#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbh s SER 2 N 0.00 -0.52 0.00 0.00 0.15 -1.26 -5.02 113.70 107.05 2wbh s SER 2 Ca 0.00 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.65 2wbh s SER 2 Cb 0.00 0.95 0.04 0.00 -1.71 0.00 0.00 66.02 65.29 2wbh s SER 2 CO 0.00 -0.21 0.64 -0.46 1.20 0.00 0.00 173.24 174.41 2wbh n ASN 3 N 2.12 1.38 -4.47 5.45 0.23 -1.26 -4.82 115.26 113.90 2wbh n ASN 3 Ca -0.13 -1.19 -0.43 0.00 -0.53 0.00 0.00 54.58 52.30 2wbh n ASN 3 Cb 0.56 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2wbh n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2wbh n PHE 4 N 0.25 4.63 -4.41 -2.53 7.35 -1.26 -4.92 117.46 116.57 2wbh n PHE 4 Ca 0.03 -3.00 -0.23 0.00 -0.76 0.00 0.00 57.45 53.48 2wbh n PHE 4 Cb 0.12 -2.48 -0.08 0.00 0.35 0.00 0.00 39.48 37.39 2wbh n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2wbh s THR 5 N 3.24 0.26 0.46 -2.13 -4.23 -1.26 -4.83 115.64 107.15 2wbh s THR 5 Ca 0.50 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.78 2wbh s THR 5 Cb 0.03 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 2wbh s THR 5 CO 0.04 0.00 1.14 -1.58 -0.54 0.00 0.00 174.62 173.69 2wbh s GLN 6 N -3.54 3.78 0.21 3.99 0.74 -1.26 -4.42 119.66 119.16 2wbh s GLN 6 Ca 0.31 1.72 -0.18 0.00 0.05 0.00 0.00 55.36 57.26 2wbh s GLN 6 Cb 0.02 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.77 2wbh s GLN 6 CO 0.21 -0.52 0.56 -0.59 -0.55 0.00 0.00 175.29 174.40 2wbh s PHE 7 N -1.59 -0.12 -0.31 1.67 -0.71 -0.38 -5.00 117.98 111.54 2wbh s PHE 7 Ca 0.64 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 56.11 2wbh s PHE 7 Cb -0.27 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2wbh s PHE 7 CO 0.33 -0.97 0.55 0.08 -1.34 0.00 0.00 175.22 173.86 2wbh s VAL 8 N -3.88 5.01 -0.03 -2.49 1.01 -1.26 -1.00 120.40 117.76 2wbh s VAL 8 Ca 0.10 0.64 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2wbh s VAL 8 Cb -0.02 -3.94 -0.32 0.00 0.00 0.00 0.00 36.38 32.10 2wbh s VAL 8 CO -0.01 -0.11 0.76 0.25 0.00 0.00 0.00 175.10 175.99 2wbh h LEU 9 N 9.03 0.69 -7.71 3.92 5.85 -0.50 -3.44 115.31 123.15 2wbh h LEU 9 Ca -0.28 -0.93 -0.64 0.00 0.84 0.00 0.00 57.88 56.87 2wbh h LEU 9 Cb 1.13 -0.23 -0.38 0.00 0.37 0.00 0.00 40.66 41.55 2wbh h LEU 9 CO 0.76 1.77 -0.78 -0.69 -0.34 0.00 0.00 178.44 179.17 2wbh s VAL 10 N -2.58 1.87 -0.42 1.05 1.01 -0.53 -4.94 120.40 115.86 2wbh s VAL 10 Ca -0.14 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 2wbh s VAL 10 Cb 0.05 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2wbh s VAL 10 CO 0.88 -0.20 0.79 -1.81 0.00 0.00 0.00 175.10 174.77 2wbh s ASP 11 N 1.21 6.46 -0.68 3.32 1.11 -1.26 -1.02 116.67 125.82 2wbh s ASP 11 Ca -0.03 0.06 0.05 0.00 0.18 0.00 0.00 52.55 52.81 2wbh s ASP 11 Cb -0.19 -2.39 0.17 0.00 1.07 0.00 0.00 42.92 41.57 2wbh s ASP 11 CO -0.07 -0.86 0.48 -3.20 1.18 0.00 0.00 175.17 172.70 2wbh n ASN 12 N 6.65 2.67 0.00 0.27 5.15 -1.26 -4.95 115.26 123.79 2wbh n ASN 12 Ca 0.03 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 2wbh n ASN 12 Cb 0.48 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 2wbh n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wbh n GLY 13 N 2.03 0.34 0.06 8.20 0.00 -1.26 -2.67 105.19 111.89 2wbh n GLY 13 Ca 0.21 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.37 2wbh n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbh n GLY 14 N 0.00 0.65 1.29 -0.02 0.00 -1.26 -4.86 105.19 100.99 2wbh n GLY 14 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wbh n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbh n THR 15 N -0.36 0.48 -0.19 2.61 -2.24 -1.24 -4.77 114.28 108.57 2wbh n THR 15 Ca 0.02 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2wbh n THR 15 Cb 0.43 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2wbh n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbh n GLY 16 N 2.96 1.93 3.76 3.38 0.00 -1.09 -4.89 105.19 111.23 2wbh n GLY 16 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2wbh n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wbh s ASP 17 N 1.83 7.28 -0.20 1.61 1.11 -1.24 -4.33 116.67 122.72 2wbh s ASP 17 Ca 0.00 2.26 -0.06 0.00 0.18 0.00 0.00 52.55 54.93 2wbh s ASP 17 Cb 0.00 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 2wbh s ASP 17 CO 0.00 -0.14 0.03 -0.69 1.18 0.00 0.00 175.17 175.55 2wbh s VAL 18 N -1.13 4.29 -0.04 -1.27 1.01 -0.18 -4.94 120.40 118.13 