#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 1.41 -4.11 1.47 5.02 -1.26 -4.56 118.16 116.14 1wsh n LYS 3 Ca 0.00 0.50 -0.34 0.00 -2.02 0.00 0.00 58.31 56.44 1wsh n LYS 3 Cb 0.00 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 32.98 1wsh n LYS 3 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wsh s GLN 4 N -1.23 3.84 0.05 1.97 -0.21 -1.26 -0.11 119.66 122.71 1wsh s GLN 4 Ca 0.62 -0.38 -0.05 0.00 0.02 0.00 0.00 55.36 55.57 1wsh s GLN 4 Cb -0.72 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.15 1wsh s GLN 4 CO 0.58 0.31 0.10 0.08 -2.12 0.00 0.00 175.29 174.23 1wsh s VAL 5 N 0.25 0.15 -0.02 1.09 1.01 -0.55 -4.59 120.40 117.73 1wsh s VAL 5 Ca 0.02 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1wsh s VAL 5 Cb -0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1wsh s VAL 5 CO 0.01 -0.66 -0.26 -1.61 0.00 0.00 0.00 175.10 172.58 1wsh s GLU 6 N -2.99 2.11 -0.04 2.72 8.01 -0.71 -2.47 118.70 125.31 1wsh s GLU 6 Ca -0.02 -0.92 0.04 0.00 0.01 0.00 0.00 54.97 54.09 1wsh s GLU 6 Cb 0.01 -2.02 -0.00 0.00 -4.31 0.00 0.00 34.13 27.81 1wsh s GLU 6 CO -0.06 0.54 -0.17 0.42 0.01 0.00 0.00 175.26 176.00 1wsh s ILE 7 N -0.57 1.39 -0.05 -1.63 1.01 -0.57 -0.93 121.20 119.85 1wsh s ILE 7 Ca 0.09 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1wsh s ILE 7 Cb -0.10 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1wsh s ILE 7 CO -0.01 0.40 -0.25 -0.36 0.00 0.00 0.00 174.94 174.73 1wsh s PHE 8 N 0.06 2.36 0.12 3.97 0.08 -0.35 -0.95 117.98 123.27 1wsh s PHE 8 Ca -0.04 -0.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.37 1wsh s PHE 8 Cb -0.11 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1wsh s PHE 8 CO 0.02 -0.16 0.06 0.95 -0.10 0.00 0.00 175.22 175.99 1wsh s THR 9 N -0.29 0.12 -0.29 0.64 -4.23 -0.97 -0.41 115.64 110.21 1wsh s THR 9 Ca 0.00 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 1wsh s THR 9 Cb -0.12 -1.96 0.15 0.00 1.34 0.00 0.00 72.50 71.91 1wsh s THR 9 CO 0.02 -0.52 1.17 -0.62 -0.54 0.00 0.00 174.62 174.12 1wsh s ASP 10 N -3.03 -0.31 0.33 3.99 3.68 -0.25 -4.65 116.67 116.44 1wsh s ASP 10 Ca 0.21 0.58 0.09 0.00 2.13 0.00 0.00 52.55 55.56 1wsh s ASP 10 Cb 0.07 0.68 -0.05 0.00 -1.45 0.00 0.00 42.92 42.18 1wsh s ASP 10 CO 0.00 -0.10 0.10 -0.83 0.13 0.00 0.00 175.17 174.47 1wsh s GLY 11 N 0.34 1.95 -0.22 2.66 0.00 -1.26 -0.56 107.32 110.23 1wsh s GLY 11 Ca 0.02 -1.85 -0.26 0.00 0.00 0.00 0.00 44.72 42.64 1wsh s GLY 11 CO -0.10 -1.79 0.71 -0.45 0.00 0.00 0.00 173.10 171.46 1wsh s SER 12 N -3.80 -0.73 -0.12 1.64 0.15 -0.30 -4.90 113.70 105.64 1wsh s SER 12 Ca 0.36 1.29 -0.10 0.00 0.70 0.00 0.00 55.95 58.21 1wsh s SER 12 Cb -0.02 1.27 0.04 0.00 -1.71 0.00 0.00 66.02 65.59 1wsh s SER 12 CO 0.22 -0.33 0.32 0.00 1.20 0.00 0.00 173.24 174.65 1wsh n LEU 14 N 3.39 0.00 0.00 0.00 4.77 0.09 -4.89 117.00 120.36 1wsh n LEU 14 Ca -0.17 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1wsh n LEU 14 Cb 0.56 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1wsh n LEU 14 CO 0.14 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1wsh n GLY 15 N 1.19 2.77 2.65 -0.72 0.00 -1.26 -4.92 105.19 104.90 1wsh n GLY 15 Ca 0.15 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.78 -2.58 -4.93 1.61 5.15 -1.26 -4.05 115.26 108.43 1wsh n ASN 16 Ca 0.00 -2.78 -0.26 0.00 -0.60 0.00 0.00 54.58 50.95 1wsh n ASN 16 Cb 0.00 1.09 0.06 0.00 -0.53 0.00 0.00 39.78 40.40 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 0.61 2.28 0.00 1.20 0.04 -1.26 -5.08 135.00 132.79 1wsh s PRO 17 Ca 0.31 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wsh s PRO 17 Cb 0.02 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1wsh s PRO 17 CO -0.10 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1wsh n GLY 18 N -2.88 -1.21 3.72 0.56 0.00 -0.55 -4.91 105.19 99.92 1wsh n GLY 18 Ca 0.08 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.04 2.58 -4.14 1.61 -0.02 -1.12 -0.65 135.00 133.22 1wsh n PRO 19 Ca 0.00 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1wsh n PRO 19 Cb 0.00 -2.70 -0.07 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 0.64 1.35 0.24 -1.23 0.00 -0.08 -0.73 107.32 107.51 1wsh s GLY 20 Ca 0.68 -1.51 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 1wsh s GLY 20 CO 0.44 -1.13 0.66 -0.32 0.00 0.00 0.00 173.10 172.76 1wsh s GLY 21 N -3.17 -0.24 0.16 0.20 0.00 0.31 0.47 107.32 105.05 1wsh s GLY 21 Ca 0.33 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.05 1wsh s GLY 21 CO 0.15 -0.04 -0.14 -2.52 0.00 0.00 0.00 173.10 170.56 1wsh s TYR 22 N -3.87 1.55 -0.03 1.90 -0.85 -0.91 -1.15 117.35 113.99 1wsh s TYR 22 Ca 0.08 -0.59 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1wsh s TYR 22 Cb -0.04 -0.76 0.02 0.00 0.38 0.00 0.00 41.96 41.56 1wsh s TYR 22 CO 0.00 0.24 0.07 0.20 -1.52 0.00 0.00 175.55 174.54 1wsh s GLY 23 N -2.94 0.02 0.00 5.49 