#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsh n LYS 3 N 0.00 2.06 -3.49 3.23 5.02 -1.26 -4.60 118.16 119.12 1wsh n LYS 3 Ca 0.00 0.75 -0.38 0.00 -2.02 0.00 0.00 58.31 56.66 1wsh n LYS 3 Cb 0.00 -2.54 -0.10 0.00 -0.02 0.00 0.00 35.03 32.37 1wsh n LYS 3 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1wsh s GLN 4 N 2.52 4.02 0.04 1.97 0.74 -1.26 -0.51 119.66 127.18 1wsh s GLN 4 Ca 0.87 -0.10 0.09 0.00 0.05 0.00 0.00 55.36 56.27 1wsh s GLN 4 Cb -0.72 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 29.73 1wsh s GLN 4 CO 0.46 -0.18 -0.26 0.08 -0.55 0.00 0.00 175.29 174.84 1wsh s VAL 5 N 1.78 2.09 -0.15 1.34 1.01 -0.20 -4.72 120.40 121.54 1wsh s VAL 5 Ca 0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1wsh s VAL 5 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wsh s VAL 5 CO 0.09 0.39 0.01 -1.61 0.00 0.00 0.00 175.10 173.98 1wsh s GLU 6 N -1.14 3.69 -0.07 2.72 2.02 -0.04 -1.68 118.70 124.21 1wsh s GLU 6 Ca 0.11 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.72 1wsh s GLU 6 Cb -0.10 -3.02 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 1wsh s GLU 6 CO 0.02 0.33 -0.21 0.42 0.02 0.00 0.00 175.26 175.84 1wsh s ILE 7 N 0.16 1.76 -0.09 -1.63 1.01 -0.27 -0.26 121.20 121.88 1wsh s ILE 7 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1wsh s ILE 7 Cb -0.13 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1wsh s ILE 7 CO 0.02 0.49 -0.24 -0.36 0.00 0.00 0.00 174.94 174.85 1wsh s PHE 8 N 0.17 2.52 0.04 3.97 0.08 -0.48 -0.26 117.98 124.03 1wsh s PHE 8 Ca -0.10 -0.96 -0.00 0.00 0.12 0.00 0.00 56.93 55.99 1wsh s PHE 8 Cb -0.15 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1wsh s PHE 8 CO 0.05 -0.36 -0.03 0.95 -0.10 0.00 0.00 175.22 175.72 1wsh s THR 9 N 0.20 0.21 -0.16 0.64 -4.23 -0.74 -1.09 115.64 110.47 1wsh s THR 9 Ca -0.15 -1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 58.63 1wsh s THR 9 Cb -0.17 -1.02 0.10 0.00 1.34 0.00 0.00 72.50 72.76 1wsh s THR 9 CO 0.07 -0.78 0.88 -0.62 -0.54 0.00 0.00 174.62 173.63 1wsh s ASP 10 N -2.32 -0.51 0.15 3.99 -1.08 -0.61 -4.30 116.67 111.98 1wsh s ASP 10 Ca -0.02 0.69 0.10 0.00 -0.52 0.00 0.00 52.55 52.79 1wsh s ASP 10 Cb 0.00 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 1wsh s ASP 10 CO -0.06 -0.38 -0.22 -0.83 0.52 0.00 0.00 175.17 174.20 1wsh s GLY 11 N -0.75 1.47 0.02 2.66 0.00 -1.26 -0.82 107.32 108.64 1wsh s GLY 11 Ca -0.04 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 1wsh s GLY 11 CO 0.03 -1.49 0.02 -0.45 0.00 0.00 0.00 173.10 171.21 1wsh s SER 12 N -2.38 0.18 -0.16 1.64 0.15 0.08 -4.76 113.70 108.45 1wsh s SER 12 Ca 0.14 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1wsh s SER 12 Cb -0.08 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1wsh s SER 12 CO 0.07 -0.34 0.41 0.00 1.20 0.00 0.00 173.24 174.58 1wsh n LEU 14 N 3.60 0.05 0.00 0.00 4.77 0.13 -4.89 117.00 120.65 1wsh n LEU 14 Ca -0.19 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1wsh n LEU 14 Cb 0.56 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1wsh n LEU 14 CO 0.11 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1wsh n GLY 15 N 1.28 2.63 2.65 -0.72 0.00 -1.26 -4.92 105.19 104.84 1wsh n GLY 15 Ca 0.15 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1wsh n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsh n ASN 16 N -0.88 -2.56 -4.92 1.61 5.15 -1.26 -4.04 115.26 108.36 1wsh n ASN 16 Ca 0.00 -2.76 -0.27 0.00 -0.60 0.00 0.00 54.58 50.96 1wsh n ASN 16 Cb 0.00 1.05 0.06 0.00 -0.53 0.00 0.00 39.78 40.37 1wsh n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wsh s PRO 17 N 0.62 2.37 0.00 1.20 0.04 -1.26 -5.12 135.00 132.85 1wsh s PRO 17 Ca 0.31 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wsh s PRO 17 Cb 0.01 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1wsh s PRO 17 CO -0.10 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1wsh n GLY 18 N -2.90 -1.29 3.73 0.56 0.00 -0.24 -4.89 105.19 100.18 1wsh n GLY 18 Ca 0.07 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1wsh n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsh n PRO 19 N -0.09 2.65 -4.07 1.61 -0.02 -1.07 -0.63 135.00 133.38 1wsh n PRO 19 Ca 0.00 0.95 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1wsh n PRO 19 Cb 0.00 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 30.71 1wsh n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wsh s GLY 20 N 0.59 1.34 0.31 -1.23 0.00 -0.44 -0.69 107.32 107.19 1wsh s GLY 20 Ca 0.66 -1.42 -0.19 0.00 0.00 0.00 0.00 44.72 43.77 1wsh s GLY 20 CO 0.46 -0.95 0.74 -0.32 0.00 0.00 0.00 173.10 173.03 1wsh s GLY 21 N -3.20 0.06 0.17 0.20 0.00 0.12 0.20 107.32 104.87 1wsh s GLY 21 Ca 0.29 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.62 1wsh s GLY 21 CO 0.18 -0.16 -0.12 -2.52 0.00 0.00 0.00 173.10 170.48 1wsh s TYR 22 N -3.43 1.44 -0.03 1.90 -0.85 -0.87 -0.74 117.35 114.76 1wsh s TYR 22 Ca 0.12 -0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 