#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbw s ARG 20 N 0.00 1.13 -0.33 -0.67 1.70 -1.26 -1.50 118.95 118.02 3mbw s ARG 20 Ca 0.00 -0.79 -0.07 0.00 -0.47 0.00 0.00 55.73 54.40 3mbw s ARG 20 Cb 0.00 -1.17 0.03 0.00 -0.57 0.00 0.00 34.95 33.24 3mbw s ARG 20 CO 0.00 0.30 0.11 -1.01 -1.08 0.00 0.00 175.30 173.61 3mbw s HIS 21 N -0.77 3.21 0.03 5.89 3.76 -0.39 -4.98 115.29 122.04 3mbw s HIS 21 Ca 0.04 -1.18 -0.29 0.00 -0.15 0.00 0.00 55.06 53.48 3mbw s HIS 21 Cb -0.08 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 3mbw s HIS 21 CO 0.01 -0.66 0.93 0.99 -0.85 0.00 0.00 174.74 175.16 3mbw s THR 22 N 1.46 4.77 -0.25 1.30 2.01 -1.26 -0.49 115.64 123.18 3mbw s THR 22 Ca 0.01 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.95 3mbw s THR 22 Cb -0.18 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.13 3mbw s THR 22 CO 0.03 0.23 0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 3mbw s VAL 23 N 0.61 0.74 -0.72 3.82 1.01 0.12 -4.94 120.40 121.05 3mbw s VAL 23 Ca 0.48 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 3mbw s VAL 23 Cb -0.21 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3mbw s VAL 23 CO 0.27 -0.44 1.04 -0.36 0.00 0.00 0.00 175.10 175.61 3mbw s PHE 24 N 1.72 2.68 -0.89 5.22 0.40 -1.26 0.12 117.98 125.96 3mbw s PHE 24 Ca 0.04 -0.62 -0.25 0.00 -0.60 0.00 0.00 56.93 55.51 3mbw s PHE 24 Cb -0.17 -4.34 0.02 0.00 0.51 0.00 0.00 43.02 39.04 3mbw s PHE 24 CO -0.17 -1.69 1.52 -0.46 0.70 0.00 0.00 175.22 175.12 3mbw s TRP 25 N 4.10 2.27 0.01 0.36 -0.11 -0.26 -4.75 118.94 120.57 3mbw s TRP 25 Ca 0.26 -0.26 -0.28 0.00 1.22 0.00 0.00 56.10 57.03 3mbw s TRP 25 Cb -0.14 -4.52 0.07 0.00 -1.50 0.00 0.00 33.47 27.38 3mbw s TRP 25 CO 0.07 -1.98 0.65 0.54 -4.62 0.00 0.00 176.95 171.62 3mbw s ASN 26 N 5.43 -0.63 0.56 5.86 2.20 -1.26 -3.68 114.94 123.42 3mbw s ASN 26 Ca 0.49 0.50 0.25 0.00 -0.94 0.00 0.00 52.86 53.15 3mbw s ASN 26 Cb -0.04 0.56 1.59 0.00 -2.00 0.00 0.00 41.25 41.36 3mbw s ASN 26 CO 0.01 -0.72 2.20 0.77 -2.94 0.00 0.00 177.10 176.42 3mbw h SER 27 N 2.70 0.00 0.70 3.54 4.64 -2.02 -1.44 113.55 121.67 3mbw h SER 27 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3mbw h SER 27 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3mbw h SER 27 CO 0.39 0.02 0.00 -1.20 -0.87 0.00 0.00 176.83 175.16 3mbw n SER 28 N -4.08 0.00 -4.65 4.97 7.64 -1.26 -4.68 113.62 111.56 3mbw n SER 28 Ca -0.03 0.47 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 3mbw n SER 28 Cb 0.10 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 3mbw n SER 28 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3mbw s ASN 29 N -2.97 7.00 0.40 6.43 3.84 -0.54 -4.92 114.94 124.17 3mbw s ASN 29 Ca 0.11 1.33 0.29 0.00 0.21 0.00 0.00 52.86 54.80 3mbw s ASN 29 Cb 0.14 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.51 3mbw s ASN 29 CO 0.38 -0.77 1.85 1.55 -2.79 0.00 0.00 177.10 177.32 3mbw h PRO 30 N 7.88 0.00 0.00 0.43 0.13 -1.88 -3.13 132.00 135.43 3mbw h PRO 30 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 3mbw h PRO 30 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3mbw h PRO 30 CO 1.00 0.00 -0.06 0.87 -0.23 0.00 0.00 178.00 179.58 3mbw h LYS 31 N 0.00 0.00 0.00 0.86 1.57 -1.95 -2.61 116.57 114.44 3mbw h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mbw h LYS 31 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3mbw h LYS 31 CO 0.00 0.06 -0.78 0.74 -0.57 0.00 0.00 179.45 178.90 3mbw h PHE 32 N 0.00 0.00 0.00 -1.35 0.04 -1.90 -3.35 116.94 110.38 3mbw h PHE 32 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3mbw h PHE 32 Cb 0.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 3mbw h PHE 32 CO 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 178.31 177.68 3mbw h ARG 33 N 0.00 0.00 -0.49 1.51 3.08 -1.62 -2.47 114.38 114.38 3mbw h ARG 33 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mbw h ARG 33 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3mbw h ARG 33 CO 0.00 0.03 0.00 0.09 -1.07 0.00 0.00 179.97 179.02 3mbw n ASN 34 N -3.57 3.21 -1.70 7.04 4.13 -1.26 -4.95 115.26 118.16 3mbw n ASN 34 Ca -0.03 -1.96 -0.18 0.00 1.68 0.00 0.00 54.58 54.09 3mbw n ASN 34 Cb 0.13 -0.32 -0.06 0.00 -1.54 0.00 0.00 39.78 37.98 3mbw n ASN 34 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3mbw n GLU 35 N 1.28 -1.49 -2.63 3.52 -0.58 -0.93 -4.89 120.64 114.93 3mbw n GLU 35 Ca 0.20 1.02 -0.12 0.00 -0.42 0.00 0.00 57.16 57.84 3mbw n GLU 35 Cb 0.54 -5.41 0.03 0.00 -0.57 0.00 0.00 31.44 26.02 3mbw n GLU 35 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3mbw n ASP 36 N -1.22 2.13 -4.64 1.62 5.68 -1.26 -4.96 116.55 113.89 3mbw n ASP 36 Ca -0.19 -2.85 -0.43 0.00 -0.50 0.00 0.00 54.79 50.82 3mbw n ASP 36 Cb 0.60 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 40.05 3mbw n ASP 36 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3mbw s TYR 37 N -3.27 2.73 -0.07 2.11 6.04 -1.26 -5.00 117.35 118.63 3mbw s TYR 37 Ca 0.31 0.91 0.02 0.00 0.04 0.00 0.00 57.07 58.35 3mbw s TYR 37 Cb 0.43 -3.72 0.02 0.00 -1.04 0.00 0.00 41.96 37.65 3mbw s TYR 37 CO -0.01 -1.78 -0.09 0.99 -1.54 0.00 0.00 175.55 173.12 3mbw s THR 38 N 4.01 0.95 -0.05 4.34 2.01 -1.26 -1.25 115.64 124.40 3mbw s THR 38 Ca 0.56 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3mbw s THR 38 Cb -0.19 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 3mbw s THR 38 CO 0.19 0.32 -0.21 0.27 -0.69 0.00 0.00 174.62 174.51 3mbw s ILE 39 N 0.88 2.48 -0.22 1.82 -4.36 0.41 -4.98 121.20 117.23 3mbw s ILE 39 Ca -0.11 -0.93 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 3mbw s ILE 39 Cb -0.15 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 3mbw s ILE 39 CO 0.01 0.58 0.01 -1.00 0.24 0.00 0.00 174.94 174.78 3mbw s HIS 40 N -0.50 3.03 0.29 1.37 3.76 -1.26 -0.85 115.29 121.13 3mbw s HIS 40 Ca 0.06 -0.55 0.09 0.00 -0.15 0.00 0.00 55.06 54.51 3mbw s HIS 40 Cb -0.11 -2.12 -0.06 0.00 1.11 0.00 0.00 32.58 31.40 3mbw s HIS 40 CO 0.01 -0.33 -0.12 0.14 -0.85 0.00 0.00 174.74 173.59 3mbw s VAL 41 N 1.24 2.02 0.23 -0.90 -7.23 0.58 -4.95 120.40 111.39 3mbw s VAL 41 Ca 0.04 -2.23 0.10 0.00 -1.81 0.00 0.00 61.98 58.07 3mbw s VAL 41 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3mbw s VAL 41 CO 0.01 -0.35 -0.08 0.00 -0.31 0.00 0.00 175.10 174.38 3mbw s GLN 42 N -3.63 2.08 0.55 4.82 0.00 -1.26 -0.20 119.66 122.03 3mbw s GLN 42 Ca 0.29 -1.41 -0.21 0.00 -0.00 0.00 0.00 55.36 54.03 3mbw s GLN 42 Cb 0.01 -2.09 -0.06 0.00 0.00 0.00 0.00 33.01 30.87 3mbw s GLN 42 CO 0.13 0.39 1.18 -0.11 0.00 0.00 0.00 175.29 176.88 3mbw n LEU 43 N -0.45 4.54 -0.68 2.60 -0.00 -1.26 -3.26 117.00 118.50 3mbw n LEU 43 Ca -0.08 0.93 -0.09 0.00 -0.00 0.00 0.00 56.01 56.77 3mbw n LEU 43 Cb 0.58 -1.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.47 3mbw n LEU 43 CO 0.38 -1.12 -0.08 0.59 -0.00 0.00 0.00 177.39 177.15 3mbw n ASN 44 N -0.73 -4.49 -4.94 1.96 4.13 0.15 -4.99 115.26 106.36 3mbw n ASN 44 Ca 0.11 0.22 -0.26 0.00 1.68 0.00 0.00 54.58 56.33 3mbw n ASN 44 Cb 0.45 -2.77 -0.03 0.00 -1.54 0.00 0.00 39.78 35.89 3mbw n ASN 44 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3mbw s ASP 45 N -2.66 6.35 -0.03 6.41 -0.00 -1.20 -4.60 116.67 120.95 3mbw s ASP 45 Ca 0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 52.55 52.78 3mbw s ASP 45 Cb 0.00 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 40.94 3mbw s ASP 45 CO 0.00 0.00 0.12 -0.31 -0.00 0.00 0.00 175.17 174.98 3mbw s TYR 46 N -1.81 3.41 -0.24 4.23 1.51 -0.56 0.80 117.35 124.69 3mbw s TYR 46 Ca 0.36 0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 56.70 3mbw s TYR 46 Cb -0.11 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3mbw s TYR 46 CO 0.29 0.61 -0.06 0.08 -1.11 0.00 0.00 175.55 175.35 3mbw s VAL 47 N -1.20 2.99 -0.48 0.71 1.01 -0.28 -1.26 120.40 121.89 3mbw s VAL 47 Ca 0.23 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 3mbw s VAL 47 Cb -0.12 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 33.90 3mbw s VAL 47 CO 0.14 0.29 0.40 -1.81 0.00 0.00 0.00 175.10 174.11 3mbw s ASP 48 N 1.37 6.03 -0.45 3.32 1.01 0.35 -1.66 116.67 126.64 3mbw s ASP 48 Ca 0.02 -1.54 -0.21 0.00 0.71 0.00 0.00 52.55 51.54 3mbw s ASP 48 Cb -0.16 -2.14 0.03 0.00 1.01 0.00 0.00 42.92 41.66 3mbw s ASP 48 CO -0.05 -0.69 0.64 -0.63 0.21 0.00 0.00 175.17 174.65 3mbw s ILE 49 N 1.56 4.83 -0.36 0.77 1.01 -0.76 0.14 121.20 128.40 3mbw s ILE 49 Ca 0.04 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.53 3mbw s ILE 49 Cb -0.26 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.00 3mbw s ILE 49 CO 0.04 -0.62 0.59 -0.63 0.00 0.00 0.00 174.94 174.32 3mbw s ILE 50 N 2.80 4.93 0.89 2.92 1.09 0.32 -1.58 121.20 132.57 3mbw s