#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq h SER 2 N 0.00 -0.78 0.00 1.61 0.02 -1.99 -3.48 113.55 108.93 1wgq h SER 2 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1wgq h SER 2 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1wgq h SER 2 CO 0.00 -0.55 0.00 -1.20 -1.14 0.00 0.00 176.83 173.94 1wgq n SER 3 N -5.48 0.00 0.00 3.07 7.64 -1.26 -5.01 113.62 112.58 1wgq n SER 3 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wgq n SER 3 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1wgq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgq n GLY 4 N 0.00 0.67 3.81 0.23 0.00 -1.26 -5.14 105.19 103.50 1wgq n GLY 4 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1wgq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgq s SER 5 N -0.98 5.56 0.39 1.61 1.04 -1.26 -5.11 113.70 114.95 1wgq s SER 5 Ca 0.00 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.11 1wgq s SER 5 Cb 0.00 -1.46 -0.10 0.00 0.10 0.00 0.00 66.02 64.56 1wgq s SER 5 CO 0.00 0.05 0.86 -0.55 0.98 0.00 0.00 173.24 174.58 1wgq s SER 6 N -3.25 6.83 0.00 7.02 0.15 -1.26 -4.88 113.70 118.32 1wgq s SER 6 Ca 0.31 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1wgq s SER 6 Cb -0.10 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wgq s SER 6 CO 0.24 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wgq n GLY 7 N -0.63 -0.14 3.80 9.45 0.00 -1.26 -5.00 105.19 111.41 1wgq n GLY 7 Ca 0.05 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1wgq n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 8 N -4.00 4.81 0.19 1.61 0.01 -1.26 -4.94 113.70 110.12 1wgq s SER 8 Ca 0.00 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 58.65 1wgq s SER 8 Cb 0.00 -2.36 0.15 0.00 0.21 0.00 0.00 66.02 64.02 1wgq s SER 8 CO 0.00 -1.80 1.62 0.74 0.41 0.00 0.00 173.24 174.20 1wgq h THR 9 N -0.97 0.32 -2.07 1.44 2.02 -1.94 -3.43 112.91 108.28 1wgq h THR 9 Ca -0.45 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1wgq h THR 9 Cb 1.24 0.32 -0.21 0.00 -1.74 0.00 0.00 68.15 67.75 1wgq h THR 9 CO 0.56 0.00 0.07 -0.32 0.37 0.00 0.00 175.52 176.20 1wgq s MET 10 N -6.12 0.77 0.24 6.66 0.00 -1.26 -5.00 119.30 114.59 1wgq s MET 10 Ca -0.14 1.02 -0.10 0.00 0.00 0.00 0.00 55.69 56.47 1wgq s MET 10 Cb 0.16 0.32 -0.01 0.00 0.00 0.00 0.00 34.83 35.30 1wgq s MET 10 CO 0.71 -0.11 0.42 -1.54 0.00 0.00 0.00 175.02 174.49 1wgq s SER 11 N 0.71 0.00 0.00 1.11 1.04 -1.26 -2.17 113.70 113.13 1wgq s SER 11 Ca -0.03 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1wgq s SER 11 Cb -0.05 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wgq s SER 11 CO -0.05 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wgq n GLY 12 N -0.37 4.02 3.55 7.32 0.00 -1.25 -5.08 105.19 113.39 1wgq n GLY 12 Ca -0.01 -1.39 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 1wgq n GLY 12 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wgq n TYR 13 N -0.95 0.91 -4.43 1.61 4.01 -1.26 -4.20 117.16 112.84 1wgq n TYR 13 Ca 0.00 0.74 -0.21 0.00 -0.16 0.00 0.00 57.90 58.27 1wgq n TYR 13 Cb 0.00 -2.19 -0.10 0.00 -0.31 0.00 0.00 39.34 36.74 1wgq n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wgq s LEU 14 N 0.89 2.02 -0.28 7.72 1.43 0.50 -4.86 118.68 126.10 1wgq s LEU 14 Ca 0.60 -1.