#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 1.52 -4.26 3.23 5.02 -1.26 -4.57 118.16 117.84 1wsh n LYS 3 Ca 0.00 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.49 1wsh n LYS 3 Cb 0.00 -2.10 -0.12 0.00 -0.02 0.00 0.00 35.03 32.80 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 -1.96 3.73 0.07 1.97 -0.21 -1.26 -0.37 119.66 121.62 1wsh s GLN 4 Ca 0.61 -0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.51 1wsh s GLN 4 Cb -0.57 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 1wsh s GLN 4 CO 0.58 0.21 -0.03 0.14 -2.12 0.00 0.00 175.29 174.07 1wsh s VAL 5 N 0.47 0.31 -0.03 1.09 -7.23 -0.75 -4.50 120.40 109.76 1wsh s VAL 5 Ca -0.02 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1wsh s VAL 5 Cb -0.14 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1wsh s VAL 5 CO 0.02 -0.93 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.07 1wsh s GLU 6 N -3.91 1.84 -0.04 4.82 8.01 -0.39 -2.32 118.70 126.70 1wsh s GLU 6 Ca 0.09 -0.74 0.04 0.00 0.01 0.00 0.00 54.97 54.37 1wsh s GLU 6 Cb 0.07 -1.70 -0.00 0.00 -4.31 0.00 0.00 34.13 28.20 1wsh s GLU 6 CO -0.08 0.39 -0.16 0.42 0.01 0.00 0.00 175.26 175.85 1wsh s ILE 7 N -0.32 1.31 -0.04 -1.63 1.01 -0.46 -0.45 121.20 120.61 1wsh s ILE 7 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1wsh s ILE 7 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1wsh s ILE 7 CO 0.01 0.38 -0.23 -0.36 0.00 0.00 0.00 174.94 174.74 1wsh s PHE 8 N 0.09 2.20 0.03 3.97 0.08 -0.42 -0.25 117.98 123.68 1wsh s PHE 8 Ca -0.04 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.41 1wsh s PHE 8 Cb -0.11 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1wsh s PHE 8 CO 0.02 -0.15 0.02 0.95 -0.10 0.00 0.00 175.22 175.96 1wsh s THR 9 N -0.25 0.14 -0.16 0.64 -4.23 -0.47 -1.29 115.64 110.03 1wsh s THR 9 Ca 0.00 -1.19 -0.28 0.00 -1.18 0.00 0.00 61.69 59.04 1wsh s THR 9 Cb -0.12 -0.79 0.07 0.00 1.34 0.00 0.00 72.50 73.00 1wsh s THR 9 CO 0.02 -0.66 0.73 -0.62 -0.54 0.00 0.00 174.62 173.55 1wsh s ASP 10 N -2.04 -0.68 0.06 3.99 -1.08 -0.59 -4.24 116.67 112.09 1wsh s ASP 10 Ca -0.07 1.01 0.07 0.00 -0.52 0.00 0.00 52.55 53.05 1wsh s ASP 10 Cb -0.02 0.93 -0.03 0.00 -1.46 0.00 0.00 42.92 42.34 1wsh s ASP 10 CO -0.04 -0.43 -0.20 -0.83 0.52 0.00 0.00 175.17 174.19 1wsh s GLY 11 N -0.47 1.11 0.01 2.66 0.00 -1.26 -1.28 107.32 108.09 1wsh s GLY 11 Ca -0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 1wsh s GLY 11 CO 0.05 -1.04 0.02 -0.45 0.00 0.00 0.00 173.10 171.68 1wsh s SER 12 N -1.39 0.15 -0.13 1.64 0.15 0.11 -4.75 113.70 109.48 1wsh s SER 12 Ca 0.06 -0.36 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 1wsh s SER 12 Cb -0.09 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1wsh s SER 12 CO 0.02 -0.28 0.35 0.00 1.20 0.00 0.00 173.24 174.53 1wsh n LEU 14 N 2.96 0.54 0.00 0.00 4.77 -0.01 -4.92 117.00 120.34 1wsh n LEU 14 Ca -0.13 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1wsh n LEU 14 Cb 0.57 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1wsh n LEU 14 CO 0.15 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1wsh n GLY 15 N 1.40 4.21 2.65 -0.72 0.00 -1.26 -4.94 105.19 106.53 1wsh n GLY 15 Ca 0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.80 -2.58 -4.94 1.61 5.15 -1.26 -4.08 115.26 108.37 1wsh n ASN 16 Ca 0.00 -2.89 -0.24 0.00 -0.60 0.00 0.00 54.58 50.85 1wsh n ASN 16 Cb 0.00 1.20 0.03 0.00 -0.53 0.00 0.00 39.78 40.48 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 0.55 2.83 0.01 1.20 0.04 -1.26 -5.02 135.00 133.34 1wsh s PRO 17 Ca 0.31 -0.32 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 1wsh s PRO 17 Cb 0.07 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 32.28 1wsh s PRO 17 CO -0.12 -0.62 0.83 0.41 0.04 0.00 0.00 177.00 177.54 1wsh n GLY 18 N -2.42 0.43 3.67 0.56 0.00 -0.38 -4.86 105.19 102.20 1wsh n GLY 18 Ca 0.04 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.60 1.98 -4.10 1.61 -0.02 -0.95 -1.17 135.00 131.76 1wsh n PRO 19 Ca 0.02 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.07 1wsh n PRO 19 Cb 0.39 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.24 1.38 0.15 -1.23 0.00 -0.27 -0.83 107.32 106.76 1wsh s GLY 20 Ca 0.68 -1.47 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 1wsh s GLY 20 CO 0.50 -1.01 0.87 -0.32 0.00 0.00 0.00 173.10 173.14 1wsh s GLY 21 N -3.20 -0.27 0.16 0.20 0.00 0.26 -0.02 107.32 104.44 1wsh s GLY 21 Ca 0.31 0.21 0.05 0.00 0.00 0.00 0.00 44.72 45.28 1wsh s GLY 21 CO 0.18 0.05 -0.10 -2.52 0.00 0.00 0.00 173.10 170.71 1wsh s TYR 22 N -3.43 1.32 -0.06 1.90 -0.85 -0.88 -0.71 117.35 114.63 1wsh s TYR 22 Ca 0.10 -0.76 -0.05 0.00 -0.52 0.00 0.00 57.07 55.84 1wsh s TYR 22 Cb -0.02 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.67 1wsh s TYR 22 CO 0.00 0.09 0.16 0.20 -1.52 0.00 0.00 175.55 174.49 1wsh s GLY 23 N -3.19 -0.10 0.00 5.49 0.00 -0.40 -2.97 107.32 106.15 1wsh s GLY 23 Ca 0.18 0.52 