0.00 0.28 -3.24 107.32 106.92 1wsh s GLY 23 Ca 0.16 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 45.13 1wsh s GLY 23 CO 0.04 0.59 0.22 0.00 0.00 0.00 0.00 173.10 173.96 1wsh s ALA 24 N 0.77 -0.53 -0.05 3.20 0.00 -0.24 -1.09 121.76 123.81 1wsh s ALA 24 Ca -0.06 0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1wsh s ALA 24 Cb -0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1wsh s ALA 24 CO -0.03 -0.26 -0.05 0.42 0.00 0.00 0.00 175.76 175.85 1wsh s ILE 25 N -1.55 0.61 -0.21 0.00 1.01 0.45 -1.15 121.20 120.36 1wsh s ILE 25 Ca -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1wsh s ILE 25 Cb -0.06 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1wsh s ILE 25 CO 0.02 0.25 0.03 -0.22 0.00 0.00 0.00 174.94 175.01 1wsh s LEU 26 N 1.03 3.36 -0.08 2.97 2.96 0.71 -1.22 118.68 128.42 1wsh s LEU 26 Ca -0.09 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1wsh s LEU 26 Cb -0.14 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1wsh s LEU 26 CO -0.00 0.05 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.29 1wsh s ARG 27 N 1.11 2.38 -0.22 1.98 3.52 -0.11 0.48 118.95 128.09 1wsh s ARG 27 Ca 0.03 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1wsh s ARG 27 Cb -0.14 -1.86 0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1wsh s ARG 27 CO 0.02 0.12 -0.01 -0.47 -0.81 0.00 0.00 175.30 174.15 1wsh s TYR 28 N 0.44 1.84 -0.17 5.12 6.14 -0.65 -1.74 117.35 128.33 1wsh s TYR 28 Ca -0.16 -1.40 -0.01 0.00 0.64 0.00 0.00 57.07 56.14 1wsh s TYR 28 Cb -0.17 -1.37 0.00 0.00 0.42 0.00 0.00 41.96 40.85 1wsh s TYR 28 CO 0.06 -0.71 0.11 2.89 0.64 0.00 0.00 175.55 178.54 1wsh n ARG 29 N 4.83 -0.42 0.00 4.97 1.85 -1.26 -1.32 116.66 125.30 1wsh n ARG 29 Ca -0.10 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1wsh n ARG 29 Cb 0.45 -0.25 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 1wsh n ARG 29 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wsh n GLY 30 N -0.81 2.12 3.30 2.89 0.00 -1.26 -5.05 105.19 106.39 1wsh n GLY 30 Ca -0.05 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1wsh n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsh n ARG 31 N 0.00 0.16 -3.71 1.61 3.00 -0.43 -5.00 116.66 112.28 1wsh n ARG 31 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 57.85 57.78 1wsh n ARG 31 Cb 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 32.46 31.07 1wsh n ARG 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1wsh s GLU 32 N -1.56 0.20 -0.11 5.56 2.12 -1.26 -1.64 118.70 122.01 1wsh s GLU 32 Ca 0.59 0.59 -0.01 0.00 0.36 0.00 0.00 54.97 56.50 1wsh s GLU 32 Cb -0.44 -0.10 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 1wsh s GLU 32 CO 0.64 -0.19 -0.07 0.15 -0.54 0.00 0.00 175.26 175.25 1wsh s LYS 33 N 1.52 3.22 -0.05 4.30 1.02 0.18 -4.95 119.74 124.98 1wsh s LYS 33 Ca -0.07 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1wsh s LYS 33 Cb -0.11 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1wsh s LYS 33 CO -0.09 0.41 -0.09 0.99 -0.92 0.00 0.00 175.35 175.66 1wsh s THR 34 N -0.13 3.51 -0.00 2.17 2.01 -1.26 -0.21 115.64 121.73 1wsh s THR 34 Ca 0.01 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1wsh s THR 34 Cb -0.13 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1wsh s THR 34 CO 0.03 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 1wsh s PHE 35 N -0.82 0.37 -0.21 4.92 0.08 -0.30 -5.01 117.98 117.01 1wsh s PHE 35 Ca 0.13 -0.08 -0.29 0.00 0.12 0.00 0.00 56.93 56.81 1wsh s PHE 35 Cb -0.11 -0.24 0.14 0.00 -0.57 0.00 0.00 43.02 42.25 1wsh s PHE 35 CO 0.02 -0.01 1.10 -1.54 -0.10 0.00 0.00 175.22 174.70 1wsh s SER 36 N -0.13 -0.29 -0.03 1.36 1.04 -1.26 -1.08 113.70 113.31 1wsh s SER 36 Ca 0.01 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 1wsh s SER 36 Cb -0.02 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.48 1wsh s SER 36 CO -0.00 -0.24 0.70 0.00 0.98 0.00 0.00 173.24 174.69 1wsh s ALA 37 N -0.88 -1.77 0.01 5.32 0.00 -1.20 -4.99 121.76 118.25 1wsh s ALA 37 Ca 0.02 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.30 1wsh s ALA 37 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1wsh s ALA 37 CO -0.02 -0.42 -0.26 0.20 0.00 0.00 0.00 175.76 175.26 1wsh s GLY 38 N -1.39 1.30 -0.02 0.00 0.00 -1.26 -2.15 107.32 103.80 1wsh s GLY 38 Ca -0.08 -1.16 0.08 0.00 0.00 0.00 0.00 44.72 43.56 1wsh s GLY 38 CO 0.06 -1.00 -0.25 -0.19 0.00 0.00 0.00 173.10 171.72 1wsh s TYR 39 N -0.68 2.37 0.36 1.90 1.51 0.17 -1.56 117.35 121.43 1wsh s TYR 39 Ca 0.10 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1wsh s TYR 39 Cb -0.10 -1.50 0.68 0.00 -0.11 0.00 0.00 41.96 40.93 1wsh s TYR 39 CO 0.00 0.01 2.00 1.79 -1.11 0.00 0.00 175.55 178.23 1wsh h THR 40 N 4.44 1.11 -1.95 -0.71 1.35 -1.36 -0.17 112.91 115.62 1wsh h THR 40 Ca -0.44 -0.28 -0.20 0.00 -0.55 0.00 0.00 66.41 64.95 1wsh h THR 40 Cb 1.13 0.23 -0.31 