2wbh s VAL 18 Ca 0.45 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2wbh s VAL 18 Cb -0.32 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2wbh s VAL 18 CO 0.41 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.90 2wbh s THR 19 N 0.87 3.08 -0.06 3.92 2.01 -1.26 0.30 115.64 124.50 2wbh s THR 19 Ca 0.02 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.31 2wbh s THR 19 Cb -0.14 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2wbh s THR 19 CO 0.02 0.56 -0.24 0.54 -0.69 0.00 0.00 174.62 174.81 2wbh s VAL 20 N -0.77 1.99 0.08 3.82 0.11 -0.17 -4.20 120.40 121.26 2wbh s VAL 20 Ca 0.12 -1.02 0.10 0.00 -2.93 0.00 0.00 61.98 58.25 2wbh s VAL 20 Cb -0.11 -1.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2wbh s VAL 20 CO 0.01 0.55 -0.26 0.00 -3.33 0.00 0.00 175.10 172.07 2wbh s ALA 21 N -0.06 2.25 0.21 1.54 0.00 -0.91 -1.25 121.76 123.55 2wbh s ALA 21 Ca -0.06 -1.34 -0.32 0.00 0.00 0.00 0.00 51.96 50.25 2wbh s ALA 21 Cb -0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.42 2wbh s ALA 21 CO 0.04 0.52 1.33 -2.30 0.00 0.00 0.00 175.76 175.36 2wbh n PRO 22 N 1.41 1.74 0.00 0.00 -0.02 -1.26 -1.58 135.00 135.29 2wbh n PRO 22 Ca -0.17 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2wbh n PRO 22 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2wbh n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wbh n SER 23 N 2.16 3.44 -3.59 2.55 2.88 0.34 -4.82 113.62 116.57 2wbh n SER 23 Ca 0.13 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.51 2wbh n SER 23 Cb 0.29 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.68 2wbh n SER 23 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2wbh s ASN 24 N -3.92 -0.68 -0.35 -3.46 3.84 -1.15 -5.01 114.94 104.21 2wbh s ASN 24 Ca 0.00 1.08 0.15 0.00 0.21 0.00 0.00 52.86 54.29 2wbh s ASN 24 Cb 0.00 1.02 0.45 0.00 -0.55 0.00 0.00 41.25 42.17 2wbh s ASN 24 CO 0.00 -0.40 0.98 0.33 -2.79 0.00 0.00 177.10 175.22 2wbh n PHE 25 N 1.92 1.63 -2.92 0.43 -0.00 -1.26 -1.27 117.46 116.00 2wbh n PHE 25 Ca -0.16 -2.92 -0.40 0.00 -0.00 0.00 0.00 57.45 53.97 2wbh n PHE 25 Cb 0.56 -0.32 -0.06 0.00 -0.00 0.00 0.00 39.48 39.66 2wbh n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wbh s ALA 26 N -3.19 3.40 -1.53 3.13 0.00 -1.22 -4.09 121.76 118.26 2wbh s ALA 26 Ca 0.32 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 2wbh s ALA 26 Cb 0.44 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.53 2wbh s ALA 26 CO -0.02 0.21 0.68 0.09 0.00 0.00 0.00 175.76 176.72 2wbh n ASN 27 N 1.91 -6.06 -0.45 0.00 4.13 -1.26 -2.06 115.26 111.47 2wbh n ASN 27 Ca -0.04 -0.33 -0.06 0.00 1.68 0.00 0.00 54.58 55.83 2wbh n ASN 27 Cb 0.49 -4.88 -0.03 0.00 -1.54 0.00 0.00 39.78 33.82 2wbh n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wbh n GLY 28 N -1.58 0.81 3.15 7.41 0.00 -1.26 -4.99 105.19 108.74 2wbh n GLY 28 Ca -0.09 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2wbh n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbh s VAL 29 N -2.11 2.71 0.03 1.61 1.01 -0.88 -4.50 120.40 118.27 2wbh s VAL 29 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.33 2wbh s VAL 29 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2wbh s VAL 29 CO 0.00 -0.00 0.91 0.00 0.00 0.00 0.00 175.10 176.01 2wbh s ALA 30 N 1.23 3.23 -0.04 5.51 0.00 -0.38 -3.45 121.76 127.85 2wbh s ALA 30 Ca -0.05 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2wbh s ALA 30 Cb -0.19 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2wbh s ALA 30 CO -0.03 -0.12 -0.18 -2.00 0.00 0.00 0.00 175.76 173.43 2wbh s GLU 31 N 0.57 1.81 0.07 0.00 2.12 -0.39 -1.22 118.70 121.66 2wbh s GLU 31 Ca 0.47 -0.63 0.09 0.00 0.36 0.00 0.00 54.97 55.26 2wbh s GLU 31 Cb -0.21 -1.58 -0.03 0.00 0.26 0.00 0.00 34.13 32.57 2wbh s GLU 31 CO 0.27 0.26 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.43 2wbh s TRP 32 N 0.01 2.06 -0.00 5.30 0.51 -0.22 -0.51 118.94 126.09 2wbh s TRP 32 Ca -0.03 -0.39 -0.00 0.00 -2.12 0.00 0.00 56.10 53.55 2wbh s TRP 32 Cb -0.11 -1.19 0.00 0.00 -0.81 0.00 0.00 33.47 31.36 2wbh s TRP 32 CO 0.02 0.17 0.01 0.42 -0.51 0.00 0.00 176.95 177.06 2wbh s ILE 33 N -0.91 -0.00 0.86 2.03 -1.09 -0.61 -1.65 121.20 119.82 2wbh s ILE 33 Ca 0.10 0.02 -0.12 0.00 -2.23 0.00 0.00 60.65 58.42 2wbh s ILE 33 Cb -0.10 -0.02 0.11 0.00 -1.58 0.00 0.00 42.46 40.87 2wbh s ILE 33 CO 0.03 0.01 1.12 -0.94 -1.23 0.00 0.00 174.94 