#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 5.45 0.03 1.61 0.15 -1.26 -5.09 113.70 114.60 1wgq s SER 2 Ca 0.00 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 1wgq s SER 2 Cb 0.00 -0.88 -0.06 0.00 -1.71 0.00 0.00 66.02 63.37 1wgq s SER 2 CO 0.00 -0.97 0.49 -0.55 1.20 0.00 0.00 173.24 173.41 1wgq s SER 3 N -4.38 6.93 0.00 5.45 0.15 -1.26 -4.91 113.70 115.68 1wgq s SER 3 Ca 0.55 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1wgq s SER 3 Cb -0.10 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1wgq s SER 3 CO 0.37 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1wgq n GLY 4 N 1.86 -0.86 2.95 9.45 0.00 -1.26 -4.94 105.19 112.39 1wgq n GLY 4 Ca -0.12 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.10 1wgq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgq s SER 5 N -4.00 -0.47 -0.04 1.61 0.15 -1.26 -5.16 113.70 104.53 1wgq s SER 5 Ca 0.00 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 1wgq s SER 5 Cb 0.00 0.87 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1wgq s SER 5 CO 0.00 -0.07 0.13 -0.94 1.20 0.00 0.00 173.24 173.56 1wgq s SER 6 N 2.36 -0.09 0.25 5.45 1.04 -1.26 -5.10 113.70 116.34 1wgq s SER 6 Ca 0.20 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wgq s SER 6 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1wgq s SER 6 CO -0.18 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1wgq n GLY 7 N 2.62 -0.20 3.72 7.32 0.00 -1.26 -4.89 105.19 112.49 1wgq n GLY 7 Ca -0.15 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 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 4.45 0.05 1.61 0.01 -1.26 -5.06 113.70 109.50 1wgq s SER 8 Ca 0.00 -0.98 -0.19 0.00 1.31 0.00 0.00 55.95 56.09 1wgq s SER 8 Cb 0.00 -0.55 -0.09 0.00 0.21 0.00 0.00 66.02 65.59 1wgq s SER 8 CO 0.00 -0.43 1.30 0.74 0.41 0.00 0.00 173.24 175.26 1wgq h THR 9 N 1.52 0.00 -2.82 1.44 2.02 -1.89 -3.46 112.91 109.72 1wgq h THR 9 Ca -0.43 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1wgq h THR 9 Cb 1.25 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.50 1wgq h THR 9 CO 0.68 0.00 -0.01 -0.32 0.37 0.00 0.00 175.52 176.24 1wgq s MET 10 N -4.52 0.99 -0.11 6.66 0.00 -1.26 -5.05 119.30 116.01 1wgq s MET 10 Ca -0.09 -0.25 -0.33 0.00 0.00 0.00 0.00 55.69 55.01 1wgq s MET 10 Cb 0.02 0.45 0.14 0.00 0.00 0.00 0.00 34.83 35.45 1wgq s MET 10 CO 0.32 -0.35 1.40 -1.54 0.00 0.00 0.00 175.02 174.85 1wgq s SER 11 N -1.93 -0.02 0.00 1.11 1.04 -1.26 -2.99 113.70 109.65 1wgq s SER 11 Ca -0.06 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wgq s SER 11 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1wgq s SER 11 CO -0.01 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wgq n GLY 12 N -0.42 4.39 3.74 7.32 0.00 -1.24 -5.06 105.19 113.92 1wgq n GLY 12 Ca -0.07 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.84 2.82 0.38 1.61 2.02 -1.26 -4.06 117.35 117.01 1wgq s TYR 13 Ca 0.00 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.33 1wgq s TYR 13 Cb 0.00 -4.10 -0.03 0.00 -0.40 0.00 0.00 41.96 37.43 1wgq s TYR 13 CO 0.00 -3.91 0.15 -0.51 -1.57 0.00 0.00 175.55 169.70 1wgq s LEU 14 N 0.23 1.93 -0.27 -1.29 1.43 -0.58 -4.79 118.68 115.35 1wgq s LEU 14 Ca 0.68 -1.