0.00 -1.73 0.00 0.00 68.15 67.47 1wsh h THR 40 CO 0.47 0.15 -0.53 -0.60 -0.25 0.00 0.00 175.52 174.76 1wsh s ARG 41 N -5.70 0.34 0.00 4.72 3.52 -1.26 -2.81 118.95 117.76 1wsh s ARG 41 Ca -0.10 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1wsh s ARG 41 Cb 0.18 -0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 1wsh s ARG 41 CO 0.77 -0.78 0.00 -2.37 -0.81 0.00 0.00 175.30 172.11 1wsh n THR 42 N 5.35 0.00 -4.15 4.11 5.66 0.18 -4.45 114.28 120.98 1wsh n THR 42 Ca -0.03 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.84 1wsh n THR 42 Cb 0.49 0.00 -0.11 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 -2.16 0.80 0.38 1.09 -4.23 -1.26 -1.48 115.64 108.78 1wsh s THR 43 Ca 0.00 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.02 1wsh s THR 43 Cb 0.00 -1.26 0.30 0.00 1.34 0.00 0.00 72.50 72.88 1wsh s THR 43 CO 0.00 -0.58 1.96 -1.13 -0.54 0.00 0.00 174.62 174.33 1wsh h ASN 44 N 3.65 0.58 -0.01 3.99 -0.00 -1.85 -1.93 115.58 120.02 1wsh h ASN 44 Ca -0.37 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 55.94 1wsh h ASN 44 Cb 1.19 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 39.39 1wsh h ASN 44 CO 0.53 0.36 0.00 0.78 -0.00 0.00 0.00 177.43 179.10 1wsh h ASN 45 N 0.65 0.01 -0.55 1.15 -0.26 -1.96 -0.25 115.58 114.37 1wsh h ASN 45 Ca 0.31 -0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 1wsh h ASN 45 Cb 0.36 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 1wsh h ASN 45 CO -0.10 0.14 0.21 0.03 -1.06 0.00 0.00 177.43 176.65 1wsh h ARG 46 N -0.12 0.88 -0.31 0.81 3.08 -1.86 -2.36 114.38 114.50 1wsh h ARG 46 Ca 0.00 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1wsh h ARG 46 Cb 0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1wsh h ARG 46 CO -0.00 0.74 -0.24 0.52 -1.07 0.00 0.00 179.97 179.92 1wsh h MET 47 N 0.86 0.60 -0.72 0.04 2.86 -1.15 -1.22 114.93 116.20 1wsh h MET 47 Ca 0.20 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1wsh h MET 47 Cb 0.21 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1wsh h MET 47 CO -0.01 0.79 0.26 0.00 1.06 0.00 0.00 176.91 179.01 1wsh h ALA 48 N 1.21 0.94 -0.19 6.32 0.00 -0.55 -1.77 119.26 125.22 1wsh h ALA 48 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1wsh h ALA 48 Cb 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wsh h ALA 48 CO 0.05 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.79 1wsh h LEU 49 N 1.04 0.35 -0.65 0.00 3.38 -1.21 -3.11 115.31 115.12 1wsh h LEU 49 Ca 0.24 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1wsh h LEU 49 Cb 0.25 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1wsh h LEU 49 CO -0.01 0.62 0.27 0.24 0.09 0.00 0.00 178.44 179.65 1wsh h MET 50 N 0.08 0.46 -0.62 1.13 2.86 -1.00 0.19 114.93 118.03 1wsh h MET 50 Ca 0.05 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1wsh h MET 50 Cb 0.46 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1wsh h MET 50 CO 0.02 0.30 0.33 0.00 1.06 0.00 0.00 176.91 178.62 1wsh h ALA 51 N 1.43 0.81 -0.17 6.32 0.00 -1.30 0.98 119.26 127.33 1wsh h ALA 51 Ca 0.33 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1wsh h ALA 51 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wsh h ALA 51 CO -0.30 -0.01 -0.16 0.00 0.00 0.00 0.00 179.25 178.78 1wsh h ALA 52 N 1.33 0.25 0.04 0.00 0.00 -1.24 -3.05 119.26 116.59 1wsh h ALA 52 Ca 0.28 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wsh h ALA 52 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1wsh h ALA 52 CO -0.18 0.14 -0.15 0.82 0.00 0.00 0.00 179.25 179.88 1wsh h ILE 53 N 0.06 0.63 -0.41 0.00 2.04 -0.14 -1.94 117.51 117.76 1wsh h ILE 53 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1wsh h ILE 53 Cb 0.69 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1wsh h ILE 53 CO 0.04 0.00 0.27 0.58 0.00 0.00 0.00 178.15 179.04 1wsh h VAL 54 N -0.28 1.09 -0.46 1.67 2.07 -0.91 -0.70 116.25 118.74 1wsh h VAL 54 Ca 0.04 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wsh h VAL 54 Cb 0.32 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1wsh h VAL 54 CO -0.12 0.10 0.17 0.00 0.02 0.00 0.00 177.57 177.74 1wsh h ALA 55 N 1.15 0.59 -0.57 1.67 0.00 -1.47 -2.53 119.26 118.12 1wsh h ALA 55 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1wsh h ALA 55 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1wsh h ALA 55 CO -0.04 0.21 0.14 -0.07 0.00 0.00 0.00 179.25 179.49 1wsh h LEU 56 N 0.60 0.86 -1.32 0.00 3.38 -1.17 -2.79 115.31 114.85 1wsh h LEU 56 Ca 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wsh h LEU 56 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1wsh h LEU 56 CO -0.01 0.87 0.00 -0.33 0.09 0.00 0.00 178.44 179.06 1wsh h GLU 57 N 0.81 0.00 0.00 1.13 5.08 -1.03 -2.22 114.58 118.36 1wsh h GLU 57 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wsh h GLU 57 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wsh h GLU 