#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 -0.57 0.18 1.61 0.15 -1.26 -5.18 113.70 108.63 1wgq s SER 2 Ca 0.00 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.71 1wgq s SER 2 Cb 0.00 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1wgq s SER 2 CO 0.00 -0.90 0.18 -0.94 1.20 0.00 0.00 173.24 172.78 1wgq s SER 3 N -2.53 0.15 0.31 5.45 1.04 -1.26 -5.17 113.70 111.69 1wgq s SER 3 Ca -0.00 -1.19 -0.15 0.00 0.48 0.00 0.00 55.95 55.08 1wgq s SER 3 Cb -0.01 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1wgq s SER 3 CO -0.10 -0.86 0.65 -0.83 0.98 0.00 0.00 173.24 173.09 1wgq s GLY 4 N -3.08 0.39 0.18 7.32 0.00 -1.26 -5.15 107.32 105.72 1wgq s GLY 4 Ca 0.29 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 1wgq s GLY 4 CO 0.07 -0.39 0.79 -0.45 0.00 0.00 0.00 173.10 173.12 1wgq s SER 5 N -3.03 7.40 -0.29 1.64 0.15 -1.26 -5.04 113.70 113.27 1wgq s SER 5 Ca 0.17 1.67 -0.16 0.00 0.70 0.00 0.00 55.95 58.33 1wgq s SER 5 Cb -0.04 -2.51 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 1wgq s SER 5 CO 0.10 0.19 1.15 -0.44 1.20 0.00 0.00 173.24 175.44 1wgq s SER 6 N -1.18 -0.24 0.00 5.45 0.01 -1.26 -5.12 113.70 111.35 1wgq s SER 6 Ca 0.37 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1wgq s SER 6 Cb -0.23 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1wgq s SER 6 CO 0.27 -0.06 0.04 0.61 0.41 0.00 0.00 173.24 174.50 1wgq n GLY 7 N 3.32 -0.27 3.48 3.44 0.00 -1.26 -4.84 105.19 109.05 1wgq n GLY 7 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.09 -0.70 -0.32 1.61 7.64 -1.26 -4.84 113.62 115.66 1wgq n SER 8 Ca 0.00 0.83 -0.10 0.00 1.01 0.00 0.00 58.87 60.60 1wgq n SER 8 Cb 0.00 -1.18 -0.09 0.00 -1.01 0.00 0.00 64.21 61.93 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 0.58 0.00 -2.23 0.44 2.02 -1.88 -3.41 112.91 108.44 1wgq h THR 9 Ca -0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1wgq h THR 9 Cb 1.39 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.56 1wgq h THR 9 CO 0.50 0.00 -0.26 -0.32 0.37 0.00 0.00 175.52 175.80 1wgq s MET 10 N -5.28 0.44 0.04 6.66 0.00 -1.26 -5.03 119.30 114.88 1wgq s MET 10 Ca -0.11 1.21 -0.07 0.00 0.00 0.00 0.00 55.69 56.72 1wgq s MET 10 Cb 0.09 0.57 -0.00 0.00 0.00 0.00 0.00 34.83 35.48 1wgq s MET 10 CO 0.56 -0.25 0.14 -1.54 0.00 0.00 0.00 175.02 173.93 1wgq s SER 11 N 2.75 0.11 0.00 1.11 1.04 -1.26 -2.48 113.70 114.97 1wgq s SER 11 Ca -0.03 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wgq s SER 11 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wgq s SER 11 CO -0.16 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1wgq n GLY 12 N 0.73 4.15 3.62 7.32 0.00 -1.19 -5.04 105.19 114.78 1wgq n GLY 12 Ca -0.19 -0.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.97 1.69 -4.12 1.61 4.01 -1.26 -4.00 117.16 114.12 1wgq n TYR 13 Ca 0.00 0.56 -0.11 0.00 -0.16 0.00 0.00 57.90 58.19 1wgq n TYR 13 Cb 0.00 -2.36 -0.11 0.00 -0.31 0.00 0.00 39.34 36.56 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 0.43 2.41 -0.35 7.72 1.43 0.76 -4.84 118.68 126.24 1wgq s LEU 14 Ca 0.72 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1wgq s LEU 14 Cb -0.77 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1wgq s LEU 14 CO 0.50 -0.37 0.30 -0.31 0.23 0.00 0.00 176.35 176.70 1wgq s TYR 15 N -2.78 3.22 -0.01 0.29 2.02 -1.13 -1.56 117.35 117.40 1wgq s TYR 15 Ca 0.03 -0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.38 1wgq s TYR 15 Cb -0.00 -2.58 -0.06 0.00 -0.40 0.00 0.00 41.96 38.92 1wgq s TYR 15 CO -0.03 -0.42 0.45 0.50 -1.57 0.00 0.00 175.55 174.47 1wgq s ARG 16 N 1.84 4.05 0.08 -0.62 3.52 0.26 -2.18 118.95 125.90 