55.97 1wsh s TYR 22 Cb -0.06 -0.70 0.02 0.00 0.38 0.00 0.00 41.96 41.60 1wsh s TYR 22 CO 0.08 0.19 0.07 0.20 -1.52 0.00 0.00 175.55 174.57 1wsh s GLY 23 N -3.20 -0.02 -0.03 5.49 0.00 0.00 -3.16 107.32 106.40 1wsh s GLY 23 Ca 0.19 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 45.12 1wsh s GLY 23 CO 0.03 0.39 0.16 0.00 0.00 0.00 0.00 173.10 173.68 1wsh s ALA 24 N 0.41 -0.40 -0.06 3.20 0.00 -0.28 -1.57 121.76 123.07 1wsh s ALA 24 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1wsh s ALA 24 Cb -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1wsh s ALA 24 CO -0.01 -0.15 -0.06 0.42 0.00 0.00 0.00 175.76 175.95 1wsh s ILE 25 N -0.69 0.71 -0.19 0.00 1.01 -0.25 -1.24 121.20 120.56 1wsh s ILE 25 Ca -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 1wsh s ILE 25 Cb -0.05 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1wsh s ILE 25 CO 0.01 0.27 -0.02 -0.76 0.00 0.00 0.00 174.94 174.44 1wsh s LEU 26 N 0.97 3.16 -0.06 2.97 1.43 -0.07 -1.38 118.68 125.70 1wsh s LEU 26 Ca -0.10 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1wsh s LEU 26 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1wsh s LEU 26 CO 0.00 0.08 -0.24 -0.13 0.23 0.00 0.00 176.35 176.29 1wsh s ARG 27 N 0.87 2.59 -0.23 1.70 1.81 0.64 -1.00 118.95 125.33 1wsh s ARG 27 Ca -0.00 -0.89 -0.09 0.00 -1.72 0.00 0.00 55.73 53.03 1wsh s ARG 27 Cb -0.14 -2.15 0.10 0.00 -0.45 0.00 0.00 34.95 32.30 1wsh s ARG 27 CO 0.02 0.34 0.50 -0.47 -0.68 0.00 0.00 175.30 175.01 1wsh s TYR 28 N -0.08 -0.94 -1.50 -0.53 6.14 0.32 -0.86 117.35 119.90 1wsh s TYR 28 Ca -0.06 1.77 -0.06 0.00 0.64 0.00 0.00 57.07 59.35 1wsh s TYR 28 Cb -0.14 0.46 0.02 0.00 0.42 0.00 0.00 41.96 42.72 1wsh s TYR 28 CO 0.04 -0.52 0.70 -2.13 0.64 0.00 0.00 175.55 174.29 1wsh n ARG 29 N 5.17 -5.26 -0.18 4.97 3.00 -1.26 -0.73 116.66 122.36 1wsh n ARG 29 Ca -0.12 0.84 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 1wsh n ARG 29 Cb 0.51 -5.73 0.00 0.00 0.00 0.00 0.00 32.46 27.24 1wsh n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wsh n GLY 30 N -1.57 2.13 3.89 5.14 0.00 -1.26 -4.99 105.19 108.53 1wsh n GLY 30 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1wsh n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wsh s ARG 31 N -0.04 3.69 0.04 1.61 0.52 0.09 -5.10 118.95 119.76 1wsh s ARG 31 Ca 0.00 0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1wsh s ARG 31 Cb 0.00 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 1wsh s ARG 31 CO 0.00 0.39 0.01 -1.83 0.02 0.00 0.00 175.30 173.89 1wsh s GLU 32 N -2.78 0.56 -0.00 3.54 -1.05 -1.26 -0.52 118.70 117.18 1wsh s GLU 32 Ca 0.44 -0.99 0.06 0.00 -0.15 0.00 0.00 54.97 54.32 1wsh s GLU 32 Cb -0.12 0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.76 1wsh s GLU 32 CO 0.24 -0.11 -0.18 0.15 0.95 0.00 0.00 175.26 176.30 1wsh s LYS 33 N -3.16 1.43 0.07 -4.83 1.02 -0.17 -4.97 119.74 109.12 1wsh s LYS 33 Ca -0.00 -0.70 0.09 0.00 0.02 0.00 0.00 55.97 55.38 1wsh s LYS 33 Cb 0.02 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.89 1wsh s LYS 33 CO -0.07 0.38 -0.25 0.99 -0.92 0.00 0.00 175.35 175.48 1wsh s THR 34 N -0.51 2.31 -0.00 2.17 2.01 -1.26 -0.89 115.64 119.47 1wsh s THR 34 Ca 0.07 -1.44 -0.00 0.00 0.31 0.00 0.00 61.69 60.62 1wsh s THR 34 Cb -0.07 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1wsh s THR 34 CO -0.00 0.29 0.01 -0.36 -0.69 0.00 0.00 174.62 173.86 1wsh s PHE 35 N -0.90 -0.01 -0.12 4.92 0.08 -0.37 -5.01 117.98 116.58 1wsh s PHE 35 Ca 0.13 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.89 1wsh s PHE 35 Cb -0.10 0.00 0.10 0.00 -0.57 0.00 0.00 43.02 42.45 1wsh s PHE 35 CO 0.04 -0.00 0.83 -1.54 -0.10 0.00 0.00 175.22 174.44 1wsh s SER 36 N -0.01 -0.54 -0.15 1.36 1.04 -1.26 -1.12 113.70 113.02 1wsh s SER 36 Ca -0.00 0.63 -0.28 0.00 0.48 0.00 0.00 55.95 56.78 1wsh s SER 36 Cb -0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.70 1wsh s SER 36 CO 0.00 -0.46 0.74 0.00 0.98 0.00 0.00 173.24 174.49 1wsh s ALA 37 N -1.01 -1.80 -0.03 5.32 0.00 -1.19 -4.99 121.76 118.06 1wsh s ALA 37 Ca -0.06 1.64 0.05 0.00 0.00 0.00 0.00 51.96 53.59 1wsh s ALA 37 Cb -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1wsh s ALA 37 CO 0.05 -0.35 -0.19 0.20 0.00 0.00 0.00 175.76 175.48 1wsh s GLY 38 N -0.51 1.44 0.00 0.00 0.00 -1.26 -2.04 107.32 104.96 1wsh s GLY 38 Ca -0.05 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.69 1wsh s GLY 38 CO 0.05 -0.85 -0.22 -0.19 0.00 0.00 0.00 173.10 171.89 1wsh s TYR 39 N -0.71 2.45 0.26 1.90 1.51 0.13 -1.39 117.35 121.51 1wsh s TYR 39 Ca 0.11 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1wsh s TYR 39 Cb -0.10 -1.49 0.32 0.00 -0.11 0.00 0.00 41.96 40.57 1wsh s TYR 39 CO 0.00 0.11 1.84 1.79 -1.11 0.00 0.00 175.55 178.19 1wsh h THR 40 N 4.27 1.24 -2.42 -0.71 1.35 -1.21 -1.17 112.91 114.25 1wsh h THR 40 Ca -0.46 -0.72 -0.29 0.00 -0.55 0.00 0.00 66.41 64.39 1wsh h THR 40 Cb 1.14 0.37 -0.35 0.00 -1.73 0.00 0.00 68.15 