57 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1wsh h ALA 58 N 2.08 1.00 -2.67 3.43 0.00 -1.16 -3.44 119.26 118.50 1wsh h ALA 58 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1wsh h ALA 58 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wsh h ALA 58 CO 0.00 0.00 0.56 -0.51 0.00 0.00 0.00 179.25 179.30 1wsh s LEU 59 N -4.74 4.45 0.00 0.00 1.43 -0.84 -4.95 118.68 114.03 1wsh s LEU 59 Ca 0.06 2.25 0.20 0.00 -1.03 0.00 0.00 54.13 55.61 1wsh s LEU 59 Cb 0.10 -3.61 0.50 0.00 0.03 0.00 0.00 46.19 43.21 1wsh s LEU 59 CO 0.48 -0.38 1.42 0.29 0.23 0.00 0.00 176.35 178.39 1wsh n LYS 60 N 2.45 2.62 -3.59 1.70 4.76 -1.26 -4.98 118.16 119.85 1wsh n LYS 60 Ca 0.04 -2.39 -0.10 0.00 -2.87 0.00 0.00 58.31 53.00 1wsh n LYS 60 Cb 0.44 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 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 -1.11 1.44 -0.14 1.97 -1.05 -1.26 -5.11 118.70 113.43 1wsh s GLU 61 Ca 0.40 -0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 54.27 1wsh s GLU 61 Cb 0.21 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 34.43 1wsh s GLU 61 CO 0.29 -0.64 1.94 -1.01 0.95 0.00 0.00 175.26 176.78 1wsh s HIS 62 N -3.76 1.51 0.32 4.83 3.76 -1.26 -4.97 115.29 115.71 1wsh s HIS 62 Ca 0.05 0.21 0.10 0.00 -0.15 0.00 0.00 55.06 55.27 1wsh s HIS 62 Cb -0.03 -4.05 -0.05 0.00 1.11 0.00 0.00 32.58 29.56 1wsh s HIS 62 CO -0.05 -4.19 -0.07 0.00 -0.85 0.00 0.00 174.74 169.58 1wsh s GLU 64 N -3.63 3.29 -0.08 0.00 2.12 0.84 -1.84 118.70 119.39 1wsh s GLU 64 Ca 0.33 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.96 1wsh s GLU 64 Cb -0.02 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 1wsh s GLU 64 CO 0.18 -0.62 -0.16 0.08 -0.54 0.00 0.00 175.26 174.19 1wsh s VAL 65 N 1.85 2.83 -0.41 3.70 1.01 -0.38 -1.48 120.40 127.52 1wsh s VAL 65 Ca 0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1wsh s VAL 65 Cb -0.18 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.17 1wsh s VAL 65 CO 0.11 0.56 0.23 -0.63 0.00 0.00 0.00 175.10 175.37 1wsh s ILE 66 N -0.17 3.91 -0.31 2.22 1.01 -1.03 0.13 121.20 126.97 1wsh s ILE 66 Ca -0.01 -1.58 -0.10 0.00 0.00 0.00 0.00 60.65 58.96 1wsh s ILE 66 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1wsh s ILE 66 CO 0.03 -0.54 0.16 -0.22 0.00 0.00 0.00 174.94 174.38 1wsh s LEU 67 N 1.34 4.10 -0.21 2.97 0.20 -0.57 -1.52 118.68 124.99 1wsh s LEU 67 Ca 0.04 -0.46 -0.12 0.00 0.69 0.00 0.00 54.13 54.27 1wsh s LEU 67 Cb -0.23 -2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 1wsh s LEU 67 CO 0.00 -0.18 0.23 -0.55 -0.29 0.00 0.00 176.35 175.56 1wsh s SER 68 N 1.63 6.25 -0.20 3.68 0.15 -0.12 -0.99 113.70 124.10 1wsh s SER 68 Ca 0.05 0.28 -0.17 0.00 0.70 0.00 0.00 55.95 56.81 1wsh s SER 68 Cb -0.17 -2.14 0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1wsh s SER 68 CO 0.07 0.05 0.52 0.28 1.20 0.00 0.00 173.24 175.36 1wsh s THR 69 N 0.94 -0.00 -2.65 6.45 -1.32 -1.04 -2.29 115.64 115.73 1wsh s THR 69 Ca 0.12 0.01 0.24 0.00 -1.21 0.00 0.00 61.69 60.84 1wsh s THR 69 Cb -0.13 -0.73 0.35 0.00 -1.51 0.00 0.00 72.50 70.48 1wsh s THR 69 CO 0.04 0.00 1.39 -0.90 -2.21 0.00 0.00 174.62 172.95 1wsh n ASP 70 N 3.00 2.96 -4.65 8.08 5.68 -1.17 -3.72 116.55 126.74 1wsh n ASP 70 Ca -0.15 -1.93 -0.43 0.00 -0.50 0.00 0.00 54.79 51.79 1wsh n ASP 70 Cb 0.56 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 1wsh n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1wsh s SER 71 N -1.72 6.67 0.46 -1.12 0.15 -1.26 -4.86 113.70 112.02 1wsh s SER 71 Ca 0.34 1.86 0.25 0.00 0.70 0.00 0.00 55.95 59.10 1wsh s SER 71 Cb 0.21 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 62.57 1wsh s SER 71 CO 0.31 -0.97 1.70 1.56 1.20 0.00 0.00 173.24 177.03 1wsh h GLN 72 N 9.44 0.00 -0.28 5.44 1.08 -1.99 -2.50 115.11 126.31 1wsh h GLN 72 Ca -0.33 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.79 1wsh h GLN 72 Cb 1.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1wsh h GLN 72 CO 0.98 0.03 -0.15 -0.92 -0.95 0.00 0.00 178.83 177.81 1wsh h TYR 73 N 0.00 0.68 -0.33 2.96 3.20 -1.98 -1.91 116.97 119.60 1wsh h TYR 73 Ca -0.00 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 1wsh h TYR 73 Cb 0.90 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1wsh h TYR 73 CO 0.00 0.84 -0.11 0.28 -1.64 0.00 0.00 178.16 177.54 1wsh h VAL 74 N 0.33 1.28 -0.65 1.81 2.07 -1.92 -2.77 116.25 116.41 1wsh h VAL 74 Ca 0.06 -1.18 0.12 0.00 0.82 0.00 0.00 66.70 66.52 1wsh h VAL 74 Cb 0.67 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1wsh h VAL 74 CO 0.04 0.38 0.21 -0.09 0.02 0.00 0.00 177.57 178.14 1wsh h ARG 75 N 0.42 0.35 0.26 1.57 2.43 -1.37 -1.66 114.38 116.38 1wsh h ARG 75 Ca 0.08 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1wsh h ARG 75 Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1wsh h ARG 75 CO 0.04 0.23 -0.13 1.96 -1.51 0.00 0.00 179.97 