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 1wsh s GLY 23 CO 0.02 0.56 0.26 0.00 0.00 0.00 0.00 173.10 173.93 1wsh s ALA 24 N 0.37 -0.63 -0.06 3.20 0.00 0.13 -1.55 121.76 123.23 1wsh s ALA 24 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1wsh s ALA 24 Cb -0.04 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1wsh s ALA 24 CO -0.02 -0.27 -0.12 0.42 0.00 0.00 0.00 175.76 175.77 1wsh s ILE 25 N -1.58 1.08 -0.16 0.00 1.01 -0.41 -0.64 121.20 120.49 1wsh s ILE 25 Ca -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1wsh s ILE 25 Cb -0.05 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 1wsh s ILE 25 CO 0.02 0.34 -0.13 -0.22 0.00 0.00 0.00 174.94 174.95 1wsh s LEU 26 N 0.56 2.59 -0.04 2.97 2.96 0.69 -1.30 118.68 127.11 1wsh s LEU 26 Ca -0.12 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1wsh s LEU 26 Cb -0.14 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 1wsh s LEU 26 CO 0.03 0.08 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.37 1wsh s ARG 27 N 0.86 1.74 -0.09 1.98 3.52 0.40 -0.05 118.95 127.32 1wsh s ARG 27 Ca -0.04 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 54.95 1wsh s ARG 27 Cb -0.15 -1.52 0.04 0.00 -1.56 0.00 0.00 34.95 31.76 1wsh s ARG 27 CO -0.00 0.23 0.04 -0.47 -0.81 0.00 0.00 175.30 174.29 1wsh s TYR 28 N 0.05 0.46 -1.62 5.12 6.14 -0.05 -1.26 117.35 126.19 1wsh s TYR 28 Ca -0.04 -0.14 -0.16 0.00 0.64 0.00 0.00 57.07 57.37 1wsh s TYR 28 Cb -0.11 -0.72 0.12 0.00 0.42 0.00 0.00 41.96 41.67 1wsh s TYR 28 CO 0.02 -0.35 0.86 0.54 0.64 0.00 0.00 175.55 177.26 1wsh n ARG 29 N 5.20 -4.20 0.00 4.97 5.12 -1.26 -0.83 116.66 125.65 1wsh n ARG 29 Ca -0.06 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1wsh n ARG 29 Cb 0.49 -5.25 0.00 0.00 -1.16 0.00 0.00 32.46 26.55 1wsh n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wsh n GLY 30 N -1.55 3.02 3.71 -0.13 0.00 -1.26 -5.02 105.19 103.96 1wsh n GLY 30 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.27 4.49 -0.06 1.61 3.00 -0.01 -5.03 118.95 122.68 1wsh s ARG 31 Ca 0.00 1.59 0.03 0.00 0.00 0.00 0.00 55.73 57.35 1wsh s ARG 31 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.52 1wsh s ARG 31 CO 0.00 -0.16 -0.15 -1.21 0.00 0.00 0.00 175.30 173.77 1wsh s GLU 32 N 1.09 2.65 -0.10 3.54 2.02 -1.26 -0.88 118.70 125.76 1wsh s GLU 32 Ca 0.55 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.84 1wsh s GLU 32 Cb -0.25 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 1wsh s GLU 32 CO 0.28 0.53 -0.16 0.15 0.02 0.00 0.00 175.26 176.08 1wsh s LYS 33 N -0.49 3.10 0.01 1.61 1.02 0.93 -4.96 119.74 120.97 1wsh s LYS 33 Ca 0.06 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1wsh s LYS 33 Cb -0.12 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1wsh s LYS 33 CO 0.02 0.29 -0.09 0.99 -0.92 0.00 0.00 175.35 175.63 1wsh s THR 34 N 0.12 3.44 0.00 2.17 2.01 -1.26 -0.22 115.64 121.91 1wsh s THR 34 Ca -0.08 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wsh s THR 34 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1wsh s THR 34 CO 0.05 0.39 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.94 1wsh s PHE 35 N -0.97 0.62 -0.21 4.92 0.08 0.19 -4.99 117.98 117.61 1wsh s PHE 35 Ca 0.16 -0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.78 1wsh s PHE 35 Cb -0.11 -0.39 0.13 0.00 -0.57 0.00 0.00 43.02 42.08 1wsh s PHE 35 CO 0.07 -0.01 1.04 -1.54 -0.10 0.00 0.00 175.22 174.67 1wsh s SER 36 N -0.31 -0.37 -0.13 1.36 1.04 -1.26 -0.69 113.70 113.34 1wsh s SER 36 Ca 0.01 0.53 -0.29 0.00 0.48 0.00 0.00 55.95 56.68 1wsh s SER 36 Cb -0.03 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1wsh s SER 36 CO -0.00 -0.26 0.77 0.00 0.98 0.00 0.00 173.24 174.73 1wsh s ALA 37 N -0.63 -1.82 -0.01 5.32 0.00 -1.16 -4.99 121.76 118.48 1wsh s ALA 37 Ca 0.01 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.59 1wsh s ALA 37 Cb -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1wsh s ALA 37 CO -0.02 -0.34 -0.20 0.20 0.00 0.00 0.00 175.76 175.40 1wsh s GLY 38 N -0.73 1.46 0.04 0.00 0.00 -1.26 -2.08 107.32 104.75 1wsh s GLY 38 Ca -0.06 -1.11 0.09 0.00 0.00 0.00 0.00 44.72 43.64 1wsh s GLY 38 CO 0.05 -0.94 -0.26 -0.19 0.00 0.00 0.00 173.10 171.76 1wsh s TYR 39 N -0.76 2.34 0.24 1.90 1.51 0.97 -1.39 117.35 122.16 1wsh s TYR 39 Ca 0.12 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1wsh s TYR 39 Cb -0.10 -1.41 0.27 0.00 -0.11 0.00 0.00 41.96 40.61 1wsh s TYR 39 CO 0.02 0.12 1.71 1.79 -1.11 0.00 0.00 175.55 178.08 1wsh h THR 40 N 4.23 1.25 -2.65 -0.71 1.35 -1.29 -0.71 112.91 114.38 1wsh h THR 40 Ca -0.46 -1.11 -0.37 0.00 -0.55 0.00 0.00 66.41 63.91 1wsh h THR 40 Cb 1.14 0.97 -0.37 0.00 -1.73 0.00 0.00 68.15 68.16 1wsh h THR 40 CO 0.44 0.39 -0.67 -0.60 -0.25 0.00 0.00 175.52 174.83 1wsh s ARG 41 N -4.87 0.17 0.00 4.72 3.52 -1.26 -2.23 118.95 118.99 1wsh s ARG 41 Ca -0.10 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1wsh s ARG 41 Cb 0.14 