67.58 1wsh h THR 40 CO 0.47 0.29 -0.60 -0.60 -0.25 0.00 0.00 175.52 174.83 1wsh s ARG 41 N -5.51 0.22 0.00 4.72 3.52 -1.26 -2.59 118.95 118.04 1wsh s ARG 41 Ca -0.11 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1wsh s ARG 41 Cb 0.16 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1wsh s ARG 41 CO 0.81 -0.66 0.00 -2.37 -0.81 0.00 0.00 175.30 172.28 1wsh n THR 42 N 5.33 0.00 -4.19 4.11 5.66 0.20 -4.29 114.28 121.10 1wsh n THR 42 Ca -0.05 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1wsh n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1wsh n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsh s THR 43 N -2.56 0.91 0.24 1.09 -4.23 -1.26 -1.08 115.64 108.75 1wsh s THR 43 Ca 0.00 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1wsh s THR 43 Cb 0.00 -1.61 0.20 0.00 1.34 0.00 0.00 72.50 72.43 1wsh s THR 43 CO 0.00 -0.73 1.85 -1.13 -0.54 0.00 0.00 174.62 174.07 1wsh h ASN 44 N 3.12 0.80 -0.60 3.99 -1.24 -1.85 -1.34 115.58 118.46 1wsh h ASN 44 Ca -0.36 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.65 1wsh h ASN 44 Cb 1.18 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 40.05 1wsh h ASN 44 CO 0.60 0.51 0.31 0.78 -1.29 0.00 0.00 177.43 178.35 1wsh h ASN 45 N 0.93 0.77 -0.35 1.15 -0.26 -1.96 -1.06 115.58 114.80 1wsh h ASN 45 Ca 0.36 -0.11 -0.13 0.00 -0.56 0.00 0.00 56.30 55.86 1wsh h ASN 45 Cb 0.17 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1wsh h ASN 45 CO -0.17 0.66 -0.27 0.03 -1.06 0.00 0.00 177.43 176.62 1wsh h ARG 46 N 0.82 0.87 -0.42 0.81 3.08 -1.86 -2.30 114.38 115.38 1wsh h ARG 46 Ca 0.21 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1wsh h ARG 46 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1wsh h ARG 46 CO -0.03 1.03 -0.02 0.52 -1.07 0.00 0.00 179.97 180.40 1wsh h MET 47 N 0.74 0.69 -0.72 0.04 2.86 -1.05 0.30 114.93 117.78 1wsh h MET 47 Ca 0.09 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1wsh h MET 47 Cb 0.82 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1wsh h MET 47 CO 0.07 0.72 0.24 0.00 1.06 0.00 0.00 176.91 179.00 1wsh h ALA 48 N 1.33 0.94 -0.29 6.32 0.00 -0.97 -1.01 119.26 125.59 1wsh h ALA 48 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wsh h ALA 48 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wsh h ALA 48 CO 0.02 0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 179.77 1wsh h LEU 49 N 1.06 0.54 -0.83 0.00 3.38 -0.92 -3.14 115.31 115.40 1wsh h LEU 49 Ca 0.23 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wsh h LEU 49 Cb 0.28 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1wsh h LEU 49 CO -0.01 0.75 0.52 -0.03 0.09 0.00 0.00 178.44 179.76 1wsh h MET 50 N 0.32 0.93 -0.34 1.13 4.05 -0.64 -1.46 114.93 118.93 1wsh h MET 50 Ca 0.08 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1wsh h MET 50 Cb 0.50 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.03 1wsh h MET 50 CO 0.02 0.62 -0.04 0.00 0.23 0.00 0.00 176.91 177.75 1wsh h ALA 51 N 1.38 0.27 -0.51 0.39 0.00 -1.14 0.87 119.26 120.52 1wsh h ALA 51 Ca 0.35 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.26 1wsh h ALA 51 Cb 0.12 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1wsh h ALA 51 CO -0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 179.25 178.53 1wsh h ALA 52 N 1.31 0.70 0.18 0.00 0.00 -1.48 -2.13 119.26 117.84 1wsh h ALA 52 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wsh h ALA 52 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wsh h ALA 52 CO -0.31 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.30 1wsh h ILE 53 N 0.85 0.81 -0.25 0.00 2.04 -0.73 -1.12 117.51 119.11 1wsh h ILE 53 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1wsh h ILE 53 Cb 0.71 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1wsh h ILE 53 CO 0.05 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.90 1wsh h VAL 54 N -0.25 0.98 -0.49 1.67 2.07 -0.82 -0.50 116.25 118.92 1wsh h VAL 54 Ca -0.02 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wsh h VAL 54 Cb 0.20 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1wsh h VAL 54 CO 0.03 0.05 0.30 0.00 0.02 0.00 0.00 177.57 177.97 1wsh h ALA 55 N 1.13 0.62 -0.44 1.67 0.00 -1.26 -2.54 119.26 118.43 1wsh h ALA 55 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1wsh h ALA 55 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1wsh h ALA 55 CO -0.08 0.09 -0.28 -0.07 0.00 0.00 0.00 179.25 178.92 1wsh h LEU 56 N 0.65 1.01 -0.82 0.00 3.38 -1.01 -2.78 115.31 115.73 1wsh h LEU 56 Ca 0.18 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wsh h LEU 56 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1wsh h LEU 56 CO -0.03 1.21 0.00 -0.62 0.09 0.00 0.00 178.44 179.09 1wsh n GLU 57 N -4.10 0.18 0.06 1.13 1.02 -0.21 -2.18 120.64 116.53 1wsh n GLU 57 Ca -0.01 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 1wsh n GLU 57 Cb 0.49 -1.88 0.41 0.00 -0.02 0.00 0.00 31.44 30.44 1wsh n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsh