 0.00 179.97 179.80 2b3w h ALA 113 N 1.10 0.57 -0.27 2.80 0.00 -0.41 0.06 119.26 123.11 2b3w h ALA 113 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2b3w h ALA 113 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b3w h ALA 113 CO 0.02 0.10 0.17 1.25 0.00 0.00 0.00 179.25 180.78 2b3w h LEU 114 N 0.59 0.33 0.02 0.00 5.85 -0.89 -0.69 115.31 120.52 2b3w h LEU 114 Ca 0.16 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2b3w h LEU 114 Cb 0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2b3w h LEU 114 CO -0.03 0.28 -0.03 0.25 -0.34 0.00 0.00 178.44 178.57 2b3w h LEU 115 N 0.35 -0.09 -0.13 2.25 5.85 -0.25 -2.19 115.31 121.10 2b3w h LEU 115 Ca 0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2b3w h LEU 115 Cb 0.01 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2b3w h LEU 115 CO -0.02 -0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.21 2b3w n LEU 116 N -5.14 0.20 0.17 2.25 4.32 -0.01 -2.35 117.00 116.43 2b3w n LEU 116 Ca -0.07 0.54 0.10 0.00 -0.02 0.00 0.00 56.01 56.56 2b3w n LEU 116 Cb 0.07 -0.50 0.09 0.00 -1.62 0.00 0.00 43.42 41.46 2b3w n LEU 116 CO 0.32 -0.24 0.50 0.00 -1.22 0.00 0.00 177.39 176.75 2b3w h ALA 117 N 2.59 0.80 0.00 -1.18 0.00 -0.48 -3.25 119.26 117.74 2b3w h ALA 117 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 117 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2b3w h ALA 117 CO 0.00 0.16 -0.41 1.79 0.00 0.00 0.00 179.25 180.79 2b3w h THR 118 N 0.00 0.23 -3.93 0.00 1.35 -1.23 -3.37 112.91 105.96 2b3w h THR 118 Ca -0.01 -1.35 -0.54 0.00 -0.55 0.00 0.00 66.41 63.96 2b3w h THR 118 Cb 1.10 2.00 0.12 0.00 -1.73 0.00 0.00 68.15 69.64 2b3w h THR 118 CO 0.01 0.13 0.73 0.00 -0.25 0.00 0.00 175.52 176.15 2b3w n ALA 119 N -2.17 2.18 -1.41 6.62 0.00 -1.23 -0.23 120.51 124.28 2b3w n ALA 119 Ca 0.02 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 2b3w n ALA 119 Cb 0.60 -2.40 0.07 0.00 0.00 0.00 0.00 19.45 17.72 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 0.10 2.70 -1.32 0.00 -0.04 -1.26 -4.59 135.00 130.58 2b3w n PRO 120 Ca 0.03 -3.32 -0.30 0.00 -0.04 0.00 0.00 63.50 59.87 2b3w n PRO 120 Cb 0.40 -2.29 0.12 0.00 -0.04 0.00 0.00 33.50 31.70 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 -3.86 1.74 -0.20 0.55 0.00 0.68 -4.74 121.76 115.93 2b3w s ALA 121 Ca 0.63 -0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 2b3w s ALA 121 Cb 0.50 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2b3w s ALA 121 CO -0.06 -2.18 0.38 0.15 0.00 0.00 0.00 175.76 174.04 2b3w s LYS 122 N -5.01 4.17 -0.64 0.00 1.02 0.48 -4.94 119.74 114.80 2b3w s LYS 122 Ca 0.63 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.55 2b3w s LYS 122 Cb -0.17 -3.54 0.06 0.00 -0.52 0.00 0.00 37.83 33.67 2b3w s LYS 122 CO 0.56 -0.03 1.00 -0.51 -0.92 0.00 0.00 175.35 175.45 2b3w s LEU 123 N 1.28 4.16 -0.32 3.17 1.43 -1.26 -0.84 118.68 126.30 2b3w s LEU 123 Ca 0.18 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2b3w s LEU 123 Cb -0.15 