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 1wsh s ARG 41 CO 0.82 -0.71 0.00 -2.37 -0.81 0.00 0.00 175.30 172.23 1wsh n THR 42 N 5.30 0.00 -4.19 4.11 5.66 -0.32 -4.33 114.28 120.52 1wsh n THR 42 Ca -0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.83 1wsh n THR 42 Cb 0.49 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 -2.54 0.80 0.23 1.09 -4.23 -1.26 -1.24 115.64 108.49 1wsh s THR 43 Ca 0.00 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1wsh s THR 43 Cb 0.00 -1.71 0.19 0.00 1.34 0.00 0.00 72.50 72.33 1wsh s THR 43 CO 0.00 -0.84 1.88 -1.13 -0.54 0.00 0.00 174.62 173.99 1wsh h ASN 44 N 2.95 0.89 -0.22 3.99 -1.24 -1.85 -2.01 115.58 118.09 1wsh h ASN 44 Ca -0.36 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 56.67 1wsh h ASN 44 Cb 1.17 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.00 1wsh h ASN 44 CO 0.64 0.62 0.08 0.78 -1.29 0.00 0.00 177.43 178.26 1wsh h ASN 45 N 1.05 0.10 -0.62 1.15 -0.26 -1.96 -1.27 115.58 113.77 1wsh h ASN 45 Ca 0.33 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 56.01 1wsh h ASN 45 Cb -0.01 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1wsh h ASN 45 CO -0.11 0.09 0.09 0.03 -1.06 0.00 0.00 177.43 176.47 1wsh h ARG 46 N 0.19 1.05 -0.58 0.81 3.08 -1.89 -2.55 114.38 114.49 1wsh h ARG 46 Ca 0.10 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1wsh h ARG 46 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1wsh h ARG 46 CO -0.09 0.97 0.09 0.52 -1.07 0.00 0.00 179.97 180.38 1wsh h MET 47 N 0.98 0.93 -0.90 0.04 2.86 -1.13 0.11 114.93 117.83 1wsh h MET 47 Ca 0.19 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1wsh h MET 47 Cb 0.44 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1wsh h MET 47 CO 0.01 0.87 0.48 0.00 1.06 0.00 0.00 176.91 179.33 1wsh h ALA 48 N 1.21 1.15 -0.17 6.32 0.00 -0.97 -0.93 119.26 125.87 1wsh h ALA 48 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wsh h ALA 48 Cb 0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wsh h ALA 48 CO 0.01 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.70 1wsh h LEU 49 N 1.26 0.44 -1.18 0.00 3.38 -1.05 -3.17 115.31 114.99 1wsh h LEU 49 Ca 0.31 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1wsh h LEU 49 Cb 0.05 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1wsh h LEU 49 CO -0.05 0.82 0.58 -0.03 0.09 0.00 0.00 178.44 179.85 1wsh h MET 50 N 0.07 0.88 -0.16 1.13 4.05 -0.36 -1.36 114.93 119.18 1wsh h MET 50 Ca 0.03 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1wsh h MET 50 Cb 0.69 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1wsh h MET 50 CO 0.04 0.58 0.08 0.00 0.23 0.00 0.00 176.91 177.85 1wsh h ALA 51 N 1.55 0.19 -0.37 0.39 0.00 -1.16 -1.19 119.26 118.67 1wsh h ALA 51 Ca 0.42 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1wsh h ALA 51 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wsh h ALA 51 CO -0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 179.25 178.72 1wsh h ALA 52 N 1.07 0.50 0.12 0.00 0.00 -1.45 -2.67 119.26 116.83 1wsh h ALA 52 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1wsh h ALA 52 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1wsh h ALA 52 CO -0.03 0.28 -0.21 0.82 0.00 0.00 0.00 179.25 180.11 1wsh h ILE 53 N 0.47 0.54 -0.62 0.00 2.04 -1.05 -0.56 117.51 118.34 1wsh h ILE 53 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1wsh h ILE 53 Cb 0.48 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1wsh h ILE 53 CO 0.02 0.00 0.38 0.58 0.00 0.00 0.00 178.15 179.13 1wsh h VAL 54 N -0.40 1.07 -0.20 1.67 2.07 -1.24 0.14 116.25 119.36 1wsh h VAL 54 Ca 0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1wsh h VAL 54 Cb 0.41 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1wsh h VAL 54 CO -0.11 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.69 1wsh h ALA 55 N 1.27 0.26 -0.65 1.67 0.00 -1.31 -2.80 119.26 117.70 1wsh h ALA 55 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wsh h ALA 55 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1wsh h ALA 55 CO -0.10 -0.12 0.07 -0.07 0.00 0.00 0.00 179.25 179.02 1wsh h LEU 56 N 0.16 1.06 -0.42 0.00 3.38 -0.80 -2.69 115.31 115.99 1wsh h LEU 56 Ca 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wsh h LEU 56 Cb 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wsh h LEU 56 CO -0.00 1.