180.57 1wsh h GLN 76 N 0.36 -0.34 -0.52 0.20 4.20 -1.24 -1.67 115.11 116.12 1wsh h GLN 76 Ca 0.34 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.16 1wsh h GLN 76 Cb 0.49 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1wsh h GLN 76 CO -0.37 -0.12 0.12 0.78 -0.67 0.00 0.00 178.83 178.57 1wsh h GLY 77 N -0.51 0.65 0.93 3.46 0.00 -1.19 0.32 103.07 106.74 1wsh h GLY 77 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1wsh h GLY 77 CO 0.06 -0.06 -0.45 -2.22 0.00 0.00 0.00 176.54 173.87 1wsh h ILE 78 N 0.26 0.00 0.00 2.60 1.08 -1.29 0.55 117.51 120.72 1wsh h ILE 78 Ca 0.26 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1wsh h ILE 78 Cb 0.34 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 1wsh h ILE 78 CO -0.32 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.49 1wsh n THR 79 N -5.59 0.36 0.03 -0.27 -2.24 -0.63 -4.59 114.28 101.36 1wsh n THR 79 Ca -0.16 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wsh n THR 79 Cb 0.49 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.31 0.00 -0.08 -0.78 6.02 0.11 -5.01 117.38 116.33 1wsh n GLN 80 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1wsh n GLN 80 Cb 0.18 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.39 1wsh n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1wsh h TRP 81 N 0.00 0.42 -1.07 1.08 6.55 -1.34 -3.27 115.95 118.32 1wsh h TRP 81 Ca 0.00 -0.06 0.28 0.00 0.95 0.00 0.00 58.89 60.06 1wsh h TRP 81 Cb 0.00 -0.11 -0.09 0.00 -0.86 0.00 0.00 29.16 28.10 1wsh h TRP 81 CO 0.00 0.54 0.70 0.97 -1.05 0.00 0.00 178.44 179.60 1wsh h ILE 82 N 0.18 0.49 0.46 1.49 2.10 -0.16 -0.52 117.51 121.55 1wsh h ILE 82 Ca 0.07 -0.11 -0.02 0.00 1.08 0.00 0.00 64.86 65.88 1wsh h ILE 82 Cb 0.35 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 1wsh h ILE 82 CO 0.01 0.06 -0.22 -0.74 -1.08 0.00 0.00 178.15 176.17 1wsh h HIS 83 N 0.32 -0.57 -0.09 2.19 2.76 -1.78 -2.93 115.15 115.06 1wsh h HIS 83 Ca 0.60 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.77 1wsh h HIS 83 Cb 1.66 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.80 1wsh h HIS 83 CO -0.00 -0.26 0.01 -0.91 -1.30 0.00 0.00 177.93 175.47 1wsh h ASN 84 N -0.85 -0.00 -0.50 3.26 2.35 -1.44 -2.89 115.58 115.51 1wsh h ASN 84 Ca -0.06 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1wsh h ASN 84 Cb 0.57 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.86 1wsh h ASN 84 CO 0.10 0.01 -0.27 -0.50 -1.65 0.00 0.00 177.43 175.12 1wsh h TRP 85 N 0.05 -0.73 -0.80 1.19 6.55 -1.18 -1.22 115.95 119.81 1wsh h TRP 85 Ca 0.04 0.06 0.02 0.00 0.95 0.00 0.00 58.89 59.96 1wsh h TRP 85 Cb 0.03 0.40 -0.04 0.00 -0.86 0.00 0.00 29.16 28.68 1wsh h TRP 85 CO -0.11 -0.35 0.52 0.87 -1.05 0.00 0.00 178.44 178.33 1wsh h LYS 86 N -0.16 1.02 -0.50 0.49 1.57 -1.45 0.51 116.57 118.05 1wsh h LYS 86 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1wsh h LYS 86 Cb 0.51 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1wsh h LYS 86 CO -0.59 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1wsh n ALA 87 N -2.33 1.98 -1.89 3.86 0.00 -0.48 -2.06 120.51 119.61 1wsh n ALA 87 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1wsh n ALA 87 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.04 0.00 -3.40 0.00 1.74 -0.58 -4.99 116.66 109.47 1wsh n ARG 88 Ca 0.00 -0.63 -0.21 0.00 -0.77 0.00 0.00 57.85 56.24 1wsh n ARG 88 Cb 0.12 -0.34 0.07 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.00 -0.35 3.26 -0.13 0.00 -0.87 -3.51 105.19 103.59 1wsh n GLY 89 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.65 -2.73 -3.84 1.61 7.02 0.17 -5.00 117.44 110.02 1wsh n TRP 90 Ca -0.00 1.06 -0.12 0.00 -1.02 0.00 0.00 57.50 57.42 1wsh n TRP 90 Cb 0.56 -3.75 -0.11 0.00 -2.42 0.00 0.00 31.31 25.59 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 -3.53 0.41 0.00 -0.99 1.02 -1.23 -4.33 119.74 111.10 1wsh s LYS 91 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1wsh s LYS 91 Cb -0.00 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1wsh s LYS 91 CO 0.79 -0.09 0.00 0.25 -0.92 0.00 0.00 175.35 175.38 1wsh n THR 92 N 1.98 0.00 0.62 2.17 -2.24 0.33 -4.64 114.28 112.49 1wsh n THR 92 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1wsh n THR 92 Cb 0.57 -0.06 0.28 0.00 -2.10 0.00 0.00 70.33 69.02 1wsh n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsh n ALA 93 N -3.00 2.67 -1.26 6.98 0.00 -1.26 -3.59 120.51 121.04 1wsh n ALA 93 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1wsh n ALA 93 Cb 0.00 -1.30 0.22 0.00 0.00 0.00 0.00 19.45 18.37 1wsh n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wsh n ASP 94 N -2.14 3.41 -0.87 0.00 8.00 -1.26 -4.90 116.55 118.79 1wsh n ASP 94 Ca 0.04 -3.53 -0.11 0.00 0.71 0.00 0.00 54.79 51.90 1wsh n ASP 94 Cb 0.43 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.88 -1.69 -3.75 -1.24 4.76 -1.24 -4.95 118.16 109.18 