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1wgq s LEU 14 Cb -0.49 -0.01 0.07 0.00 0.03 0.00 0.00 46.19 45.80 1wgq s LEU 14 CO 0.41 -0.92 -0.03 -0.31 0.23 0.00 0.00 176.35 175.72 1wgq s TYR 15 N -3.29 2.78 -0.49 0.29 2.02 -1.13 -2.04 117.35 115.50 1wgq s TYR 15 Ca 0.28 -2.12 -0.21 0.00 -0.37 0.00 0.00 57.07 54.65 1wgq s TYR 15 Cb 0.03 -1.92 0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1wgq s TYR 15 CO 0.16 -0.84 0.71 0.50 -1.57 0.00 0.00 175.55 174.52 1wgq s ARG 16 N 1.26 3.24 0.54 -0.62 3.52 -0.81 -2.49 118.95 123.59 1wgq s ARG 16 Ca -0.02 -0.51 0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1wgq s ARG 16 Cb -0.19 -4.02 0.04 0.00 -1.56 0.00 0.00 34.95 29.22 1wgq s ARG 16 CO -0.08 -1.20 0.47 -1.12 -0.81 0.00 0.00 175.30 172.56 1wgq s SER 17 N 2.44 4.74 0.00 -2.12 0.01 0.62 -2.56 113.70 116.83 1wgq s SER 17 Ca 0.22 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1wgq s SER 17 Cb -0.15 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.45 1wgq s SER 17 CO 0.17 -1.12 0.83 0.29 0.41 0.00 0.00 173.24 173.82 1wgq n LYS 18 N -1.83 1.21 -0.09 12.44 5.02 -1.26 -1.95 118.16 131.70 1wgq n LYS 18 Ca 0.02 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.16 1wgq n LYS 18 Cb 0.64 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.07 -0.74 0.11 0.72 0.00 -1.26 -4.94 105.19 99.01 1wgq n GLY 19 Ca 0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 1wgq n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 20 N 0.00 1.94 -0.03 1.61 7.64 -1.26 -4.35 113.62 119.17 1wgq n SER 20 Ca 0.00 0.36 0.07 0.00 1.01 0.00 0.00 58.87 60.31 1wgq n SER 20 Cb 0.00 -0.78 0.42 0.00 -1.01 0.00 0.00 64.21 62.83 1wgq n SER 20 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 21 N -4.40 1.03 -2.43 1.43 5.02 -1.26 -4.83 118.16 112.73 1wgq n LYS 21 Ca -0.28 -0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 55.65 1wgq n LYS 21 Cb 0.64 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.99 3.79 0.22 1.97 -0.14 -1.26 -5.03 119.74 117.30 1wgq s LYS 22 Ca 0.22 0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 55.23 1wgq s LYS 22 Cb 0.10 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.95 1wgq s LYS 22 CO 0.17 -0.26 1.10 -1.25 -0.76 0.00 0.00 175.35 174.35 1wgq s PRO 23 N -4.31 4.61 0.47 -1.68 0.04 -1.26 -4.83 135.00 128.04 1wgq s PRO 23 Ca 0.55 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 1wgq s PRO 23 Cb -0.10 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 1wgq s PRO 23 CO 0.37 0.13 0.98 -1.58 0.04 0.00 0.00 177.00 176.94 1wgq s TRP 24 N -0.59 3.29 -0.31 0.56 0.52 -1.26 -4.48 118.94 116.68 1wgq s TRP 24 Ca 0.48 1.56 0.03 0.00 0.02 0.00 0.00 56.10 58.18 1wgq s TRP 24 Cb -0.30 -2.87 0.09 0.00 -1.15 0.00 0.00 33.47 29.23 1wgq s TRP 24 CO 0.37 -0.33 0.02 0.15 0.02 0.00 0.00 176.95 177.17 1wgq s LYS 25 N -3.48 1.50 -0.52 4.98 1.02 -1.06 -4.94 119.74 117.25 1wgq s LYS 25 Ca 0.62 -1.52 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 1wgq s LYS 25 Cb -0.11 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1wgq s LYS 25 CO 0.20 -0.83 1.94 -1.01 -0.92 0.00 0.00 175.35 174.73 1wgq s HIS 26 N 1.13 1.59 0.27 3.18 3.76 -1.26 -1.93 115.29 122.03 1wgq s HIS 26 Ca 0.05 0.87 0.02 0.00 -0.15 0.00 0.00 55.06 55.85 1wgq s HIS 26 Cb -0.19 -4.01 -0.05 0.00 1.11 0.00 0.00 32.58 29.44 1wgq s HIS 26 CO -0.10 -2.52 0.09 -0.51 -0.85 0.00 0.00 174.74 170.85 1wgq s LEU 