1wgq s ARG 16 Ca 0.08 0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 56.10 1wgq s ARG 16 Cb -0.17 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1wgq s ARG 16 CO 0.11 0.59 0.11 0.45 -0.81 0.00 0.00 175.30 175.75 1wgq s SER 17 N -0.78 0.25 -0.42 -2.12 0.15 -0.34 -0.57 113.70 109.86 1wgq s SER 17 Ca 0.25 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 56.16 1wgq s SER 17 Cb -0.17 0.29 0.45 0.00 -1.71 0.00 0.00 66.02 64.88 1wgq s SER 17 CO 0.14 -0.69 1.42 0.29 1.20 0.00 0.00 173.24 175.60 1wgq n LYS 18 N -0.01 3.33 0.00 5.44 4.76 -1.26 -0.43 118.16 130.00 1wgq n LYS 18 Ca -0.14 -3.97 0.00 0.00 -2.87 0.00 0.00 58.31 51.33 1wgq n LYS 18 Cb 0.62 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 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 -0.73 0.90 0.13 0.72 0.00 -1.26 -4.85 105.19 100.10 1wgq n GLY 19 Ca 0.48 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.18 0.00 1.61 0.02 -2.00 -3.29 113.55 109.70 1wgq h SER 20 Ca 0.00 -0.26 -0.20 0.00 -0.84 0.00 0.00 61.79 60.49 1wgq h SER 20 Cb 0.00 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 1wgq h SER 20 CO 0.00 0.38 -0.31 0.29 -1.14 0.00 0.00 176.83 176.05 1wgq n LYS 21 N -4.90 2.02 -4.23 3.45 5.02 -1.26 -4.81 118.16 113.45 1wgq n LYS 21 Ca -0.06 -1.01 -0.16 0.00 -2.02 0.00 0.00 58.31 55.05 1wgq n LYS 21 Cb 0.21 -2.01 -0.11 0.00 -0.02 0.00 0.00 35.03 33.11 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 1.03 0.99 0.54 1.97 -0.14 -1.24 -5.06 119.74 117.83 1wgq s LYS 22 Ca 0.67 -1.26 -0.18 0.00 -1.36 0.00 0.00 55.97 53.84 1wgq s LYS 22 Cb 0.32 -0.76 -0.06 0.00 -1.68 0.00 0.00 37.83 35.64 1wgq s LYS 22 CO -0.00 0.13 1.04 -1.25 -0.76 0.00 0.00 175.35 174.51 1wgq s PRO 23 N -2.90 3.56 -0.11 -1.68 0.04 -1.26 -4.89 135.00 127.76 1wgq s PRO 23 Ca 0.10 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1wgq s PRO 23 Cb -0.03 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1wgq s PRO 23 CO 0.02 -0.61 0.41 -1.58 0.04 0.00 0.00 177.00 175.27 1wgq s TRP 24 N -2.27 3.53 -0.29 0.56 0.52 -1.26 -4.38 118.94 115.35 1wgq s TRP 24 Ca 0.65 0.81 -0.05 0.00 0.02 0.00 0.00 56.10 57.53 1wgq s TRP 24 Cb -0.16 -2.45 0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1wgq s TRP 24 CO 0.30 0.26 0.04 0.15 0.02 0.00 0.00 176.95 177.72 1wgq s LYS 25 N 0.31 2.91 -0.55 4.98 1.02 0.26 -4.87 119.74 123.80 1wgq s LYS 25 Ca 0.23 -0.96 -0.28 0.00 0.02 0.00 0.00 55.97 54.97 1wgq s LYS 25 Cb -0.15 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1wgq s LYS 25 CO 0.09 -0.47 1.21 -1.58 -0.92 0.00 0.00 175.35 173.68 1wgq s HIS 26 N 1.42 2.61 0.22 3.18 5.65 -1.26 -0.57 115.29 126.53 1wgq s HIS 26 Ca 0.01 0.49 -0.00 0.00 0.25 0.00 0.00 55.06 55.81 1wgq s HIS 26 Cb -0.17 -4.49 -0.04 0.00 -1.18 0.00 0.00 32.58 26.70 1wgq s HIS 26 CO 0.00 -1.58 0.11 -0.51 -0.65 0.00 0.00 174.74 172.11 1wgq s LEU 27 N 4.98 1.40 -0.05 8.88 1.43 -0.60 -4.97 118.68 129.75 1wgq s LEU 27 Ca 0.46 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1wgq s LEU 27 Cb -0.08 0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 1wgq s LEU 27 CO 0.27 -0.78 0.06 0.86 0.23 0.00 0.00 176.35 176.98 1wgq s TRP 28 N -3.99 3.27 0.05 0.29 -0.11 -0.13 -0.17 118.94 118.15 1wgq s TRP 28 Ca 0.37 0.24 0.01 0.00 1.22 0.00 0.00 56.10 57.94 1wgq s TRP 28 Cb 0.07 -1.78 -0.03 0.00 -1.50 0.00 0.00 33.47 30.24 1wgq s TRP 28 CO 0.12 0.54 -0.05 -0.06 -4.62 0.00 0.00 176.95 172.87 1wgq s PHE 29 N -1.06 0.56 0.18 5.86 0.08 -1.26 0.18 117.98 122.53 1wgq s PHE 29 Ca 0.18 -0.68 -0.04 0.00 0.12 0.00 0.00 56.93 56.52 1wgq s PHE 29 Cb -0.12 -0.