1wsh n LYS 95 Ca 0.40 0.87 -0.31 0.00 -2.87 0.00 0.00 58.31 56.40 1wsh n LYS 95 Cb 1.24 -5.25 -0.04 0.00 -1.84 0.00 0.00 35.03 29.14 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 -2.89 3.55 0.58 1.97 1.02 -1.26 -4.78 119.74 117.92 1wsh s LYS 96 Ca 0.00 -0.23 -0.19 0.00 0.02 0.00 0.00 55.97 55.57 1wsh s LYS 96 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 1wsh s LYS 96 CO 0.00 0.50 0.84 -2.30 -0.92 0.00 0.00 175.35 173.47 1wsh n PRO 97 N 0.03 0.80 -3.65 -1.68 -0.02 -1.26 0.12 135.00 129.34 1wsh n PRO 97 Ca -0.03 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 1wsh n PRO 97 Cb 0.52 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.56 5.24 0.34 -1.45 -7.23 -1.26 -4.47 120.40 110.00 1wsh s VAL 98 Ca 0.73 0.58 -0.28 0.00 -1.81 0.00 0.00 61.98 61.19 1wsh s VAL 98 Cb -0.43 -3.59 -0.10 0.00 0.56 0.00 0.00 36.38 32.82 1wsh s VAL 98 CO 0.49 0.58 1.34 -1.59 -0.31 0.00 0.00 175.10 175.61 1wsh s LYS 99 N -0.90 4.30 -1.40 4.82 0.00 -1.26 -2.74 119.74 122.56 1wsh s LYS 99 Ca 0.20 2.27 -0.01 0.00 0.00 0.00 0.00 55.97 58.44 1wsh s LYS 99 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 37.83 34.64 1wsh s LYS 99 CO 0.09 -0.26 0.07 0.09 0.00 0.00 0.00 175.35 175.35 1wsh n ASN 100 N 0.71 -4.98 0.25 0.03 3.02 -1.26 -4.88 115.26 108.16 1wsh n ASN 100 Ca 0.00 -0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.58 1wsh n ASN 100 Cb 0.41 -4.04 0.62 0.00 -0.61 0.00 0.00 39.78 36.17 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 -0.17 1.00 -0.81 2.41 3.04 -1.90 -0.32 116.25 119.50 1wsh h VAL 101 Ca -0.40 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 1wsh h VAL 101 Cb 1.29 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 1wsh h VAL 101 CO 0.47 0.04 0.46 -2.24 -1.01 0.00 0.00 177.57 175.29 1wsh h ASP 102 N 0.00 1.00 0.12 3.17 2.03 -1.90 -0.98 116.42 119.86 1wsh h ASP 102 Ca -0.00 -0.07 -0.27 0.00 -0.73 0.00 0.00 57.03 55.96 1wsh h ASP 102 Cb 0.07 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.32 1wsh h ASP 102 CO 0.01 0.79 -1.37 -0.07 -1.03 0.00 0.00 179.24 177.57 1wsh h LEU 103 N 1.13 0.39 -1.30 0.15 3.38 -1.71 -3.15 115.31 114.20 1wsh h LEU 103 Ca 0.29 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.44 1wsh h LEU 103 Cb -0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1wsh h LEU 103 CO -0.05 1.60 0.50 -0.50 0.09 0.00 0.00 178.44 180.08 1wsh h TRP 104 N -0.31 0.87 -0.44 1.13 4.06 -1.05 0.22 115.95 120.42 1wsh h TRP 104 Ca -0.29 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.55 1wsh h TRP 104 Cb 1.75 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 29.61 1wsh h TRP 104 CO 0.13 0.49 -0.25 1.96 -3.56 0.00 0.00 178.44 177.21 1wsh h GLN 105 N 0.89 0.93 -0.46 0.49 4.20 -1.31 0.11 115.11 119.96 1wsh h GLN 105 Ca 0.31 -0.41 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1wsh h GLN 105 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1wsh h GLN 105 CO -0.10 1.07 -0.22 0.00 -0.67 0.00 0.00 178.83 178.92 1wsh h ARG 106 N 0.80 0.93 -0.33 1.46 3.08 -1.21 -0.76 114.38 118.35 1wsh h ARG 106 Ca 0.10 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.62 1wsh h ARG 106 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1wsh h ARG 106 CO 0.07 1.05 -0.34 1.25 -1.07 0.00 0.00 179.97 180.93 1wsh h LEU 107 N 0.80 0.79 -0.74 3.04 5.85 -0.46 -1.77 115.31 122.82 1wsh h LEU 107 Ca 0.11 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 1wsh h LEU 107 Cb 0.78 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1wsh h LEU 107 CO 0.06 1.06 0.09 -0.78 -0.34 0.00 0.00 178.44 178.53 1wsh h ASP 108 N 0.63 1.00 -0.27 1.25 1.82 -0.58 -1.34 116.42 118.93 1wsh h ASP 108 Ca 0.06 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.44 1wsh h ASP 108 Cb 0.88 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1wsh h ASP 108 CO 0.08 1.01 0.06 0.00 -1.61 0.00 0.00 179.24 178.77 1wsh h ALA 109 N 1.11 0.35 -0.56 -0.78 0.00 -0.95 -2.64 119.26 115.78 1wsh h ALA 109 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wsh h ALA 109 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wsh h ALA 109 CO 0.01 0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.56 1wsh h ALA 110 N 0.88 1.43 -0.08 0.00 0.00 -1.11 -1.90 119.26 118.48 1wsh h ALA 110 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1wsh h ALA 110 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wsh h ALA 110 CO 0.00 0.46 -0.30 -0.07 0.00 0.00 0.00 179.25 179.34 1wsh h LEU 111 N 0.79 0.14 -0.06 0.00 3.38 -1.05 -2.07 115.31 116.44 1wsh h LEU 111 Ca 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wsh h LEU 111 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wsh h LEU 111 CO -0.03 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1wsh n GLY 112 N -0.53 -1.20 0.09 0.83 0.00 -0.72 -2.91 105.19 100.75 1wsh n GLY 112 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.02 1.61 