27 N 9.07 1.76 0.02 0.89 1.43 -0.86 -5.01 118.68 125.98 1wgq s LEU 27 Ca 0.76 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1wgq s LEU 27 Cb -0.16 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1wgq s LEU 27 CO 0.25 -0.70 -0.05 0.86 0.23 0.00 0.00 176.35 176.94 1wgq s TRP 28 N -3.65 2.92 0.05 0.29 -0.11 -0.97 -1.53 118.94 115.95 1wgq s TRP 28 Ca 0.37 -0.02 -0.03 0.00 1.22 0.00 0.00 56.10 57.64 1wgq s TRP 28 Cb 0.08 -1.60 -0.03 0.00 -1.50 0.00 0.00 33.47 30.43 1wgq s TRP 28 CO 0.14 0.41 0.02 -0.06 -4.62 0.00 0.00 176.95 172.84 1wgq s PHE 29 N -1.07 0.40 -0.04 5.86 0.40 -1.26 0.18 117.98 122.45 1wgq s PHE 29 Ca 0.19 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.49 1wgq s PHE 29 Cb -0.11 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.16 1wgq s PHE 29 CO 0.10 -0.38 0.36 0.08 0.70 0.00 0.00 175.22 176.07 1wgq s VAL 30 N -3.50 0.04 -0.55 -0.44 1.01 -0.55 -3.61 120.40 112.81 1wgq s VAL 30 Ca 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1wgq s VAL 30 Cb 0.05 -0.64 0.14 0.00 0.00 0.00 0.00 36.38 35.92 1wgq s VAL 30 CO -0.09 -0.20 0.32 -0.63 0.00 0.00 0.00 175.10 174.51 1wgq s ILE 31 N -1.10 3.00 0.33 2.22 1.01 -1.16 -0.87 121.20 124.63 1wgq s ILE 31 Ca -0.11 -3.17 0.10 0.00 0.00 0.00 0.00 60.65 57.47 1wgq s ILE 31 Cb -0.04 -3.03 0.32 0.00 0.01 0.00 0.00 42.46 39.72 1wgq s ILE 31 CO 0.04 -0.82 1.76 0.07 0.00 0.00 0.00 174.94 175.99 1wgq h LYS 32 N 6.72 0.60 0.00 2.79 2.10 -1.88 -3.38 116.57 123.52 1wgq h LYS 32 Ca -0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1wgq h LYS 32 Cb 0.92 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1wgq h LYS 32 CO 0.69 0.40 0.00 -1.71 -2.00 0.00 0.00 179.45 176.83 1wgq n ASN 33 N -4.78 -0.63 -0.65 7.07 5.15 -1.26 -4.86 115.26 115.30 1wgq n ASN 33 Ca 0.25 0.23 -0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1wgq n ASN 33 Cb 0.69 0.82 -0.00 0.00 -0.53 0.00 0.00 39.78 40.76 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 -2.54 0.00 -3.98 1.20 5.02 -1.26 -4.73 118.16 111.86 1wgq n LYS 34 Ca 0.00 -0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 55.26 1wgq n LYS 34 Cb 0.00 -0.18 -0.17 0.00 -0.02 0.00 0.00 35.03 34.66 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 1.39 -0.89 -0.18 1.01 -1.26 -2.79 120.40 117.67 1wgq s VAL 35 Ca 0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1wgq s VAL 35 Cb 0.04 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.13 1wgq s VAL 35 CO -0.02 0.40 1.30 -0.22 0.00 0.00 0.00 175.10 176.56 1wgq s LEU 36 N 1.56 3.76 0.10 3.92 1.98 -0.41 -3.36 118.68 126.23 1wgq s LEU 36 Ca 0.04 -1.23 -0.24 0.00 -2.89 0.00 0.00 54.13 49.81 1wgq s LEU 36 Cb -0.13 -2.52 -0.07 0.00 0.66 0.00 0.00 46.19 44.13 1wgq s LEU 36 CO -0.10 -1.52 0.75 -0.31 -1.89 0.00 0.00 176.35 173.28 1wgq s TYR 37 N 4.71 3.81 0.37 5.38 2.02 -0.05 -2.59 117.35 131.01 1wgq s TYR 37 Ca 0.38 1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 58.57 1wgq s TYR 37 Cb -0.05 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 1wgq s TYR 37 CO -0.01 0.41 0.62 0.99 -1.57 0.00 0.00 175.55 175.99 1wgq s THR 38 N -0.62 5.03 0.16 -0.71 2.01 0.61 -1.48 115.64 120.64 1wgq s THR 38 Ca 0.36 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 1wgq s THR 38 Cb -0.21 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1wgq