#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq s SER 2 N 0.00 5.42 0.44 1.61 0.15 -1.26 -5.01 113.70 115.05 1wgq s SER 2 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wgq s SER 2 Cb 0.00 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1wgq s SER 2 CO 0.00 -0.06 0.00 -1.20 1.20 0.00 0.00 173.24 173.18 1wgq n SER 3 N -1.17 -5.60 -4.18 5.45 7.64 -1.26 -4.91 113.62 109.59 1wgq n SER 3 Ca -0.07 1.09 -0.29 0.00 1.01 0.00 0.00 58.87 60.61 1wgq n SER 3 Cb 0.58 -3.46 0.27 0.00 -1.01 0.00 0.00 64.21 60.59 1wgq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgq s GLY 4 N -5.98 1.50 -0.34 0.23 0.00 -1.26 -5.03 107.32 96.44 1wgq s GLY 4 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1wgq s GLY 4 CO 0.00 0.47 0.16 -0.56 0.00 0.00 0.00 173.10 173.17 1wgq s SER 5 N -2.67 3.57 -0.86 1.64 0.01 -1.26 -5.07 113.70 109.05 1wgq s SER 5 Ca 0.69 -1.88 -0.25 0.00 1.31 0.00 0.00 55.95 55.82 1wgq s SER 5 Cb -0.22 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.38 1wgq s SER 5 CO 0.63 -0.37 1.54 -0.44 0.41 0.00 0.00 173.24 175.02 1wgq s SER 6 N 1.36 6.00 0.23 2.44 0.01 -1.26 -4.82 113.70 117.66 1wgq s SER 6 Ca 0.13 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1wgq s SER 6 Cb -0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1wgq s SER 6 CO -0.17 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.16 1wgq n GLY 7 N 6.29 -1.93 3.35 3.44 0.00 -1.26 -4.85 105.19 110.22 1wgq n GLY 7 Ca 0.24 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1wgq n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 8 N -1.42 -2.46 -0.20 1.61 7.64 -1.26 -4.83 113.62 112.70 1wgq n SER 8 Ca 0.00 0.65 -0.00 0.00 1.01 0.00 0.00 58.87 60.53 1wgq n SER 8 Cb 0.13 -1.02 0.10 0.00 -1.01 0.00 0.00 64.21 62.42 1wgq n SER 8 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wgq h THR 9 N -0.01 0.76 -1.06 0.44 2.02 -1.89 -3.43 112.91 109.74 1wgq h THR 9 Ca -0.44 -0.13 0.17 0.00 0.77 0.00 0.00 66.41 66.78 1wgq h THR 9 Cb 1.41 0.35 -0.26 0.00 -1.74 0.00 0.00 68.15 67.91 1wgq h THR 9 CO 0.43 0.07 0.34 -0.32 0.37 0.00 0.00 175.52 176.41 1wgq s MET 10 N -6.10 0.27 0.00 6.66 0.00 -1.26 -5.07 119.30 113.79 1wgq s MET 10 Ca -0.13 0.59 0.00 0.00 0.00 0.00 0.00 55.69 56.16 1wgq s MET 10 Cb 0.17 0.27 0.00 0.00 0.00 0.00 0.00 34.83 35.27 1wgq s MET 10 CO 0.74 -0.08 0.00 -1.13 0.00 0.00 0.00 175.02 174.55 1wgq n SER 11 N 4.45 0.00 0.00 1.11 3.41 -1.26 -1.32 113.62 120.01 1wgq n SER 11 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1wgq n SER 11 Cb 0.54 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1wgq n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgq n GLY 12 N 0.39 0.67 3.31 5.00 0.00 -1.26 -4.20 105.19 109.09 1wgq n GLY 12 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 1wgq n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgq s TYR 13 N 0.00 1.88 0.25 1.61 2.02 -1.26 -3.89 117.35 117.96 1wgq s TYR 13 Ca 0.00 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1wgq s TYR 13 Cb 0.00 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 1wgq s TYR 13 CO 0.00 0.24 0.31 -0.51 -1.57 0.00 0.00 175.55 174.02 1wgq s LEU 14 N -1.98 0.89 -0.19 -1.29 1.43 -1.09 -4.59 118.68 111.86 1wgq s LEU 14 Ca 0.08 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1wgq s LEU 14 Cb -0.10 1.02 0.04 0.00 0.03 0.00 0.00 46.19 47.18 1wgq s LEU 14 CO 0.05 -1.02 -0.13 -0.31 0.23 0.00 0.00 176.35 175.16 1wgq s TYR 15 N -3.90 2.57 -0.03 0.29 2.02 -1.15 -2.61 117.35 114.54 1wgq s TYR 15 Ca 0.32 -1.64 -0.18 0.00 -0.37 0.00 0.00 57.07 55.20 1wgq s TYR 15 Cb 0.03 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 1wgq s TYR 15 CO 0.13 -0.76 0.50 