ILE 50 Ca 0.22 0.47 -0.11 0.00 -1.10 0.00 0.00 60.65 60.13 3mbw s ILE 50 Cb -0.15 -4.04 0.13 0.00 -1.06 0.00 0.00 42.46 37.34 3mbw s ILE 50 CO 0.18 -0.29 1.11 0.00 -0.10 0.00 0.00 174.94 175.84 3mbw s PRO 52 N -4.75 3.60 -0.00 0.00 0.02 -1.24 -4.63 135.00 128.00 3mbw s PRO 52 Ca 0.65 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 64.04 3mbw s PRO 52 Cb -0.21 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 31.73 3mbw s PRO 52 CO 0.58 -0.87 0.01 -1.58 -0.33 0.00 0.00 177.00 174.80 3mbw s HIS 53 N -1.22 0.01 0.23 6.54 2.46 -1.26 -4.46 115.29 117.58 3mbw s HIS 53 Ca 0.63 0.02 0.04 0.00 0.47 0.00 0.00 55.06 56.22 3mbw s HIS 53 Cb -0.43 -0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 31.93 3mbw s HIS 53 CO 0.54 -0.02 -0.01 0.71 -2.47 0.00 0.00 174.74 173.50 3mbw s TYR 54 N 0.19 1.56 -0.31 3.88 2.02 0.54 -5.01 117.35 120.22 3mbw s TYR 54 Ca -0.02 -0.90 0.06 0.00 -0.37 0.00 0.00 57.07 55.84 3mbw s TYR 54 Cb -0.02 -0.90 0.24 0.00 -0.40 0.00 0.00 41.96 40.88 3mbw s TYR 54 CO -0.01 -0.02 1.20 -0.85 -1.57 0.00 0.00 175.55 174.30 3mbw n GLU 55 N -0.41 0.77 0.00 -0.62 0.00 -1.26 -4.52 120.64 114.60 3mbw n GLU 55 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 57.16 55.97 3mbw n GLU 55 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 31.44 32.14 3mbw n GLU 55 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 3mbw n VAL 59 N -0.68 0.00 -2.13 3.84 3.14 -1.26 -5.20 118.33 116.03 3mbw n VAL 59 Ca -0.13 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 3mbw n VAL 59 Cb 0.75 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.50 3mbw n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mbw s ALA 60 N -1.93 3.61 0.65 1.55 0.00 -1.26 -4.92 121.76 119.46 3mbw s ALA 60 Ca 0.00 1.01 0.32 0.00 0.00 0.00 0.00 51.96 53.29 3mbw s ALA 60 Cb 0.00 -3.61 1.75 0.00 0.00 0.00 0.00 23.12 21.25 3mbw s ALA 60 CO 0.00 -0.92 2.01 -0.44 0.00 0.00 0.00 175.76 176.41 3mbw h ASP 61 N 7.79 0.00 0.33 0.00 5.19 -2.05 -0.68 116.42 127.00 3mbw h ASP 61 Ca -0.40 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.69 3mbw h ASP 61 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 3mbw h ASP 61 CO 0.90 0.00 -1.75 0.00 -3.12 0.00 0.00 179.24 175.27 3mbw h ALA 62 N 1.49 0.45 0.00 3.45 0.00 -2.05 -3.35 119.26 119.24 3mbw h ALA 62 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.63 3mbw h ALA 62 Cb 0.59 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3mbw h ALA 62 CO -0.00 1.31 0.00 0.00 0.00 0.00 0.00 179.25 180.56 3mbw n ALA 63 N -2.77 1.87 -2.15 0.00 0.00 -0.28 -4.79 120.51 112.40 3mbw n ALA 63 Ca -0.23 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 3mbw n ALA 63 Cb 1.05 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3mbw n ALA 63 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3mbw s MET 64 N -3.07 3.66 0.25 0.00 -1.94 -1.10 -4.97 119.30 112.12 3mbw s MET 64 Ca 0.08 1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 55.22 3mbw s MET 64 Cb 0.12 -4.06 -0.10 0.00 2.01 0.00 0.00 34.83 32.80 3mbw s MET 64 CO 0.38 -1.46 1.43 -1.21 -0.01 0.00 0.00 175.02 174.15 3mbw s GLU 65 N 4.91 4.28 -0.04 2.03 2.02 -1.26 -4.96 118.70 125.67 3mbw s GLU 65 Ca 0.71 2.28 -0.02 0.00 0.02 0.00 0.00 54.97 57.97 3mbw s GLU 65 Cb -0.22 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 30.93 3mbw s GLU 65 CO 0.30 -0.41 0.09 -0.65 0.02 0.00 0.00 175.26 174.61 3mbw s GLN 66 N -0.35 0.03 0.18 1.61 -0.21 -1.26 -4.59 119.66 115.08 3mbw s GLN 66 Ca 0.59 0.27 0.03 0.00 0.02 0.00 0.00 55.36 56.27 3mbw s GLN 66 Cb -0.41 -0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.36 3mbw s GLN 66 CO 0.43 -0.15 -0.04 0.71 -2.12 0.00 0.00 175.29 174.12 3mbw s TYR 67 N 1.03 1.35 -0.28 0.91 1.51 -1.12 -0.78 117.35 119.97 3mbw s TYR 67 Ca -0.08 -0.89 -0.06 0.00 -1.01 0.00 0.00 57.07 55.02 3mbw s TYR 67 Cb -0.11 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 3mbw s TYR 67 CO -0.04 -0.05 0.07 0.42 -1.11 0.00 0.00 175.55 174.84 3mbw s ILE 68 N -3.46 3.91 0.05 2.71 1.01 -0.70 -0.14 121.20 124.59 3mbw s ILE 68 Ca 0.23 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3mbw s ILE 68 Cb 0.05 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 3mbw s ILE 68 CO 0.04 0.13 0.73 -0.76 0.00 0.00 0.00 174.94 175.08 3mbw s LEU 69 N 1.50 4.47 -0.10 2.97 1.43 0.61 -3.19 118.68 126.37 3mbw s LEU 69 