n ALA 58 N -1.77 2.53 -2.01 0.62 0.00 -0.97 -4.82 120.51 114.09 1wsh n ALA 58 Ca 0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1wsh n ALA 58 Cb 0.19 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1wsh n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsh s LEU 59 N -3.87 4.48 0.00 0.00 1.43 -0.93 -4.95 118.68 114.85 1wsh s LEU 59 Ca 0.11 2.20 0.23 0.00 -1.03 0.00 0.00 54.13 55.63 1wsh s LEU 59 Cb 0.15 -3.61 0.40 0.00 0.03 0.00 0.00 46.19 43.17 1wsh s LEU 59 CO 0.61 -0.29 1.38 0.29 0.23 0.00 0.00 176.35 178.57 1wsh n LYS 60 N 2.23 2.46 -3.80 1.70 4.76 -1.26 -4.98 118.16 119.28 1wsh n LYS 60 Ca 0.03 -2.25 -0.09 0.00 -2.87 0.00 0.00 58.31 53.12 1wsh n LYS 60 Cb 0.45 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1wsh n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wsh s GLU 61 N -1.46 1.43 -0.07 1.97 -1.05 -1.26 -5.12 118.70 113.14 1wsh s GLU 61 Ca 0.37 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 1wsh s GLU 61 Cb 0.22 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.37 1wsh s GLU 61 CO 0.31 -0.61 1.64 -1.01 0.95 0.00 0.00 175.26 176.54 1wsh s HIS 62 N -3.90 2.01 0.39 4.83 3.76 -1.26 -4.98 115.29 116.14 1wsh s HIS 62 Ca 0.12 0.24 0.07 0.00 -0.15 0.00 0.00 55.06 55.34 1wsh s HIS 62 Cb -0.01 -3.90 -0.08 0.00 1.11 0.00 0.00 32.58 29.70 1wsh s HIS 62 CO -0.00 -3.73 -0.01 0.00 -0.85 0.00 0.00 174.74 170.16 1wsh s GLU 64 N -3.70 2.91 -0.16 0.00 2.12 0.34 -1.06 118.70 119.14 1wsh s GLU 64 Ca 0.35 -1.12 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 1wsh s GLU 64 Cb 0.09 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1wsh s GLU 64 CO 0.18 -0.80 -0.00 0.08 -0.54 0.00 0.00 175.26 174.17 1wsh s VAL 65 N 1.62 4.20 -0.47 3.70 1.01 0.12 -1.03 120.40 129.55 1wsh s VAL 65 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1wsh s VAL 65 Cb -0.20 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.43 1wsh s VAL 65 CO 0.08 0.49 0.35 -0.63 0.00 0.00 0.00 175.10 175.40 1wsh s ILE 66 N 0.25 4.43 -0.33 2.22 1.01 -0.67 -0.04 121.20 128.07 1wsh s ILE 66 Ca -0.01 -1.61 -0.14 0.00 0.00 0.00 0.00 60.65 58.90 1wsh s ILE 66 Cb -0.13 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1wsh s ILE 66 CO 0.02 -0.72 0.29 -0.22 0.00 0.00 0.00 174.94 174.31 1wsh s LEU 67 N 1.43 4.44 -0.17 2.97 0.20 0.57 -1.11 118.68 127.01 1wsh s LEU 67 Ca 0.05 -0.30 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 1wsh s LEU 67 Cb -0.26 -2.22 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 1wsh s LEU 67 CO 0.01 -0.26 -0.01 -0.55 -0.29 0.00 0.00 176.35 175.26 1wsh s SER 68 N 1.73 4.99 -0.12 3.68 0.15 0.64 0.84 113.70 125.62 1wsh s SER 68 Ca 0.09 -0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 1wsh s SER 68 Cb -0.17 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1wsh s SER 68 CO 0.11 0.15 0.43 0.28 1.20 0.00 0.00 173.24 175.41 1wsh s THR 69 N 0.51 0.01 -2.53 6.45 -1.32 -0.88 -1.78 115.64 116.09 1wsh s THR 69 Ca -0.01 -0.12 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 1wsh s THR 69 Cb -0.14 -0.65 0.45 0.00 -1.51 0.00 0.00 72.50 70.64 1wsh s THR 69 CO 0.02 -0.07 1.57 -0.90 -2.21 0.00 0.00 174.62 173.03 1wsh n ASP 70 N 2.27 2.02 -4.64 8.08 5.75 -1.26 -3.11 116.55 125.65 1wsh n ASP 70 Ca -0.16 -1.70 -0.43 0.00 -0.01 0.00 0.00 54.79 52.50 1wsh n ASP 70 Cb 0.57 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1wsh n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsh s SER 71 N -1.83 6.58 0.31 -1.12 0.15 -1.26 -4.87 113.70 111.65 1wsh s SER 71 Ca 0.35 1.73 0.10 0.00 0.70 0.00 0.00 55.95 58.83 1wsh s SER 71 Cb 0.20 -2.53 0.48 0.00 -1.71 0.00 0.00 66.02 62.46 1wsh s SER 71 CO 0.31 -1.07 1.69 -0.61 1.20 0.00 0.00 173.24 174.76 1wsh h GLN 72 N 9.84 0.04 0.04 5.44 5.75 -1.96 -2.71 115.11 131.56 1wsh h GLN 72 Ca -0.33 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1wsh h GLN 72 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1wsh h GLN 72 CO 0.99 0.54 -0.02 -0.92 -2.65 0.00 0.00 178.83 176.77 1wsh h TYR 73 N 0.03 -0.05 -0.81 3.99 3.20 -1.99 -1.59 116.97 119.77 1wsh h TYR 73 Ca -0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1wsh h TYR 73 Cb 0.92 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 1wsh h TYR 73 CO 0.00 0.17 0.52 0.28 -1.64 0.00 0.00 178.16 177.50 1wsh h VAL 74 N -0.27 1.15 -0.26 1.81 2.07 -1.91 -2.22 116.25 116.62 1wsh h VAL 74 Ca -0.01 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1wsh h VAL 74 Cb 0.25 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1wsh h VAL 74 CO 0.01 0.19 0.02 -0.09 0.02 0.00 0.00 177.57 177.71 1wsh h ARG 75 N 1.03 0.10 -0.88 1.57 2.43 -1.29 -1.31 114.38 116.03 1wsh h ARG 75 Ca 0.31 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1wsh h ARG 75 Cb -0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1wsh h ARG 75 CO -0.10 0.06 0.58 1.96 -1.51 0.00 0.00 179.97 180.97 1wsh h GLN 76 N 0.10 1.15 0.04 0.20 4.20 -0.89 -0.55 115.11 119.37 1wsh h GLN 76 Ca 0.12 