173.93 2wbh s SER 34 N 0.08 3.92 0.92 3.58 1.04 -0.80 -2.14 113.70 120.31 2wbh s SER 34 Ca -0.01 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 2wbh s SER 34 Cb -0.01 -1.71 0.17 0.00 0.10 0.00 0.00 66.02 64.57 2wbh s SER 34 CO -0.00 -2.30 1.29 -0.55 0.98 0.00 0.00 173.24 172.65 2wbh s SER 35 N -4.01 3.48 0.58 7.02 0.15 -1.26 -4.74 113.70 114.91 2wbh s SER 35 Ca 0.63 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2wbh s SER 35 Cb -0.14 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2wbh s SER 35 CO 0.53 -2.52 0.00 0.59 1.20 0.00 0.00 173.24 173.05 2wbh n ASN 36 N -3.65 -2.16 -4.69 5.45 3.02 -1.26 -4.85 115.26 107.11 2wbh n ASN 36 Ca 0.13 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.24 2wbh n ASN 36 Cb 0.60 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 2wbh n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wbh n SER 37 N -1.62 3.65 -0.09 6.41 7.64 -1.26 -4.81 113.62 123.53 2wbh n SER 37 Ca 0.00 1.05 0.16 0.00 1.01 0.00 0.00 58.87 61.10 2wbh n SER 37 Cb 0.00 -1.51 0.57 0.00 -1.01 0.00 0.00 64.21 62.26 2wbh n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2wbh h ARG 38 N 6.85 0.26 0.00 1.43 9.65 -1.90 0.20 114.38 130.87 2wbh h ARG 38 Ca -0.45 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2wbh h ARG 38 Cb 1.23 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2wbh h ARG 38 CO 0.93 0.17 -0.01 0.66 2.80 0.00 0.00 179.97 184.52 2wbh h SER 39 N 0.27 0.00 -0.30 -3.80 4.64 -1.87 -1.66 113.55 110.83 2wbh h SER 39 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2wbh h SER 39 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2wbh h SER 39 CO -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 2wbh n GLN 40 N -4.26 3.09 -3.49 4.77 6.02 0.04 -3.40 117.38 120.15 2wbh n GLN 40 Ca -0.03 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.00 53.75 2wbh n GLN 40 Cb 0.10 -1.89 -0.05 0.00 1.02 0.00 0.00 30.24 29.41 2wbh n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wbh s ALA 41 N -2.84 3.64 0.47 -1.58 0.00 -0.63 -4.83 121.76 115.98 2wbh s ALA 41 Ca 0.44 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 2wbh s ALA 41 Cb 0.35 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.03 2wbh s ALA 41 CO 0.09 0.55 0.99 0.71 0.00 0.00 0.00 175.76 178.11 2wbh s TYR 42 N -1.74 3.18 -0.00 0.00 1.51 -1.26 -4.65 117.35 114.38 2wbh s TYR 42 Ca 0.45 1.58 0.01 0.00 -1.01 0.00 0.00 57.07 58.09 2wbh s TYR 42 Cb -0.12 -2.94 -0.00 0.00 -0.11 0.00 0.00 41.96 38.79 2wbh s TYR 42 CO 0.22 -0.47 -0.02 0.21 -1.11 0.00 0.00 175.55 174.37 2wbh s LYS 43 N -3.33 0.17 -0.02 -0.62 2.20 -1.17 -1.90 119.74 115.08 2wbh s LYS 43 Ca 0.64 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2wbh s LYS 43 Cb -0.12 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 2wbh s LYS 43 CO 0.19 0.04 -0.06 0.08 -0.36 0.00 0.00 175.35 175.24 2wbh s VAL 44 N -0.08 0.56 0.16 4.02 1.01 -0.66 -1.19 120.40 124.22 2wbh s VAL 44 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2wbh s VAL 44 Cb -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2wbh s VAL 44 CO -0.00 0.19 -0.03 0.42 0.00 0.00 0.00 175.10 175.67 2wbh s THR 45 N 0.28 0.83 -0.22 3.92 -4.23 0.11 -1.06 115.64 115.28 2wbh s THR 45 Ca -0.04 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 2wbh s THR 45 Cb -0.08 -2.00 0.06 0.00 1.34 0.00 0.00 72.50 71.82 2wbh s THR 45 CO 0.00 -0.59 0.58 0.00 -0.54 0.00 0.00 174.62 174.06 2wbh s SER 47 N 0.53 -0.18 -0.01 0.00 1.04 -0.80 -1.25 113.70 113.03 2wbh s SER 47 Ca -0.02 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.44 2wbh s SER 47 Cb -0.04 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2wbh s SER 47 CO -0.02 -0.52 -0.09 -0.69 0.98 0.00 0.00 173.24 172.90 2wbh s VAL 48 N -1.78 0.71 0.05 5.02 1.01 -1.26 -0.60 120.40 123.55 2wbh s VAL 48 Ca -0.10 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 2wbh s VAL 48 Cb -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2wbh s VAL 48 CO 0.02 0.20 0.40 -0.60 0.00 0.00 0.00 175.10 175.12 2wbh s ARG 49 N -0.18 0.94 -0.65 2.72 3.00 -0.65 -4.95 118.95 119.17 2wbh s ARG 49 Ca 0.03 -0.42 -0.26 0.00 -1.00 0.00 0.00 55.73 54.08 2wbh s ARG 49 Cb -0.04 0.42 0.04 0.00 0.00 0.00 0.00 34.95 35.37 2wbh s ARG 49 CO -0.00 -0.33 1.14 -1.14 0.00 0.00 0.00 175.30 174.97 2wbh s GLN 50 N -2.67 3.29 0.15 5.12 2.00 -1.26 0.19 119.66 126.48 2wbh s GLN 50 Ca -0.04 -0.21 -0.03 