1.08 -1.28 -3.48 115.11 108.01 1wsh h GLN 113 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1wsh h GLN 113 Cb 0.35 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.65 1wsh h GLN 113 CO 0.00 0.40 -0.57 -1.01 -0.95 0.00 0.00 178.83 176.70 1wsh s HIS 114 N -2.81 1.74 -0.52 2.96 3.76 -1.14 -4.40 115.29 114.87 1wsh s HIS 114 Ca -0.03 -1.20 -0.16 0.00 -0.15 0.00 0.00 55.06 53.53 1wsh s HIS 114 Cb 0.08 -1.07 0.11 0.00 1.11 0.00 0.00 32.58 32.81 1wsh s HIS 114 CO 0.81 -0.28 0.47 -1.14 -0.85 0.00 0.00 174.74 173.76 1wsh s GLN 115 N -3.85 2.99 -0.15 1.40 0.74 -0.77 -4.85 119.66 115.17 1wsh s GLN 115 Ca 0.33 -1.58 -0.13 0.00 0.05 0.00 0.00 55.36 54.04 1wsh s GLN 115 Cb 0.06 -4.24 -0.05 0.00 1.10 0.00 0.00 33.01 29.88 1wsh s GLN 115 CO 0.15 -1.24 0.26 0.42 -0.55 0.00 0.00 175.29 174.34 1wsh s ILE 116 N 1.65 5.32 -0.30 -2.34 -1.09 -1.26 -1.24 121.20 121.93 1wsh s ILE 116 Ca 0.04 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1wsh s ILE 116 Cb -0.28 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1wsh s ILE 116 CO 0.04 0.44 -0.00 -0.75 -1.23 0.00 0.00 174.94 173.44 1wsh s LYS 117 N 0.16 2.23 0.19 2.79 2.20 0.12 -4.98 119.74 122.45 1wsh s LYS 117 Ca 0.16 -1.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.07 1wsh s LYS 117 Cb -0.13 -3.15 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 1wsh s LYS 117 CO 0.04 -0.69 0.89 -1.58 -0.36 0.00 0.00 175.35 173.65 1wsh s TRP 118 N 1.16 3.93 -0.37 4.03 0.52 -1.26 -1.51 118.94 125.44 1wsh s TRP 118 Ca -0.03 1.80 0.03 0.00 0.02 0.00 0.00 56.10 57.92 1wsh s TRP 118 Cb -0.20 -2.93 0.11 0.00 -1.15 0.00 0.00 33.47 29.30 1wsh s TRP 118 CO -0.03 0.43 0.10 -1.21 0.02 0.00 0.00 176.95 176.25 1wsh s GLU 119 N -0.94 1.61 0.00 4.98 0.41 -0.16 -4.92 118.70 119.67 1wsh s GLU 119 Ca 0.40 -1.96 -0.03 0.00 -0.41 0.00 0.00 54.97 52.97 1wsh s GLU 119 Cb -0.25 -3.27 -0.14 0.00 -1.78 0.00 0.00 34.13 28.70 1wsh s GLU 119 CO 0.30 -0.98 2.62 0.91 -0.49 0.00 0.00 175.26 177.62 1wsh n TRP 120 N 4.15 0.00 0.00 1.61 5.03 -1.26 -2.49 117.44 124.48 1wsh n TRP 120 Ca 0.03 -1.13 0.00 0.00 3.03 0.00 0.00 57.50 59.43 1wsh n TRP 120 Cb 0.41 -1.04 0.00 0.00 -1.03 0.00 0.00 31.31 29.65 1wsh n TRP 120 CO 0.00 0.00 0.00 1.33 -0.03 0.00 0.00 177.69 178.99 1wsh n VAL 121 N 2.14 0.00 0.00 -0.99 0.24 -1.24 -4.87 118.33 113.61 1wsh n VAL 121 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1wsh n VAL 121 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1wsh n VAL 121 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1wsh n HIS 127 N 0.00 0.00 -0.43 6.34 -0.00 -1.26 -3.06 115.22 116.81 1wsh n HIS 127 Ca 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 57.72 58.08 1wsh n HIS 127 Cb 0.00 0.00 0.65 0.00 -0.00 0.00 0.00 29.99 30.64 1wsh n HIS 127 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wsh h PRO 128 N 0.00 0.12 -0.22 1.57 0.11 -2.07 -0.02 132.00 131.49 1wsh h PRO 128 Ca 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 1wsh h PRO 128 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1wsh h PRO 128 CO 0.00 0.08 -0.41 0.93 -0.21 0.00 0.00 178.00 178.39 1wsh h GLU 129 N 0.13 0.67 0.00 1.05 4.39 -2.05 -3.08 114.58 115.70 1wsh h GLU 129 Ca 0.76 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1wsh h GLU 129 Cb 2.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.16 1wsh h GLU 129 CO -0.31 1.04 0.00 -0.91 -1.16 0.00 0.00 179.01 177.67 1wsh h ASN 130 N 0.38 0.00 -0.72 1.42 4.21 -1.41 -3.05 115.58 116.41 1wsh h ASN 130 Ca 0.01 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 1wsh h ASN 130 Cb 1.01 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.18 1wsh h ASN 130 CO 0.09 0.00 0.32 -0.33 -1.29 0.00 0.00 177.43 176.22 1wsh h GLU 131 N 0.00 1.06 -0.27 0.81 5.08 -1.33 -1.95 114.58 117.97 1wsh h GLU 131 Ca 0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1wsh h GLU 131 Cb 0.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1wsh h GLU 131 CO 0.00 0.85 0.06 -0.09 -1.00 0.00 0.00 179.01 178.83 1wsh h ARG 132 N 1.02 0.44 -0.89 2.33 9.65 -1.63 -2.54 114.38 122.76 1wsh h ARG 132 Ca 0.24 -0.11 0.08 0.00 -1.10 0.00 0.00 59.98 59.09 1wsh h ARG 132 Cb 0.17 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 1wsh h ARG 132 CO -0.03 0.54 0.55 0.00 2.80 0.00 0.00 179.97 183.83 1wsh h ASP 134 N 0.96 1.02 -0.17 0.00 3.58 -1.14 0.26 116.42 120.93 1wsh h ASP 134 Ca 0.41 -0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.62 1wsh h ASP 134 Cb 0.27 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.07 1wsh h ASP 134 CO -0.21 0.74 -0.73 -0.33 -2.88 0.00 0.00 179.24 175.83 1wsh h GLU 135 N 1.20 0.79 -0.72 0.28 5.08 -0.65 -1.69 114.58 118.87 1wsh h GLU 135 Ca 0.33 -0.63 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1wsh h GLU 135 Cb -0.13 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1wsh h GLU 135 CO -0.07 1.24 0.19 -0.07 -1.00 0.00 0.00 179.01 179.30 1wsh h LEU 136 N 0.53 1.07 -0.24 1.33 3.38 -0.28 0.54 115.31 121.64 1wsh h LEU 136 Ca -0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1wsh h LEU 136 Cb 1.