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1wgq s LEU 14 Cb -0.73 -0.23 0.08 0.00 0.03 0.00 0.00 46.19 45.34 1wgq s LEU 14 CO 0.59 -0.70 0.01 -0.31 0.23 0.00 0.00 176.35 176.17 1wgq s TYR 15 N -3.38 2.57 -0.03 0.29 2.02 -1.23 -1.58 117.35 116.01 1wgq s TYR 15 Ca 0.34 -2.06 -0.16 0.00 -0.37 0.00 0.00 57.07 54.82 1wgq s TYR 15 Cb 0.07 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 1wgq s TYR 15 CO 0.15 -0.84 0.45 0.50 -1.57 0.00 0.00 175.55 174.24 1wgq s ARG 16 N 1.33 4.09 0.34 -0.62 3.52 -1.05 -2.72 118.95 123.83 1wgq s ARG 16 Ca 0.02 0.46 0.06 0.00 -0.13 0.00 0.00 55.73 56.15 1wgq s ARG 16 Cb -0.19 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1wgq s ARG 16 CO -0.11 0.52 0.25 0.45 -0.81 0.00 0.00 175.30 175.60 1wgq s SER 17 N -0.55 1.77 -0.17 -2.12 0.15 -1.07 -0.57 113.70 111.13 1wgq s SER 17 Ca 0.25 -1.74 0.14 0.00 0.70 0.00 0.00 55.95 55.31 1wgq s SER 17 Cb -0.17 0.55 0.37 0.00 -1.71 0.00 0.00 66.02 65.06 1wgq s SER 17 CO 0.13 -1.04 1.19 0.29 1.20 0.00 0.00 173.24 175.01 1wgq n LYS 18 N -0.65 1.42 -1.80 5.44 5.02 -1.26 -2.48 118.16 123.85 1wgq n LYS 18 Ca 0.05 -2.98 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1wgq n LYS 18 Cb 0.63 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgq n GLY 19 N -1.20 0.03 0.11 0.72 0.00 -1.26 -4.90 105.19 98.69 1wgq n GLY 19 Ca 0.17 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1wgq n GLY 19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wgq h SER 20 N 0.00 0.16 -0.30 1.61 0.02 -2.00 -3.34 113.55 109.69 1wgq h SER 20 Ca 0.00 -0.76 -0.21 0.00 -0.84 0.00 0.00 61.79 59.99 1wgq h SER 20 Cb 0.00 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.40 1wgq h SER 20 CO 0.00 1.45 0.25 0.29 -1.14 0.00 0.00 176.83 177.68 1wgq n LYS 21 N -4.25 1.52 -4.28 3.45 5.02 -1.26 -4.84 118.16 113.52 1wgq n LYS 21 Ca -0.25 -0.99 -0.19 0.00 -2.02 0.00 0.00 58.31 54.86 1wgq n LYS 21 Cb 0.73 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 1wgq n LYS 21 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wgq s LYS 22 N -1.10 1.14 0.37 1.97 -0.14 -1.25 -5.09 119.74 115.64 1wgq s LYS 22 Ca 0.21 -1.34 -0.25 0.00 -1.36 0.00 0.00 55.97 53.22 1wgq s LYS 22 Cb 0.16 -1.05 -0.09 0.00 -1.68 0.00 0.00 37.83 35.17 1wgq s LYS 22 CO -0.01 0.20 1.06 -1.25 -0.76 0.00 0.00 175.35 174.59 1wgq s PRO 23 N -2.88 4.26 0.07 -1.68 0.04 -1.26 -4.87 135.00 128.68 1wgq s PRO 23 Ca 0.13 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1wgq s PRO 23 Cb -0.04 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1wgq s PRO 23 CO 0.04 -0.07 0.68 -1.58 0.04 0.00 0.00 177.00 176.11 1wgq s TRP 24 N -1.55 3.79 -0.43 0.56 0.52 -1.26 -4.56 118.94 116.00 1wgq s TRP 24 Ca 0.55 1.40 -0.08 0.00 0.02 0.00 0.00 56.10 57.99 1wgq s TRP 24 Cb -0.24 -2.68 0.09 0.00 -1.15 0.00 0.00 33.47 29.50 1wgq s TRP 24 CO 0.30 0.44 0.27 0.15 0.02 0.00 0.00 176.95 178.13 1wgq s LYS 25 N -0.64 2.47 -0.46 4.98 1.02 0.26 -4.93 119.74 122.44 1wgq s LYS 25 Ca 0.34 -1.60 -0.27 0.00 0.02 0.00 0.00 55.97 54.46 1wgq s LYS 25 Cb -0.20 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.28 1wgq s LYS 25 CO 0.21 -1.03 2.19 -1.01 -0.92 0.00 0.00 175.35 174.79 1wgq s HIS 26 N 1.36 1.30 0.31 3.18 3.76 -1.26 -2.54 115.29 121.39 1wgq s HIS 26 Ca 0.04 1.14 0.03 0.00 -0.15 0.00 0.00 55.06 56.13 1wgq s HIS 26 Cb -0.24 -3.80 -0.06 0.00 1.11 0.00 0.00 32.58 29.59 1wgq s HIS 26 CO 0.00 -2.75 0.08 -0.51 -0.85 0.00 0.00 174.74 170.71 1wgq s LEU 27 N 10.40 1.98 -0.06 0.89 1.43 -0.61 -5.00 118.68 127.70 1wgq s LEU 27 Ca 0.89 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1wgq s LEU 27 Cb -0.19 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1wgq s LEU 27 CO 0.27 -0.67 -0.06 0.86 0.23 0.00 0.00 176.35 176.98 1wgq s TRP 28 N -3.45 2.97 -0.00 0.29 -0.11 -1.11 -0.37 118.94 117.16 1wgq s TRP 28 Ca 0.36 0.04 -0.01 0.00 1.22 0.00 0.00 56.10 57.71 1wgq s TRP 28 Cb 0.08 -1.71 -0.00 0.00 -1.50 0.00 0.00 33.47 30.34 1wgq s TRP 28 CO 0.15 0.36 0.03 -0.06 -4.62 0.00 0.00 176.95 172.81 1wgq s PHE 29 N -0.85 0.05 -0.00 5.86 0.40 -1.26 -0.00 117.98 122.18 1wgq s PHE 29 Ca 0.13 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1wgq s PHE 29 Cb -0.11 -0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.36 1wgq s PHE 29 CO 0.02 -0.09 -0.07 0.08 0.70 0.00 0.00 175.22 175.86 1wgq s VAL 30 N -0.52 0.57 -0.80 -0.44 1.01 -1.06 -3.74 120.40 115.43 1wgq s VAL 30 Ca -0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1wgq s VAL 30 Cb -0.04 -0.50 0.21 0.00 0.00 0.00 0.00 36.38 36.06 1wgq s VAL 30 CO -0.00 0.11 0.71 -0.63 0.00 0.00 0.00 175.10 175.29 1wgq s ILE 31 N -0.28 5.15 -0.69 2.22 1.01 -0.92 -0.47 121.20 127.21 1wgq s ILE 31 Ca 0.02 -2.67 -0.27 0.00 0.00 0.00 0.00 60.65 57.72 1wgq s ILE 31 Cb -0.03 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1wgq s ILE 31 CO -0.00 -1.00 1.40 -0.75 0.00 0.00 0.00 174.94 174.58 1wgq s LYS 32 N -0.00 3.11 0.00 2.79 2.20 0.22 -3.96 119.74 124.09 1wgq s LYS 32 Ca 0.19 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1wgq s LYS 32 Cb -0.12 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 1wgq s LYS 32 CO -0.08 -2.22 0.00 0.09 -0.36 0.00 0.00 175.35 172.78 1wgq n ASN 33 N 10.00 0.00 -0.37 1.43 4.13 -1.26 0.65 115.26 129.83 1wgq n ASN 33 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1wgq n ASN 33 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wgq n LYS 34 N 0.00 0.00 -4.21 3.52 5.02 -1.26 -4.93 118.16 116.30 1wgq n LYS 34 Ca 0.00 -0.72 -0.34 0.00 -2.02 0.00 0.00 58.31 55.23 1wgq n LYS 34 Cb 0.00 -0.42 -0.15 0.00 -0.02 0.00 0.00 35.03 34.45 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wgq s VAL 35 N 0.00 2.84 -0.77 -0.18 1.01 0.21 -2.15 120.40 121.35 1wgq s VAL 35 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1wgq s VAL 35 Cb 0.00 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.25 1wgq s VAL 35 CO 0.00 0.49 0.97 -0.22 0.00 0.00 0.00 175.10 176.33 1wgq s LEU 36 N 1.14 5.01 0.55 3.92 1.98 0.44 0.68 118.68 132.40 1wgq s LEU 36 Ca 0.01 -1.62 -0.09 0.00 -2.89 0.00 0.00 54.13 49.54 1wgq s LEU 36 Cb -0.14 -2.37 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1wgq s LEU 36 CO -0.04 -1.17 0.93 -0.31 -1.89 0.00 0.00 176.35 173.87 1wgq s TYR 37 N 2.98 3.58 0.22 5.38 1.51 0.38 -2.58 117.35 128.82 1wgq s TYR 37 Ca 0.24 1.13 0.07 0.00 -1.01 0.00 0.00 57.07 57.50 1wgq s TYR 37 Cb -0.13 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 1wgq s TYR 37 CO 0.00 -0.49 0.15 0.99 -1.11 0.00 0.00 175.55 175.09 1wgq s THR 38 N -2.94 4.33 0.35 -0.71 2.01 0.11 -2.55 115.64 116.26 1wgq s THR 38 Ca 0.53 -1.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1wgq s THR 38 Cb -0.11 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.16 1wgq s THR 38 CO 0.48 -0.26 0.66 -1.22 -0.69 0.00 0.00 174.62 173.60 1wgq n TYR 39 N -0.81 -2.06 0.00 4.92 4.01 1.00 -1.27 117.16 122.95 1wgq n TYR 39 Ca -0.08 -1.81 0.00 0.00 -0.16 0.00 0.00 57.90 55.85 1wgq n TYR 39 Cb 0.57 0.78 0.00 0.00 -0.31 0.00 0.00 39.34 40.37 1wgq n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wgq n ALA 40 N -0.79 2.41 -2.64 -0.72 0.00 -1.26 -2.74 120.51 114.77 1wgq n ALA 40 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1wgq n ALA 40 Cb 0.54 0.38 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 1wgq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq s ALA 41 N -1.86 4.00 0.04 0.00 0.00 -1.26 -4.12 121.76 118.55 1wgq s ALA 41 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 1wgq s ALA 41 Cb 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 23.12 22.81 1wgq s ALA 41 CO 0.00 -0.13 1.41 0.66 0.00 0.00 0.00 175.76 177.71 1wgq h SER 42 N 1.30 -0.47 -2.29 0.00 4.64 -1.99 -3.30 113.55 111.44 1wgq h SER 42 Ca -0.43 -0.08 -0.67 0.00 -0.47 0.00 0.00 61.79 60.15 1wgq h SER 42 Cb 1.30 0.12 -0.37 0.00 -0.31 0.00 0.00 62.40 63.14 1wgq h SER 42 CO 0.72 -0.19 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.83 1wgq n