0.00 -2.00 0.00 0.00 55.36 53.08 2wbh s GLN 50 Cb -0.00 -4.12 -0.03 0.00 0.80 0.00 0.00 33.01 29.66 2wbh s GLN 50 CO -0.04 -1.84 1.36 0.66 -0.50 0.00 0.00 175.29 174.93 2wbh h SER 51 N 9.69 0.49 -3.84 6.67 4.64 -0.75 -3.46 113.55 126.98 2wbh h SER 51 Ca -0.27 -0.36 -0.30 0.00 -0.47 0.00 0.00 61.79 60.38 2wbh h SER 51 Cb 1.06 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.92 2wbh h SER 51 CO 1.20 1.14 -0.28 -1.54 -0.87 0.00 0.00 176.83 176.48 2wbh n SER 52 N -3.77 -0.58 0.02 4.97 3.41 -0.97 -4.95 113.62 111.75 2wbh n SER 52 Ca -0.05 -2.48 0.03 0.00 -0.26 0.00 0.00 58.87 56.11 2wbh n SER 52 Cb 0.78 1.28 0.40 0.00 -0.26 0.00 0.00 64.21 66.41 2wbh n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wbh h ALA 53 N 1.76 1.62 -0.03 7.33 0.00 -2.03 -2.45 119.26 125.46 2wbh h ALA 53 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wbh h ALA 53 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wbh h ALA 53 CO 0.24 0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.84 2wbh n GLN 54 N -4.41 1.72 -4.10 0.00 6.02 -1.26 -4.91 117.38 110.44 2wbh n GLN 54 Ca 0.02 -1.67 -0.14 0.00 -0.01 0.00 0.00 57.00 55.19 2wbh n GLN 54 Cb 0.12 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.88 2wbh n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2wbh s ASN 55 N -1.62 0.67 0.10 1.08 0.01 -0.92 0.09 114.94 114.35 2wbh s ASN 55 Ca 0.23 -0.29 0.06 0.00 -0.71 0.00 0.00 52.86 52.14 2wbh s ASN 55 Cb 0.16 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 2wbh s ASN 55 CO 0.24 -0.06 -0.02 -0.13 -1.51 0.00 0.00 177.10 175.62 2wbh s ARG 56 N -0.76 2.43 -0.08 -0.60 0.52 -0.42 -0.04 118.95 119.99 2wbh s ARG 56 Ca -0.04 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.25 2wbh s ARG 56 Cb -0.05 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.98 2wbh s ARG 56 CO 0.00 0.52 0.02 0.21 0.02 0.00 0.00 175.30 176.08 2wbh s LYS 57 N -2.34 0.43 0.09 3.54 2.20 0.13 -0.74 119.74 123.05 2wbh s LYS 57 Ca 0.25 0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.72 2wbh s LYS 57 Cb -0.11 -1.02 -0.07 0.00 -1.51 0.00 0.00 37.83 35.12 2wbh s LYS 57 CO 0.17 -0.36 0.75 0.71 -0.36 0.00 0.00 175.35 176.26 2wbh s TYR 58 N 2.01 3.81 -0.22 4.03 1.51 0.20 -1.64 117.35 127.06 2wbh s TYR 58 Ca 0.04 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 2wbh s TYR 58 Cb -0.13 -2.77 0.03 0.00 -0.11 0.00 0.00 41.96 38.98 2wbh s TYR 58 CO -0.05 0.40 -0.13 0.99 -1.11 0.00 0.00 175.55 175.64 2wbh s THR 59 N -0.58 2.40 -0.04 -0.71 2.01 0.23 -1.36 115.64 117.58 2wbh s THR 59 Ca 0.36 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2wbh s THR 59 Cb -0.21 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 2wbh s THR 59 CO 0.24 0.33 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.73 2wbh s ILE 60 N 1.28 3.13 -0.01 1.82 -1.09 -0.08 -1.91 121.20 124.34 2wbh s ILE 60 Ca 0.01 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2wbh s ILE 60 Cb -0.15 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2wbh s ILE 60 CO -0.08 0.57 0.02 -0.54 -1.23 0.00 0.00 174.94 173.68 2wbh s LYS 61 N -0.81 0.05 0.02 2.79 1.02 -0.46 -0.87 119.74 121.47 2wbh s LYS 61 Ca 0.12 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.13 2wbh s LYS 61 Cb -0.11 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 2wbh s LYS 61 CO 0.01 -0.01 -0.11 0.08 -0.92 0.00 0.00 175.35 174.41 2wbh s VAL 62 N -0.09 0.85 -0.07 3.17 1.01 -0.44 -0.71 120.40 124.13 2wbh s VAL 62 Ca -0.01 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2wbh s VAL 62 Cb -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2wbh s VAL 62 CO -0.00 0.06 -0.15 -1.61 0.00 0.00 0.00 175.10 173.40 2wbh s GLU 63 N -0.72 1.92 -0.22 2.72 2.02 -0.33 -0.90 118.70 123.19 2wbh s GLU 63 Ca 0.01 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 2wbh s GLU 63 Cb -0.06 -1.56 0.03 0.00 0.10 0.00 0.00 34.13 32.63 2wbh s GLU 63 CO 0.00 0.09 -0.12 0.08 0.02 0.00 0.00 175.26 175.33 2wbh s VAL 64 N 0.50 2.48 0.29 2.63 1.01 -0.19 -3.03 120.40 124.09 2wbh s VAL 64 Ca -0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 2wbh s VAL 64 Cb -0.15 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 2wbh s VAL 64 CO 0.04 0.31 0.63 -2.16 0.00 0.00 0.00 175.10 173.93 2wbh s PRO 65 N 1.29 3.83 -0.32 2.72 0.04 -1.26 -0.89 135.00 140.41 2wbh s PRO 65 Ca 0.01 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 2wbh s PRO 65 Cb -0.16 