0.50 -1.57 0.00 0.00 175.55 174.35 1wgq s ARG 16 N 1.35 4.20 0.05 -0.62 3.52 -1.15 -2.51 118.95 123.78 1wgq s ARG 16 Ca 0.00 0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 56.12 1wgq s ARG 16 Cb -0.15 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1wgq s ARG 16 CO -0.09 0.41 0.02 0.45 -0.81 0.00 0.00 175.30 175.28 1wgq s SER 17 N -0.26 0.38 -0.10 -2.12 0.15 -0.53 -2.27 113.70 108.96 1wgq s SER 17 Ca 0.27 -0.86 0.19 0.00 0.70 0.00 0.00 55.95 56.25 1wgq s SER 17 Cb -0.17 0.22 0.72 0.00 -1.71 0.00 0.00 66.02 65.08 1wgq s SER 17 CO 0.14 -0.59 1.63 0.29 1.20 0.00 0.00 173.24 175.91 1wgq n LYS 18 N 0.27 3.63 -0.60 5.44 4.76 -1.26 -0.15 118.16 130.25 1wgq n LYS 18 Ca -0.15 -2.87 0.00 0.00 -2.87 0.00 0.00 58.31 52.42 1wgq n LYS 18 Cb 0.60 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgq n GLY 19 N 1.24 0.66 3.91 0.72 0.00 -1.26 -4.97 105.19 105.49 1wgq n GLY 19 Ca 0.26 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 1wgq n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 20 N -4.00 4.71 -1.40 1.61 0.01 -1.26 -3.70 113.70 109.66 1wgq s SER 20 Ca 0.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wgq s SER 20 Cb 0.00 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1wgq s SER 20 CO 0.00 -1.75 0.00 0.29 0.41 0.00 0.00 173.24 172.19 1wgq n LYS 21 N -3.18 -1.39 -4.22 12.44 5.02 -1.26 -4.91 118.16 120.67 1wgq n LYS 21 Ca 0.08 0.78 -0.25 0.00 -2.02 0.00 0.00 58.31 56.89 1wgq n LYS 21 Cb 0.60 -5.07 -0.07 0.00 -0.02 0.00 0.00 35.03 30.47 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 -3.34 2.42 0.04 1.97 -0.14 -1.24 -5.09 119.74 114.36 1wgq s LYS 22 Ca 0.00 -1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 1wgq s LYS 22 Cb 0.00 -2.34 -0.05 0.00 -1.68 0.00 0.00 37.83 33.76 1wgq s LYS 22 CO 0.00 0.43 1.17 -1.25 -0.76 0.00 0.00 175.35 174.95 1wgq s PRO 23 N -3.15 4.44 0.10 -1.68 0.04 -1.26 -4.99 135.00 128.49 1wgq s PRO 23 Ca 0.29 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1wgq s PRO 23 Cb -0.09 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1wgq s PRO 23 CO 0.19 -0.25 1.00 -1.58 0.04 0.00 0.00 177.00 176.41 1wgq s TRP 24 N 1.16 3.73 -0.42 0.56 0.52 -1.26 -4.76 118.94 118.47 1wgq s TRP 24 Ca 0.58 1.72 -0.08 0.00 0.02 0.00 0.00 56.10 58.33 1wgq s TRP 24 Cb -0.28 -3.13 0.09 0.00 -1.15 0.00 0.00 33.47 29.00 1wgq s TRP 24 CO 0.28 -0.06 0.26 0.15 0.02 0.00 0.00 176.95 177.60 1wgq s LYS 25 N 0.18 2.52 -0.50 4.98 3.01 -0.96 -4.96 119.74 124.01 1wgq s LYS 25 Ca 0.49 -1.53 -0.26 0.00 -1.01 0.00 0.00 55.97 53.66 1wgq s LYS 25 Cb -0.24 -3.76 -0.06 0.00 -1.01 0.00 0.00 37.83 32.76 1wgq s LYS 25 CO 0.30 -0.99 2.25 -1.01 0.51 0.00 0.00 175.35 176.42 1wgq s HIS 26 N 1.38 1.23 0.23 3.18 3.76 -1.26 -2.96 115.29 120.86 1wgq s HIS 26 Ca 0.04 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.32 1wgq s HIS 26 Cb -0.23 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 29.67 1wgq s HIS 26 CO 0.01 -2.58 -0.10 -0.51 -0.85 0.00 0.00 174.74 170.70 1wgq s LEU 27 N 11.11 2.51 -0.08 0.89 1.43 -1.07 -4.98 118.68 128.49 1wgq s LEU 27 Ca 0.90 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1wgq s LEU 27 Cb -0.17 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1wgq s LEU 27 CO 0.25 -0.26 0.10 0.86 0.23 0.00 0.00 176.35 177.54 1wgq s TRP 28 N -3.03 3.44 0.03 0.29 -0.11 -0.72 -2.67 118.94 116.17 1wgq s TRP 28 Ca 0.25 0.38 0.02 0.00 1.22 0.00 0.00 56.10 57.96 1wgq s TRP 28 Cb 0.01 -1.86 -0.02 0.00 -1.50 0.00 0.00 33.47 30.11 1wgq s TRP 28 CO 0.08 0.63 -0.06 -0.06 -4.62 0.00 0.00 176.95 172.93 1wgq s PHE 29 N -1.06 0.53 0.05 5.86 0.08 -1.25 0.40 117.98 122.59 1wgq s PHE 29 Ca 0.17 