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.61 2b3w s LEU 123 CO 0.08 -1.44 0.03 -0.69 0.23 0.00 0.00 176.35 174.55 2b3w s VAL 124 N 4.25 2.80 -0.18 -1.59 1.01 -0.81 -4.41 120.40 121.47 2b3w s VAL 124 Ca 0.26 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 2b3w s VAL 124 Cb -0.15 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2b3w s VAL 124 CO 0.13 -0.28 1.25 -0.70 0.00 0.00 0.00 175.10 175.50 2b3w s GLU 125 N 1.15 4.21 -1.24 2.72 2.12 -1.26 -2.63 118.70 123.77 2b3w s GLU 125 Ca -0.01 1.61 -0.13 0.00 0.36 0.00 0.00 54.97 56.80 2b3w s GLU 125 Cb -0.20 -3.76 0.16 0.00 0.26 0.00 0.00 34.13 30.59 2b3w s GLU 125 CO -0.03 -0.73 1.58 1.58 -0.54 0.00 0.00 175.26 177.11 2b3w n HIS 126 N 6.66 4.45 -3.26 5.30 -0.00 -1.16 -3.93 115.22 123.27 2b3w n HIS 126 Ca 0.14 -3.18 -0.44 0.00 -0.00 0.00 0.00 57.72 54.23 2b3w n HIS 126 Cb 0.45 -2.17 -0.07 0.00 -0.00 0.00 0.00 29.99 28.20 2b3w n HIS 126 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2b3w s THR 127 N 1.49 5.04 -1.15 3.57 2.01 -1.26 -4.81 115.64 120.53 2b3w s THR 127 Ca 0.43 -0.73 0.22 0.00 0.31 0.00 0.00 61.69 61.92 2b3w s THR 127 Cb 0.01 -4.21 -0.17 0.00 0.01 0.00 0.00 72.50 68.14 2b3w s THR 127 CO 0.01 -0.69 0.98 1.21 -0.69 0.00 0.00 174.62 175.44 2b3w n GLU 128 N 5.73 0.17 -3.18 4.92 2.13 -1.26 -0.68 120.64 128.46 2b3w n GLU 128 Ca -0.09 -0.14 -0.45 0.00 0.66 0.00 0.00 57.16 57.14 2b3w n GLU 128 Cb 0.45 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.62 2b3w n GLU 128 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2b3w s ASN 129 N -2.92 6.37 0.32 4.31 3.84 -1.26 -4.72 114.94 120.87 2b3w s ASN 129 Ca 0.10 -1.88 0.00 0.00 0.21 0.00 0.00 52.86 51.29 2b3w s ASN 129 Cb 0.16 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.59 2b3w s ASN 129 CO 0.81 -0.93 0.00 0.47 -2.79 0.00 0.00 177.10 174.66 2b3w n ASP 130 N 5.57 -4.35 -4.34 -4.21 8.00 -1.26 -4.72 116.55 111.24 2b3w n ASP 130 Ca -0.01 0.90 -0.46 0.00 0.71 0.00 0.00 54.79 55.93 2b3w n ASP 130 Cb 0.44 -2.42 -0.01 0.00 -0.02 0.00 0.00 41.12 39.11 2b3w n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b3w s ALA 131 N -4.29 4.35 -0.28 2.24 0.00 -1.26 -4.33 121.76 118.19 2b3w s ALA 131 Ca 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 51.96 48.40 2b3w s ALA 131 Cb 0.00 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.64 2b3w s ALA 131 CO 0.00 -2.27 0.09 -0.47 0.00 0.00 0.00 175.76 173.11 2b3w s TYR 132 N -0.37 1.14 -1.39 0.00 5.04 -1.26 -4.67 117.35 115.83 2b3w s TYR 132 Ca 0.24 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 2b3w s TYR 132 Cb -0.10 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.90 2b3w s TYR 132 CO -0.08 -0.80 0.00 0.91 -1.34 0.00 0.00 175.55 174.23 2b3w n TRP 133 N 5.01 0.00 -3.80 4.97 7.02 -1.25 -4.95 117.44 124.45 2b3w n TRP 133 Ca -0.05 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.33 2b3w n TRP 133 Cb 0.43 -2.65 -0.08 0.00 -2.42 0.00 0.00 31.31 26.59 2b3w n TRP 133 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2b3w