GLU 43 N -5.25 3.97 -2.03 4.77 1.02 -1.26 -5.05 120.64 116.80 1wgq n GLU 43 Ca -0.11 -4.78 -0.39 0.00 -0.02 0.00 0.00 57.16 51.86 1wgq n GLU 43 Cb 0.28 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1wgq n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wgq s ASP 44 N -2.66 6.12 0.54 1.62 -1.08 -1.24 -4.86 116.67 115.11 1wgq s ASP 44 Ca 0.44 2.64 0.29 0.00 -0.52 0.00 0.00 52.55 55.40 1wgq s ASP 44 Cb 0.23 -2.63 1.45 0.00 -1.46 0.00 0.00 42.92 40.51 1wgq s ASP 44 CO -0.12 -0.98 1.93 -0.37 0.52 0.00 0.00 175.17 176.16 1wgq h VAL 45 N 2.24 0.61 -2.36 1.11 -1.51 -1.96 -3.43 116.25 110.94 1wgq h VAL 45 Ca -0.50 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1wgq h VAL 45 Cb 1.25 0.63 -0.12 0.00 -2.13 0.00 0.00 31.29 30.93 1wgq h VAL 45 CO 0.61 0.00 0.47 0.00 -1.23 0.00 0.00 177.57 177.42 1wgq s ALA 46 N -4.97 -1.72 0.45 5.19 0.00 -1.26 -5.16 121.76 114.29 1wgq s ALA 46 Ca -0.05 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1wgq s ALA 46 Cb 0.20 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.79 1wgq s ALA 46 CO 0.75 -0.86 1.03 0.00 0.00 0.00 0.00 175.76 176.68 1wgq s ALA 47 N -3.25 2.97 0.09 0.00 0.00 -1.26 -4.80 121.76 115.50 1wgq s ALA 47 Ca 0.08 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1wgq s ALA 47 Cb -0.01 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 19.65 1wgq s ALA 47 CO -0.04 -0.23 1.20 -0.07 0.00 0.00 0.00 175.76 176.62 1wgq h LEU 48 N 1.94 0.77 -8.22 0.00 3.38 -1.50 -3.48 115.31 108.20 1wgq h LEU 48 Ca -0.49 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 56.78 1wgq h LEU 48 Cb 1.21 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1wgq h LEU 48 CO 0.60 1.46 -0.08 -1.61 0.09 0.00 0.00 178.44 178.91 1wgq s GLU 49 N -3.18 1.60 -0.02 1.13 0.41 -1.25 -4.98 118.70 112.40 1wgq s GLU 49 Ca -0.08 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 1wgq s GLU 49 Cb 0.07 0.49 0.03 0.00 -1.78 0.00 0.00 34.13 32.94 1wgq s GLU 49 CO 0.91 -0.68 0.02 -1.54 -0.49 0.00 0.00 175.26 173.48 1wgq s SER 50 N -3.02 0.21 -0.16 -0.19 1.04 -1.26 0.10 113.70 110.42 1wgq s SER 50 Ca 0.21 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.59 1wgq s SER 50 Cb -0.01 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.05 1wgq s SER 50 CO 0.09 -0.11 0.36 -1.58 0.98 0.00 0.00 173.24 172.98 1wgq s GLN 51 N 1.00 0.28 0.62 4.02 2.00 -1.06 -5.00 119.66 121.51 1wgq s GLN 51 Ca -0.09 0.85 -0.14 0.00 -2.00 0.00 0.00 55.36 53.98 1wgq s GLN 51 Cb -0.13 0.10 -0.03 0.00 0.80 0.00 0.00 33.01 33.76 1wgq s GLN 51 CO -0.02 -0.23 1.05 -1.25 -0.50 0.00 0.00 175.29 174.34 1wgq s PRO 52 N 2.12 3.26 -0.40 1.67 0.04 -1.26 -0.42 135.00 140.01 1wgq s PRO 52 Ca -0.04 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1wgq s PRO 52 Cb -0.11 -2.03 0.56 0.00 0.04 0.00 0.00 34.50 32.96 1wgq s PRO 52 CO -0.11 -0.85 1.80 1.28 0.04 0.00 0.00 177.00 179.16 1wgq n LEU 53 N -2.34 6.29 -4.66 -3.56 4.77 -0.92 -4.76 117.00 111.82 1wgq n LEU 53 Ca 0.08 -3.35 -0.40 0.00 -0.03 0.00 0.00 56.01 52.31 1wgq n LEU 53 Cb 0.53 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1wgq n LEU 53 CO 0.50 1.00 0.40 -0.22 -1.33 0.00 0.00 177.39 177.74 1wgq s LEU 54 N -2.86 4.15 0.00 2.23 0.20 -1.26 -2.77 118.68 118.37 1wgq s LEU 54 Ca 0.49 0.88 0.00 0.00 0.69 0.00 0.00 54.13 56.19 1wgq s LEU 54 Cb 0.41 -2.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 1wgq s LEU 54 CO 0.09 -0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.47 1wgq n GLY 55 N 3.74 2.83 2.65 7.98 0.00 -1.26 -5.01 105.19 116.13 1wgq n GLY 55 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1wgq n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgq n PHE 56 N -0.41 -3.60 -3.95 1.61 3.01 -1.25 -3.54 117.46 109.33 1wgq n PHE 56 Ca 0.00 -0.73 -0.09 0.00 1.01 0.00 0.00 57.45 57.64 1wgq n PHE 56 Cb 0.00 -0.92 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 1wgq n PHE 56 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1wgq s THR 57 N -2.32 0.00 0.03 4.37 2.01 0.50 -4.76 115.64 115.47 1wgq s THR 57 Ca 0.54 -1.