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2wbh s PRO 65 CO -0.08 0.21 0.20 0.21 0.04 0.00 0.00 177.00 177.58 2wbh s LYS 66 N -3.10 3.49 0.26 4.56 2.47 0.11 -4.96 119.74 122.57 2wbh s LYS 66 Ca 0.49 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 53.98 2wbh s LYS 66 Cb -0.11 -3.69 -0.09 0.00 -1.46 0.00 0.00 37.83 32.48 2wbh s LYS 66 CO 0.23 -0.40 1.17 0.08 0.16 0.00 0.00 175.35 176.59 2wbh s VAL 67 N 1.68 3.35 0.21 4.02 1.01 -1.26 0.29 120.40 129.71 2wbh s VAL 67 Ca 0.06 1.29 -0.23 0.00 0.00 0.00 0.00 61.98 63.10 2wbh s VAL 67 Cb -0.17 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2wbh s VAL 67 CO 0.09 0.28 0.87 0.00 0.00 0.00 0.00 175.10 176.33 2wbh s ALA 68 N -0.84 -1.44 -0.14 5.51 0.00 -0.39 -4.69 121.76 119.77 2wbh s ALA 68 Ca 0.48 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2wbh s ALA 68 Cb -0.34 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2wbh s ALA 68 CO 0.42 -1.04 -0.16 0.99 0.00 0.00 0.00 175.76 175.97 2wbh s THR 69 N -3.40 2.69 -0.13 0.00 2.01 -1.26 -0.35 115.64 115.19 2wbh s THR 69 Ca 0.13 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 2wbh s THR 69 Cb -0.03 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2wbh s THR 69 CO 0.05 0.53 0.34 -1.58 -0.69 0.00 0.00 174.62 173.27 2wbh s GLN 70 N 0.58 4.21 -0.19 4.92 0.74 0.60 -4.91 119.66 125.60 2wbh s GLN 70 Ca -0.10 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.53 2wbh s GLN 70 Cb -0.16 -3.40 0.03 0.00 1.10 0.00 0.00 33.01 30.59 2wbh s GLN 70 CO 0.03 0.29 -0.14 0.99 -0.55 0.00 0.00 175.29 175.91 2wbh s THR 71 N 0.27 1.85 -0.06 -0.34 2.01 -1.26 -0.23 115.64 117.88 2wbh s THR 71 Ca 0.19 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2wbh s THR 71 Cb -0.14 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.58 2wbh s THR 71 CO 0.06 0.31 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 2wbh s VAL 72 N 1.33 0.67 -1.64 3.82 1.01 -0.44 -4.77 120.40 120.37 2wbh s VAL 72 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2wbh s VAL 72 Cb -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2wbh s VAL 72 CO -0.10 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2wbh n GLY 73 N 4.19 -0.01 2.33 4.51 0.00 -1.26 -0.70 105.19 114.26 2wbh n GLY 73 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wbh n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbh n GLY 74 N -0.82 1.55 3.65 -0.02 0.00 -1.26 -5.00 105.19 103.29 2wbh n GLY 74 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2wbh n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbh s VAL 75 N -3.19 5.22 -0.12 1.61 1.01 0.12 -5.07 120.40 119.98 2wbh s VAL 75 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2wbh s VAL 75 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2wbh s VAL 75 CO 0.00 0.24 0.04 -1.83 0.00 0.00 0.00 175.10 173.55 2wbh s GLU 76 N 1.48 3.37 -0.01 2.72 -1.05 -1.26 -1.33 118.70 122.62 2wbh s GLU 76 Ca 0.16 -0.35 0.06 0.00 -0.15 0.00 0.00 54.97 54.69 2wbh s GLU 76 Cb -0.15 -2.98 -0.02 0.00 -0.44 0.00 0.00 34.13 30.54 2wbh s GLU 76 CO 0.08 0.58 -0.20 -0.51 0.95 0.00 0.00 175.26 176.16 2wbh s LEU 77 N -0.51 2.05 -0.18 1.83 1.43 0.68 -4.95 118.68 119.03 2wbh s LEU 77 Ca 0.10 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2wbh s LEU 77 Cb -0.12 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2wbh s LEU 77 CO 0.02 0.24 1.44 -2.16 0.23 0.00 0.00 176.35 176.12 2wbh s PRO 78 N -0.54 4.05 0.33 1.29 0.05 -1.26 -0.29 135.00 138.63 2wbh s PRO 78 Ca 0.08 1.69 0.03 0.00 0.05 0.00 0.00 61.00 62.85 2wbh s PRO 78 Cb -0.08 -3.90 -0.04 0.00 0.05 0.00 0.00 34.50 30.53 2wbh s PRO 78 CO -0.00 -0.96 0.11 0.14 0.05 0.00 0.00 177.00 176.33 2wbh s VAL 79 N 4.21 0.73 -0.27 -0.36 -7.23 0.52 -4.71 120.40 113.29 2wbh s VAL 79 Ca 0.63 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 2wbh s VAL 79 Cb -0.24 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 2wbh s VAL 79 CO 0.23 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.26 2wbh s ALA 80 N -3.42 3.55 0.34 1.32 0.00 -1.22 -1.27 121.76 121.07 2wbh s ALA 80 Ca 0.33 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2wbh s ALA 80 Cb 0.06 -2.53 0.61 0.00 0.00 0.00 0.00 23.12 21.26 2wbh s ALA 80 CO 0.15 -0.51 1.98 0.00 0.00 0.00 0.00 175.76 177.38 2wbh h ALA 81 N 8.14 1.55 -2.40 0.00 0.00 -0.44 -3.46 119.26 122.65 2wbh h ALA 81 Ca -0.35 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.69 