s THR 38 CO 0.24 -0.58 0.30 -1.22 -0.69 0.00 0.00 174.62 172.67 1wgq n TYR 39 N -1.71 -1.40 0.00 4.92 4.01 0.47 -1.29 117.16 122.17 1wgq n TYR 39 Ca -0.02 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.86 1wgq n TYR 39 Cb 0.55 0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 -1.97 2.63 -4.02 -0.72 0.00 -1.26 -2.28 120.51 112.89 1wgq n ALA 40 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 1wgq n ALA 40 Cb 0.25 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1wgq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq n ALA 41 N -2.50 0.46 -0.40 0.00 0.00 -1.26 -4.23 120.51 112.58 1wgq n ALA 41 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1wgq n ALA 41 Cb 0.27 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1wgq n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgq n SER 42 N -1.65 0.00 -3.10 0.00 2.88 -1.26 -3.87 113.62 106.62 1wgq n SER 42 Ca -0.06 0.74 -0.39 0.00 -1.33 0.00 0.00 58.87 57.83 1wgq n SER 42 Cb 0.42 -0.30 0.03 0.00 -0.75 0.00 0.00 64.21 63.61 1wgq n SER 42 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wgq n GLU 43 N -1.39 3.62 -1.45 -1.46 1.02 -1.26 -5.03 120.64 114.69 1wgq n GLU 43 Ca 0.00 -3.98 -0.39 0.00 -0.02 0.00 0.00 57.16 52.78 1wgq n GLU 43 Cb 0.00 -2.33 0.03 0.00 -0.02 0.00 0.00 31.44 29.12 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 -0.38 -1.15 0.02 1.62 -0.08 -1.25 -4.79 116.55 110.53 1wgq n ASP 44 Ca 0.50 0.76 0.17 0.00 -1.51 0.00 0.00 54.79 54.71 1wgq n ASP 44 Cb 0.27 -1.15 0.64 0.00 2.34 0.00 0.00 41.12 43.23 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1wgq h VAL 45 N 0.33 0.80 -2.47 5.18 -1.51 -1.96 -3.44 116.25 113.18 1wgq h VAL 45 Ca -0.45 -0.03 0.11 0.00 -1.23 0.00 0.00 66.70 65.11 1wgq h VAL 45 Cb 1.40 0.71 -0.11 0.00 -2.13 0.00 0.00 31.29 31.16 1wgq h VAL 45 CO 0.47 0.02 0.43 0.00 -1.23 0.00 0.00 177.57 177.26 1wgq s ALA 46 N -5.11 -1.67 0.36 5.19 0.00 -1.26 -5.15 121.76 114.11 1wgq s ALA 46 Ca -0.06 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 1wgq s ALA 46 Cb 0.19 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.83 1wgq s ALA 46 CO 0.73 -0.87 1.02 0.00 0.00 0.00 0.00 175.76 176.64 1wgq s ALA 47 N -3.34 3.17 0.03 0.00 0.00 -1.26 -4.80 121.76 115.56 1wgq s ALA 47 Ca 0.08 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 1wgq s ALA 47 Cb -0.02 -3.25 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 1wgq s ALA 47 CO -0.04 -0.08 1.26 -0.07 0.00 0.00 0.00 175.76 176.83 1wgq h LEU 48 N 2.91 0.45 -8.44 0.00 3.38 -1.50 -3.47 115.31 108.65 1wgq h LEU 48 Ca -0.48 -0.58 -0.18 0.00 0.09 0.00 0.00 57.88 56.73 1wgq h LEU 48 Cb 1.21 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1wgq h LEU 48 CO 0.64 0.96 -0.48 -1.61 0.09 0.00 0.00 178.44 178.03 1wgq s GLU 49 N -3.90 1.23 -0.05 1.13 0.41 -1.25 -4.99 118.70 111.28 1wgq s GLU 49 Ca -0.14 -1.47 -0.02 0.00 -0.41 0.00 0.00 54.97 52.93 1wgq s GLU 49 Cb 0.05 0.32 0.04 0.00 -1.78 0.00 0.00 34.13 32.75 1wgq s GLU 49 CO 0.78 -0.43 0.09 -1.54 -0.49 0.00 0.00 175.26 173.67 1wgq s SER 50 N -3.09 0.67 -0.13 -0.19 1.04 -1.26 -0.28 113.70 110.46 1wgq s SER 50 Ca 0.31 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1wgq s SER 50 Cb 0.05 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.25 1wgq s SER 50 CO 0.09 -0.21 0.20 -1.58 0.98 0.00 