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.94 1wgq s PHE 29 CO 0.08 -0.18 0.17 0.08 -0.10 0.00 0.00 175.22 175.28 1wgq s VAL 30 N -2.23 0.04 -0.44 -0.44 1.01 -0.44 -3.19 120.40 114.71 1wgq s VAL 30 Ca -0.05 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.14 1wgq s VAL 30 Cb -0.04 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.24 1wgq s VAL 30 CO -0.03 -0.18 0.25 -0.63 0.00 0.00 0.00 175.10 174.51 1wgq s ILE 31 N -4.08 1.35 -0.14 2.22 1.01 -1.03 -0.99 121.20 119.54 1wgq s ILE 31 Ca 0.29 -2.57 -0.01 0.00 0.00 0.00 0.00 60.65 58.37 1wgq s ILE 31 Cb 0.06 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1wgq s ILE 31 CO 0.07 -0.91 -0.11 -0.75 0.00 0.00 0.00 174.94 173.24 1wgq s LYS 32 N 0.33 3.44 -1.73 2.79 2.20 -0.17 -4.46 119.74 122.14 1wgq s LYS 32 Ca 0.18 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1wgq s LYS 32 Cb -0.23 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1wgq s LYS 32 CO -0.01 0.19 0.00 -1.71 -0.36 0.00 0.00 175.35 173.46 1wgq n ASN 33 N 3.62 -5.20 0.00 1.43 5.15 -1.26 -0.00 115.26 118.99 1wgq n ASN 33 Ca -0.18 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1wgq n ASN 33 Cb 0.53 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.50 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wgq n LYS 34 N -2.60 -0.26 -3.67 1.20 4.01 -1.26 -4.99 118.16 110.59 1wgq n LYS 34 Ca -0.20 0.07 -0.36 0.00 -0.51 0.00 0.00 58.31 57.31 1wgq n LYS 34 Cb 0.62 -3.23 -0.07 0.00 -0.51 0.00 0.00 35.03 31.84 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wgq s VAL 35 N -2.37 5.37 -0.85 -0.18 1.01 1.00 -2.65 120.40 121.73 1wgq s VAL 35 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 1wgq s VAL 35 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.93 1wgq s VAL 35 CO 0.00 0.45 1.19 -0.22 0.00 0.00 0.00 175.10 176.52 1wgq s LEU 36 N 0.16 4.17 0.26 3.92 1.98 0.14 -0.99 118.68 128.31 1wgq s LEU 36 Ca 0.13 -1.34 -0.26 0.00 -2.89 0.00 0.00 54.13 49.76 1wgq s LEU 36 Cb -0.12 -2.47 -0.09 0.00 0.66 0.00 0.00 46.19 44.16 1wgq s LEU 36 CO 0.02 -1.41 0.89 -0.31 -1.89 0.00 0.00 176.35 173.65 1wgq s TYR 37 N 4.15 3.80 0.09 5.38 2.02 -0.16 -2.69 117.35 129.94 1wgq s TYR 37 Ca 0.33 1.75 -0.03 0.00 -0.37 0.00 0.00 57.07 58.75 1wgq s TYR 37 Cb -0.07 -2.88 -0.05 0.00 -0.40 0.00 0.00 41.96 38.56 1wgq s TYR 37 CO -0.00 0.34 0.30 0.99 -1.57 0.00 0.00 175.55 175.61 1wgq s THR 38 N -1.41 5.27 0.34 -0.71 2.01 0.97 -1.33 115.64 120.77 1wgq s THR 38 Ca 0.45 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 1wgq s THR 38 Cb -0.21 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1wgq s THR 38 CO 0.26 0.13 0.55 -0.31 -0.69 0.00 0.00 174.62 174.55 1wgq s TYR 39 N -1.55 0.75 0.00 4.92 2.02 0.49 -0.40 117.35 123.58 1wgq s TYR 39 Ca 0.37 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1wgq s TYR 39 Cb -0.13 0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 1wgq s TYR 39 CO 0.25 -1.21 0.00 0.00 -1.57 0.00 0.00 175.55 173.01 1wgq n ALA 40 N -0.53 2.45 -2.62 3.71 0.00 -1.26 -0.96 120.51 121.31 1wgq n ALA 40 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 1wgq n ALA 40 Cb 0.61 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 20.35 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 3.08 0.20 0.00 0.00 -1.26 -4.12 121.76 117.80 1wgq s ALA 41 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 1wgq s ALA 41 Cb 0.00 -0.94 0.18 0.00 0.00 0.00 0.00 23.12 22.37 1wgq s ALA 41 CO 0.00 0.56 1.59 0.66 0.00 0.00 0.00 175.76 178.57 1wgq h SER 42 N 3.15 -1.04 -1.92 0.00 4.64 -1.99 -1.58 113.55 114.82 1wgq h SER 42 Ca -0.48 0.23 -0.65 0.00 -0.47 0.00 0.00 61.79 60.43 1wgq h SER 42 Cb 1.19 0.55 -0.38 0.00 -0.31 0.00 0.00 62.40 63.45 