2wbh h ALA 81 Cb 1.18 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2wbh h ALA 81 CO 0.60 0.39 0.46 1.67 0.00 0.00 0.00 179.25 182.37 2wbh s TRP 82 N -5.78 -0.13 -0.01 0.00 1.48 -1.25 -5.00 118.94 108.24 2wbh s TRP 82 Ca -0.10 -0.19 0.04 0.00 -1.06 0.00 0.00 56.10 54.79 2wbh s TRP 82 Cb 0.18 0.65 -0.01 0.00 -1.16 0.00 0.00 33.47 33.13 2wbh s TRP 82 CO 0.78 -0.87 -0.12 1.03 -4.06 0.00 0.00 176.95 173.71 2wbh s ARG 83 N -3.34 0.97 0.17 3.25 0.52 -1.26 -0.71 118.95 118.55 2wbh s ARG 83 Ca 0.12 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2wbh s ARG 83 Cb -0.02 -0.94 -0.07 0.00 0.52 0.00 0.00 34.95 34.45 2wbh s ARG 83 CO 0.03 0.24 0.51 -1.12 0.02 0.00 0.00 175.30 174.98 2wbh s SER 84 N -0.23 6.67 -0.22 0.23 0.01 -0.07 -4.90 113.70 115.20 2wbh s SER 84 Ca 0.04 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2wbh s SER 84 Cb -0.05 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 64.00 2wbh s SER 84 CO -0.00 0.03 -0.12 -0.31 0.41 0.00 0.00 173.24 173.25 2wbh s TYR 85 N -1.63 2.78 -0.13 2.43 1.51 -1.26 -1.02 117.35 120.02 2wbh s TYR 85 Ca 0.42 -1.87 -0.13 0.00 -1.01 0.00 0.00 57.07 54.47 2wbh s TYR 85 Cb -0.13 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2wbh s TYR 85 CO 0.20 -0.81 0.29 -1.17 -1.11 0.00 0.00 175.55 172.96 2wbh s LEU 86 N 1.27 4.30 -0.06 -1.29 2.96 -0.08 -4.99 118.68 120.80 2wbh s LEU 86 Ca -0.03 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2wbh s LEU 86 Cb -0.17 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2wbh s LEU 86 CO -0.08 0.18 0.00 0.21 -1.32 0.00 0.00 176.35 175.34 2wbh s ASN 87 N 0.03 1.42 0.02 3.68 2.47 -1.26 -1.32 114.94 119.97 2wbh s ASN 87 Ca 0.17 -0.07 0.05 0.00 0.42 0.00 0.00 52.86 53.43 2wbh s ASN 87 Cb -0.13 -0.40 -0.02 0.00 -1.45 0.00 0.00 41.25 39.25 2wbh s ASN 87 CO 0.05 -0.18 -0.14 0.00 -3.72 0.00 0.00 177.10 173.11 2wbh s MET 88 N 1.85 1.02 -0.12 0.43 0.23 -0.05 -5.01 119.30 117.65 2wbh s MET 88 Ca 0.03 -0.65 0.02 0.00 -1.03 0.00 0.00 55.69 54.05 2wbh s MET 88 Cb -0.12 -1.02 0.01 0.00 -1.53 0.00 0.00 34.83 32.17 2wbh s MET 88 CO -0.04 0.26 -0.17 -1.21 -2.03 0.00 0.00 175.02 171.83 2wbh s GLU 89 N -0.80 2.43 -0.20 3.16 2.02 -1.26 -0.91 118.70 123.14 2wbh s GLU 89 Ca 0.03 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2wbh s GLU 89 Cb -0.07 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.14 2wbh s GLU 89 CO 0.01 -0.07 -0.17 -1.17 0.02 0.00 0.00 175.26 173.87 2wbh s LEU 90 N 1.00 2.43 -0.24 1.80 2.96 -0.46 -4.98 118.68 121.19 2wbh s LEU 90 Ca -0.05 -0.79 -0.09 0.00 -0.22 0.00 0.00 54.13 52.97 2wbh s LEU 90 Cb -0.15 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2wbh s LEU 90 CO -0.03 -0.04 0.13 -0.89 -1.32 0.00 0.00 176.35 174.20 2wbh s THR 91 N 1.26 5.06 -0.10 3.68 2.01 -1.26 -0.63 115.64 125.67 2wbh s THR 91 Ca 0.02 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2wbh s THR 91 Cb -0.14 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2wbh s THR 91 CO -0.11 0.35 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.43 2wbh s ILE 92 N 1.11 1.18 0.56 1.82 1.01 0.08 -4.97 121.20 121.99 2wbh s ILE 92 Ca 0.06 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 2wbh s ILE 92 Cb -0.14 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2wbh s ILE 92 CO 0.04 0.38 1.29 -2.84 0.00 0.00 0.00 174.94 173.81 2wbh s PRO 93 N 1.16 3.12 0.07 2.79 0.02 -1.26 -1.31 135.00 139.60 2wbh s PRO 93 Ca -0.05 2.05 0.13 0.00 0.02 0.00 0.00 61.00 63.16 2wbh s PRO 93 Cb -0.14 -2.16 0.56 0.00 0.02 0.00 0.00 34.50 32.79 2wbh s PRO 93 CO -0.03 -1.15 1.40 0.44 -0.33 0.00 0.00 177.00 177.34 2wbh n ILE 94 N -1.18 1.23 1.21 2.83 -5.35 0.11 -1.67 119.36 116.55 2wbh n ILE 94 Ca 0.11 0.35 0.13 0.00 -0.27 0.00 0.00 62.75 63.08 2wbh n ILE 94 Cb 0.47 -1.22 0.66 0.00 -1.74 0.00 0.00 39.64 37.81 2wbh n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2wbh n PHE 95 N -1.68 0.00 -2.45 4.28 3.72 -1.26 -4.81 117.46 115.26 2wbh n PHE 95 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2wbh n PHE 95 Cb 0.12 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 2wbh n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wbh s ALA 96 N -2.64 3.41 0.93 4.37 0.00 -0.67 -5.00 121.76 122.16 2wbh s ALA 96 Ca 0.23 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2wbh s ALA 96 Cb 0.18 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 20.01 2wbh