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.97 1wsh n GLU 57 N -4.20 0.11 0.00 1.13 1.02 0.48 -2.13 120.64 117.05 1wsh n GLU 57 Ca 0.04 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 1wsh n GLU 57 Cb 0.31 -1.72 0.58 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.66 2.49 -2.29 0.62 0.00 -1.01 -4.80 120.51 113.86 1wsh n ALA 58 Ca 0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1wsh n ALA 58 Cb 0.20 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.97 4.47 -0.02 0.00 1.43 -0.91 -4.95 118.68 115.73 1wsh s LEU 59 Ca 0.15 1.88 0.14 0.00 -1.03 0.00 0.00 54.13 55.27 1wsh s LEU 59 Cb 0.19 -3.59 0.43 0.00 0.03 0.00 0.00 46.19 43.25 1wsh s LEU 59 CO 0.55 -0.17 1.36 0.29 0.23 0.00 0.00 176.35 178.60 1wsh n LYS 60 N 2.94 2.91 -3.56 1.70 4.76 -1.26 -4.99 118.16 120.67 1wsh n LYS 60 Ca 0.04 -2.32 -0.11 0.00 -2.87 0.00 0.00 58.31 53.05 1wsh n LYS 60 Cb 0.48 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.20 1.14 0.08 1.97 -1.05 -1.26 -5.12 118.70 113.26 1wsh s GLU 61 Ca 0.33 -0.60 -0.31 0.00 -0.15 0.00 0.00 54.97 54.24 1wsh s GLU 61 Cb 0.18 0.51 -0.09 0.00 -0.44 0.00 0.00 34.13 34.29 1wsh s GLU 61 CO 0.20 -0.46 1.82 -1.01 0.95 0.00 0.00 175.26 176.75 1wsh s HIS 62 N -3.70 1.95 0.22 4.83 3.76 -1.26 -4.98 115.29 116.12 1wsh s HIS 62 Ca 0.02 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.95 1wsh s HIS 62 Cb 0.01 -4.13 -0.05 0.00 1.11 0.00 0.00 32.58 29.51 1wsh s HIS 62 CO -0.12 -4.78 -0.13 0.00 -0.85 0.00 0.00 174.74 168.86 1wsh s GLU 64 N -3.65 3.41 -0.12 0.00 2.02 0.50 -0.68 118.70 120.18 1wsh s GLU 64 Ca 0.24 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.90 1wsh s GLU 64 Cb -0.00 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.32 1wsh s GLU 64 CO 0.08 -0.81 -0.11 0.08 0.02 0.00 0.00 175.26 174.52 1wsh s VAL 65 N 2.51 3.24 -0.35 2.63 1.01 0.81 -1.82 120.40 128.44 1wsh s VAL 65 Ca 0.19 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1wsh s VAL 65 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1wsh s VAL 65 CO 0.15 0.54 0.15 -0.63 0.00 0.00 0.00 175.10 175.31 1wsh s ILE 66 N 0.07 4.16 -0.32 2.22 1.01 -0.98 -0.44 121.20 126.92 1wsh s ILE 66 Ca -0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1wsh s ILE 66 Cb -0.14 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1wsh s ILE 66 CO 0.04 -0.18 0.17 -0.22 0.00 0.00 0.00 174.94 174.75 1wsh s LEU 67 N 1.48 4.18 -0.25 2.97 0.20 0.13 -1.36 118.68 126.03 1wsh s LEU 67 Ca 0.00 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.23 1wsh s LEU 67 Cb -0.19 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1wsh s LEU 67 CO 0.05 -0.20 0.11 -0.55 -0.29 0.00 0.00 176.35 175.46 1wsh s SER 68 N 1.63 5.51 -0.03 3.68 0.15 0.65 0.20 113.70 125.49 1wsh s SER 68 Ca 0.05 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 56.51 1wsh s SER 68 Cb -0.17 -1.99 0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1wsh s SER 68 CO 0.07 0.00 0.21 0.28 1.20 0.00 0.00 173.24 175.00 1wsh s THR 69 N 1.42 0.05 -2.61 6.45 -1.32 -0.75 -1.36 115.64 117.52 1wsh s THR 69 Ca 0.06 -0.43 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 1wsh s THR 69 Cb -0.15 -0.45 0.37 0.00 -1.51 0.00 0.00 72.50 70.76 1wsh s THR 69 CO 0.05 -0.24 1.38 -0.90 -2.21 0.00 0.00 174.62 172.70 1wsh n ASP 70 N 1.84 3.31 -4.66 8.08 5.75 -1.26 -1.78 116.55 127.83 1wsh n ASP 70 Ca -0.20 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.17 1wsh n ASP 70 Cb 0.56 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.62 6.74 0.23 -1.12 0.15 -1.26 -4.87 113.70 111.94 1wsh s SER 71 Ca 0.36 2.10 0.07 0.00 0.70 0.00 0.00 55.95 59.19 1wsh s SER 71 Cb 0.22 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 62.20 1wsh s SER 71 CO 0.31 -0.88 1.52 1.56 1.20 0.00 0.00 173.24 176.95 1wsh h GLN 72 N 9.18 0.08 -0.08 5.44 1.08 -1.93 -2.64 115.11 126.24 1wsh h GLN 72 Ca -0.36 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 56.76 1wsh h GLN 72 Cb 1.16 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1wsh h GLN 72 CO 0.96 0.75 0.01 -0.92 -0.95 0.00 0.00 178.83 178.68 1wsh h TYR 73 N 0.05 0.15 -0.55 2.96 3.20 -1.99 0.07 116.97 120.87 1wsh h TYR 73 Ca -0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1wsh h TYR 73 Cb 1.25 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1wsh h TYR 73 CO 0.01 0.36 0.29 0.28 -1.64 0.00 0.00 178.16 177.45 1wsh h VAL 74 N -0.10 1.19 -0.33 1.81 2.07 -1.92 -1.58 116.25 117.39 1wsh h VAL 74 Ca 0.03 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1wsh h VAL 74 Cb 0.29 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1wsh h VAL 74 CO 0.00 0.21 0.12 -0.09 0.02 0.00 0.00 177.57 177.83 1wsh h ARG 75 N 0.74 0.26 -0.39 1.57 2.43 -1.35 -0.17 114.38 117.48 1wsh h ARG 75 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1wsh h ARG 75 Cb 0.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1wsh h ARG 75 CO -0.03 0.17 0.20 0.37 -1.51 0.00 0.00 179.97 179.18 1wsh h GLN 76 N 0.27 0.54 -0.59 0.20 4.15 -0.70 -1.40 115.11 117.58 1wsh h GLN 76 Ca 0.15 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 1wsh h GLN 76 Cb 0.11 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1wsh h GLN 76 CO -0.14 0.46 0.09 0.78 -1.93 0.00 0.00 178.83 178.08 1wsh h GLY 77 N 0.49 1.07 1.04 2.39 0.00 -1.01 0.27 103.07 107.32 1wsh h GLY 77 Ca 0.13 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1wsh h GLY 77 CO -0.02 0.67 -0.20 -2.22 0.00 0.00 0.00 176.54 174.77 1wsh h ILE 78 N 0.89 1.28 0.00 2.60 1.08 -0.93 0.25 117.51 122.68 1wsh h ILE 78 Ca 0.18 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1wsh