1wgq h SER 42 CO 0.55 -0.28 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.43 1wgq n GLU 43 N -5.45 3.51 -1.69 4.77 1.02 -1.26 -5.06 120.64 116.49 1wgq n GLU 43 Ca 0.06 -4.47 -0.39 0.00 -0.02 0.00 0.00 57.16 52.34 1wgq n GLU 43 Cb 0.36 -2.28 0.04 0.00 -0.02 0.00 0.00 31.44 29.54 1wgq n GLU 43 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wgq n ASP 44 N -0.37 1.98 -0.17 1.62 2.03 -0.60 -4.84 116.55 116.20 1wgq n ASP 44 Ca 0.40 0.96 0.18 0.00 0.52 0.00 0.00 54.79 56.86 1wgq n ASP 44 Cb 0.46 -1.49 0.55 0.00 -0.72 0.00 0.00 41.12 39.92 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wgq h VAL 45 N 1.31 0.73 -2.90 5.18 -1.51 -1.97 -3.44 116.25 113.64 1wgq h VAL 45 Ca -0.49 -0.11 0.04 0.00 -1.23 0.00 0.00 66.70 64.90 1wgq h VAL 45 Cb 1.32 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.83 1wgq h VAL 45 CO 0.56 0.06 0.32 0.00 -1.23 0.00 0.00 177.57 177.28 1wgq s ALA 46 N -5.33 -1.01 0.13 5.19 0.00 -1.26 -5.15 121.76 114.31 1wgq s ALA 46 Ca -0.07 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 1wgq s ALA 46 Cb 0.21 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.98 1wgq s ALA 46 CO 0.77 -1.01 0.70 0.00 0.00 0.00 0.00 175.76 176.21 1wgq s ALA 47 N -2.71 3.50 0.11 0.00 0.00 -1.26 -4.78 121.76 116.62 1wgq s ALA 47 Ca 0.15 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1wgq s ALA 47 Cb -0.05 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1wgq s ALA 47 CO 0.09 0.32 1.44 -0.07 0.00 0.00 0.00 175.76 177.54 1wgq h LEU 48 N 4.46 0.82 -8.32 0.00 3.38 -1.06 -3.47 115.31 111.11 1wgq h LEU 48 Ca -0.48 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 56.91 1wgq h LEU 48 Cb 1.21 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 1wgq h LEU 48 CO 0.65 1.11 -0.30 -1.61 0.09 0.00 0.00 178.44 178.38 1wgq s GLU 49 N -4.39 1.38 -0.02 1.13 0.41 -1.24 -4.98 118.70 110.98 1wgq s GLU 49 Ca -0.12 -1.36 -0.01 0.00 -0.41 0.00 0.00 54.97 53.07 1wgq s GLU 49 Cb 0.09 0.39 0.02 0.00 -1.78 0.00 0.00 34.13 32.86 1wgq s GLU 49 CO 0.84 -0.53 0.05 -1.54 -0.49 0.00 0.00 175.26 173.59 1wgq s SER 50 N -3.05 -0.02 -0.20 -0.19 1.04 -1.26 -0.02 113.70 109.99 1wgq s SER 50 Ca 0.27 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 1wgq s SER 50 Cb 0.02 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.28 1wgq s SER 50 CO 0.09 -0.07 0.45 -1.58 0.98 0.00 0.00 173.24 173.10 1wgq s GLN 51 N 0.52 0.38 0.38 4.02 2.00 -1.09 -5.01 119.66 120.85 1wgq s GLN 51 Ca -0.04 1.01 -0.25 0.00 -2.00 0.00 0.00 55.36 54.08 1wgq s GLN 51 Cb -0.06 0.26 -0.09 0.00 0.80 0.00 0.00 33.01 33.92 1wgq s GLN 51 CO -0.02 -0.22 1.06 -1.25 -0.50 0.00 0.00 175.29 174.37 1wgq s PRO 52 N 2.25 4.25 -0.39 1.67 0.04 -1.26 0.27 135.00 141.83 1wgq s PRO 52 Ca -0.05 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1wgq s PRO 52 Cb -0.11 -2.67 0.24 0.00 0.04 0.00 0.00 34.50 32.00 1wgq s PRO 52 CO -0.14 -0.08 2.08 1.28 0.04 0.00 0.00 177.00 180.19 1wgq n LEU 53 N 0.18 6.68 -4.65 -3.56 4.77 -1.08 -4.82 117.00 114.52 1wgq n LEU 53 Ca 0.04 -3.53 -0.38 0.00 -0.03 0.00 0.00 56.01 52.11 1wgq n LEU 53 Cb 0.49 -1.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 1wgq n LEU 53 CO 0.47 1.31 -0.01 -0.22 -1.33 0.00 0.00 177.39 177.61 1wgq s LEU 54 N -2.19 4.12 0.00 2.23 0.20 -1.26 -2.91 118.68 118.87 1wgq s LEU 54 Ca 0.39 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.53 1wgq s LEU 54 Cb 0.30 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 1wgq s LEU 54 CO -0.02 -0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.60 1wgq n GLY 55 N 4.22 2.46 3.90 7.98 0.00 -1.26 -5.01 105.19 117.47 1wgq n GLY 55 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 -4.00 -3.98 1.61 3.72 -1.25 -3.61 117.46 107.95 1wgq n PHE 56 Ca 0.00 -1.18 -0.09 0.00 -0.05 0.00 0.00 57.45 56.13 1wgq n PHE 56 Cb 0.00 -1.05 -0.05 0.00 -0.94 0.00 0.00 39.48 37.44 1wgq n PHE 56 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1wgq s THR 57 N -3.90 0.00 0.01 4.37 2.01 0.49 -4.83 115.64 113.79 1wgq s THR 57 Ca 0.76 -1.