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1wgq s PHE 29 Cb -0.12 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1wgq s PHE 29 CO 0.07 -0.08 -0.06 0.08 -0.10 0.00 0.00 175.22 175.13 1wgq s VAL 30 N -1.07 0.44 -0.30 -0.44 1.01 -0.87 -4.09 120.40 115.08 1wgq s VAL 30 Ca -0.08 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.53 1wgq s VAL 30 Cb -0.08 -0.98 0.08 0.00 0.00 0.00 0.00 36.38 35.40 1wgq s VAL 30 CO 0.00 -0.64 -0.01 -0.63 0.00 0.00 0.00 175.10 173.81 1wgq s ILE 31 N -2.43 2.18 0.02 2.22 1.01 -0.44 -0.80 121.20 122.96 1wgq s ILE 31 Ca -0.02 -2.01 0.02 0.00 0.00 0.00 0.00 60.65 58.64 1wgq s ILE 31 Cb -0.03 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1wgq s ILE 31 CO -0.03 -0.36 -0.07 -0.75 0.00 0.00 0.00 174.94 173.73 1wgq s LYS 32 N 1.01 0.52 -1.11 2.79 2.20 -0.69 -4.58 119.74 119.89 1wgq s LYS 32 Ca 0.03 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1wgq s LYS 32 Cb -0.19 -0.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 1wgq s LYS 32 CO -0.07 0.10 0.00 -1.71 -0.36 0.00 0.00 175.35 173.31 1wgq n ASN 33 N 2.28 -3.87 -2.61 1.43 5.15 -1.26 0.11 115.26 116.50 1wgq n ASN 33 Ca -0.17 0.21 -0.19 0.00 -0.60 0.00 0.00 54.58 53.83 1wgq n ASN 33 Cb 0.56 -3.33 0.04 0.00 -0.53 0.00 0.00 39.78 36.52 1wgq n ASN 33 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1wgq n LYS 34 N -2.67 -4.51 -4.63 1.20 3.00 -1.26 -4.95 118.16 104.34 1wgq n LYS 34 Ca -0.15 0.74 -0.23 0.00 -0.00 0.00 0.00 58.31 58.67 1wgq n LYS 34 Cb 0.58 -5.28 -0.16 0.00 0.00 0.00 0.00 35.03 30.18 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1wgq s VAL 35 N -3.10 1.13 -0.85 3.15 1.01 0.31 -2.15 120.40 119.89 1wgq s VAL 35 Ca 0.29 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1wgq s VAL 35 Cb -0.13 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.38 1wgq s VAL 35 CO 0.36 0.33 1.10 -0.22 0.00 0.00 0.00 175.10 176.68 1wgq s LEU 36 N 0.12 4.72 0.35 3.92 1.98 0.16 -1.70 118.68 128.23 1wgq s LEU 36 Ca -0.04 -1.67 -0.25 0.00 -2.89 0.00 0.00 54.13 49.28 1wgq s LEU 36 Cb -0.10 -2.42 -0.10 0.00 0.66 0.00 0.00 46.19 44.23 1wgq s LEU 36 CO 0.01 -1.22 0.96 -0.31 -1.89 0.00 0.00 176.35 173.91 1wgq s TYR 37 N 3.30 3.57 0.11 5.38 2.02 0.02 -3.06 117.35 128.69 1wgq s TYR 37 Ca 0.31 1.74 0.01 0.00 -0.37 0.00 0.00 57.07 58.75 1wgq s TYR 37 Cb -0.08 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1wgq s TYR 37 CO -0.04 0.04 0.26 0.99 -1.57 0.00 0.00 175.55 175.23 1wgq s THR 38 N -1.71 5.34 0.37 -0.71 2.01 0.10 -2.04 115.64 119.00 1wgq s THR 38 Ca 0.53 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 1wgq s THR 38 Cb -0.18 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1wgq s THR 38 CO 0.23 0.02 0.71 -0.31 -0.69 0.00 0.00 174.62 174.58 1wgq s TYR 39 N -1.64 0.35 0.00 4.92 2.02 0.16 -1.03 117.35 122.13 1wgq s TYR 39 Ca 0.35 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1wgq s TYR 39 Cb -0.12 0.61 0.00 0.00 -0.40 0.00 0.00 41.96 42.05 1wgq s TYR 39 CO 0.28 -1.46 0.00 0.00 -1.57 0.00 0.00 175.55 172.80 1wgq n ALA 40 N -0.54 2.26 -2.28 3.71 0.00 -1.26 -1.76 120.51 120.63 1wgq n ALA 40 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 1wgq n ALA 40 Cb 0.60 0.49 -0.09 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.98 0.87 -0.12 0.00 0.00 -1.26 -4.00 121.76 115.27 1wgq s ALA 41 Ca 0.00 -1.50 0.20 0.00 0.00 0.00 0.00 51.96 50.66 1wgq s ALA 41 Cb 0.00 1.13 0.43 0.00 0.00 0.00 0.00 23.12 24.68 1wgq s ALA 41 CO 0.00 -0.57 1.61 1.03 0.00 0.00 0.00 175.76 177.83 1wgq h SER 42 N 2.68 0.00 -0.34 0.00 0.87 -1.99 -2.97 113.55 111.81 1wgq h SER 42 Ca -0.35 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 1wgq h SER 42 Cb 1.23 