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1wsh h GLN 76 Cb 0.15 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1wsh h GLN 76 CO -0.20 0.76 -0.02 0.78 -0.67 0.00 0.00 178.83 179.49 1wsh h GLY 77 N 1.19 -0.06 0.94 3.46 0.00 -0.86 -0.06 103.07 107.69 1wsh h GLY 77 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1wsh h GLY 77 CO -0.07 -0.02 0.16 -2.22 0.00 0.00 0.00 176.54 174.39 1wsh h ILE 78 N -0.39 1.19 -0.01 2.60 1.08 -1.09 0.48 117.51 121.37 1wsh h ILE 78 Ca -0.01 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1wsh h ILE 78 Cb 0.36 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1wsh h ILE 78 CO 0.01 0.21 -0.30 0.35 -0.69 0.00 0.00 178.15 177.73 1wsh n THR 79 N -4.66 0.00 0.00 -0.27 -2.24 -0.23 -4.51 114.28 102.37 1wsh n THR 79 Ca -0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wsh n THR 79 Cb 0.14 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1wsh n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsh n GLN 80 N -0.50 3.33 -0.01 -0.78 6.02 -0.05 -4.99 117.38 120.40 1wsh n GLN 80 Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1wsh n GLN 80 Cb 0.37 -0.57 -0.01 0.00 1.02 0.00 0.00 30.24 31.05 1wsh n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsh n TRP 81 N -0.41 0.00 -0.21 1.08 8.01 -0.56 -4.73 117.44 120.61 1wsh n TRP 81 Ca 0.00 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.21 1wsh n TRP 81 Cb 0.03 -0.04 0.12 0.00 -2.01 0.00 0.00 31.31 29.40 1wsh n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsh h ILE 82 N 0.00 0.54 0.57 -0.99 6.09 -0.32 0.77 117.51 124.17 1wsh h ILE 82 Ca -0.03 -0.06 -0.02 0.00 -1.37 0.00 0.00 64.86 63.38 1wsh h ILE 82 Cb 1.05 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 1wsh h ILE 82 CO -0.00 0.03 -0.51 -0.74 -3.07 0.00 0.00 178.15 173.86 1wsh h HIS 83 N 0.18 -1.40 -0.81 2.19 2.76 -1.83 -1.34 115.15 114.91 1wsh h HIS 83 Ca 0.34 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.58 1wsh h HIS 83 Cb 0.54 0.53 -0.06 0.00 1.55 0.00 0.00 27.41 29.98 1wsh h HIS 83 CO -0.31 -0.69 0.49 -0.91 -1.30 0.00 0.00 177.93 175.20 1wsh h ASN 84 N -1.06 0.75 -0.44 3.26 2.35 -1.76 -2.22 115.58 116.46 1wsh h ASN 84 Ca -0.07 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1wsh h ASN 84 Cb 0.90 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.08 1wsh h ASN 84 CO -0.03 0.47 0.09 -0.50 -1.65 0.00 0.00 177.43 175.82 1wsh h TRP 85 N 0.88 0.15 0.00 1.19 6.55 -0.55 0.11 115.95 124.27 1wsh h TRP 85 Ca 0.36 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.23 1wsh h TRP 85 Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1wsh h TRP 85 CO -0.05 0.01 0.00 1.63 -1.05 0.00 0.00 178.44 178.98 1wsh n LYS 86 N -5.10 0.10 -0.00 0.49 5.02 -0.53 0.39 118.16 118.52 1wsh n LYS 86 Ca 0.04 0.41 0.09 0.00 -2.02 0.00 0.00 58.31 56.83 1wsh n LYS 86 Cb 0.21 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 1wsh n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wsh n ALA 87 N -1.65 3.52 -0.80 7.82 0.00 0.16 -4.37 120.51 125.19 1wsh n ALA 87 Ca 0.02 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1wsh n ALA 87 Cb 0.15 -0.68 0.21 0.00 0.00 0.00 0.00 19.45 19.13 1wsh n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wsh n ARG 88 N -1.85 2.64 -2.94 0.00 1.74 -0.00 -4.95 116.66 111.30 1wsh n ARG 88 Ca -0.00 -2.58 -0.16 0.00 -0.77 0.00 0.00 57.85 54.34 1wsh n ARG 88 Cb 0.41 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1wsh n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsh n GLY 89 N -0.48 -0.13 3.48 -0.13 0.00 -0.98 -3.46 105.19 103.49 1wsh n GLY 89 Ca 0.17 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1wsh n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsh n TRP 90 N -4.17 -2.17 -4.10 1.61 7.02 0.16 -5.03 117.44 110.76 1wsh n TRP 90 Ca -0.05 0.74 -0.08 0.00 -1.02 0.00 0.00 57.50 57.08 1wsh n TRP 90 Cb 0.57 -4.04 -0.10 0.00 -2.42 0.00 0.00 31.31 25.32 1wsh n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsh s LYS 91 N -5.25 0.79 0.00 -0.99 -0.14 -1.22 -3.98 119.74 108.95 1wsh s LYS 91 Ca 0.34 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 1wsh s LYS 91 Cb -0.08 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 1wsh s LYS 91 CO 0.79 -0.20 0.00 0.25 -0.76 0.00 0.00 175.35 175.43 1wsh n THR 92 N -0.01 0.00 0.36 2.17 -2.24 0.20 -4.77 114.28 109.99 1wsh n THR 92 Ca -0.10 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 1wsh n THR 92 Cb 0.62 -1.89 0.53 0.00 -2.10 0.00 0.00 70.33 67.49 1wsh n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsh h ALA 93 N -1.74 1.00 -0.61 6.98 0.00 -2.00 -2.45 119.26 120.44 1wsh h ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wsh h ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wsh h ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1wsh n ASP 94 N -2.67 5.24 -1.56 0.00 8.00 -1.26 -4.91 116.55 119.38 1wsh n ASP 94 Ca 0.02 -2.70 -0.17 0.00 0.71 0.00 0.00 54.79 52.65 1wsh n ASP 94 Cb 0.31 