h ILE 78 Cb 0.44 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1wsh h ILE 78 CO 0.01 0.45 -0.70 0.35 -0.69 0.00 0.00 178.15 177.57 1wsh n THR 79 N -4.22 0.03 0.00 -0.27 -2.24 -0.54 -4.52 114.28 102.52 1wsh n THR 79 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wsh n THR 79 Cb 0.43 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.57 2.23 -0.08 -0.78 6.02 0.96 -4.97 117.38 119.19 1wsh n GLN 80 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.91 1wsh n GLN 80 Cb 0.35 -0.78 -0.07 0.00 1.02 0.00 0.00 30.24 30.76 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 -1.30 0.00 -0.28 1.08 8.01 -0.69 -4.74 117.44 119.52 1wsh n TRP 81 Ca 0.00 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.29 1wsh n TRP 81 Cb 0.26 -0.63 0.25 0.00 -2.01 0.00 0.00 31.31 29.19 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 -0.11 0.50 -0.23 -0.99 6.09 -0.78 -1.73 117.51 120.27 1wsh h ILE 82 Ca -0.38 -0.12 -0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1wsh h ILE 82 Cb 1.53 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 1wsh h ILE 82 CO -0.09 0.07 0.13 -0.74 -3.07 0.00 0.00 178.15 174.44 1wsh h HIS 83 N 0.36 0.31 -0.49 2.19 2.76 -1.84 -2.39 115.15 116.05 1wsh h HIS 83 Ca 0.50 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.59 1wsh h HIS 83 Cb 0.90 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1wsh h HIS 83 CO -0.19 0.26 -0.01 -0.91 -1.30 0.00 0.00 177.93 175.78 1wsh h ASN 84 N 0.27 0.79 -0.32 3.26 2.35 -1.72 -2.96 115.58 117.25 1wsh h ASN 84 Ca 0.08 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1wsh h ASN 84 Cb 0.05 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1wsh h ASN 84 CO -0.01 0.87 0.14 -0.50 -1.65 0.00 0.00 177.43 176.28 1wsh h TRP 85 N 0.76 0.27 0.00 1.19 6.55 -1.10 0.26 115.95 123.88 1wsh h TRP 85 Ca 0.14 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.00 1wsh h TRP 85 Cb 0.48 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1wsh h TRP 85 CO 0.03 0.14 0.00 1.63 -1.05 0.00 0.00 178.44 179.18 1wsh n LYS 86 N -4.97 0.06 -0.02 0.49 5.02 -0.92 -0.08 118.16 117.73 1wsh n LYS 86 Ca -0.00 0.42 0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1wsh n LYS 86 Cb 0.09 -1.64 -0.17 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.59 2.66 -0.87 7.82 0.00 -0.17 -4.38 120.51 123.98 1wsh n ALA 87 Ca 0.01 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.92 1wsh n ALA 87 Cb 0.11 -0.68 0.24 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.31 2.90 -2.51 0.00 1.74 -0.10 -4.96 116.66 111.42 1wsh n ARG 88 Ca -0.07 -2.72 -0.17 0.00 -0.77 0.00 0.00 57.85 54.12 1wsh n ARG 88 Cb 0.64 -1.75 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.37 -0.28 3.46 -0.13 0.00 -0.73 -3.16 105.19 103.98 1wsh n GLY 89 Ca 0.20 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.10 -2.28 -4.20 1.61 7.02 0.88 -5.02 117.44 111.35 1wsh n TRP 90 Ca -0.15 0.95 -0.13 0.00 -1.02 0.00 0.00 57.50 57.14 1wsh n TRP 90 Cb 0.63 -5.08 -0.10 0.00 -2.42 0.00 0.00 31.31 24.33 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 -5.49 0.91 0.49 -0.99 1.02 -1.19 -3.38 119.74 111.11 1wsh s LYS 91 Ca 0.08 -1.29 -0.08 0.00 0.02 0.00 0.00 55.97 54.70 1wsh s LYS 91 Cb -0.03 -0.49 0.11 0.00 -0.52 0.00 0.00 37.83 36.90 1wsh s LYS 91 CO 0.73 0.06 0.66 0.25 -0.92 0.00 0.00 175.35 176.13 1wsh n THR 92 N 0.19 0.00 0.08 2.17 -2.24 0.20 -4.84 114.28 109.83 1wsh n THR 92 Ca -0.13 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.16 1wsh n THR 92 Cb 0.59 -1.74 0.28 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.91 1.27 -0.12 6.98 0.00 -2.01 -2.01 119.26 121.46 1wsh h ALA 93 Ca -0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wsh h ALA 93 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wsh h ALA 93 CO 0.15 0.49 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 1wsh n ASP 94 N -4.15 1.76 -1.53 0.00 9.92 -1.26 -4.84 116.55 116.44 1wsh n ASP 94 Ca -0.01 -2.16 -0.20 0.00 -0.53 0.00 0.00 54.79 51.90 1wsh n ASP 94 Cb 0.37 -0.46 -0.08 0.00 -0.64 0.00 0.00 41.12 40.31 1wsh n ASP 94 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wsh n LYS 95 N 0.09 -1.38 -3.66 -1.24 4.76 -0.75 -4.97 118.16 111.01 1wsh n LYS 95 Ca 0.06 1.19 -0.33 0.00 -2.87 0.00 0.00 58.31 56.36 1wsh n LYS 95 Cb 0.39 -5.53 -0.05 0.00 -1.84 0.00 0.00 35.03 27.99 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 -3.71 3.65 0.36 1.97 1.02 -1.26 -4.74 119.74 117.04 1wsh s LYS 96 Ca 0.00 -0.01 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 1wsh s LYS 96 Cb 0.00 -2.94 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1wsh s LYS 96 CO 0.00 0.53 1.49 -2.30 -0.92 0.00 0.00 175.35 174.15 1wsh n PRO 97 N 0.54 2.64 -2.26 -1.68 -0.02 -1.26 0.58 135.00 133.54 1wsh n PRO 97 Ca -0.06 0.93 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 1wsh n PRO 97 Cb 0.52 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.97 3.14 0.38 -1.45 -7.23 -1.22 -4.73 120.40 108.31 1wsh s VAL 98 Ca 0.55 0.75 -0.28 0.00 -1.81 0.00 0.00 61.98 61.19 1wsh s VAL 98 Cb -0.49 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.03 1wsh s VAL 98 CO 0.62 -0.11 1.40 -0.75 -0.31 0.00 0.00 175.10 175.95 1wsh s LYS 99 N -3.11 4.11 -1.71 4.82 2.20 -1.26 -2.13 119.74 122.66 1wsh s LYS 99 Ca 0.70 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.70 1wsh s LYS 99 Cb -0.25 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1wsh s LYS 99 CO 0.29 -0.46 0.00 0.09 -0.36 0.00 0.00 175.35 174.91 1wsh n ASN 100 N 0.42 -5.23 -0.17 1.43 3.02 -1.26 -4.87 115.26 108.60 1wsh n ASN 100 Ca 0.02 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1wsh n ASN 100 Cb 0.41 -4.31 0.45 0.00 -0.61 0.00 0.00 39.78 35.72 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 0.87 -0.51 2.41 3.04 -1.81 -0.78 116.25 119.47 1wsh h VAL 101 Ca -0.41 -0.18 0.04 0.00 -1.01 0.00 0.00 66.70 65.14 1wsh h VAL 101 Cb 1.26 0.30 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 1wsh h VAL 101 CO 0.52 0.10 0.28 -2.24 -1.01 0.00 0.00 177.57 175.21 1wsh h ASP 102 N 0.52 0.41 0.60 3.17 2.03 -1.89 -0.74 116.42 120.52 1wsh h ASP 102 Ca 0.35 0.02 -0.28 0.00 -0.73 0.00 0.00 57.03 56.39 1wsh h ASP 102 Cb 0.65 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1wsh h ASP 102 CO -0.12 0.29 -1.28 -0.07 -1.03 0.00 0.00 179.24 177.03 1wsh h LEU 103 N 0.54 0.46 -0.88 0.15 3.38 -1.70 -2.84 115.31 114.42 1wsh h LEU 103 Ca 0.22 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1wsh h LEU 103 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1wsh h LEU 103 CO -0.14 1.39 0.10 -0.50 0.09 0.00 0.00 178.44 179.38 1wsh h TRP 104 N 0.08 0.97 -0.25 1.13 4.06 -1.01 0.67 115.95 121.60 1wsh h TRP 104 Ca -0.15 -0.11 -0.15 0.00 2.06 0.00 0.00 58.89 60.53 1wsh h TRP 104 Cb 1.99 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 29.87 1wsh h TRP 104 CO 0.07 0.83 -0.48 1.96 -3.56 0.00 0.00 178.44 177.26 1wsh h GLN 105 N 0.88 0.66 -0.49 0.49 4.20 -1.21 -0.79 115.11 118.85 1wsh h GLN 105 Ca 0.18 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1wsh h GLN 105 Cb 0.38 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1wsh h GLN 105 CO 0.01 0.99 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.93 1wsh h ARG 106 N 0.52 0.93 -0.34 1.46 2.43 -1.21 -1.28 114.38 116.89 1wsh h ARG 106 Ca 0.03 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 1wsh h ARG 106 Cb 1.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1wsh h ARG 106 CO 0.10 1.00 -0.20 1.25 -1.51 0.00 0.00 179.97 180.60 1wsh h LEU 107 N 0.82 0.76 -0.82 3.80 5.85 -0.74 -2.50 115.31 122.48 1wsh h LEU 107 Ca 0.13 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1wsh h LEU 107 Cb 0.67 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1wsh h LEU 107 CO 0.05 1.02 0.53 -0.78 -0.34 0.00 0.00 178.44 178.92 1wsh h ASP 108 N 0.51 0.89 -0.62 1.25 -0.00 -0.97 0.16 116.42 117.63 1wsh h ASP 108 Ca 0.07 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.03 57.06 1wsh h ASP 108 Cb 0.75 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.85 1wsh h ASP 108 CO 0.06 0.62 0.26 0.00 -0.00 0.00 0.00 179.24 180.18 1wsh h ALA 109 N 1.33 0.81 -0.39 -0.78 0.00 -1.14 -1.62 119.26 117.47 1wsh h ALA 109 Ca 0.32 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wsh h ALA 109 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wsh h ALA 109 CO -0.10 0.42 -0.25 0.00 0.00 0.00 0.00 179.25 179.31 1wsh h ALA 110 N 1.10 0.56 -0.46 0.00 0.00 -0.94 -2.94 119.26 116.58 1wsh h ALA 110 Ca 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wsh h ALA 110 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wsh h ALA 110 CO -0.02 0.56 0.23 -0.07 0.00 0.00 0.00 179.25 179.96 1wsh h LEU 111 N 0.68 0.56 -0.31 0.00 3.38 -0.53 -2.19 115.31 116.90 1wsh h LEU 111 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wsh h LEU 111 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wsh h LEU 111 CO 0.07 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1wsh n GLY 112 N -1.27 -0.91 0.90 0.83 0.00 -0.63 -2.31 105.19 101.80 1wsh n GLY 112 Ca 0.04 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1wsh n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wsh n GLN 113 N -1.74 2.15 -4.00 1.61 6.02 -0.82 -4.96 117.38 115.64 1wsh n GLN 113 Ca 0.02 -1.76 -0.10 0.00 -0.01 0.00 0.00 57.00 55.15 1wsh n GLN 113 Cb 0.12 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 1wsh n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1wsh s HIS 114 N -1.51 0.44 -0.49 1.08 3.76 -0.98 -4.20 115.29 113.39 1wsh s HIS 114 Ca 0.35 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.29 1wsh s HIS 114 Cb 0.19 0.07 0.05 0.00 1.11 0.00 0.00 32.58 34.00 1wsh s HIS 114 CO 0.27 -0.90 0.61 -0.65 -0.85 0.00 0.00 174.74 173.22 1wsh s GLN 115 N -4.02 3.14 -0.10 1.40 -1.52 0.15 -4.97 119.66 113.73 1wsh s GLN 115 Ca 0.23 -0.83 -0.10 0.00 -1.95 0.00 0.00 55.36 52.71 