Ca 0.03 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 3mbw s LEU 69 Cb -0.17 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3mbw s LEU 69 CO 0.02 0.07 -0.17 -0.31 0.23 0.00 0.00 176.35 176.19 3mbw s TYR 70 N -0.29 2.06 -0.36 0.29 1.51 -0.42 0.59 117.35 120.72 3mbw s TYR 70 Ca 0.36 -0.92 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 3mbw s TYR 70 Cb -0.20 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3mbw s TYR 70 CO 0.22 -0.44 0.61 -1.17 -1.11 0.00 0.00 175.55 173.66 3mbw s LEU 71 N 0.79 4.30 0.00 -1.29 0.20 -0.04 -1.44 118.68 121.20 3mbw s LEU 71 Ca -0.10 0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.80 3mbw s LEU 71 Cb -0.16 -2.74 -0.01 0.00 -0.43 0.00 0.00 46.19 42.86 3mbw s LEU 71 CO 0.01 -0.59 0.08 1.33 -0.29 0.00 0.00 176.35 176.90 3mbw n VAL 72 N 5.58 0.00 -3.48 1.68 0.24 0.46 -4.75 118.33 118.05 3mbw n VAL 72 Ca -0.02 -1.67 -0.23 0.00 -2.04 0.00 0.00 64.34 60.38 3mbw n VAL 72 Cb 0.49 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.40 3mbw n VAL 72 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3mbw s GLU 73 N -3.13 3.42 0.40 7.34 8.01 -1.26 -3.46 118.70 130.02 3mbw s GLU 73 Ca 0.12 -0.47 0.17 0.00 0.01 0.00 0.00 54.97 54.79 3mbw s GLU 73 Cb 0.01 -2.71 1.05 0.00 -4.31 0.00 0.00 34.13 28.17 3mbw s GLU 73 CO 0.08 0.17 1.82 1.25 0.01 0.00 0.00 175.26 178.59 3mbw h HIS 74 N 0.82 0.64 -0.33 1.61 2.76 -1.96 -0.89 115.15 117.80 3mbw h HIS 74 Ca -0.50 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.67 3mbw h HIS 74 Cb 1.23 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 3mbw h HIS 74 CO 0.49 0.13 0.11 0.93 -1.30 0.00 0.00 177.93 178.29 3mbw h GLU 75 N 0.45 0.50 -0.00 5.26 3.07 -1.98 0.16 114.58 122.03 3mbw h GLU 75 Ca 0.52 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 59.19 3mbw h GLU 75 Cb 1.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3mbw h GLU 75 CO -0.24 0.53 -0.44 0.93 -1.40 0.00 0.00 179.01 178.40 3mbw h GLU 76 N 0.38 0.01 0.20 2.33 3.07 -1.43 -2.27 114.58 116.86 3mbw h GLU 76 Ca 0.11 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3mbw h GLU 76 Cb 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3mbw h GLU 76 CO -0.01 0.44 -0.09 -0.92 -1.40 0.00 0.00 179.01 177.04 3mbw h TYR 77 N 0.01 -0.24 0.12 4.33 3.20 -1.02 0.94 116.97 124.32 3mbw h TYR 77 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3mbw h TYR 77 Cb 0.77 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3mbw h TYR 77 CO 0.00 0.15 -0.07 1.96 -1.64 0.00 0.00 178.16 178.56 3mbw h GLN 78 N -0.72 -0.18 0.00 1.82 1.08 -0.93 -2.25 115.11 113.93 3mbw h GLN 78 Ca -0.03 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3mbw h GLN 78 Cb 0.50 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3mbw h GLN 78 CO 0.04 -0.12 0.00 -0.07 -0.95 0.00 0.00 178.83 177.73 3mbw h LEU 79 N -0.19 0.00 2.42 1.46 3.38 -1.52 -3.47 115.31 117.39 3mbw h LEU 79 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.54 3mbw h LEU 79 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3mbw h LEU 79 CO 0.02 0.00 -0.49 0.00 0.09 0.00 0.00 178.44 178.06 3mbw s GLN 81 N -4.69 1.34 0.51 0.00 -1.52 -0.46 -4.91 119.66 109.94 3mbw s GLN 81 Ca 0.00 -0.31 -0.17 0.00 -1.95 0.00 0.00 55.36 52.93 3mbw s GLN 81 Cb 0.00 -1.17 -0.08 0.00 -0.22 0.00 0.00 33.01 31.54 3mbw s GLN 81 CO 0.00 0.01 0.99 -1.25 -0.25 0.00 0.00 175.29 174.79 3mbw s PRO 82 N 0.65 3.94 -0.03 2.91 0.04 -1.26 -4.48 135.00 136.78 3mbw s PRO 82 Ca -0.12 0.98 0.15 0.00 0.04 0.00 0.00 61.00 62.04 3mbw s PRO 82 Cb -0.14 -2.13 -0.20 0.00 0.04 0.00 0.00 34.50 32.06 3mbw s PRO 82 CO 0.02 -0.27 0.63 0.00 0.04 0.00 0.00 177.00 177.42 3mbw n GLN 83 N -1.54 0.64 -3.49 4.56 10.64 -1.26 -5.02 117.38 121.91 3mbw n GLN 83 Ca 0.07 0.22 -0.12 0.00 -1.83 0.00 0.00 57.00 55.34 3mbw n GLN 83 Cb 0.54 -1.75 -0.03 0.00 -0.86 0.00 0.00 30.24 28.13 3mbw n GLN 83 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3mbw s SER 84 N -5.86 -0.47 0.56 2.61 1.04 -1.26 -5.04 113.70 105.28 3mbw s SER 84 Ca -0.05 -0.05 0.29 0.00 0.48 0.00 0.00 55.95 56.62 3mbw s SER 84 Cb 0.08 0.55 1.67 0.00 0.10 0.00 0.00 66.02 68.42 3mbw s SER 84 CO 0.82 -0.90 2.18 0.07 0.98 0.00 0.00 173.24 176.39 3mbw h LYS 85 N 2.20 0.00 -0.26 4.02 -0.00 -2.00 -2.82 116.57 117.71 3mbw h LYS 85 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 3mbw h