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1wgq s THR 57 Cb -0.02 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1wgq s THR 57 CO 0.54 0.00 0.15 -0.69 -0.69 0.00 0.00 174.62 173.93 1wgq s VAL 58 N -3.93 0.09 -0.09 3.82 1.01 -1.26 0.35 120.40 120.40 1wgq s VAL 58 Ca 0.21 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1wgq s VAL 58 Cb -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1wgq s VAL 58 CO 0.09 -0.43 0.73 0.28 0.00 0.00 0.00 175.10 175.77 1wgq s THR 59 N -1.78 0.00 0.35 3.92 -1.32 -1.11 -4.92 115.64 110.78 1wgq s THR 59 Ca -0.12 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.10 1wgq s THR 59 Cb -0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1wgq s THR 59 CO -0.00 0.00 1.11 -0.22 -2.21 0.00 0.00 174.62 173.29 1wgq s LEU 60 N -0.98 4.32 -0.04 9.08 1.98 -1.26 -1.91 118.68 129.86 1wgq s LEU 60 Ca -0.08 2.22 0.05 0.00 -2.89 0.00 0.00 54.13 53.43 1wgq s LEU 60 Cb -0.01 -3.92 -0.01 0.00 0.66 0.00 0.00 46.19 42.92 1wgq s LEU 60 CO 0.08 -0.41 -0.20 0.54 -1.89 0.00 0.00 176.35 174.46 1wgq s VAL 61 N -1.39 1.65 -0.61 1.68 0.11 -1.15 -4.90 120.40 115.79 1wgq s VAL 61 Ca 0.52 -0.85 -0.23 0.00 -2.93 0.00 0.00 61.98 58.49 1wgq s VAL 61 Cb -0.28 -1.41 0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1wgq s VAL 61 CO 0.36 0.47 0.96 -0.54 -3.33 0.00 0.00 175.10 173.02 1wgq s LYS 62 N -0.12 3.22 0.48 1.54 3.01 -1.26 -4.60 119.74 122.01 1wgq s LYS 62 Ca -0.02 -0.54 0.03 0.00 -1.01 0.00 0.00 55.97 54.44 1wgq s LYS 62 Cb -0.12 -4.14 0.02 0.00 -1.01 0.00 0.00 37.83 32.58 1wgq s LYS 62 CO 0.02 -1.67 0.68 0.34 0.51 0.00 0.00 175.35 175.24 1wgq s ASP 63 N 3.27 5.51 -0.15 2.83 2.15 -1.09 -5.04 116.67 124.15 1wgq s ASP 63 Ca 0.26 -0.09 -0.27 0.00 0.43 0.00 0.00 52.55 52.88 1wgq s ASP 63 Cb -0.14 -0.94 -0.25 0.00 -0.30 0.00 0.00 42.92 41.29 1wgq s ASP 63 CO 0.15 -0.92 0.66 -0.08 -0.17 0.00 0.00 175.17 174.81 1wgq h GLU 64 N 0.34 0.01 0.29 4.34 4.81 -1.95 -3.38 114.58 119.04 1wgq h GLU 64 Ca -0.42 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1wgq h GLU 64 Cb 1.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1wgq h GLU 64 CO 0.51 1.01 -0.14 -0.97 -0.73 0.00 0.00 179.01 178.69 1wgq h ASN 65 N -0.97 -0.33 -1.71 1.04 -0.73 -2.02 -3.45 115.58 107.42 1wgq h ASN 65 Ca -0.08 -0.18 -0.53 0.00 1.87 0.00 0.00 56.30 57.39 1wgq h ASN 65 Cb 1.09 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.71 1wgq h ASN 65 CO -0.03 0.03 -0.47 -0.44 -0.37 0.00 0.00 177.43 176.14 1wgq s SER 66 N -5.10 4.82 0.00 1.15 0.01 -1.26 -5.12 113.70 108.21 1wgq s SER 66 Ca -0.14 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1wgq s SER 66 Cb 0.02 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1wgq s SER 66 CO 0.56 -0.46 0.00 -0.62 0.41 0.00 0.00 173.24 173.13 1wgq n GLU 67 N -1.32 0.00 -1.29 12.44 -0.58 -1.26 -2.66 120.64 125.97 1wgq n GLU 67 Ca -0.01 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.45 1wgq n GLU 67 Cb 0.62 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 31.61 1wgq n GLU 67 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wgq n SER 68 N 0.00 5.68 -0.63 1.62 7.64 -1.26 -3.85 113.62 122.81 1wgq n SER 68 Ca 0.00 -3.71 0.08 0.00 1.01 0.00 0.00 58.87 56.25 1wgq n SER 68 Cb 0.00 -0.88 0.06 0.00 -1.01 