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1wsh h LEU 136 CO 0.15 1.02 0.01 0.00 0.09 0.00 0.00 178.44 179.71 1wsh h ALA 137 N 1.12 0.33 -0.62 1.53 0.00 -0.92 -0.98 119.26 119.71 1wsh h ALA 137 Ca 0.23 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wsh h ALA 137 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1wsh h ALA 137 CO -0.00 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.38 1wsh h ARG 138 N 0.20 1.03 -0.66 0.00 3.08 -1.16 -0.62 114.38 116.24 1wsh h ARG 138 Ca 0.07 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 1wsh h ARG 138 Cb 0.39 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1wsh h ARG 138 CO 0.01 0.96 0.19 0.00 -1.07 0.00 0.00 179.97 180.06 1wsh h ALA 139 N 1.12 1.08 -0.33 0.04 0.00 -0.76 -2.12 119.26 118.30 1wsh h ALA 139 Ca 0.19 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1wsh h ALA 139 Cb 0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wsh h ALA 139 CO 0.01 0.62 -0.34 0.00 0.00 0.00 0.00 179.25 179.54 1wsh h ALA 140 N 1.22 0.48 0.00 0.00 0.00 -0.81 -2.85 119.26 117.29 1wsh h ALA 140 Ca 0.22 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1wsh h ALA 140 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wsh h ALA 140 CO -0.01 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 1wsh h ALA 141 N 0.73 1.85 -0.01 0.00 0.00 -0.85 -1.33 119.26 119.65 1wsh h ALA 141 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wsh h ALA 141 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wsh h ALA 141 CO 0.08 0.06 -0.01 -1.33 0.00 0.00 0.00 179.25 178.05 1wsh n MET 142 N -4.38 1.50 -2.99 0.00 2.81 -0.82 -4.17 117.12 109.07 1wsh n MET 142 Ca -0.03 -0.75 -0.14 0.00 -1.81 0.00 0.00 57.70 54.97 1wsh n MET 142 Cb 0.13 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.10 -0.59 -4.76 7.83 4.05 -0.53 -5.08 115.26 116.08 1wsh n ASN 143 Ca 0.20 -3.31 -0.41 0.00 0.45 0.00 0.00 54.58 51.51 1wsh n ASN 143 Cb 0.30 0.51 -0.02 0.00 1.23 0.00 0.00 39.78 41.81 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 -1.21 4.21 0.00 1.20 0.04 -1.04 -4.64 135.00 133.56 1wsh s PRO 144 Ca 0.32 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1wsh s PRO 144 Cb 0.32 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1wsh s PRO 144 CO -0.07 -0.46 0.14 0.25 0.04 0.00 0.00 177.00 176.91 1wsh n THR 145 N 1.66 0.00 -4.25 1.26 -2.24 -0.60 -4.85 114.28 105.25 1wsh n THR 145 Ca 0.05 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1wsh n THR 145 Cb 0.40 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.71 1.98 -0.10 3.22 1.43 -0.82 -5.02 118.68 118.66 1wsh s LEU 146 Ca 0.00 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.84 1wsh s LEU 146 Cb 0.00 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1wsh s LEU 146 CO 0.00 -0.61 0.05 -0.70 0.23 0.00 0.00 176.35 175.32 1wsh s GLU 147 N -3.95 3.15 -1.16 1.70 2.12 -1.26 -1.01 118.70 118.29 1wsh s GLU 147 Ca 0.27 -0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 1wsh s GLU 147 Cb 0.06 -2.93 0.23 0.00 0.26 0.00 0.00 34.13 31.76 1wsh s GLU 147 CO 0.06 0.73 1.26 -3.47 -0.54 0.00 0.00 175.26 173.30 1wsh n ASP 148 N 2.09 5.41 -0.23 -1.70 4.64 -1.26 -4.85 116.55 120.65 1wsh n ASP 148 Ca -0.19 -3.02 0.11 0.00 -1.38 0.00 0.00 54.79 50.31 1wsh n ASP 148 Cb 0.54 -1.46 0.40 0.00 -1.04 0.00 0.00 41.12 39.56 1wsh n ASP 148 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1wsh h THR 149 N 4.06 0.88 0.00 5.18 1.35 -1.96 -1.53 112.91 120.88 1wsh h THR 149 Ca 0.24 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1wsh h THR 149 Cb 0.87 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1wsh h THR 149 CO 1.12 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 1wsh n GLY 150 N -1.45 -0.77 3.70 5.82 0.00 -1.26 -4.69 105.19 106.54 1wsh n GLY 150 Ca 0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.03 3.59 -0.45 1.61 6.14 -0.58 -4.86 117.35 119.77 1wsh s TYR 151 Ca 0.03 1.52 -0.17 0.00 0.64 0.00 0.00 57.07 59.10 1wsh s TYR 151 Cb 0.05 -3.04 0.04 0.00 0.42 0.00 0.00 41.96 39.43 1wsh s TYR 151 CO 0.14 -0.05 0.45 -0.65 0.64 0.00 0.00 175.55 176.09 1wsh s GLN 152 N 1.25 3.05 0.18 4.97 -0.21 -1.26 -5.03 119.66 122.61 1wsh s GLN 152 Ca 0.46 -0.98 -0.31 0.00 0.02 0.00 0.00 55.36 54.55 1wsh s GLN 152 Cb -0.19 -4.04 -0.16 0.00 1.00 0.00 0.00 33.01 29.61 1wsh s GLN 152 CO 0.22 -0.97 0.90 1.33 -2.12 0.00 0.00 175.29 174.65 1wsh n VAL 153 N 5.38 1.35 -0.50 1.09 0.24 -1.26 -5.13 118.33 119.50 1wsh n VAL 153 Ca -0.09 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1wsh n VAL 153 Cb 0.46 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1wsh n VAL 153 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07