LYS 85 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 3mbw h LYS 85 CO 0.41 0.05 0.00 -0.40 -0.00 0.00 0.00 179.45 179.51 3mbw n ASP 86 N -3.76 0.26 -0.00 7.07 3.85 -1.26 -1.86 116.55 120.85 3mbw n ASP 86 Ca -0.02 -0.75 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 3mbw n ASP 86 Cb 0.15 -0.13 -0.00 0.00 -1.35 0.00 0.00 41.12 39.78 3mbw n ASP 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mbw n GLN 87 N 0.06 0.24 -1.69 0.11 6.02 -1.06 -5.03 117.38 116.03 3mbw n GLN 87 Ca 0.00 -0.00 -0.55 0.00 -0.01 0.00 0.00 57.00 56.43 3mbw n GLN 87 Cb 0.07 -1.01 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 3mbw n GLN 87 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3mbw n VAL 88 N -1.55 0.29 -0.11 5.09 0.31 -0.78 -0.86 118.33 120.72 3mbw n VAL 88 Ca -0.00 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.10 3mbw n VAL 88 Cb 0.04 -1.25 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 3mbw n VAL 88 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3mbw n ARG 89 N 5.05 0.54 -3.58 5.55 3.00 0.20 -4.78 116.66 122.63 3mbw n ARG 89 Ca 0.25 0.34 -0.11 0.00 -0.00 0.00 0.00 57.85 58.32 3mbw n ARG 89 Cb 0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 32.46 31.05 3mbw n ARG 89 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3mbw s TRP 90 N -2.58 -0.30 -0.14 -0.14 -0.11 -1.12 -5.02 118.94 109.54 3mbw s TRP 90 Ca -0.30 0.01 -0.02 0.00 1.22 0.00 0.00 56.10 57.01 3mbw s TRP 90 Cb 0.08 0.39 -0.02 0.00 -1.50 0.00 0.00 33.47 32.41 3mbw s TRP 90 CO 0.44 -0.79 -0.09 -1.14 -4.62 0.00 0.00 176.95 170.75 3mbw s GLN 91 N -3.80 3.46 -1.10 5.86 2.00 -1.26 -0.29 119.66 124.53 3mbw s GLN 91 Ca 0.03 -0.61 -0.04 0.00 -2.00 0.00 0.00 55.36 52.75 3mbw s GLN 91 Cb 0.00 -2.75 0.28 0.00 0.80 0.00 0.00 33.01 31.35 3mbw s GLN 91 CO -0.11 0.26 1.71 0.00 -0.50 0.00 0.00 175.29 176.65 3mbw n ASN 93 N 1.14 3.40 -3.58 0.00 0.23 -1.26 -2.81 115.26 112.38 3mbw n ASN 93 Ca 0.37 -1.99 -0.27 0.00 -0.53 0.00 0.00 54.58 52.16 3mbw n ASN 93 Cb 0.30 -0.22 -0.09 0.00 -2.08 0.00 0.00 39.78 37.69 3mbw n ASN 93 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3mbw n ARG 94 N 1.46 2.14 0.12 -3.83 1.74 -1.26 -4.95 116.66 112.07 3mbw n ARG 94 Ca 0.18 -4.50 -0.02 0.00 -0.77 0.00 0.00 57.85 52.74 3mbw n ARG 94 Cb 0.60 -2.20 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 3mbw n ARG 94 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3mbw h PRO 95 N 4.63 0.00 -0.70 5.56 0.13 -1.84 -3.27 132.00 136.50 3mbw h PRO 95 Ca 0.18 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.90 3mbw h PRO 95 Cb 0.71 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.60 3mbw h PRO 95 CO 0.76 0.70 0.23 -1.13 -0.23 0.00 0.00 178.00 178.33 3mbw n SER 96 N -3.67 4.04 -4.68 1.44 3.41 -1.26 -0.34 113.62 112.56 3mbw n SER 96 Ca -0.01 -3.74 -0.45 0.00 -0.26 0.00 0.00 58.87 54.41 3mbw n SER 96 Cb 0.69 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 3mbw n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mbw n ALA 97 N -1.05 1.62 0.20 7.33 0.00 -1.23 -4.95 120.51 122.43 3mbw n ALA 97 Ca 0.48 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 54.10 3mbw n ALA 97 Cb 1.15 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 3mbw n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mbw h LYS 98 N 7.64 -0.86 -0.85 0.00 6.56 -1.95 -3.15 116.57 123.97 3mbw h LYS 98 Ca -0.46 0.06 0.18 0.00 -1.06 0.00 0.00 60.65 59.37 3mbw h LYS 98 Cb 1.24 0.19 -0.11 0.00 -0.57 0.00 0.00 32.23 32.99 3mbw h LYS 98 CO 0.93 -0.57 0.37 1.12 -2.06 0.00 0.00 179.45 179.23 3mbw h HIS 99 N -0.89 0.62 0.00 -1.35 2.07 -2.02 -3.48 115.15 110.10 3mbw h HIS 99 Ca -0.03 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3mbw h HIS 99 Cb 0.82 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3mbw h HIS 99 CO -0.36 0.03 0.00 0.41 -3.07 0.00 0.00 177.93 174.94 3mbw n GLY 100 N -1.33 -0.67 3.77 6.13 0.00 -1.19 -5.12 105.19 106.77 3mbw n GLY 100 Ca 0.19 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 3mbw n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mbw s PRO 101 N -2.00 4.16 0.11 1.61 0.02 -1.26 -4.57 135.00 133.07 3mbw s PRO 101 Ca 0.00 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3mbw s PRO 101 Cb 0.00 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 3mbw s PRO 101 CO 0.00 -0.28 1.19 -2.00 -0.33 