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1wsh n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wsh n LYS 95 N 0.84 -1.27 -4.05 -1.24 4.76 -0.92 -4.98 118.16 111.30 1wsh n LYS 95 Ca 0.27 1.02 -0.35 0.00 -2.87 0.00 0.00 58.31 56.38 1wsh n LYS 95 Cb 1.04 -5.34 -0.07 0.00 -1.84 0.00 0.00 35.03 28.83 1wsh n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsh s LYS 96 N -3.96 3.25 0.28 1.97 1.02 -1.26 -4.74 119.74 116.31 1wsh s LYS 96 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1wsh s LYS 96 Cb 0.00 -3.02 -0.14 0.00 -0.52 0.00 0.00 37.83 34.15 1wsh s LYS 96 CO 0.00 0.72 1.13 -2.30 -0.92 0.00 0.00 175.35 173.99 1wsh n PRO 97 N 1.74 1.55 -2.75 -1.68 -0.02 -1.26 0.61 135.00 133.19 1wsh n PRO 97 Ca -0.17 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1wsh n PRO 97 Cb 0.54 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1wsh n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsh s VAL 98 N -0.81 4.23 0.24 -1.45 -7.23 -1.26 -4.73 120.40 109.39 1wsh s VAL 98 Ca 0.61 1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 61.88 1wsh s VAL 98 Cb -0.69 -3.56 -0.09 0.00 0.56 0.00 0.00 36.38 32.59 1wsh s VAL 98 CO 0.58 -0.29 1.32 -0.75 -0.31 0.00 0.00 175.10 175.64 1wsh s LYS 99 N -3.18 4.38 -1.53 4.82 2.20 -1.26 -2.47 119.74 122.70 1wsh s LYS 99 Ca 0.63 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1wsh s LYS 99 Cb -0.11 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1wsh s LYS 99 CO 0.15 -0.23 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1wsh n ASN 100 N 2.10 -4.75 -0.26 1.43 3.02 -1.26 -4.88 115.26 110.66 1wsh n ASN 100 Ca 0.04 0.31 0.26 0.00 -0.03 0.00 0.00 54.58 55.17 1wsh n ASN 100 Cb 0.42 -3.61 0.63 0.00 -0.61 0.00 0.00 39.78 36.61 1wsh n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsh h VAL 101 N 0.00 0.55 -0.53 2.41 3.04 -1.89 -0.77 116.25 119.06 1wsh h VAL 101 Ca -0.31 -0.07 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1wsh h VAL 101 Cb 1.01 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 1wsh h VAL 101 CO 0.44 0.04 0.34 -2.24 -1.01 0.00 0.00 177.57 175.14 1wsh h ASP 102 N 0.19 0.59 0.57 3.17 2.03 -1.90 -1.11 116.42 119.96 1wsh h ASP 102 Ca 0.50 -0.01 -0.29 0.00 -0.73 0.00 0.00 57.03 56.51 1wsh h ASP 102 Cb 1.64 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.99 1wsh h ASP 102 CO -0.12 0.42 -1.39 -0.07 -1.03 0.00 0.00 179.24 177.05 1wsh h LEU 103 N 0.70 0.35 -0.80 0.15 3.38 -1.58 -3.07 115.31 114.44 1wsh h LEU 103 Ca 0.20 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1wsh h LEU 103 Cb -0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1wsh h LEU 103 CO -0.06 1.35 0.24 -0.50 0.09 0.00 0.00 178.44 179.57 1wsh h TRP 104 N 0.06 1.17 -0.37 1.13 4.06 -1.23 0.92 115.95 121.69 1wsh h TRP 104 Ca -0.18 -0.11 -0.10 0.00 2.06 0.00 0.00 58.89 60.56 1wsh h TRP 104 Cb 1.98 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 29.78 1wsh h TRP 104 CO 0.05 0.92 -0.17 1.96 -3.56 0.00 0.00 178.44 177.65 1wsh h GLN 105 N 1.09 0.69 -0.30 0.49 4.20 -1.29 -0.52 115.11 119.47 1wsh h GLN 105 Ca 0.24 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1wsh h GLN 105 Cb 0.29 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1wsh h GLN 105 CO -0.01 0.82 -0.53 -0.09 -0.67 0.00 0.00 178.83 178.35 1wsh h ARG 106 N 0.61 0.88 -0.43 1.46 2.43 -1.34 -2.12 114.38 115.89 1wsh h ARG 106 Ca 0.10 -0.55 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1wsh h ARG 106 Cb 0.63 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1wsh h ARG 106 CO 0.04 1.19 0.11 1.25 -1.51 0.00 0.00 179.97 181.05 1wsh h LEU 107 N 0.67 0.64 -0.81 3.80 5.85 -0.65 -1.95 115.31 122.86 1wsh h LEU 107 Ca 0.02 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1wsh h LEU 107 Cb 1.14 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1wsh h LEU 107 CO 0.12 0.70 0.50 -0.78 -0.34 0.00 0.00 178.44 178.64 1wsh h ASP 108 N 0.55 0.77 -0.59 1.25 -0.00 -1.01 0.16 116.42 117.56 1wsh h ASP 108 Ca 0.13 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.14 1wsh h ASP 108 Cb 0.31 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.47 1wsh h ASP 108 CO 0.00 0.50 0.22 0.00 -0.00 0.00 0.00 179.24 179.96 1wsh h ALA 109 N 1.39 0.76 -0.21 -0.78 0.00 -1.12 -2.39 119.26 116.92 1wsh h ALA 109 Ca 0.35 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1wsh h ALA 109 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wsh h ALA 109 CO -0.17 0.40 -0.36 0.00 0.00 0.00 0.00 179.25 179.12 1wsh h ALA 110 N 1.07 1.00 -0.45 0.00 0.00 -0.55 -2.99 119.26 117.34 1wsh h ALA 110 Ca 0.19 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1wsh h ALA 110 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wsh h ALA 110 CO -0.01 0.60 -0.06 -0.07 0.00 0.00 0.00 179.25 179.71 1wsh h LEU 111 N 0.38 0.77 -0.06 0.00 3.38 -0.48 -2.60 115.31 116.69 1wsh h LEU 111 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wsh h LEU 111 Cb 0.81 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wsh h LEU 111 