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 1wgq s THR 57 Cb -0.07 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1wgq s THR 57 CO 0.43 0.00 0.21 -0.69 -0.69 0.00 0.00 174.62 173.88 1wgq s VAL 58 N -3.79 0.10 -0.09 3.82 1.01 -1.26 -0.15 120.40 120.04 1wgq s VAL 58 Ca 0.19 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1wgq s VAL 58 Cb -0.03 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.62 1wgq s VAL 58 CO 0.09 -0.44 0.68 0.28 0.00 0.00 0.00 175.10 175.72 1wgq s THR 59 N -2.23 0.00 0.04 3.92 -1.32 -1.11 -4.90 115.64 110.04 1wgq s THR 59 Ca -0.08 -0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.20 1wgq s THR 59 Cb -0.03 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.91 1wgq s THR 59 CO -0.02 -0.00 0.60 -0.22 -2.21 0.00 0.00 174.62 172.76 1wgq s LEU 60 N -0.92 4.48 -0.10 9.08 1.98 -1.26 -1.64 118.68 130.30 1wgq s LEU 60 Ca -0.09 1.24 0.04 0.00 -2.89 0.00 0.00 54.13 52.43 1wgq s LEU 60 Cb -0.01 -2.93 -0.00 0.00 0.66 0.00 0.00 46.19 43.91 1wgq s LEU 60 CO 0.08 0.19 -0.24 0.54 -1.89 0.00 0.00 176.35 175.03 1wgq s VAL 61 N -0.68 2.07 0.23 1.68 0.11 -1.00 -4.96 120.40 117.85 1wgq s VAL 61 Ca 0.30 -1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 1wgq s VAL 61 Cb -0.19 -1.78 0.08 0.00 -1.53 0.00 0.00 36.38 32.96 1wgq s VAL 61 CO 0.19 0.56 1.69 0.07 -3.33 0.00 0.00 175.10 174.28 1wgq h LYS 62 N 6.67 0.85 -2.35 1.54 2.10 -1.86 -3.40 116.57 120.11 1wgq h LYS 62 Ca -0.20 -0.27 0.25 0.00 -2.00 0.00 0.00 60.65 58.43 1wgq h LYS 62 Cb 1.24 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 32.41 1wgq h LYS 62 CO 0.47 0.89 -0.48 -0.25 -2.00 0.00 0.00 179.45 178.09 1wgq n ASP 63 N -4.17 -5.69 -0.00 7.07 9.92 -1.26 -3.84 116.55 118.58 1wgq n ASP 63 Ca 0.02 0.54 0.03 0.00 -0.53 0.00 0.00 54.79 54.84 1wgq n ASP 63 Cb 0.35 -3.34 -0.04 0.00 -0.64 0.00 0.00 41.12 37.45 1wgq n ASP 63 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1wgq n GLU 64 N -3.25 2.35 0.11 -1.24 0.28 -1.26 -4.59 120.64 113.05 1wgq n GLU 64 Ca -0.01 -0.03 -0.24 0.00 -0.16 0.00 0.00 57.16 56.72 1wgq n GLU 64 Cb 0.62 -0.98 -0.15 0.00 1.43 0.00 0.00 31.44 32.35 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1wgq h ASN 65 N 0.00 0.74 -4.11 -1.84 -0.73 -1.98 -3.46 115.58 104.19 1wgq h ASN 65 Ca 0.00 -0.91 -0.17 0.00 1.87 0.00 0.00 56.30 57.09 1wgq h ASN 65 Cb 0.21 -0.24 -0.25 0.00 0.27 0.00 0.00 38.32 38.31 1wgq h ASN 65 CO 0.00 1.74 -0.47 -0.44 -0.37 0.00 0.00 177.43 177.89 1wgq s SER 66 N -7.45 -0.16 1.06 1.15 0.01 -1.26 -5.17 113.70 101.88 1wgq s SER 66 Ca -0.12 0.26 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 1wgq s SER 66 Cb 0.05 0.36 0.09 0.00 0.21 0.00 0.00 66.02 66.74 1wgq s SER 66 CO 0.90 -0.15 0.39 -1.84 0.41 0.00 0.00 173.24 172.96 1wgq n GLU 67 N 2.57 -1.31 -1.21 12.44 0.28 -1.25 -4.14 120.64 128.03 1wgq n GLU 67 Ca -0.15 -0.62 -0.58 0.00 -0.16 0.00 0.00 57.16 55.65 1wgq n GLU 67 Cb 0.58 -0.52 -0.12 0.00 1.43 0.00 0.00 31.44 32.81 1wgq n GLU 67 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1wgq n SER 68 N -3.52 0.73 0.00 -1.84 3.41 -1.26 -3.79 113.62 107.35 1wgq n SER 68 Ca 0.05 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1wgq n SER 68 Cb 0.20 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1wgq n SER 68 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wgq n LYS 69 N 7.26 0.00 -3.91 4.33 4.81 -1.26 -4.64 118.16 124.75 1wgq n LYS 69 Ca 0.53 