0.00 0.00 177.00 175.58 3mbw s GLU 102 N -2.07 4.46 0.27 5.54 2.56 -1.26 -4.90 118.70 123.30 3mbw s GLU 102 Ca 0.54 1.80 0.05 0.00 0.00 0.00 0.00 54.97 57.36 3mbw s GLU 102 Cb -0.35 -3.31 -0.06 0.00 2.00 0.00 0.00 34.13 32.41 3mbw s GLU 102 CO 0.45 -0.18 -0.03 -1.59 -0.56 0.00 0.00 175.26 173.36 3mbw s LYS 103 N 0.55 1.51 -0.25 4.30 -2.85 -1.26 -0.76 119.74 120.98 3mbw s LYS 103 Ca 0.56 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 3mbw s LYS 103 Cb -0.30 -0.98 0.07 0.00 -2.06 0.00 0.00 37.83 34.55 3mbw s LYS 103 CO 0.32 -0.03 -0.01 -1.17 0.10 0.00 0.00 175.35 174.56 3mbw s LEU 104 N -3.42 2.55 -0.55 2.77 1.98 -0.61 -4.98 118.68 116.43 3mbw s LEU 104 Ca 0.30 -1.30 -0.14 0.00 -2.89 0.00 0.00 54.13 50.09 3mbw s LEU 104 Cb 0.05 -1.09 0.13 0.00 0.66 0.00 0.00 46.19 45.94 3mbw s LEU 104 CO 0.12 -0.29 0.49 -0.44 -1.89 0.00 0.00 176.35 174.33 3mbw s SER 105 N 1.44 6.13 -0.40 3.68 0.01 -1.26 -1.83 113.70 121.48 3mbw s SER 105 Ca -0.01 -1.89 -0.20 0.00 1.31 0.00 0.00 55.95 55.16 3mbw s SER 105 Cb -0.18 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.89 3mbw s SER 105 CO -0.10 -0.80 0.61 -0.70 0.41 0.00 0.00 173.24 172.66 3mbw s GLU 106 N 1.44 3.45 -0.14 12.44 2.56 -0.67 -4.91 118.70 132.87 3mbw s GLU 106 Ca 0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 54.97 54.51 3mbw s GLU 106 Cb -0.28 -3.88 -0.01 0.00 2.00 0.00 0.00 34.13 31.96 3mbw s GLU 106 CO 0.01 -0.86 0.93 0.21 -0.56 0.00 0.00 175.26 175.00 3mbw s LYS 107 N 2.68 4.36 -1.44 4.30 2.20 -1.26 -1.12 119.74 129.45 3mbw s LYS 107 Ca 0.22 1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.96 3mbw s LYS 107 Cb -0.15 -3.56 0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3mbw s LYS 107 CO 0.16 -0.34 2.48 1.19 -0.36 0.00 0.00 175.35 178.48 3mbw n PHE 108 N 5.19 2.73 -3.12 4.03 3.01 0.24 -4.95 117.46 124.59 3mbw n PHE 108 Ca 0.07 -2.93 -0.37 0.00 1.01 0.00 0.00 57.45 55.22 3mbw n PHE 108 Cb 0.49 -2.19 -0.06 0.00 -0.01 0.00 0.00 39.48 37.71 3mbw n PHE 108 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3mbw s GLN 109 N 0.90 4.31 0.18 -1.08 -2.07 -1.26 -0.68 119.66 119.96 3mbw s GLN 109 Ca 0.56 0.90 -0.03 0.00 -1.82 0.00 0.00 55.36 54.97 3mbw s GLN 109 Cb 0.16 -3.06 0.08 0.00 -1.09 0.00 0.00 33.01 29.09 3mbw s GLN 109 CO -0.07 0.50 1.46 -0.09 -1.32 0.00 0.00 175.29 175.78 3mbw h ARG 110 N 3.91 0.49 -5.82 9.60 9.65 -1.93 -2.06 114.38 128.22 3mbw h ARG 110 Ca -0.48 -0.36 -0.55 0.00 -1.10 0.00 0.00 59.98 57.49 3mbw h ARG 110 Cb 1.20 0.06 -0.27 0.00 -1.39 0.00 0.00 29.97 29.57 3mbw h ARG 110 CO 0.65 0.98 -0.83 -0.06 2.80 0.00 0.00 179.97 183.50 3mbw s PHE 111 N -3.80 1.65 -0.02 2.20 0.40 -1.26 -4.23 117.98 112.92 3mbw s PHE 111 Ca -0.07 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 3mbw s PHE 111 Cb 0.11 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 3mbw s PHE 111 CO 0.84 0.03 -0.20 -0.08 0.70 0.00 0.00 175.22 176.52 3mbw s THR 112 N -0.64 1.57 -1.16 0.64 -1.32 -1.26 -5.04 115.64 108.43 3mbw s THR 112 Ca 0.06 -0.84 0.27 0.00 -1.21 0.00 0.00 61.69 59.97 3mbw s THR 112 Cb -0.08 -1.31 0.19 0.00 -1.51 0.00 0.00 72.50 69.80 3mbw s THR 112 CO 0.01 0.44 1.69 -2.65 -2.21 0.00 0.00 174.62 171.90 3mbw n PRO 113 N 2.64 0.17 -3.74 7.08 -0.02 -1.26 -4.78 135.00 135.09 3mbw n PRO 113 Ca -0.15 -0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 60.89 3mbw n PRO 113 Cb 0.53 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 3mbw n PRO 113 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mbw s PHE 114 N -2.87 3.10 0.28 6.00 2.19 -1.26 -5.04 117.98 120.38 3mbw s PHE 114 Ca 0.16 -0.43 0.02 0.00 0.33 0.00 0.00 56.93 57.02 3mbw s PHE 114 Cb 0.19 -2.25 0.42 0.00 -1.31 0.00 0.00 43.02 40.06 3mbw s PHE 114 CO 0.59 -0.36 1.74 1.79 1.83 0.00 0.00 175.22 180.80 3mbw h THR 115 N 5.56 1.26 0.00 0.12 1.35 -2.03 -3.04 112.91 116.12 3mbw h THR 115 Ca -0.38 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3mbw h THR 115 Cb 1.17 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3mbw h THR 115 CO 0.58 0.39 0.00 0.18 -0.25 0.00 0.00 175.52 176.42 3mbw n LEU 116 N -4.14 0.75 -4.94 3.87 4.32 -1.26 -4.79 117.00 110.81 3mbw n LEU 116 Ca -0.00 0.65 -0.27 0.00 -0.02 0.00 0.00 56.01 56.37 3mbw n LEU 116 Cb 0.38 -0.50 0.12 0.00 -1.62 0.00 0.00 43.42 41.80 3mbw n LEU 116 CO 0.42 -0.47 0.72 -0.83 -1.22 0.00 0.00 177.39 