s GLY 134 N -2.62 -0.04 -0.24 6.99 0.00 -1.00 -4.40 107.32 106.01 2b3w s GLY 134 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2b3w s GLY 134 CO 0.00 -0.39 1.67 1.22 0.00 0.00 0.00 173.10 175.60 2b3w n ASP 135 N 0.50 4.68 -1.69 1.64 9.92 -1.25 -0.82 116.55 129.52 2b3w n ASP 135 Ca -0.18 -2.84 -0.20 0.00 -0.53 0.00 0.00 54.79 51.04 2b3w n ASP 135 Cb 0.60 -0.83 -0.08 0.00 -0.64 0.00 0.00 41.12 40.17 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2b3w n GLY 136 N 0.08 1.60 5.00 0.44 0.00 -1.09 -0.74 105.19 110.48 2b3w n GLY 136 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.46 1.44 0.20 -0.02 0.00 0.14 -4.59 105.19 101.90 2b3w n GLY 137 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2b3w n GLY 137 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2b3w h HIS 138 N 0.00 0.16 0.00 1.61 -0.00 -1.87 -3.47 115.15 111.59 2b3w h HIS 138 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2b3w h HIS 138 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2b3w h HIS 138 CO 0.00 0.50 0.00 0.41 -0.00 0.00 0.00 177.93 178.84 2b3w n GLY 139 N -0.36 1.00 2.81 6.13 0.00 -0.23 -5.10 105.19 109.43 2b3w n GLY 139 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2b3w n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b3w s LYS 140 N 0.00 0.32 0.22 1.61 2.20 0.08 -5.04 119.74 119.14 2b3w s LYS 140 Ca 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2b3w s LYS 140 Cb 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2b3w s LYS 140 CO 0.00 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 2b3w n GLY 141 N 3.52 -1.26 2.53 5.54 0.00 -1.23 -4.48 105.19 109.81 2b3w n GLY 141 Ca 0.08 0.26 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.02 1.03 0.00 1.61 5.02 0.00 -4.90 118.16 117.90 2b3w n LYS 142 Ca 0.00 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 2b3w n LYS 142 Cb 0.00 0.19 0.03 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.98 0.00 0.27 4.39 4.05 -1.26 -2.38 115.26 119.36 2b3w n ASN 143 Ca -0.12 -0.08 0.17 0.00 0.45 0.00 0.00 54.58 55.00 2b3w n ASN 143 Cb 0.80 0.00 0.93 0.00 1.23 0.00 0.00 39.78 42.75 2b3w n ASN 143 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2b3w h ARG 144 N 0.00 0.00 0.06 1.20 3.08 -1.93 -0.69 114.38 116.11 2b3w h ARG 144 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2b3w h ARG 144 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2b3w h ARG 144 CO 0.00 0.00 -0.03 1.25 -1.07 0.00 0.00 179.97 180.12 2b3w h LEU 145 N 0.00 -0.07 -1.29 3.04 5.85 -1.75 0.28 115.31 121.37 2b3w h LEU 145 Ca 0.03 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2b3w h LEU 145 Cb 0.22 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2b3w h LEU 145 CO -0.00 0.04 -0.13 1.23 -0.34 0.00 0.00 178.44 179.25 2b3w h GLY 146 N -0.18 0.35 1.05 3.75 0.00 -1.38 -1.28 103.07 105.37 2b3w h GLY 146 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2b3w h GLY 146 CO 0.01 0.21 0.07 -1.82 0.00 0.00 0.00 176.54 175.02 