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.62 1wgq n LYS 69 Cb -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 34.96 1wgq n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wgq s VAL 70 N 0.00 5.43 0.39 3.15 0.11 -1.25 -3.40 120.40 124.83 1wgq s VAL 70 Ca 0.00 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1wgq s VAL 70 Cb 0.00 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1wgq s VAL 70 CO 0.00 0.46 0.15 0.72 -3.33 0.00 0.00 175.10 173.11 1wgq s PHE 71 N -1.18 1.77 0.05 1.54 -0.71 0.23 -2.38 117.98 117.29 1wgq s PHE 71 Ca 0.21 -1.34 0.05 0.00 -1.04 0.00 0.00 56.93 54.81 1wgq s PHE 71 Cb -0.12 -1.07 -0.02 0.00 -1.21 0.00 0.00 43.02 40.59 1wgq s PHE 71 CO 0.12 -0.39 -0.15 -0.65 -1.34 0.00 0.00 175.22 172.81 1wgq s GLN 72 N -3.69 0.93 -0.62 1.99 -0.21 -0.65 0.19 119.66 117.60 1wgq s GLN 72 Ca 0.27 -0.81 -0.19 0.00 0.02 0.00 0.00 55.36 54.65 1wgq s GLN 72 Cb 0.03 -0.95 0.10 0.00 1.00 0.00 0.00 33.01 33.19 1wgq s GLN 72 CO 0.17 0.23 0.76 -1.17 -2.12 0.00 0.00 175.29 173.15 1wgq s LEU 73 N -1.27 5.30 0.35 2.90 2.96 0.33 -2.75 118.68 126.50 1wgq s LEU 73 Ca 0.01 -1.45 -0.20 0.00 -0.22 0.00 0.00 54.13 52.27 1wgq s LEU 73 Cb -0.08 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.19 1wgq s LEU 73 CO 0.02 -1.14 0.86 -0.76 -1.32 0.00 0.00 176.35 174.01 1wgq s LEU 74 N 2.78 4.12 -0.20 -0.68 1.43 0.79 0.14 118.68 127.05 1wgq s LEU 74 Ca 0.14 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1wgq s LEU 74 Cb -0.22 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 41.91 1wgq s LEU 74 CO 0.05 -0.20 0.07 -2.28 0.23 0.00 0.00 176.35 174.23 1wgq s HIS 75 N -1.90 0.66 0.00 0.29 5.65 0.51 0.19 115.29 120.68 1wgq s HIS 75 Ca 0.54 -0.71 0.00 0.00 0.25 0.00 0.00 55.06 55.15 1wgq s HIS 75 Cb -0.13 -0.93 0.00 0.00 -1.18 0.00 0.00 32.58 30.35 1wgq s HIS 75 CO 0.18 -0.62 0.00 1.63 -0.65 0.00 0.00 174.74 175.28 1wgq n LYS 76 N 5.15 -1.17 0.00 2.88 5.02 -1.23 -1.39 118.16 127.42 1wgq n LYS 76 Ca -0.07 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1wgq n LYS 76 Cb 0.47 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 1wgq n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgq n GLY 77 N -0.64 1.91 3.78 0.72 0.00 -1.26 -5.08 105.19 104.61 1wgq n GLY 77 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1wgq n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wgq s MET 78 N -0.14 4.13 0.29 1.61 -1.94 -0.48 -4.99 119.30 117.79 1wgq s MET 78 Ca 0.00 0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 54.08 1wgq s MET 78 Cb 0.00 -3.33 -0.11 0.00 2.01 0.00 0.00 34.83 33.40 1wgq s MET 78 CO 0.00 0.43 1.57 0.08 -0.01 0.00 0.00 175.02 177.08 1wgq s VAL 79 N -0.22 2.14 -0.14 -6.03 1.01 -1.26 0.19 120.40 116.09 1wgq s VAL 79 Ca 0.24 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1wgq s VAL 79 Cb -0.16 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 1wgq s VAL 79 CO 0.11 0.02 -0.08 0.33 0.00 0.00 0.00 175.10 175.48 1wgq n PHE 80 N 2.06 0.00 -3.79 5.22 7.35 0.37 -4.78 117.46 123.89 1wgq n PHE 80 Ca 0.07 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1wgq n PHE 80 Cb 0.38 -0.57 -0.00 0.00 0.35 0.00 0.00 39.48 39.63 1wgq n PHE 80 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1wgq s TYR 81 N -2.29 -0.06 0.21 -5.13 2.02 -1.08 -4.98 117.35 106.04 1wgq s TYR 81 Ca -0.16 -0.29 0.09 0.00 -0.37 0.00 0.00 57.07 56.34 1wgq s TYR 81 Cb 0.05 0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 42.23 1wgq s TYR 81 CO 0.38 -0.89 -0.08 0.08 -1.57 0.00 0.00 175.55 173.47 1wgq s VAL 82 N -2.91 3.18 -0.12 0.71 1.01 -1.04 0.12 120.40 121.36 1wgq s VAL 82 Ca 0.15 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.25 1wgq s VAL 82 Cb -0.02 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1wgq