s ALA 96 CO 0.42 -0.54 1.28 0.95 0.00 0.00 0.00 175.76 177.87 2wbh s THR 97 N 1.46 1.99 0.36 0.00 -4.23 -1.26 -4.88 115.64 109.07 2wbh s THR 97 Ca 0.58 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2wbh s THR 97 Cb -0.27 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.79 2wbh s THR 97 CO 0.27 0.00 1.95 0.78 -0.54 0.00 0.00 174.62 177.07 2wbh h ASN 98 N -1.53 0.54 -0.55 3.99 4.21 -1.99 -1.74 115.58 118.52 2wbh h ASN 98 Ca -0.45 -0.06 -0.10 0.00 1.21 0.00 0.00 56.30 56.90 2wbh h ASN 98 Cb 1.26 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 38.30 2wbh h ASN 98 CO 0.45 0.50 -0.04 0.28 -1.29 0.00 0.00 177.43 177.33 2wbh h SER 99 N 0.59 0.98 -0.80 5.81 0.02 -1.99 -0.55 113.55 117.60 2wbh h SER 99 Ca 0.14 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2wbh h SER 99 Cb 0.15 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2wbh h SER 99 CO -0.01 1.07 0.39 0.44 -1.14 0.00 0.00 176.83 177.58 2wbh h ASP 100 N 0.87 1.06 -0.68 3.07 3.32 -1.71 -1.64 116.42 120.71 2wbh h ASP 100 Ca 0.15 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2wbh h ASP 100 Cb 0.60 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2wbh h ASP 100 CO 0.04 0.90 0.25 0.00 -1.72 0.00 0.00 179.24 178.70 2wbh h GLU 102 N 1.03 0.93 -0.38 0.00 5.08 -0.26 -0.80 114.58 120.18 2wbh h GLU 102 Ca 0.23 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2wbh h GLU 102 Cb 0.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wbh h GLU 102 CO -0.01 0.66 -0.23 1.25 -1.00 0.00 0.00 179.01 179.68 2wbh h LEU 103 N 0.95 0.86 -0.77 1.33 5.85 -0.70 0.37 115.31 123.19 2wbh h LEU 103 Ca 0.25 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2wbh h LEU 103 Cb -0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2wbh h LEU 103 CO -0.05 1.09 0.48 0.40 -0.34 0.00 0.00 178.44 180.03 2wbh h ILE 104 N 0.62 1.10 -0.26 4.05 2.04 -0.52 0.44 117.51 124.98 2wbh h ILE 104 Ca 0.08 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2wbh h ILE 104 Cb 0.79 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2wbh h ILE 104 CO 0.06 0.17 0.04 0.58 0.00 0.00 0.00 178.15 179.01 2wbh h VAL 105 N 0.94 1.23 -0.04 1.67 2.07 -0.70 -1.54 116.25 119.88 2wbh h VAL 105 Ca 0.31 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2wbh h VAL 105 Cb 0.04 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wbh h VAL 105 CO -0.12 0.25 0.01 0.11 0.02 0.00 0.00 177.57 177.84 2wbh h LYS 106 N 0.24 0.05 -0.42 1.57 1.57 0.07 -0.55 116.57 119.09 2wbh h LYS 106 Ca 0.08 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2wbh h LYS 106 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2wbh h LYS 106 CO 0.01 0.04 -0.30 0.00 -0.57 0.00 0.00 179.45 178.63 2wbh h ALA 107 N 1.97 0.61 -0.48 3.86 0.00 -0.08 -0.21 119.26 124.92 2wbh h ALA 107 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2wbh h ALA 107 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wbh h ALA 107 CO -0.00 0.66 0.13 0.52 0.00 0.00 0.00 179.25 180.56 2wbh h MET 108 N 0.79 0.76 0.00 0.00 2.86 -0.21 -0.79 114.93 118.34 2wbh h MET 108 Ca 0.08 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2wbh h MET 108 Cb 0.89 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 2wbh h MET 108 CO 0.08 0.73 -0.50 -0.56 1.06 0.00 0.00 176.91 177.72 2wbh h GLN 109 N 0.65 0.00 -0.33 1.72 3.07 -1.11 -2.80 115.11 116.31 2wbh h GLN 109 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.84 2wbh h GLN 109 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 2wbh h GLN 109 CO -0.00 0.50 -0.01 0.78 0.09 0.00 0.00 178.83 180.19 2wbh h GLY 110 N 3.00 0.64 0.11 0.06 0.00 -0.83 -0.74 103.07 105.31 2wbh h GLY 110 Ca -0.01 -0.48 0.13 0.00 0.00 0.00 0.00 47.33 46.98 2wbh h GLY 110 CO 0.07 0.44 0.20 -2.00 0.00 0.00 0.00 176.54 175.25 2wbh h LEU 111 N 0.39 0.10 -1.76 3.11 5.85 -1.00 -1.61 115.31 120.38 2wbh h LEU 111 Ca 0.09 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2wbh h LEU 111 Cb 0.47 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2wbh h LEU 111 CO 0.02 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.33 2wbh n LEU 112 N -5.09 2.66 -4.72 2.25 4.77 -1.07 -4.33 117.00 111.46 2wbh n LEU 112 Ca 0.12 -1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 2wbh n LEU 112 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2wbh n LEU 112 CO 0.16 0.54 0.96 1.17 -1.33 0.00 0.00 177.39 178.90 2wbh n LYS 113 N 0.99 2.18 -1.67 