2b3w h TYR 147 N 0.30 1.09 -0.76 5.60 3.20 -0.86 0.09 116.97 125.63 2b3w h TYR 147 Ca 0.06 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2b3w h TYR 147 Cb 0.41 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 2b3w h TYR 147 CO 0.01 0.94 0.37 -0.07 -1.64 0.00 0.00 178.16 177.77 2b3w h LEU 148 N 0.92 0.98 -1.07 2.82 3.38 0.07 -1.35 115.31 121.07 2b3w h LEU 148 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2b3w h LEU 148 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2b3w h LEU 148 CO 0.02 0.83 0.17 -0.07 0.09 0.00 0.00 178.44 179.47 2b3w h LEU 149 N 1.08 0.77 0.18 1.67 3.38 -0.74 0.25 115.31 121.90 2b3w h LEU 149 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2b3w h LEU 149 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2b3w h LEU 149 CO -0.03 0.73 -0.09 0.24 0.09 0.00 0.00 178.44 179.38 2b3w h MET 150 N 0.81 -0.23 -0.55 1.13 2.86 -0.17 0.29 114.93 119.07 2b3w h MET 150 Ca 0.18 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2b3w h MET 150 Cb 0.25 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2b3w h MET 150 CO -0.01 -0.09 0.21 1.49 1.06 0.00 0.00 176.91 179.58 2b3w h GLU 151 N -0.33 0.83 -0.33 1.72 4.81 -1.08 -1.51 114.58 118.70 2b3w h GLU 151 Ca -0.02 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2b3w h GLU 151 Cb 0.26 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2b3w h GLU 151 CO 0.04 0.73 0.19 1.25 -0.73 0.00 0.00 179.01 180.49 2b3w h LEU 152 N 0.76 0.41 -1.06 1.64 5.85 -0.39 -0.96 115.31 121.54 2b3w h LEU 152 Ca 0.18 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2b3w h LEU 152 Cb 0.21 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2b3w h LEU 152 CO -0.01 0.37 0.63 -0.09 -0.34 0.00 0.00 178.44 178.99 2b3w h ARG 153 N 0.42 1.20 -0.49 1.25 2.43 -0.20 0.22 114.38 119.22 2b3w h ARG 153 Ca 0.12 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2b3w h ARG 153 Cb 0.04 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 2b3w h ARG 153 CO -0.02 0.80 0.07 1.49 -1.51 0.00 0.00 179.97 180.80 2b3w h GLU 154 N 1.24 0.81 -0.76 0.20 4.57 -0.86 -0.15 114.58 119.62 2b3w h GLU 154 Ca 0.37 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2b3w h GLU 154 Cb -0.05 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 2b3w h GLU 154 CO -0.10 0.82 0.27 1.96 -1.18 0.00 0.00 179.01 180.78 2b3w h GLN 155 N 0.68 1.16 0.00 1.92 4.20 -0.48 -1.62 115.11 120.97 2b3w h GLN 155 Ca 0.15 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2b3w h GLN 155 Cb 0.41 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2b3w h GLN 155 CO 0.01 0.96 0.00 1.28 -0.67 0.00 0.00 178.83 180.41 2b3w n LEU 156 N -4.26 0.47 0.09 1.46 4.77 0.00 -2.40 117.00 117.13 2b3w n LEU 156 Ca 0.07 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2b3w n LEU 156 Cb 0.21 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2b3w n LEU 156 CO 0.41 -0.14 0.07 0.00 -1.33 0.00 0.00 177.39 176.40 2b3w h ALA 157 N 2.68 0.26 -0.89 -1.18 0.00 -0.17 -3.26 119.26 116.70 