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 1wgq h SER 42 CO 0.54 0.29 0.09 -1.84 -0.53 0.00 0.00 176.83 175.38 1wgq n GLU 43 N -3.24 2.60 -1.64 2.24 0.28 -1.26 -4.92 120.64 114.69 1wgq n GLU 43 Ca 0.02 -1.56 -0.32 0.00 -0.16 0.00 0.00 57.16 55.14 1wgq n GLU 43 Cb 0.58 -1.81 0.05 0.00 1.43 0.00 0.00 31.44 31.70 1wgq n GLU 43 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1wgq s ASP 44 N -0.32 5.14 -0.01 -1.84 1.47 -1.12 -4.97 116.67 115.01 1wgq s ASP 44 Ca 0.28 1.84 0.15 0.00 1.18 0.00 0.00 52.55 55.99 1wgq s ASP 44 Cb 0.22 -2.53 -0.21 0.00 -0.34 0.00 0.00 42.92 40.06 1wgq s ASP 44 CO 0.07 -1.61 0.40 1.33 0.68 0.00 0.00 175.17 176.04 1wgq n VAL 45 N -2.79 0.00 -3.57 2.11 0.24 -1.26 -5.00 118.33 108.06 1wgq n VAL 45 Ca 0.09 -0.29 -0.17 0.00 -2.04 0.00 0.00 64.34 61.94 1wgq n VAL 45 Cb 0.53 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 1wgq n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgq s ALA 46 N -2.83 -1.69 0.37 2.33 0.00 -1.26 -5.15 121.76 113.52 1wgq s ALA 46 Ca -0.02 1.43 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 1wgq s ALA 46 Cb 0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 1wgq s ALA 46 CO 0.60 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 177.19 1wgq s ALA 47 N -0.76 3.26 0.19 0.00 0.00 -1.26 -4.90 121.76 118.29 1wgq s ALA 47 Ca -0.08 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 1wgq s ALA 47 Cb -0.02 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1wgq s ALA 47 CO 0.07 -0.47 1.60 -0.07 0.00 0.00 0.00 175.76 176.89 1wgq h LEU 48 N 2.98 0.94 -8.02 0.00 3.38 -1.42 -3.46 115.31 109.70 1wgq h LEU 48 Ca -0.48 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.07 1wgq h LEU 48 Cb 1.23 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1wgq h LEU 48 CO 0.64 1.09 -0.24 -1.61 0.09 0.00 0.00 178.44 178.42 1wgq s GLU 49 N -4.71 1.24 -0.02 1.13 0.41 -1.24 -4.99 118.70 110.52 1wgq s GLU 49 Ca -0.11 -1.12 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 1wgq s GLU 49 Cb 0.13 0.41 0.02 0.00 -1.78 0.00 0.00 34.13 32.91 1wgq s GLU 49 CO 0.86 -0.47 0.01 -1.54 -0.49 0.00 0.00 175.26 173.62 1wgq s SER 50 N -2.96 0.21 -0.13 -0.19 1.04 -1.26 0.01 113.70 110.42 1wgq s SER 50 Ca 0.16 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.53 1wgq s SER 50 Cb 0.02 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.09 1wgq s SER 50 CO 0.00 -0.08 0.31 -1.10 0.98 0.00 0.00 173.24 173.36 1wgq s GLN 51 N 0.73 0.26 0.02 4.02 -1.52 -1.17 -5.01 119.66 116.98 1wgq s GLN 51 Ca -0.07 0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 53.71 1wgq s GLN 51 Cb -0.10 -0.05 -0.05 0.00 -0.22 0.00 0.00 33.01 32.60 1wgq s GLN 51 CO -0.02 -0.18 1.19 -1.25 -0.25 0.00 0.00 175.29 174.78 1wgq s PRO 52 N 1.55 4.41 0.31 2.91 0.04 -1.26 0.36 135.00 143.33 1wgq s PRO 52 Ca -0.07 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.74 1wgq s PRO 52 Cb -0.10 -3.43 0.52 0.00 0.04 0.00 0.00 34.50 31.53 1wgq s PRO 52 CO -0.10 -0.31 1.76 -0.07 0.04 0.00 0.00 177.00 178.32 1wgq h LEU 53 N 7.29 0.31 -8.34 -3.56 3.38 -1.76 -3.42 115.31 109.21 1wgq h LEU 53 Ca -0.39 -0.11 -0.54 0.00 0.09 0.00 0.00 57.88 56.93 1wgq h LEU 53 Cb 1.