0.00 0.00 64.21 62.39 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 69 N -1.02 1.26 -4.24 1.43 5.02 -1.26 -4.67 118.16 114.68 1wgq n LYS 69 Ca 0.59 -1.42 -0.18 0.00 -2.02 0.00 0.00 58.31 55.28 1wgq n LYS 69 Cb 1.11 -1.31 -0.13 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.36 0.86 0.36 -0.18 0.11 -1.26 0.54 120.40 119.46 1wgq s VAL 70 Ca 0.18 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1wgq s VAL 70 Cb 0.13 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1wgq s VAL 70 CO 0.21 -0.09 0.19 0.72 -3.33 0.00 0.00 175.10 172.80 1wgq s PHE 71 N -0.89 1.73 0.01 1.54 -0.71 0.25 -2.95 117.98 116.96 1wgq s PHE 71 Ca -0.01 -1.45 0.04 0.00 -1.04 0.00 0.00 56.93 54.47 1wgq s PHE 71 Cb -0.08 -0.93 -0.01 0.00 -1.21 0.00 0.00 43.02 40.79 1wgq s PHE 71 CO 0.01 -0.56 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.56 1wgq s GLN 72 N -3.64 0.87 -0.71 1.99 -0.21 -0.80 -0.01 119.66 117.15 1wgq s GLN 72 Ca 0.32 -0.53 -0.18 0.00 0.02 0.00 0.00 55.36 54.99 1wgq s GLN 72 Cb 0.03 -0.84 0.13 0.00 1.00 0.00 0.00 33.01 33.32 1wgq s GLN 72 CO 0.20 0.22 0.83 -1.17 -2.12 0.00 0.00 175.29 173.25 1wgq s LEU 73 N -0.63 5.47 0.38 2.90 2.96 0.02 -2.75 118.68 127.03 1wgq s LEU 73 Ca 0.02 -1.74 -0.23 0.00 -0.22 0.00 0.00 54.13 51.96 1wgq s LEU 73 Cb -0.06 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.21 1wgq s LEU 73 CO 0.00 -1.04 0.95 -0.76 -1.32 0.00 0.00 176.35 174.18 1wgq s LEU 74 N 2.38 4.11 -0.33 -0.68 1.43 0.16 0.95 118.68 126.70 1wgq s LEU 74 Ca 0.18 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1wgq s LEU 74 Cb -0.17 -4.31 0.11 0.00 0.03 0.00 0.00 46.19 41.85 1wgq s LEU 74 CO 0.01 -0.24 0.15 -2.28 0.23 0.00 0.00 176.35 174.22 1wgq s HIS 75 N -1.93 0.93 0.00 0.29 2.46 0.51 0.19 115.29 117.73 1wgq s HIS 75 Ca 0.57 -1.43 0.00 0.00 0.47 0.00 0.00 55.06 54.67 1wgq s HIS 75 Cb -0.13 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 1wgq s HIS 75 CO 0.18 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.24 1wgq n LYS 76 N 4.67 0.00 0.00 2.88 5.02 -1.24 -3.00 118.16 126.50 1wgq n LYS 76 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wgq n LYS 76 Cb 0.40 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 -2.28 1.17 3.84 0.72 0.00 -1.26 -5.10 105.19 102.27 1wgq n GLY 77 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.05 0.01 1.61 -1.94 -1.16 -4.97 119.30 116.90 1wgq s MET 78 Ca 0.00 0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 54.29 1wgq s MET 78 Cb 0.00 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 1wgq s MET 78 CO 0.00 0.39 1.16 0.08 -0.01 0.00 0.00 175.02 176.63 1wgq s VAL 79 N -1.60 4.26 -0.20 -6.03 1.01 -1.26 0.19 120.40 116.77 1wgq s VAL 79 Ca 0.43 1.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.99 1wgq s VAL 79 Cb -0.14 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.00 1wgq s VAL 79 CO 0.20 0.09 0.02 0.33 0.00 0.00 0.00 175.10 175.73 1wgq n PHE 80 N 4.30 0.55 -3.74 5.22 7.35 0.27 -4.87 117.46 126.54 1wgq n PHE 80 Ca 0.09 0.12 -0.07 0.00 -0.76 0.00 0.00 57.45 56.83 1wgq n PHE 80 Cb 0.47 -1.07 -0.02 0.00 0.35 0.00 0.00 39.48 39.21 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 -2.53 -0.24 -0.22 -5.13 2.02 -1.21 -4.91 117.35 105.13 1wgq s TYR 81 Ca -0.30 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1wgq s TYR 81 Cb 0.08 0.66 0.03 0.00 -0.40 0.00 0.00 41.96 42.33 1wgq s TYR 81 CO 0.66 -1.04 -0.13 0.08 -1.57 0.00 0.00 175.55 173.56 1wgq s VAL 82 N -3.70 2.44 -0.21 0.71 1.01 0.43 -0.80 120.40 120.28 1wgq s VAL 82 Ca 0.09 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1wgq s VAL 82 Cb -0.04 