s VAL 82 CO 0.04 -0.21 0.29 -0.36 0.00 0.00 0.00 175.10 174.86 1wgq s PHE 83 N -1.94 -0.37 0.02 5.22 0.08 0.13 -2.61 117.98 118.52 1wgq s PHE 83 Ca 0.27 0.86 0.07 0.00 0.12 0.00 0.00 56.93 58.25 1wgq s PHE 83 Cb -0.08 0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.46 1wgq s PHE 83 CO 0.16 -0.21 -0.21 0.21 -0.10 0.00 0.00 175.22 175.06 1wgq s LYS 84 N 0.78 1.56 0.09 0.44 2.20 -1.10 0.76 119.74 124.47 1wgq s LYS 84 Ca -0.05 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 54.74 1wgq s LYS 84 Cb -0.06 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 1wgq s LYS 84 CO -0.05 0.42 -0.11 0.00 -0.36 0.00 0.00 175.35 175.25 1wgq s ALA 85 N -0.69 2.91 0.11 3.13 0.00 -1.22 -3.48 121.76 122.52 1wgq s ALA 85 Ca 0.08 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.53 1wgq s ALA 85 Cb -0.09 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 1wgq s ALA 85 CO 0.01 0.63 1.46 -0.44 0.00 0.00 0.00 175.76 177.42 1wgq h ASP 86 N 3.75 -1.54 -0.66 0.00 5.19 -1.91 -3.43 116.42 117.82 1wgq h ASP 86 Ca -0.49 0.20 -0.56 0.00 -0.62 0.00 0.00 57.03 55.56 1wgq h ASP 86 Cb 1.17 0.63 -0.03 0.00 0.18 0.00 0.00 39.33 41.27 1wgq h ASP 86 CO 0.51 -0.35 -0.25 -1.81 -3.12 0.00 0.00 179.24 174.22 1wgq s ASP 87 N -4.63 4.77 -0.11 6.45 1.01 -1.26 -5.06 116.67 117.84 1wgq s ASP 87 Ca -0.12 -1.13 -0.19 0.00 0.71 0.00 0.00 52.55 51.82 1wgq s ASP 87 Cb 0.07 0.35 -0.27 0.00 1.01 0.00 0.00 42.92 44.08 1wgq s ASP 87 CO 0.51 -1.15 0.59 0.00 0.21 0.00 0.00 175.17 175.33 1wgq h ALA 88 N 0.61 0.12 -1.09 5.23 0.00 -1.83 -3.26 119.26 119.05 1wgq h ALA 88 Ca -0.35 -0.97 0.32 0.00 0.00 0.00 0.00 54.91 53.90 1wgq h ALA 88 Cb 1.30 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1wgq h ALA 88 CO 0.53 0.64 0.78 0.45 0.00 0.00 0.00 179.25 181.65 1wgq h HIS 89 N -0.50 0.03 -0.16 0.00 3.86 -1.97 0.78 115.15 117.20 1wgq h HIS 89 Ca -0.25 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.77 1wgq h HIS 89 Cb 1.59 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 30.06 1wgq h HIS 89 CO 0.15 0.00 -0.65 0.77 0.86 0.00 0.00 177.93 179.06 1wgq h SER 90 N 0.02 0.85 -0.19 2.45 0.02 -1.96 -3.29 113.55 111.43 1wgq h SER 90 Ca 0.52 -0.62 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1wgq h SER 90 Cb 2.07 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 64.33 1wgq h SER 90 CO -0.02 1.32 -0.23 0.74 -1.14 0.00 0.00 176.83 177.50 1wgq h THR 91 N 0.43 0.00 -0.94 -2.27 2.02 0.55 -0.35 112.91 112.35 1wgq h THR 91 Ca -0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.30 1wgq h THR 91 Cb 1.28 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.53 1wgq h THR 91 CO 0.14 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.69 1wgq n GLN 92 N -3.81 -0.19 0.06 6.66 1.13 -1.14 0.89 117.38 120.98 1wgq n GLN 92 Ca -0.01 1.45 -0.10 0.00 -1.94 0.00 0.00 57.00 56.40 1wgq n GLN 92 Cb 0.14 -2.15 -0.06 0.00 0.11 0.00 0.00 30.24 28.28 1wgq n GLN 92 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wgq h ARG 93 N 0.00 -0.42 -0.43 -1.09 3.08 -1.22 1.06 114.38 115.37 1wgq h ARG 93 Ca 0.36 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.52 1wgq h ARG 93 Cb 0.59 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.65 1wgq h ARG 93 CO -0.94 -0.28 -0.22 -1.49 -1.07 0.00 0.00 179.97 175.97 1wgq h TRP 94 N -0.44 -0.55 -0.05 3.04 4.06 0.70 1.40 115.95 124.11 1wgq h TRP 94 Ca -0.00 0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.02 1wgq h TRP 94 Cb 0.45 0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.87 1wgq h TRP 94 CO -0.41 -0.30 -0.42 0.82 -3.56 0.00 0.00 178.44 174.57 1wgq h ILE 95 N -0.14 0.00 -0.66 1.49 2.04 0.13 1.47 117.51 121.84 1wgq h ILE 95 Ca 0.20 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.17 