1wsh s GLN 115 Cb 0.01 -4.07 -0.05 0.00 -0.22 0.00 0.00 33.01 28.68 1wsh s GLN 115 CO 0.07 -1.17 0.23 0.42 -0.25 0.00 0.00 175.29 174.59 1wsh s ILE 116 N 2.60 5.35 -0.19 1.08 -1.09 -1.26 -0.13 121.20 127.55 1wsh s ILE 116 Ca 0.16 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.97 1wsh s ILE 116 Cb -0.19 -3.51 0.06 0.00 -1.58 0.00 0.00 42.46 37.24 1wsh s ILE 116 CO 0.13 0.56 0.00 -0.75 -1.23 0.00 0.00 174.94 173.65 1wsh s LYS 117 N -0.73 0.97 0.17 2.79 2.47 0.41 -4.97 119.74 120.86 1wsh s LYS 117 Ca 0.17 -0.55 -0.23 0.00 -1.56 0.00 0.00 55.97 53.80 1wsh s LYS 117 Cb -0.13 -2.16 -0.08 0.00 -1.46 0.00 0.00 37.83 34.00 1wsh s LYS 117 CO 0.06 -0.59 0.73 -1.58 0.16 0.00 0.00 175.35 174.13 1wsh s TRP 118 N 1.73 3.83 -0.28 4.03 0.52 -1.26 -0.70 118.94 126.82 1wsh s TRP 118 Ca -0.02 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.66 1wsh s TRP 118 Cb -0.17 -2.69 0.07 0.00 -1.15 0.00 0.00 33.47 29.52 1wsh s TRP 118 CO -0.07 0.48 -0.08 -2.00 0.02 0.00 0.00 176.95 175.30 1wsh s GLU 119 N -1.34 2.10 -0.46 4.98 2.12 0.13 -4.88 118.70 121.35 1wsh s GLU 119 Ca 0.36 -1.45 -0.22 0.00 0.36 0.00 0.00 54.97 54.03 1wsh s GLU 119 Cb -0.21 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.25 1wsh s GLU 119 CO 0.24 -0.64 0.72 -1.58 -0.54 0.00 0.00 175.26 173.46 1wsh s TRP 120 N 1.07 3.01 0.15 5.30 0.23 -1.26 -1.81 118.94 125.63 1wsh s TRP 120 Ca -0.05 -0.03 -0.01 0.00 -2.03 0.00 0.00 56.10 53.98 1wsh s TRP 120 Cb -0.20 -3.55 -0.04 0.00 0.03 0.00 0.00 33.47 29.70 1wsh s TRP 120 CO -0.05 -0.98 0.33 0.14 0.96 0.00 0.00 176.95 177.35 1wsh s VAL 121 N 3.08 5.26 0.00 4.03 -7.23 -0.73 -4.99 120.40 119.81 1wsh s VAL 121 Ca 0.25 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 1wsh s VAL 121 Cb -0.14 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1wsh s VAL 121 CO 0.20 -0.05 0.00 2.29 -0.31 0.00 0.00 175.10 177.22 1wsh n LYS 122 N -0.30 3.25 0.00 4.82 0.00 -1.26 -4.15 118.16 120.51 1wsh n LYS 122 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1wsh n LYS 122 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 1wsh n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wsh n GLY 123 N 5.00 0.42 0.00 2.58 0.00 -1.26 -4.88 105.19 107.04 1wsh n GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wsh n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wsh n GLY 126 N 0.76 0.89 4.00 -0.02 0.00 -1.26 -5.11 105.19 104.45 1wsh n GLY 126 Ca 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.78 2.87 0.44 1.61 3.76 -1.26 -4.97 115.29 114.97 1wsh s HIS 127 Ca 0.00 -0.36 0.13 0.00 -0.15 0.00 0.00 55.06 54.68 1wsh s HIS 127 Cb 0.00 -2.29 1.04 0.00 1.11 0.00 0.00 32.58 32.44 1wsh s HIS 127 CO 0.00 -0.32 2.01 -1.35 -0.85 0.00 0.00 174.74 174.23 1wsh h PRO 128 N 0.71 0.37 -0.29 8.40 0.11 -2.05 -0.68 132.00 138.57 1wsh h PRO 128 Ca -0.41 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1wsh h PRO 128 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1wsh h PRO 128 CO 0.47 0.25 -0.15 0.93 -0.21 0.00 0.00 178.00 179.28 1wsh h GLU 129 N 0.38 0.51 -0.24 1.05 3.07 -1.99 -1.11 114.58 116.25 1wsh h GLU 129 Ca 0.23 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1wsh h GLU 129 Cb 0.40 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1wsh h GLU 129 CO -0.06 0.65 -0.36 -0.91 -1.40 0.00 0.00 179.01 176.94 1wsh h ASN 130 N 0.47 0.54 0.07 1.42 4.21 -1.51 -1.77 115.58 119.01 1wsh h ASN 130 Ca 0.08 -0.22 -0.15 0.00 1.21 0.00 0.00 56.30 57.23 1wsh h ASN 130 Cb 0.54 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 1wsh h ASN 130 CO 0.03 0.85 -0.50 -0.33 -1.29 0.00 0.00 177.43 176.19 1wsh h GLU 131 N 0.44 0.48 -0.62 0.81 5.08 -1.01 -2.17 114.58 117.59 1wsh h GLU 131 Ca 0.05 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1wsh h GLU 131 Cb 0.83 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1wsh h GLU 131 CO 0.07 0.88 0.06 -0.09 -1.00 0.00 0.00 179.01 178.92 1wsh h ARG 132 N 0.38 1.05 -0.34 2.33 9.65 -0.96 -1.84 114.38 124.65 1wsh h ARG 132 Ca 0.02 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.53 1wsh h ARG 132 Cb 1.02 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 1wsh h ARG 132 CO 0.09 1.00 -0.06 0.00 2.80 0.00 0.00 179.97 183.81 1wsh h ASP 134 N 0.52 0.43 -0.30 0.00 3.45 -0.95 -0.42 116.42 119.15 1wsh h ASP 134 Ca 0.10 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1wsh h ASP 134 Cb 0.42 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1wsh h ASP 134 CO 0.02 0.48 0.20 -0.33 -1.57 0.00 0.00 179.24 178.04 1wsh h GLU 135 N 0.36 0.40 -0.26 3.56 5.08 -1.01 -0.43 114.58 122.28 1wsh h GLU 135 Ca 0.10 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1wsh h GLU 135 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1wsh h GLU 135 CO -0.01 0.26 0.16 -0.07 -1.00 0.00 0.00 179.01 178.36 1wsh h LEU 136 N 0.41 0.27 -0.61 1.33 3.38 -1.07 0.11 115.31 119.13 1wsh h LEU 136 Ca 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1wsh h