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1wgq h LEU 53 CO 0.83 0.60 1.61 -0.11 0.09 0.00 0.00 178.44 181.47 1wgq n LEU 54 N -4.11 1.46 0.00 1.67 -0.00 -1.25 -0.95 117.00 113.82 1wgq n LEU 54 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1wgq n LEU 54 Cb 0.40 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 1wgq n LEU 54 CO 0.41 -1.02 0.00 0.61 -0.00 0.00 0.00 177.39 177.39 1wgq n GLY 55 N 6.39 1.93 0.63 -3.96 0.00 -1.25 -5.06 105.19 103.87 1wgq n GLY 55 Ca 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.21 -0.15 -3.92 1.61 3.01 -0.12 -4.47 117.46 113.20 1wgq n PHE 56 Ca 0.00 -0.55 -0.09 0.00 1.01 0.00 0.00 57.45 57.83 1wgq n PHE 56 Cb 0.00 0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.25 0.00 0.08 4.37 2.01 0.48 -4.77 115.64 115.56 1wgq s THR 57 Ca 0.08 -1.20 -0.08 0.00 0.31 0.00 0.00 61.69 60.79 1wgq s THR 57 Cb 0.00 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.28 1wgq s THR 57 CO 0.05 0.00 0.18 0.54 -0.69 0.00 0.00 174.62 174.70 1wgq s VAL 58 N -3.70 0.15 0.01 3.82 0.11 -1.26 0.02 120.40 119.54 1wgq s VAL 58 Ca 0.17 -1.20 -0.29 0.00 -2.93 0.00 0.00 61.98 57.74 1wgq s VAL 58 Cb -0.03 -1.32 0.10 0.00 -1.53 0.00 0.00 36.38 33.60 1wgq s VAL 58 CO 0.09 -0.66 0.95 0.28 -3.33 0.00 0.00 175.10 172.43 1wgq s THR 59 N -3.77 0.00 0.16 5.04 -1.32 -0.99 -4.86 115.64 109.90 1wgq s THR 59 Ca 0.04 -0.13 -0.23 0.00 -1.21 0.00 0.00 61.69 60.16 1wgq s THR 59 Cb 0.05 -1.22 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1wgq s THR 59 CO -0.10 0.00 0.74 -0.22 -2.21 0.00 0.00 174.62 172.82 1wgq s LEU 60 N -2.56 4.54 -0.04 9.08 1.98 -1.26 -0.94 118.68 129.49 1wgq s LEU 60 Ca 0.07 1.55 0.06 0.00 -2.89 0.00 0.00 54.13 52.93 1wgq s LEU 60 Cb -0.01 -3.29 -0.01 0.00 0.66 0.00 0.00 46.19 43.54 1wgq s LEU 60 CO -0.06 0.19 -0.23 0.54 -1.89 0.00 0.00 176.35 174.89 1wgq s VAL 61 N -1.21 1.89 0.14 1.68 0.11 -1.21 -4.87 120.40 116.92 1wgq s VAL 61 Ca 0.36 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.15 1wgq s VAL 61 Cb -0.21 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.03 1wgq s VAL 61 CO 0.24 0.53 1.60 0.11 -3.33 0.00 0.00 175.10 174.25 1wgq h LYS 62 N 5.85 -0.38 0.00 1.54 6.56 -1.88 -3.44 116.57 124.81 1wgq h LYS 62 Ca -0.36 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.28 1wgq h LYS 62 Cb 1.15 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 1wgq h LYS 62 CO 0.47 -0.26 -0.03 -3.47 -2.06 0.00 0.00 179.45 174.10 1wgq n ASP 63 N -5.42 -4.79 0.00 0.86 2.03 -1.26 -4.00 116.55 103.97 1wgq n ASP 63 Ca -0.03 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1wgq n ASP 63 Cb 0.34 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1wgq n ASP 63 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1wgq n GLU 64 N -1.71 0.00 0.00 -0.67 4.07 -1.26 -4.67 120.64 116.41 1wgq n GLU 64 Ca 0.00 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 1wgq n GLU 64 Cb 0.04 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1wgq n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1wgq n ASN 65 N -1.77 2.21 -3.61 4.31 2.85 -1.26 -5.01 115.26 112.98 1wgq n ASN 65 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 1wgq n ASN 65 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 1wgq n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wgq n SER 66 N -2.39 0.27 0.22 1.20 7.64 -1.26 -4.70 113.62 114.61 1wgq n SER 66 Ca 0.00 0.19 0.11 0.00 1.01 0.00 0.00 58.87 60.18 1wgq n SER 66 Cb 0.37 -0.74 0.34 0.00 -1.01 0.00 0.00 64.21 63.17 1wgq n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1wgq h GLU 67 N 9.43 0.00 0.00 1.43 4.11 -1.87 -3.39 114.58 124.29 1wgq h GLU 67 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.30 1wgq h GLU 67 Cb 1.07 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1wgq h GLU 67 CO 1.10 0.16 -0.17 0.45 0.07 0.00 0.00 179.01 180.61 1wgq n SER 68 N -3.21 -0.72 -0.57 3.06 2.88 -1.26 -4.84 113.62 108.96 1wgq n SER 68 Ca 0.02 -1.42 0.05 0.00 -1.33 0.00 0.00 58.87 56.19 1wgq n SER 68 Cb 0.49 0.27 0.14 0.00 -0.75 0.00 0.00 64.21 64.36 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wgq n LYS 69 N -0.34 2.87 -3.57 -1.46 5.02 -1.26 -4.64 118.16 114.78 1wgq n LYS 69 Ca -0.15 -2.08 -0.14 0.00 -2.02 0.00 0.00 58.31 53.92 1wgq n LYS 69 Cb 0.60 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 1wgq n LYS 69 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wgq s VAL 70 N -1.25 0.03 0.32 -0.18 0.11 -1.26 -2.31 120.40 115.85 1wgq s VAL 70 Ca 0.22 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 1wgq s VAL 70 Cb 0.13 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1wgq s VAL 70 CO 0.13 -0.12 0.41 0.72 -3.33 0.00 0.00 175.10 172.90 1wgq s PHE 71 N -2.36 1.13 0.14 1.54 -0.71 0.18 -3.35 117.98 114.54 1wgq s PHE 71 Ca -0.06 -1.32 0.07 0.00 -1.04 0.00 0.00 56.93 54.59 1wgq s PHE 71 Cb -0.01 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1wgq s PHE 71 CO -0.01 -1.03 -0.16 -0.65 -1.34 0.00 0.00 175.22 172.03 1wgq s GLN 72 N -3.31 1.16 -0.61 1.99 -0.21 -0.12 0.37 119.66 118.92 1wgq s GLN 72 Ca 0.32 -1.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.26 1wgq s GLN 72 Cb 0.01 -1.14 0.16 0.00 1.00 0.00 0.00 33.01 33.04 1wgq s GLN 72 CO 0.20 0.23 0.52 -1.17 -2.12 0.00 0.00 175.29 172.95 1wgq s LEU 73 N -2.56 6.10 0.39 2.90 2.96 0.50 -2.34 118.68 126.63 1wgq s LEU 73 Ca 0.12 -2.21 -0.23 0.00 -0.22 0.00 0.00 54.13 51.59 1wgq s LEU 73 Cb -0.05 -2.11 -0.10 0.00 0.50 0.00 0.00 46.19 44.43 1wgq s LEU 73 CO 0.05 -0.67 0.97 -0.76 -1.32 0.00 0.00 176.35 174.62 1wgq s LEU 74 N 0.92 4.09 -0.34 -0.68 1.43 0.10 0.93 118.68 125.14 1wgq s LEU 74 Ca 0.10 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1wgq s LEU 74 Cb -0.22 -4.32 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1wgq s LEU 74 CO -0.02 -0.31 0.16 -2.28 0.23 0.00 0.00 176.35 174.12 1wgq s HIS 75 N -1.91 1.06 0.00 0.29 5.65 0.50 0.18 115.29 121.06 1wgq s HIS 75 Ca 0.58 -1.55 0.00 0.00 0.25 0.00 0.00 55.06 54.34 1wgq s HIS 75 Cb -0.14 -1.28 0.00 0.00 -1.18 0.00 0.00 32.58 29.98 1wgq s HIS 75 CO 0.19 -0.84 0.00 1.63 -0.65 0.00 0.00 174.74 175.07 1wgq n LYS 76 N 4.54 0.00 0.00 2.88 5.02 -1.26 -2.95 118.16 126.39 1wgq n LYS 76 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wgq n LYS 76 Cb 0.39 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 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 -2.25 1.45 3.83 0.72 0.00 -1.26 -5.10 105.19 102.58 1wgq n GLY 77 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.99 0.29 1.61 -1.94 -1.15 -4.98 119.30 117.12 1wgq s MET 78 Ca 0.00 0.49 -0.29 0.00 -1.71 0.00 0.00 55.69 54.18 1wgq s MET 78 Cb 0.00 -3.15 -0.10 0.00 2.01 0.00 0.00 34.83 33.59 1wgq s MET 78 CO 0.00 0.63 1.28 0.08 -0.01 0.00 0.00 175.02 176.99 1wgq s VAL 79 N -1.18 2.97 -0.15 -6.03 1.01 -1.26 0.19 120.40 115.94 1wgq s VAL 79 Ca 0.28 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.21 1wgq s VAL 79 Cb -0.17 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1wgq s VAL 79 CO 0.16 0.20 -0.10 0.33 0.00 0.00 0.00 175.10 175.69 1wgq n PHE 80 N 1.36 0.00 -3.69 5.22 7.35 0.27 -4.82 117.46 123.15 1wgq n PHE 80 Ca 0.02 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.66 1wgq n PHE 80 Cb 0.42 -0.59 -0.02 0.00 0.35 0.00 0.00 39.48 39.65 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 -2.30 -0.19 -0.30 -5.13 2.02 -1.22 -4.92 117.35 105.31 1wgq s TYR 81 Ca -0.18 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1wgq s TYR 81 Cb 0.05 0.62 0.04 0.00 -0.40 0.00 0.00 41.96 42.26 1wgq s TYR 81 CO 0.38 -0.78 0.01 0.08 -1.57 0.00 0.00 175.55 173.67 1wgq s VAL 82 N -3.28 3.21 -0.22 0.71 1.01 0.79 -0.37 120.40 122.24 1wgq s VAL 82 Ca 0.10 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1wgq s VAL 82 Cb -0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1wgq s VAL 82 