176.01 3mbw s GLY 117 N -3.59 1.73 0.03 -0.72 0.00 -1.15 -5.11 107.32 98.52 3mbw s GLY 117 Ca 0.06 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.67 3mbw s GLY 117 CO 0.46 -0.59 -0.18 1.25 0.00 0.00 0.00 173.10 174.03 3mbw s LYS 118 N -5.50 2.09 -0.18 2.90 2.36 -1.26 -5.02 119.74 115.14 3mbw s LYS 118 Ca 0.67 -0.96 -0.10 0.00 -2.55 0.00 0.00 55.97 53.02 3mbw s LYS 118 Cb -0.07 -2.19 -0.05 0.00 -1.05 0.00 0.00 37.83 34.47 3mbw s LYS 118 CO 0.48 0.55 0.17 -1.21 1.55 0.00 0.00 175.35 176.89 3mbw s GLU 119 N -1.35 4.10 -0.38 4.03 2.02 -1.26 -4.85 118.70 121.01 3mbw s GLU 119 Ca 0.14 -0.13 -0.09 0.00 0.02 0.00 0.00 54.97 54.91 3mbw s GLU 119 Cb -0.10 -3.39 0.05 0.00 0.10 0.00 0.00 34.13 30.79 3mbw s GLU 119 CO 0.05 0.36 0.20 -0.06 0.02 0.00 0.00 175.26 175.83 3mbw s PHE 120 N 0.17 3.29 0.57 1.61 0.08 -0.77 -5.03 117.98 117.89 3mbw s PHE 120 Ca 0.11 -1.34 -0.15 0.00 0.12 0.00 0.00 56.93 55.67 3mbw s PHE 120 Cb -0.12 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 3mbw s PHE 120 CO 0.00 -0.76 1.02 0.15 -0.10 0.00 0.00 175.22 175.53 3mbw s LYS 121 N 1.46 3.63 0.37 0.44 1.02 -1.26 -4.08 119.74 121.32 3mbw s LYS 121 Ca 0.01 1.01 -0.26 0.00 0.02 0.00 0.00 55.97 56.76 3mbw s LYS 121 Cb -0.21 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 3mbw s LYS 121 CO 0.04 -0.54 1.11 -1.21 -0.92 0.00 0.00 175.35 173.82 3mbw s GLU 122 N -4.28 4.23 -0.78 1.68 0.41 -1.26 -3.70 118.70 115.00 3mbw s GLU 122 Ca 0.60 1.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.86 3mbw s GLU 122 Cb -0.12 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 3mbw s GLU 122 CO 0.38 -0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.43 3mbw n GLY 123 N 0.65 0.94 3.61 -1.39 0.00 -0.68 -5.02 105.19 103.30 3mbw n GLY 123 Ca 0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3mbw n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mbw s HIS 124 N -2.26 2.60 -0.06 1.61 3.76 -1.23 -4.91 115.29 114.79 3mbw s HIS 124 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3mbw s HIS 124 Cb 0.00 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 3mbw s HIS 124 CO 0.00 0.63 -0.11 -1.12 -0.85 0.00 0.00 174.74 173.29 3mbw s SER 125 N -3.64 4.28 0.06 1.40 0.01 -1.26 -0.90 113.70 113.64 3mbw s SER 125 Ca 0.31 -0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.51 3mbw s SER 125 Cb -0.06 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 3mbw s SER 125 CO 0.19 0.35 -0.19 -0.31 0.41 0.00 0.00 173.24 173.69 3mbw s TYR 126 N -0.72 1.62 -0.03 2.43 1.51 1.00 -4.98 117.35 118.17 3mbw s TYR 126 Ca 0.11 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3mbw s TYR 126 Cb -0.11 -0.95 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3mbw s TYR 126 CO 0.01 0.10 -0.15 0.71 -1.11 0.00 0.00 175.55 175.11 3mbw s TYR 127 N -0.91 1.45 -0.08 2.71 1.51 -1.22 0.26 117.35 121.07 3mbw s TYR 127 Ca 0.05 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3mbw s TYR 127 Cb -0.09 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 3mbw s TYR 127 CO 0.02 -0.12 -0.20 0.71 -1.11 0.00 0.00 175.55 174.86 3mbw s TYR 128 N -0.02 2.61 0.08 2.71 1.51 -0.02 -0.41 117.35 123.82 3mbw s TYR 128 Ca -0.01 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.45 3mbw s TYR 128 Cb -0.09 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3mbw s TYR 128 CO 0.01 -0.17 -0.12 0.96 -1.11 0.00 0.00 175.55 175.12 3mbw s ILE 129 N -0.05 0.98 0.31 2.71 -4.36 -0.52 -1.24 121.20 119.03 3mbw s ILE 129 Ca -0.05 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.02 3mbw s ILE 129 Cb -0.14 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 3mbw s ILE 129 CO 0.04 -0.37 0.12 -0.44 0.24 0.00 0.00 174.94 174.53 3mbw s SER 130 N -1.99 4.77 -0.19 4.36 0.01 -0.59 -1.30 113.70 118.77 3mbw s SER 130 Ca -0.00 -0.66 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 3mbw s SER 130 Cb -0.07 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.40 3mbw s SER 130 CO 0.01 -0.19 0.40 -0.54 0.41 0.00 0.00 173.24 173.34 3mbw s LYS 131 N -3.81 0.31 0.26 12.44 -0.14 -1.19 -4.75 119.74 122.85 3mbw s LYS 131 Ca 0.36 0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 55.65 3mbw s LYS 131 Cb -0.04 0.27 -0.11 0.00 -1.68 0.00 0.00 37.83 36.26 3mbw s LYS 131 CO 0.22 -0.27 1.58 -1.25 -0.76 0.00 0.00 175.35 174.87 3mbw s PRO 132 N 2.59 4.16 0.01 -1.68 0.04 -1.26 -1.71 135.00 137.15 3mbw s PRO 132 Ca -0.01 2.50 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 3mbw s PRO 132 Cb -0.12 -3.06 -0.18 0.00 0.04 0.00 0.00 34.50 31.17 3mbw s PRO 132 CO -0.13 -0.61 1.35 0.82 0.04 0.00 0.00 177.00 178.48 3mbw h ILE 133 N 3.55 1.13 0.00 0.56 2.04 -1.29 -3.41 117.51 120.10 3mbw h ILE 133 Ca -0.46 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3mbw h ILE 133 Cb 1.21 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3mbw h ILE 133 CO 0.83 0.19 -1.15 1.41 0.00 0.00 0.00 178.15 179.44 3mbw n HIS 134 N -4.97 0.00 -1.61 1.37 -0.00 -1.26 -5.08 115.22 103.67 3mbw n HIS 134 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.33 3mbw n HIS 134 Cb 0.21 -0.10 0.22 0.00 -0.00 0.00 0.00 29.99 30.32 3mbw n HIS 134 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3mbw s GLN 135 N -2.06 -0.33 0.04 -0.41 1.11 -1.26 -5.08 119.66 111.68 3mbw s GLN 135 Ca -0.01 -0.38 -0.10 0.00 0.01 0.00 0.00 55.36 54.87 3mbw s GLN 135 Cb 0.01 -1.73 -0.05 0.00 -1.01 0.00 0.00 33.01 30.22 3mbw s GLN 135 CO 0.09 -3.07 0.37 -1.58 0.01 0.00 0.00 175.29 171.11 3mbw s HIS 136 N -3.60 3.61 -0.83 0.91 5.65 -1.26 -4.73 115.29 115.04 3mbw s HIS 136 Ca 0.75 0.78 -0.23 0.00 0.25 0.00 0.00 55.06 56.60 3mbw s HIS 136 Cb -0.04 -2.14 0.07 0.00 -1.18 0.00 0.00 32.58 29.28 3mbw s HIS 136 CO 0.54 0.57 1.20 -2.00 -0.65 0.00 0.00 174.74 174.41 3mbw s GLU 137 N -1.68 3.35 -0.04 2.88 2.12 -1.26 -4.86 118.70 119.22 3mbw s GLU 137 Ca 0.29 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.59 3mbw s GLU 137 Cb -0.14 -4.65 -0.05 0.00 0.26 0.00 0.00 34.13 29.55 3mbw s GLU 137 CO 0.16 -1.99 0.45 -0.44 -0.54 0.00 0.00 175.26 172.90 3mbw h ASP 138 N 9.59 -0.27 -1.68 -1.70 5.19 -2.05 -3.48 116.42 122.03 3mbw h ASP 138 Ca -0.07 0.01 -0.59 0.00 -0.62 0.00 0.00 57.03 55.76 3mbw h ASP 138 Cb 1.04 0.07 -0.11 0.00 0.18 0.00 0.00 39.33 40.52 3mbw h ASP 138 CO 1.25 0.06 -0.56 0.00 -3.12 0.00 0.00 179.24 176.88 3mbw s ARG 139 N -2.61 2.10 -0.20 3.56 1.70 -1.26 -5.12 118.95 117.11 3mbw s ARG 139 Ca -0.05 -1.92 -0.20 0.00 -0.47 0.00 0.00 55.73 53.10 3mbw s ARG 139 Cb 0.00 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 3mbw s ARG 139 CO 0.14 -0.04 0.57 0.00 -1.08 0.00 0.00 175.30 174.89 3mbw s LEU 141 N 1.84 3.85 0.08 0.00 1.43 -1.26 -4.81 118.68 119.81 3mbw s LEU 141 Ca 0.26 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 3mbw s LEU 141 Cb -0.16 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3mbw s LEU 141 CO 0.10 -0.10 0.46 0.00 0.23 0.00 0.00 176.35 177.04 3mbw s ARG 142 N 1.66 1.03 -0.00 1.70 1.70 -1.26 -1.54 118.95 122.23 3mbw s ARG 142 Ca 0.06 -0.42 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3mbw s ARG 142 Cb -0.16 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 3mbw s ARG 142 CO 0.07 -0.38 0.02 -1.17 -1.08 0.00 0.00 175.30 172.76 3mbw s LEU 143 N -2.27 1.95 -0.18 -1.89 2.96 -0.37 -4.34 118.68 114.54 3mbw s LEU 143 Ca -0.02 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3mbw s LEU 143 Cb -0.00 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 3mbw s LEU 143 CO -0.06 -0.06 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.08 3mbw s LYS 144 N -0.25 3.40 -0.22 1.98 2.20 -0.38 -0.84 119.74 125.64 3mbw s LYS 144 Ca -0.03 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3mbw s LYS 144 Cb -0.02 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 3mbw s LYS 144 CO -0.00 -0.00 -0.03 0.08 -0.36 0.00 0.00 175.35 175.04 3mbw s VAL 145 N 0.95 3.50 -0.16 4.02 1.01 0.14 -0.45 120.40 129.42 3mbw s VAL 145 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3mbw s VAL 145 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 3mbw s VAL 145 CO 0.00 0.42 -0.12 0.28 0.00 0.00 0.00 175.10 175.68 3mbw s THR 146 N 1.45 2.99 -0.15 3.92 -1.32 -0.03 -0.00 115.64 122.50 3mbw s THR 146 Ca 0.05 -0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 59.65 3mbw s THR 146 Cb -0.14 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 3mbw s THR 146 CO -0.02 0.50 0.66 -0.69 -2.21 0.00 0.00 174.62 172.86 3mbw s VAL 147 N 0.76 5.03 -2.30 5.08 1.01 -0.08 -0.31 120.40 129.59 3mbw s VAL 147 Ca -0.05 1.30 0.30 0.00 0.00 0.00 0.00 61.98 63.53 3mbw s VAL 147 Cb -0.15 -3.99 0.70 0.00 0.00 0.00 0.00 36.38 32.94 3mbw s VAL 147 CO 0.01 0.16 1.94 -1.54 0.00 0.00 0.00 175.10 175.68