1wgq h ILE 95 Cb 0.45 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 1wgq h ILE 95 CO -0.51 0.00 0.26 -0.78 0.00 0.00 0.00 178.15 177.12 1wgq h ASP 96 N -0.49 0.27 -0.39 1.72 3.58 0.22 0.83 116.42 122.16 1wgq h ASP 96 Ca 0.02 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.59 1wgq h ASP 96 Cb 0.55 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1wgq h ASP 96 CO -0.31 0.15 0.14 0.00 -2.88 0.00 0.00 179.24 176.34 1wgq h ALA 97 N 1.45 0.46 0.00 -0.78 0.00 0.34 1.32 119.26 122.04 1wgq h ALA 97 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wgq h ALA 97 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wgq h ALA 97 CO -0.33 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 179.87 1wgq n PHE 98 N -5.00 0.80 -0.05 0.00 3.72 0.49 -2.78 117.46 114.63 1wgq n PHE 98 Ca 0.02 0.28 -0.03 0.00 -0.05 0.00 0.00 57.45 57.66 1wgq n PHE 98 Cb 0.14 -0.95 -0.01 0.00 -0.94 0.00 0.00 39.48 37.71 1wgq n PHE 98 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1wgq h GLN 99 N 0.00 0.00 -1.31 -1.08 4.20 0.32 -3.31 115.11 113.93 1wgq h GLN 99 Ca 0.00 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.10 1wgq h GLN 99 Cb 0.49 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.18 1wgq h GLN 99 CO 0.00 0.00 0.88 0.93 -0.67 0.00 0.00 178.83 179.97 1wgq h GLU 100 N -0.78 0.13 0.00 1.46 5.08 0.15 -0.99 114.58 119.62 1wgq h GLU 100 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wgq h GLU 100 Cb 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wgq h GLU 100 CO 0.00 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1wgq n GLY 101 N -1.62 -2.30 0.33 -3.84 0.00 -1.12 -3.04 105.19 93.60 1wgq n GLY 101 Ca 0.33 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.57 1wgq n GLY 101 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wgq h THR 102 N 0.00 0.24 -2.18 2.61 1.35 -1.12 -3.40 112.91 110.41 1wgq h THR 102 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1wgq h THR 102 Cb 0.00 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.40 1wgq h THR 102 CO 0.00 0.04 0.00 1.33 -0.25 0.00 0.00 175.52 176.64 1wgq n VAL 103 N -5.14 0.00 -2.03 6.82 0.24 -0.47 -4.55 118.33 113.20 1wgq n VAL 103 Ca 0.30 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.60 1wgq n VAL 103 Cb 0.96 -1.61 -0.00 0.00 -1.47 0.00 0.00 33.84 31.71 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wgq n SER 104 N -1.24 -0.01 -4.59 -1.34 2.88 -1.25 -4.88 113.62 103.20 1wgq n SER 104 Ca 0.00 -1.51 -0.31 0.00 -1.33 0.00 0.00 58.87 55.72 1wgq n SER 104 Cb 0.00 -0.07 0.18 0.00 -0.75 0.00 0.00 64.21 63.56 1wgq n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgq n GLY 105 N 0.03 -0.95 3.80 0.46 0.00 -1.26 -4.99 105.19 102.28 1wgq n GLY 105 Ca -0.02 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1wgq n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgq s PRO 106 N -4.42 2.07 0.07 1.61 0.04 -1.26 -4.91 135.00 128.20 1wgq s PRO 106 Ca 0.65 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1wgq s PRO 106 Cb -0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wgq s PRO 106 CO 0.61 -1.63 0.00 0.45 0.04 0.00 0.00 177.00 176.47 1wgq n SER 107 N -3.44 -0.61 -4.63 6.66 2.88 -1.26 -4.96 113.62 108.27 1wgq n SER 107 Ca 0.07 0.55 -0.41 0.00 -1.33 0.00 0.00 58.87 57.75 1wgq n SER 107 Cb 0.56 0.98 -0.05 0.00 -0.75 0.00 0.00 64.21 64.96 1wgq n SER 107 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgq s SER 108 N -1.98 6.72 0.00 -3.46 0.15 -1.26 -4.91 113.70 108.96 1wgq s SER 108 Ca 0.00 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wgq s SER 108 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1wgq s SER 108 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55