CO -0.01 -0.04 0.08 -0.36 0.00 0.00 0.00 175.10 174.77 1wgq s PHE 83 N 1.32 3.17 -0.10 5.22 0.08 0.16 -1.45 117.98 126.37 1wgq s PHE 83 Ca -0.03 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 56.90 1wgq s PHE 83 Cb -0.19 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1wgq s PHE 83 CO -0.01 -0.09 -0.11 0.21 -0.10 0.00 0.00 175.22 175.12 1wgq s LYS 84 N 1.03 3.06 0.11 0.44 2.20 -1.05 0.47 119.74 125.99 1wgq s LYS 84 Ca 0.04 -0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1wgq s LYS 84 Cb -0.14 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 1wgq s LYS 84 CO 0.03 0.42 0.30 0.00 -0.36 0.00 0.00 175.35 175.74 1wgq s ALA 85 N -0.18 3.90 0.07 3.13 0.00 -0.98 -2.96 121.76 124.74 1wgq s ALA 85 Ca 0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1wgq s ALA 85 Cb -0.13 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1wgq s ALA 85 CO 0.03 0.74 1.35 -0.44 0.00 0.00 0.00 175.76 177.44 1wgq h ASP 86 N 2.92 -1.10 -5.86 0.00 3.32 -1.85 -3.44 116.42 110.40 1wgq h ASP 86 Ca -0.46 0.13 -0.45 0.00 0.02 0.00 0.00 57.03 56.27 1wgq h ASP 86 Cb 1.16 0.43 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1wgq h ASP 86 CO 0.74 -0.30 -0.14 0.47 -1.72 0.00 0.00 179.24 178.29 1wgq n ASP 87 N -4.37 2.15 -0.04 6.45 8.00 -1.26 -5.06 116.55 122.42 1wgq n ASP 87 Ca -0.04 -2.46 -0.16 0.00 0.71 0.00 0.00 54.79 52.84 1wgq n ASP 87 Cb 0.24 -0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 41.00 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgq h ALA 88 N 0.42 -0.01 -1.02 2.24 0.00 -1.84 -3.17 119.26 115.88 1wgq h ALA 88 Ca -0.26 -0.58 0.25 0.00 0.00 0.00 0.00 54.91 54.32 1wgq h ALA 88 Cb 1.08 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1wgq h ALA 88 CO 0.40 0.12 0.63 0.45 0.00 0.00 0.00 179.25 180.85 1wgq h HIS 89 N -0.84 0.86 -0.15 0.00 3.86 -1.97 0.26 115.15 117.16 1wgq h HIS 89 Ca -0.05 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1wgq h HIS 89 Cb 1.17 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1wgq h HIS 89 CO 0.25 0.08 0.07 0.77 0.86 0.00 0.00 177.93 179.96 1wgq h SER 90 N 0.51 0.20 -0.46 2.45 0.02 -1.94 -3.05 113.55 111.28 1wgq h SER 90 Ca 0.62 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.48 1wgq h SER 90 Cb 1.33 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 1wgq h SER 90 CO -0.39 0.28 -0.27 0.41 -1.14 0.00 0.00 176.83 175.72 1wgq n THR 91 N -4.90 -0.31 -0.26 -2.27 -1.04 0.91 -0.20 114.28 106.21 1wgq n THR 91 Ca -0.05 1.87 -0.03 0.00 -2.04 0.00 0.00 64.05 63.80 1wgq n THR 91 Cb 0.10 -2.38 0.03 0.00 -1.82 0.00 0.00 70.33 66.26 1wgq n THR 91 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1wgq h GLN 92 N 0.00 -0.09 0.06 -2.82 1.08 -1.51 0.62 115.11 112.45 1wgq h GLN 92 Ca 0.07 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1wgq h GLN 92 Cb 0.19 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 1wgq h GLN 92 CO -0.43 -0.06 -0.50 0.00 -0.95 0.00 0.00 178.83 176.89 1wgq h ARG 93 N -0.10 -0.65 -0.26 1.46 3.08 -0.47 0.44 114.38 117.89 1wgq h ARG 93 Ca 0.29 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.44 1wgq h ARG 93 Cb 0.57 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 1wgq h ARG 93 CO -0.78 -0.43 -0.30 -1.49 -1.07 0.00 0.00 179.97 175.90 1wgq h TRP 94 N -0.67 -0.83 -0.26 3.04 4.06 0.85 1.36 115.95 123.50 1wgq h TRP 94 Ca 0.00 0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1wgq h TRP 94 Cb 0.69 0.40 -0.05 0.00 -1.00 0.00 0.00 29.16 29.21 1wgq h TRP 94 CO -0.47 -0.37 -0.32 0.82 -3.56 0.00 0.00 178.44 174.54 1wgq h ILE 95 N -0.30 0.00 -0.70 1.49 2.04 0.99 1.00 117.51 122.03 1wgq h ILE 95 Ca 0.14 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.10 