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1wgq s VAL 82 CO 0.02 0.32 0.01 -0.36 0.00 0.00 0.00 175.10 175.09 1wgq s PHE 83 N 1.28 3.05 -0.11 5.22 0.08 0.99 -1.20 117.98 127.28 1wgq s PHE 83 Ca 0.01 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 1wgq s PHE 83 Cb -0.16 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 1wgq s PHE 83 CO -0.08 -0.27 -0.07 0.21 -0.10 0.00 0.00 175.22 174.91 1wgq s LYS 84 N 1.12 3.24 0.06 0.44 2.20 -0.93 0.85 119.74 126.72 1wgq s LYS 84 Ca 0.03 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 1wgq s LYS 84 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1wgq s LYS 84 CO 0.02 0.40 -0.00 0.00 -0.36 0.00 0.00 175.35 175.40 1wgq s ALA 85 N -0.10 3.27 0.03 3.13 0.00 0.19 -2.83 121.76 125.45 1wgq s ALA 85 Ca 0.01 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1wgq s ALA 85 Cb -0.13 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 1wgq s ALA 85 CO 0.03 0.68 1.23 0.22 0.00 0.00 0.00 175.76 177.92 1wgq h ASP 86 N 3.77 -0.48 -3.25 0.00 3.58 -1.88 -3.43 116.42 114.72 1wgq h ASP 86 Ca -0.48 0.02 -0.46 0.00 0.42 0.00 0.00 57.03 56.53 1wgq h ASP 86 Cb 1.17 0.13 0.06 0.00 1.72 0.00 0.00 39.33 42.40 1wgq h ASP 86 CO 0.59 -0.34 0.10 -1.81 -2.88 0.00 0.00 179.24 174.90 1wgq s ASP 87 N -2.84 5.24 -0.08 2.28 1.01 -1.26 -5.02 116.67 116.00 1wgq s ASP 87 Ca -0.08 0.36 -0.17 0.00 0.71 0.00 0.00 52.55 53.36 1wgq s ASP 87 Cb 0.01 -1.22 -0.14 0.00 1.01 0.00 0.00 42.92 42.58 1wgq s ASP 87 CO 0.25 -1.24 0.61 0.00 0.21 0.00 0.00 175.17 175.00 1wgq h ALA 88 N -0.19 -0.13 -0.98 5.23 0.00 -1.88 -3.20 119.26 118.09 1wgq h ALA 88 Ca -0.44 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.39 1wgq h ALA 88 Cb 1.29 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 1wgq h ALA 88 CO 0.58 -0.17 -0.41 0.45 0.00 0.00 0.00 179.25 179.69 1wgq h HIS 89 N -0.95 -1.19 -0.55 0.00 3.86 -1.96 0.57 115.15 114.94 1wgq h HIS 89 Ca -0.01 0.11 0.10 0.00 -1.16 0.00 0.00 60.37 59.41 1wgq h HIS 89 Cb 0.49 0.66 -0.11 0.00 1.06 0.00 0.00 27.41 29.52 1wgq h HIS 89 CO 0.10 -0.40 -0.29 0.66 0.86 0.00 0.00 177.93 178.86 1wgq h SER 90 N -0.01 -1.00 -0.58 2.45 4.64 -1.98 0.65 113.55 117.72 1wgq h SER 90 Ca 0.32 0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.91 1wgq h SER 90 Cb 0.57 0.51 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 1wgq h SER 90 CO -0.97 -0.29 -0.57 0.74 -0.87 0.00 0.00 176.83 174.87 1wgq h THR 91 N -0.15 0.00 -0.62 2.95 2.02 0.15 0.58 112.91 117.84 1wgq h THR 91 Ca 0.24 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.52 1wgq h THR 91 Cb 0.53 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 1wgq h THR 91 CO -0.64 0.00 0.22 1.56 0.37 0.00 0.00 175.52 177.03 1wgq h GLN 92 N -0.28 0.38 -0.23 6.66 1.08 -0.69 0.88 115.11 122.91 1wgq h GLN 92 Ca 0.10 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 1wgq h GLN 92 Cb 0.54 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1wgq h GLN 92 CO -0.70 0.25 -0.06 0.00 -0.95 0.00 0.00 178.83 177.38 1wgq h ARG 93 N 0.39 0.00 -0.07 1.46 3.08 0.15 1.13 114.38 120.52 1wgq h ARG 93 Ca 0.32 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1wgq h ARG 93 Cb 0.41 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1wgq h ARG 93 CO -0.33 0.00 0.02 -1.49 -1.07 0.00 0.00 179.97 177.10 1wgq h TRP 94 N 0.00 0.11 0.12 3.04 4.06 0.11 0.59 115.95 123.98 1wgq h TRP 94 Ca 0.11 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 1wgq h TRP 94 Cb 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1wgq h TRP 94 CO -0.23 0.28 -0.19 0.82 -3.56 0.00 0.00 178.44 175.55 1wgq h ILE 95 N -0.09 0.00 -0.95 1.49 2.04 0.13 1.44 117.51 121.56 1wgq h ILE 95 