LEU 136 Cb -0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1wsh h LEU 136 CO -0.02 0.20 0.28 0.00 0.09 0.00 0.00 178.44 178.98 1wsh h ALA 137 N 1.11 0.78 -0.28 1.53 0.00 -0.86 -0.76 119.26 120.78 1wsh h ALA 137 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1wsh h ALA 137 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1wsh h ALA 137 CO -0.04 0.36 -0.40 0.00 0.00 0.00 0.00 179.25 179.17 1wsh h ARG 138 N 0.83 0.67 -0.50 0.00 3.08 -0.88 -0.55 114.38 117.03 1wsh h ARG 138 Ca 0.21 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1wsh h ARG 138 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1wsh h ARG 138 CO -0.02 0.95 -0.06 0.00 -1.07 0.00 0.00 179.97 179.77 1wsh h ALA 139 N 1.00 0.94 -0.31 0.04 0.00 -0.58 -2.62 119.26 117.73 1wsh h ALA 139 Ca 0.05 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1wsh h ALA 139 Cb 0.93 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1wsh h ALA 139 CO 0.08 0.63 -0.43 0.00 0.00 0.00 0.00 179.25 179.53 1wsh h ALA 140 N 1.11 0.46 0.00 0.00 0.00 -0.87 -2.95 119.26 117.01 1wsh h ALA 140 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wsh h ALA 140 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wsh h ALA 140 CO 0.03 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1wsh h ALA 141 N 0.70 1.68 -0.01 0.00 0.00 -0.97 -0.97 119.26 119.69 1wsh h ALA 141 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wsh h ALA 141 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wsh h ALA 141 CO 0.10 0.05 -0.02 -1.33 0.00 0.00 0.00 179.25 178.05 1wsh n MET 142 N -4.12 1.41 -2.98 0.00 2.81 -1.00 -4.22 117.12 109.02 1wsh n MET 142 Ca -0.03 -0.68 -0.14 0.00 -1.81 0.00 0.00 57.70 55.05 1wsh n MET 142 Cb 0.12 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.21 -0.74 -4.77 7.83 4.05 -0.40 -5.09 115.26 115.94 1wsh n ASN 143 Ca 0.19 -3.29 -0.41 0.00 0.45 0.00 0.00 54.58 51.52 1wsh n ASN 143 Cb 0.29 0.57 -0.02 0.00 1.23 0.00 0.00 39.78 41.86 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 -1.06 4.34 0.00 1.20 0.04 -1.05 -4.64 135.00 133.84 1wsh s PRO 144 Ca 0.32 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1wsh s PRO 144 Cb 0.31 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1wsh s PRO 144 CO -0.08 -0.22 0.01 0.25 0.04 0.00 0.00 177.00 177.01 1wsh n THR 145 N 0.96 0.00 -4.46 1.26 -2.24 -0.49 -4.83 114.28 104.48 1wsh n THR 145 Ca 0.01 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1wsh n THR 145 Cb 0.42 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.14 2.34 -0.07 3.22 1.43 -0.74 -5.00 118.68 118.73 1wsh s LEU 146 Ca 0.00 -1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1wsh s LEU 146 Cb 0.00 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1wsh s LEU 146 CO 0.00 -0.51 -0.02 -0.70 0.23 0.00 0.00 176.35 175.34 1wsh s GLU 147 N -3.83 2.87 -1.05 1.70 2.12 -1.26 -0.86 118.70 118.40 1wsh s GLU 147 Ca 0.34 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 55.02 1wsh s GLU 147 Cb 0.07 -2.70 0.15 0.00 0.26 0.00 0.00 34.13 31.91 1wsh s GLU 147 CO 0.14 0.68 1.25 0.34 -0.54 0.00 0.00 175.26 177.13 1wsh s ASP 148 N -0.95 6.84 0.56 -1.70 3.68 -1.26 -4.84 116.67 119.00 1wsh s ASP 148 Ca 0.14 -2.51 0.25 0.00 2.13 0.00 0.00 52.55 52.56 1wsh s ASP 148 Cb -0.11 -2.39 1.62 0.00 -1.45 0.00 0.00 42.92 40.59 1wsh s ASP 148 CO 0.03 -0.89 2.21 0.71 0.13 0.00 0.00 175.17 177.35 1wsh h THR 149 N 5.25 0.68 -0.00 1.71 1.35 -1.96 -2.21 112.91 117.74 1wsh h THR 149 Ca 0.22 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1wsh h THR 149 Cb 0.96 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1wsh h THR 149 CO 1.15 0.01 -0.02 0.61 -0.25 0.00 0.00 175.52 177.03 1wsh n GLY 150 N -1.33 -1.45 3.68 5.82 0.00 -1.26 -4.81 105.19 105.83 1wsh n GLY 150 Ca -0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.93 3.24 -0.53 1.61 6.04 -0.83 -4.98 117.35 118.96 1wsh s TYR 151 Ca 0.16 1.33 -0.21 0.00 0.04 0.00 0.00 57.07 58.39 1wsh s TYR 151 Cb 0.19 -3.34 0.05 0.00 -1.04 0.00 0.00 41.96 37.82 1wsh s TYR 151 CO 0.53 -0.91 0.76 -0.65 -1.54 0.00 0.00 175.55 173.73 1wsh s GLN 152 N 2.66 3.20 -0.17 4.97 -0.21 -1.26 -4.99 119.66 123.86 1wsh s GLN 152 Ca 0.51 -0.65 -0.38 0.00 0.02 0.00 0.00 55.36 54.85 1wsh s GLN 152 Cb -0.20 -4.09 -0.15 0.00 1.00 0.00 0.00 33.01 29.57 1wsh s GLN 152 CO 0.16 -1.34 1.72 0.28 -2.12 0.00 0.00 175.29 173.98 1wsh n VAL 153 N 5.85 0.32 0.87 1.09 0.31 -1.26 -4.83 118.33 120.68 1wsh n VAL 153 Ca -0.03 -0.06 0.09 0.00 -0.01 0.00 0.00 64.34 64.33 1wsh n VAL 153 Cb 0.46 -1.34 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 1wsh n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wsh n GLU 154 N 5.24 1.36 -0.03 5.55 1.02 -1.26 -5.22 120.64 127.29 1wsh n GLU 154 Ca 0.24 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1wsh n GLU 154 Cb 0.18 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1wsh n GLU 154 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59