CO 0.07 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1wsh n GLY 112 N -0.52 -0.76 0.14 0.83 0.00 -0.92 -2.07 105.19 101.90 1wsh n GLY 112 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1wsh n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wsh h GLN 113 N 0.00 0.00 -4.88 1.61 1.08 -1.53 -3.48 115.11 107.91 1wsh h GLN 113 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 1wsh h GLN 113 Cb 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.42 1wsh h GLN 113 CO 0.00 0.00 -0.52 -1.01 -0.95 0.00 0.00 178.83 176.35 1wsh s HIS 114 N -3.16 1.67 -0.51 2.96 3.76 -0.88 -4.43 115.29 114.70 1wsh s HIS 114 Ca 0.08 -1.53 -0.19 0.00 -0.15 0.00 0.00 55.06 53.27 1wsh s HIS 114 Cb 0.10 -0.79 0.06 0.00 1.11 0.00 0.00 32.58 33.05 1wsh s HIS 114 CO 0.65 -0.70 0.65 -0.65 -0.85 0.00 0.00 174.74 173.84 1wsh s GLN 115 N -3.63 3.14 -0.09 1.40 -1.52 -0.22 -4.98 119.66 113.75 1wsh s GLN 115 Ca 0.37 -0.86 -0.13 0.00 -1.95 0.00 0.00 55.36 52.79 1wsh s GLN 115 Cb 0.03 -4.10 -0.05 0.00 -0.22 0.00 0.00 33.01 28.68 1wsh s GLN 115 CO 0.22 -1.25 0.32 0.42 -0.25 0.00 0.00 175.29 174.76 1wsh s ILE 116 N 2.73 5.23 -0.25 1.08 -1.09 -1.26 0.11 121.20 127.74 1wsh s ILE 116 Ca 0.16 0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 59.20 1wsh s ILE 116 Cb -0.19 -3.64 0.08 0.00 -1.58 0.00 0.00 42.46 37.13 1wsh s ILE 116 CO 0.12 0.50 0.04 -0.75 -1.23 0.00 0.00 174.94 173.62 1wsh s LYS 117 N -0.37 0.89 0.14 2.79 2.20 0.94 -4.96 119.74 121.37 1wsh s LYS 117 Ca 0.20 -0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 54.70 1wsh s LYS 117 Cb -0.14 -2.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.93 1wsh s LYS 117 CO 0.08 -0.78 0.87 -1.58 -0.36 0.00 0.00 175.35 173.58 1wsh s TRP 118 N 1.65 3.86 -0.27 4.03 0.52 -1.26 -0.32 118.94 127.15 1wsh s TRP 118 Ca 0.03 1.72 0.02 0.00 0.02 0.00 0.00 56.10 57.88 1wsh s TRP 118 Cb -0.18 -2.93 0.06 0.00 -1.15 0.00 0.00 33.47 29.28 1wsh s TRP 118 CO -0.15 0.35 -0.08 -2.00 0.02 0.00 0.00 176.95 175.09 1wsh s GLU 119 N -0.53 2.29 -0.56 4.98 2.12 0.25 -4.89 118.70 122.36 1wsh s GLU 119 Ca 0.41 -1.33 -0.20 0.00 0.36 0.00 0.00 54.97 54.21 1wsh s GLU 119 Cb -0.23 -2.98 0.07 0.00 0.26 0.00 0.00 34.13 31.25 1wsh s GLU 119 CO 0.28 -0.59 0.74 -1.58 -0.54 0.00 0.00 175.26 173.57 1wsh s TRP 120 N 1.14 2.95 0.00 5.30 0.52 -1.26 -2.08 118.94 125.50 1wsh s TRP 120 Ca -0.08 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 55.47 1wsh s TRP 120 Cb -0.20 -3.84 0.00 0.00 -1.15 0.00 0.00 33.47 28.28 1wsh s TRP 120 CO -0.04 -1.23 0.00 1.33 0.02 0.00 0.00 176.95 177.03 1wsh n VAL 121 N 5.72 0.00 -1.00 4.03 0.24 -1.18 -5.00 118.33 121.15 1wsh n VAL 121 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1wsh n VAL 121 Cb 0.45 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1wsh n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wsh n GLY 126 N 5.00 0.31 3.02 7.63 0.00 -1.26 -4.53 105.19 115.36 1wsh n GLY 126 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1wsh n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wsh s HIS 127 N -1.63 2.12 0.16 1.61 4.02 -1.26 -5.06 115.29 115.25 1wsh s HIS 127 Ca 0.00 -1.17 -0.31 0.00 1.02 0.00 0.00 55.06 54.60 1wsh s HIS 127 Cb 0.00 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.58 29.93 1wsh s HIS 127 CO 0.00 -0.65 1.53 -2.30 1.02 0.00 0.00 174.74 174.34 1wsh n PRO 128 N 4.74 -0.43 0.07 8.40 -0.02 -1.26 -0.29 135.00 146.22 1wsh n PRO 128 Ca -0.17 1.50 -0.13 0.00 -2.02 0.00 0.00 63.50 62.69 1wsh n PRO 128 Cb 0.50 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 1wsh n PRO 128 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wsh h GLU 129 N 0.00 -0.10 -1.00 -0.52 3.07 -1.99 -0.45 114.58 113.59 1wsh h GLU 129 Ca 0.16 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1wsh h GLU 129 Cb 0.40 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 1wsh h GLU 129 CO -0.93 -0.04 0.66 -0.91 -1.40 0.00 0.00 179.01 176.39 1wsh h ASN 130 N -0.12 1.13 0.08 1.42 4.21 -1.83 -0.10 115.58 120.37 1wsh h ASN 130 Ca -0.01 -0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 1wsh h ASN 130 Cb 0.10 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 1wsh h ASN 130 CO 0.02 0.81 -0.25 -0.33 -1.29 0.00 0.00 177.43 176.39 1wsh h GLU 131 N 1.33 0.28 -0.17 0.81 5.08 -0.40 -1.43 114.58 120.09 1wsh h GLU 131 Ca 0.38 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 1wsh h GLU 131 Cb -0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1wsh h GLU 131 CO -0.09 0.52 -0.55 -0.09 -1.00 0.00 0.00 179.01 177.80 1wsh h ARG 132 N 0.26 0.50 -0.50 2.33 2.43 0.31 -2.67 114.38 117.04 1wsh h ARG 132 Ca 0.04 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1wsh h ARG 132 Cb 0.58 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1wsh h ARG 132 CO 0.04 0.92 0.05 0.00 -1.51 0.00 0.00 179.97 179.47 1wsh h ASP 134 N 0.73 1.03 -0.24 0.00 3.58 -1.14 0.89 116.42 121.27 1wsh h ASP 134 Ca 0.15 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1wsh