2b3w h ALA 157 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 54.91 54.15 2b3w h ALA 157 Cb 0.60 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2b3w h ALA 157 CO 0.00 0.98 0.58 0.82 0.00 0.00 0.00 179.25 181.63 2b3w h ILE 158 N 0.09 1.03 -0.38 0.00 5.03 -0.96 0.28 117.51 122.59 2b3w h ILE 158 Ca -0.09 -0.33 -0.04 0.00 -0.12 0.00 0.00 64.86 64.28 2b3w h ILE 158 Cb 1.79 -0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.55 2b3w h ILE 158 CO 0.17 0.18 0.05 -0.08 -0.68 0.00 0.00 178.15 177.79 2b3w h GLU 159 N 0.96 0.57 0.00 2.37 4.81 -1.60 -1.30 114.58 120.40 2b3w h GLU 159 Ca 0.39 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2b3w h GLU 159 Cb 0.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2b3w h GLU 159 CO -0.16 0.56 -0.34 0.87 -0.73 0.00 0.00 179.01 179.22 2b3w h LYS 160 N 0.56 0.00 0.00 1.92 1.57 -1.07 -2.31 116.57 117.24 2b3w h LYS 160 Ca 0.12 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2b3w h LYS 160 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2b3w h LYS 160 CO 0.00 0.34 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.92 2b3w h LEU 161 N 0.00 0.00 0.00 2.94 4.07 -0.06 -2.94 115.31 119.31 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 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2b3w h LEU 161 CO 0.04 0.23 0.00 -0.62 -1.08 0.00 0.00 178.44 177.02 2b3w n GLU 162 N -3.35 0.80 0.00 1.13 1.02 -0.83 -3.04 120.64 116.36 2b3w n GLU 162 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2b3w n GLU 162 Cb 0.46 -1.03 0.68 0.00 -0.02 0.00 0.00 31.44 31.53 2b3w n GLU 162 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2b3w n HIS 163 N -0.53 0.00 -3.30 -0.32 1.44 -1.11 -4.69 115.22 106.71 2b3w n HIS 163 Ca 0.01 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.33 2b3w n HIS 163 Cb 0.00 -0.29 -0.08 0.00 0.12 0.00 0.00 29.99 29.75 2b3w n HIS 163 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2b3w s HIS 164 N -2.57 3.31 0.00 -1.40 5.65 -1.17 -5.07 115.29 114.04 2b3w s HIS 164 Ca 0.25 0.62 0.00 0.00 0.25 0.00 0.00 55.06 56.18 2b3w s HIS 164 Cb 0.18 -2.64 0.00 0.00 -1.18 0.00 0.00 32.58 28.94 2b3w s HIS 164 CO 0.41 -0.17 0.00 0.72 -0.65 0.00 0.00 174.74 175.05 2b3w n HIS 165 N 5.09 -1.90 -2.83 3.88 -0.00 -1.26 -4.73 115.22 113.47 2b3w n HIS 165 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.55 2b3w n HIS 165 Cb 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.52 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 -0.75 -1.20 -3.21 4.41 8.25 -1.26 -5.02 115.22 116.45 2b3w n HIS 166 Ca 0.00 0.38 -0.00 0.00 -0.26 0.00 0.00 57.72 57.83 2b3w n HIS 166 Cb 0.00 -2.87 -0.03 0.00 1.12 0.00 0.00 29.99 28.22 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 -3.00 -1.49 0.00 4.41 4.02 -1.26 -5.32 115.29 112.65 2b3w s HIS 167 Ca 0.22 1.04 0.00 0.00 1.02 0.00 0.00 55.06 57.34 2b3w s HIS 167 Cb -0.10 0.24 0.00 0.00 -1.02 0.00 0.00 32.58 31.70 2b3w s HIS 167 CO 0.27 -0.97 0.00 1.58 1.02 0.00 0.00 174.74 176.64