1wgq h ILE 95 Cb 0.52 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 1wgq h ILE 95 CO -0.43 0.00 0.31 -0.78 0.00 0.00 0.00 178.15 177.25 1wgq h ASP 96 N -0.21 0.36 -0.48 1.72 3.58 0.60 0.80 116.42 122.78 1wgq h ASP 96 Ca 0.04 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.66 1wgq h ASP 96 Cb 0.33 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.33 1wgq h ASP 96 CO -0.35 0.19 0.03 0.00 -2.88 0.00 0.00 179.24 176.23 1wgq h ALA 97 N 1.46 0.49 -0.33 -0.78 0.00 0.43 0.62 119.26 121.14 1wgq h ALA 97 Ca 0.36 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 1wgq h ALA 97 Cb 0.44 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wgq h ALA 97 CO -0.31 -0.36 -0.39 0.74 0.00 0.00 0.00 179.25 178.92 1wgq h PHE 98 N 0.15 1.02 0.72 0.00 0.04 0.28 -1.05 116.94 118.10 1wgq h PHE 98 Ca 0.24 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1wgq h PHE 98 Cb 0.35 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1wgq h PHE 98 CO -0.28 1.12 -0.42 1.96 -0.60 0.00 0.00 178.31 180.10 1wgq h GLN 99 N 0.62 -1.02 -0.47 1.51 1.08 0.16 0.77 115.11 117.76 1wgq h GLN 99 Ca 0.04 0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1wgq h GLN 99 Cb 0.98 0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1wgq h GLN 99 CO 0.09 -0.68 0.31 0.93 -0.95 0.00 0.00 178.83 178.53 1wgq h GLU 100 N -1.06 0.55 0.93 1.46 5.08 0.14 -1.56 114.58 120.12 1wgq h GLU 100 Ca -0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1wgq h GLU 100 Cb 0.85 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1wgq h GLU 100 CO 0.11 0.36 -0.45 0.78 -1.00 0.00 0.00 179.01 178.81 1wgq h GLY 101 N 0.57 -1.30 0.32 -3.84 0.00 -0.69 -2.99 103.07 95.13 1wgq h GLY 101 Ca 0.18 0.48 0.13 0.00 0.00 0.00 0.00 47.33 48.13 1wgq h GLY 101 CO -0.04 -0.47 0.44 -0.91 0.00 0.00 0.00 176.54 175.56 1wgq h THR 102 N -1.31 0.79 -2.29 4.70 1.35 -0.61 -3.39 112.91 112.15 1wgq h THR 102 Ca -0.13 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1wgq h THR 102 Cb 0.96 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1wgq h THR 102 CO 0.21 0.12 0.00 1.33 -0.25 0.00 0.00 175.52 176.93 1wgq n VAL 103 N -4.83 0.00 -1.24 6.82 0.24 -0.61 -3.83 118.33 114.89 1wgq n VAL 103 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1wgq n VAL 103 Cb 0.38 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 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 -1.48 0.16 0.00 -1.34 2.88 -1.25 -4.87 113.62 107.72 1wgq n SER 104 Ca 0.00 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1wgq n SER 104 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.06 3.62 2.42 0.46 0.00 -1.26 -4.88 105.19 105.49 1wgq n GLY 105 Ca 0.00 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 1wgq n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgq n PRO 106 N -1.25 2.57 -3.57 1.61 -0.04 -1.26 -4.72 135.00 128.34 1wgq n PRO 106 Ca 0.00 -1.60 0.03 0.00 -0.04 0.00 0.00 63.50 61.89 1wgq n PRO 106 Cb 0.00 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1wgq n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgq s SER 107 N 2.77 -0.01 -0.19 3.54 0.15 -1.26 -5.15 113.70 113.55 1wgq s SER 107 Ca 0.52 -0.03 -0.06 0.00 0.70 0.00 0.00 55.95 57.08 1wgq s SER 107 Cb 0.15 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1wgq s SER 107 CO -0.04 -0.07 0.03 -0.44 1.20 0.00 0.00 173.24 173.92 1wgq s SER 108 N -2.93 5.27 0.00 5.45 0.01 -1.26 -4.91 113.70 115.32 1wgq s SER 108 Ca 0.15 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1wgq s SER 108 Cb 0.07 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1wgq s SER 108 CO -0.06 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.33