h ASP 134 Cb 0.45 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1wsh h ASP 134 CO 0.02 0.66 0.08 -0.33 -2.88 0.00 0.00 179.24 176.79 1wsh h GLU 135 N 1.17 0.37 -0.78 0.28 5.08 -1.13 0.60 114.58 120.18 1wsh h GLU 135 Ca 0.42 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1wsh h GLU 135 Cb 0.15 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1wsh h GLU 135 CO -0.16 0.44 0.44 -0.07 -1.00 0.00 0.00 179.01 178.66 1wsh h LEU 136 N 0.23 0.96 -0.07 1.33 3.38 -0.73 0.09 115.31 120.50 1wsh h LEU 136 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wsh h LEU 136 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wsh h LEU 136 CO -0.00 0.77 0.02 0.00 0.09 0.00 0.00 178.44 179.32 1wsh h ALA 137 N 1.23 0.09 -0.85 1.53 0.00 -0.60 -1.22 119.26 119.44 1wsh h ALA 137 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wsh h ALA 137 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1wsh h ALA 137 CO -0.05 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.30 1wsh h ARG 138 N -0.07 1.21 -0.35 0.00 3.08 -0.67 0.22 114.38 117.80 1wsh h ARG 138 Ca 0.02 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1wsh h ARG 138 Cb 0.19 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1wsh h ARG 138 CO -0.00 0.93 -0.07 0.00 -1.07 0.00 0.00 179.97 179.76 1wsh h ALA 139 N 1.24 1.22 -0.17 0.04 0.00 -0.83 -1.85 119.26 118.90 1wsh h ALA 139 Ca 0.29 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1wsh h ALA 139 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wsh h ALA 139 CO -0.04 0.51 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 1wsh h ALA 140 N 1.38 0.26 -0.58 0.00 0.00 -0.71 -2.93 119.26 116.67 1wsh h ALA 140 Ca 0.11 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1wsh h ALA 140 Cb 0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wsh h ALA 140 CO 0.02 0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.86 1wsh h ALA 141 N 0.61 2.02 -0.00 0.00 0.00 -0.66 0.52 119.26 121.76 1wsh h ALA 141 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wsh h ALA 141 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wsh h ALA 141 CO 0.05 -0.15 -0.05 -1.33 0.00 0.00 0.00 179.25 177.77 1wsh n MET 142 N -4.47 0.86 -3.03 0.00 2.81 -0.72 -3.98 117.12 108.58 1wsh n MET 142 Ca 0.09 -0.23 -0.15 0.00 -1.81 0.00 0.00 57.70 55.60 1wsh n MET 142 Cb 0.36 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.38 1wsh n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsh n ASN 143 N -0.87 0.12 -4.77 7.83 4.05 0.13 -5.09 115.26 116.66 1wsh n ASN 143 Ca 0.18 -3.12 -0.40 0.00 0.45 0.00 0.00 54.58 51.68 1wsh n ASN 143 Cb 0.24 -0.02 -0.01 0.00 1.23 0.00 0.00 39.78 41.22 1wsh n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsh s PRO 144 N -1.84 4.16 0.00 1.20 0.04 -0.89 -4.63 135.00 133.04 1wsh s PRO 144 Ca 0.35 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1wsh s PRO 144 Cb 0.35 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1wsh s PRO 144 CO -0.06 -0.39 0.02 0.25 0.04 0.00 0.00 177.00 176.86 1wsh n THR 145 N 0.49 0.00 -4.50 1.26 -2.24 -0.49 -4.85 114.28 103.96 1wsh n THR 145 Ca 0.01 -0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1wsh n THR 145 Cb 0.41 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 1wsh n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsh s LEU 146 N -0.75 2.29 -0.01 3.22 1.43 -0.78 -5.00 118.68 119.08 1wsh s LEU 146 Ca 0.00 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 51.70 1wsh s LEU 146 Cb 0.00 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1wsh s LEU 146 CO 0.00 -0.63 -0.06 -0.70 0.23 0.00 0.00 176.35 175.19 1wsh s GLU 147 N -3.84 2.60 -1.10 1.70 2.12 -1.26 -0.72 118.70 118.20 1wsh s GLU 147 Ca 0.33 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 1wsh s GLU 147 Cb 0.08 -2.53 0.15 0.00 0.26 0.00 0.00 34.13 32.08 1wsh s GLU 147 CO 0.15 0.61 1.33 0.34 -0.54 0.00 0.00 175.26 177.15 1wsh s ASP 148 N -1.36 6.87 0.60 -1.70 3.68 -1.26 -4.83 116.67 118.66 1wsh s ASP 148 Ca 0.17 -2.54 0.31 0.00 2.13 0.00 0.00 52.55 52.61 1wsh s ASP 148 Cb -0.11 -2.41 1.80 0.00 -1.45 0.00 0.00 42.92 40.74 1wsh s ASP 148 CO 0.07 -0.92 2.18 0.71 0.13 0.00 0.00 175.17 177.35 1wsh h THR 149 N 5.24 0.43 -0.01 1.71 1.35 -1.95 -1.81 112.91 117.86 1wsh h THR 149 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1wsh h THR 149 Cb 0.94 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1wsh h THR 149 CO 1.21 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 177.08 1wsh n GLY 150 N -1.33 -0.30 3.70 5.82 0.00 -1.26 -4.87 105.19 106.94 1wsh n GLY 150 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1wsh n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsh s TYR 151 N -2.02 3.60 -2.72 1.61 6.14 -0.68 -4.99 117.35 118.30 1wsh s TYR 151 Ca 0.40 1.65 0.22 0.00 0.64 0.00 0.00 57.07 59.98 1wsh s TYR 151 Cb 0.21 -3.14 0.17 0.00 0.42 0.00 0.00 41.96 39.62 1wsh s TYR 151 CO 0.35 -0.09 1.19 1.04 0.64 0.00 0.00 175.55 178.68