3.23 4.81 -0.30 -4.71 118.16 122.69 2wbh n LYS 113 Ca 0.17 0.77 -0.52 0.00 -0.87 0.00 0.00 58.31 57.87 2wbh n LYS 113 Cb 0.50 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 33.03 2wbh n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2wbh n ASP 114 N 0.37 2.74 0.00 3.14 2.03 -1.26 -1.64 116.55 121.93 2wbh n ASP 114 Ca 0.05 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2wbh n ASP 114 Cb 0.39 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2wbh n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wbh n GLY 115 N 3.86 3.05 3.76 0.27 0.00 -1.26 -5.07 105.19 109.81 2wbh n GLY 115 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2wbh n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wbh s ASN 116 N -0.13 4.36 0.11 1.61 0.01 -0.65 -4.82 114.94 115.41 2wbh s ASN 116 Ca 0.00 1.73 -0.25 0.00 -0.71 0.00 0.00 52.86 53.63 2wbh s ASN 116 Cb 0.00 -2.43 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 2wbh s ASN 116 CO 0.00 -2.11 1.67 -0.65 -1.51 0.00 0.00 177.10 174.50 2wbh h PRO 117 N -1.18 -0.30 -0.05 -0.60 0.11 -1.88 -2.82 132.00 125.27 2wbh h PRO 117 Ca -0.45 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wbh h PRO 117 Cb 1.24 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wbh h PRO 117 CO 0.53 -0.20 0.03 0.82 -0.21 0.00 0.00 178.00 178.96 2wbh h ILE 118 N -0.31 1.06 -0.55 4.15 2.04 -1.94 -0.82 117.51 121.14 2wbh h ILE 118 Ca 0.03 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2wbh h ILE 118 Cb 0.34 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2wbh h ILE 118 CO -0.10 0.05 0.27 1.55 0.00 0.00 0.00 178.15 179.91 2wbh h PRO 119 N 0.01 0.77 0.00 2.37 0.13 -1.75 -2.38 132.00 131.15 2wbh h PRO 119 Ca 0.02 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2wbh h PRO 119 Cb 0.06 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.04 2wbh h PRO 119 CO -0.00 0.60 -0.17 0.66 -0.23 0.00 0.00 178.00 178.85 2wbh h SER 120 N 0.77 0.00 0.00 1.44 4.64 -1.26 -1.54 113.55 117.61 2wbh h SER 120 Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2wbh h SER 120 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wbh h SER 120 CO -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2wbh h ALA 121 N 2.00 -0.01 -0.45 5.18 0.00 -0.67 -3.09 119.26 122.21 2wbh h ALA 121 Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wbh h ALA 121 Cb 1.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2wbh h ALA 121 CO 0.00 -0.26 0.14 0.82 0.00 0.00 0.00 179.25 179.95 2wbh h ILE 122 N -0.48 0.82 0.00 0.00 2.04 -1.42 0.33 117.51 118.80 2wbh h ILE 122 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wbh h ILE 122 Cb 0.48 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wbh h ILE 122 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.21 2wbh n ALA 123 N -2.42 1.18 -1.51 1.87 0.00 -0.58 -1.86 120.51 117.19 2wbh n ALA 123 Ca 0.04 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.68 2wbh n ALA 123 Cb 0.19 -1.26 0.16 0.00 0.00 0.00 0.00 19.45 18.54 2wbh n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbh n ALA 124 N -1.71 3.03 -4.04 0.00 0.00 -0.60 -4.97 120.51 112.22 2wbh n ALA 124 Ca -0.00 -2.91 -0.28 0.00 0.00 0.00 0.00 53.44 50.25 2wbh n ALA 124 Cb 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2wbh n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wbh n ASN 125 N -1.05 -0.70 -4.20 0.00 3.02 -0.78 -4.95 115.26 106.59 2wbh n ASN 125 Ca 0.16 -1.04 -0.12 0.00 -0.03 0.00 0.00 54.58 53.56 2wbh n ASN 125 Cb 0.71 -2.84 -0.10 0.00 -0.61 0.00 0.00 39.78 36.94 2wbh n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2wbh s SER 126 N -4.18 0.90 0.00 6.41 0.01 0.00 -5.02 113.70 111.82 2wbh s SER 126 Ca 0.14 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2wbh s SER 126 Cb -0.07 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2wbh s SER 126 CO 0.91 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2wbh n GLY 127 N -0.17 2.83 3.87 3.44 0.00 -1.26 -4.14 105.19 109.75 2wbh n GLY 127 Ca -0.07 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 2wbh n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wbh s ILE 128 N 1.87 5.08 0.00 -0.61 -1.09 -1.26 -4.82 121.20 120.36 2wbh s ILE 128 Ca 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2wbh s ILE 128 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2wbh s ILE 128 CO 0.00 0.25 0.00 0.00 -1.23 0.00 0.00 174.94 173.96