Ca 0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.06 1wgq h ILE 95 Cb 0.22 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.22 1wgq h ILE 95 CO -0.00 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 177.97 1wgq h ASP 96 N -0.33 0.65 -0.48 1.72 1.82 0.13 1.16 116.42 121.09 1wgq h ASP 96 Ca -0.01 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1wgq h ASP 96 Cb 0.30 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1wgq h ASP 96 CO -0.06 0.27 0.08 0.00 -1.61 0.00 0.00 179.24 177.92 1wgq h ALA 97 N 1.61 1.13 0.00 -0.78 0.00 0.12 0.57 119.26 121.91 1wgq h ALA 97 Ca 0.51 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1wgq h ALA 97 Cb 0.93 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wgq h ALA 97 CO -0.27 0.57 -0.37 0.74 0.00 0.00 0.00 179.25 179.92 1wgq h PHE 98 N 0.81 0.00 0.21 0.00 0.04 0.72 -2.57 116.94 116.15 1wgq h PHE 98 Ca 0.17 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.60 1wgq h PHE 98 Cb 0.37 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.54 1wgq h PHE 98 CO 0.02 0.24 -1.57 1.96 -0.60 0.00 0.00 178.31 178.36 1wgq h GLN 99 N 0.00 0.44 0.00 1.51 1.08 0.17 -3.26 115.11 115.05 1wgq h GLN 99 Ca -0.01 -0.75 0.00 0.00 -1.45 0.00 0.00 58.65 56.44 1wgq h GLN 99 Cb 1.19 0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1wgq h GLN 99 CO 0.03 1.35 0.00 -0.85 -0.95 0.00 0.00 178.83 178.41 1wgq n GLU 100 N -3.63 0.16 0.22 1.46 0.28 0.19 -3.62 120.64 115.71 1wgq n GLU 100 Ca -0.19 0.17 -0.10 0.00 -0.16 0.00 0.00 57.16 56.88 1wgq n GLU 100 Cb 1.08 -1.70 -0.05 0.00 1.43 0.00 0.00 31.44 32.21 1wgq n GLU 100 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1wgq h GLY 101 N 4.35 -0.66 0.12 -1.84 0.00 -1.50 -3.23 103.07 100.32 1wgq h GLY 101 Ca 0.00 0.24 0.22 0.00 0.00 0.00 0.00 47.33 47.79 1wgq h GLY 101 CO 0.00 -0.24 0.63 -0.91 0.00 0.00 0.00 176.54 176.02 1wgq h THR 102 N -1.10 0.64 -1.97 4.70 1.35 -1.60 -3.41 112.91 111.52 1wgq h THR 102 Ca -0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1wgq h THR 102 Cb 0.48 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1wgq h THR 102 CO 0.11 0.09 0.00 1.33 -0.25 0.00 0.00 175.52 176.80 1wgq n VAL 103 N -4.62 0.00 -3.11 6.82 0.24 -1.22 -4.71 118.33 111.73 1wgq n VAL 103 Ca 0.22 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.56 1wgq n VAL 103 Cb 0.72 -1.65 -0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wgq s SER 104 N -1.00 -1.14 0.87 -1.34 0.01 -1.26 -4.95 113.70 104.89 1wgq s SER 104 Ca 0.00 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 1wgq s SER 104 Cb 0.00 1.60 -0.14 0.00 0.21 0.00 0.00 66.02 67.69 1wgq s SER 104 CO 0.00 -0.18 -0.54 0.61 0.41 0.00 0.00 173.24 173.55 1wgq n GLY 105 N 4.83 -4.09 2.81 3.44 0.00 -1.26 -4.67 105.19 106.26 1wgq n GLY 105 Ca 0.08 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 1.95 2.29 -1.93 1.61 -0.04 -1.26 -4.93 135.00 132.70 1wgq n PRO 106 Ca 0.01 -2.09 -0.41 0.00 -0.04 0.00 0.00 63.50 60.97 1wgq n PRO 106 Cb 0.53 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.01 1wgq n PRO 106 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgq s SER 107 N 3.84 6.54 0.23 3.54 1.04 -1.26 -4.88 113.70 122.74 1wgq s SER 107 Ca 0.52 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.76 1wgq s SER 107 Cb 0.14 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1wgq s SER 107 CO 0.00 -0.77 0.00 -0.24 0.98 0.00 0.00 173.24 173.22 1wgq n SER 108 N 1.81 0.16 0.00 7.02 2.88 -1.26 -5.27 113.62 118.96 1wgq n SER 108 Ca 0.05 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wgq n SER 108 Cb 0.39 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42