0.00 173.24 172.71 1wgq s GLN 51 N 1.85 0.10 0.63 4.02 2.00 -1.07 -5.02 119.66 122.17 1wgq s GLN 51 Ca -0.00 0.51 -0.14 0.00 -2.00 0.00 0.00 55.36 53.73 1wgq s GLN 51 Cb -0.12 -0.48 -0.02 0.00 0.80 0.00 0.00 33.01 33.19 1wgq s GLN 51 CO -0.04 -0.39 1.05 -1.25 -0.50 0.00 0.00 175.29 174.16 1wgq s PRO 52 N 2.33 3.22 -0.45 1.67 0.04 -1.26 -1.29 135.00 139.25 1wgq s PRO 52 Ca 0.03 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.20 1wgq s PRO 52 Cb -0.13 -2.02 0.66 0.00 0.04 0.00 0.00 34.50 33.05 1wgq s PRO 52 CO -0.08 -0.88 1.92 1.28 0.04 0.00 0.00 177.00 179.27 1wgq n LEU 53 N -2.43 6.74 -4.58 -3.56 4.77 -1.12 -4.82 117.00 112.00 1wgq n LEU 53 Ca 0.08 -3.63 -0.41 0.00 -0.03 0.00 0.00 56.01 52.02 1wgq n LEU 53 Cb 0.53 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1wgq n LEU 53 CO 0.51 1.07 1.57 -0.22 -1.33 0.00 0.00 177.39 178.98 1wgq s LEU 54 N -3.32 3.41 0.00 2.23 1.98 -1.26 -2.00 118.68 119.72 1wgq s LEU 54 Ca 0.57 0.86 0.00 0.00 -2.89 0.00 0.00 54.13 52.67 1wgq s LEU 54 Cb 0.48 -3.05 0.00 0.00 0.66 0.00 0.00 46.19 44.28 1wgq s LEU 54 CO 0.10 -2.04 0.00 0.61 -1.89 0.00 0.00 176.35 173.14 1wgq n GLY 55 N 5.55 3.07 2.96 7.98 0.00 -1.26 -5.04 105.19 118.45 1wgq n GLY 55 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.72 -3.51 -3.94 1.61 3.01 -0.85 -4.08 117.46 108.99 1wgq n PHE 56 Ca 0.00 -0.66 -0.08 0.00 1.01 0.00 0.00 57.45 57.72 1wgq n PHE 56 Cb 0.00 -1.19 -0.04 0.00 -0.01 0.00 0.00 39.48 38.24 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 -2.02 0.00 0.04 4.37 2.01 0.51 -4.76 115.64 115.78 1wgq s THR 57 Ca 0.58 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1wgq s THR 57 Cb -0.10 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1wgq s THR 57 CO 0.49 0.00 0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 1wgq s VAL 58 N -3.90 0.15 -0.03 3.82 1.01 -1.26 0.71 120.40 120.90 1wgq s VAL 58 Ca 0.18 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 1wgq s VAL 58 Cb -0.03 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.53 1wgq s VAL 58 CO 0.08 -0.67 0.82 0.28 0.00 0.00 0.00 175.10 175.62 1wgq s THR 59 N -2.70 0.00 0.32 3.92 -1.32 -0.95 -4.89 115.64 110.02 1wgq s THR 59 Ca -0.04 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 1wgq s THR 59 Cb -0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 1wgq s THR 59 CO -0.05 0.00 0.86 -0.22 -2.21 0.00 0.00 174.62 173.00 1wgq s LEU 60 N -1.88 4.23 0.08 9.08 1.98 -1.26 -0.63 118.68 130.28 1wgq s LEU 60 Ca -0.01 1.63 0.08 0.00 -2.89 0.00 0.00 54.13 52.94 1wgq s LEU 60 Cb -0.01 -4.00 -0.03 0.00 0.66 0.00 0.00 46.19 42.81 1wgq s LEU 60 CO -0.03 -0.11 -0.22 0.54 -1.89 0.00 0.00 176.35 174.64 1wgq s VAL 61 N -1.74 1.79 0.00 1.68 0.11 -1.03 -4.86 120.40 116.35 1wgq s VAL 61 Ca 0.51 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1wgq s VAL 61 Cb -0.15 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1wgq s VAL 61 CO 0.20 0.07 0.06 0.29 -3.33 0.00 0.00 175.10 172.40 1wgq n LYS 62 N 1.36 0.00 -0.63 1.54 4.01 -1.26 -4.63 118.16 118.54 1wgq n LYS 62 Ca -0.18 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1wgq n LYS 62 Cb 0.53 -0.56 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 1wgq n LYS 62 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wgq n ASP 63 N -0.07 0.00 -1.40 4.39 2.03 -1.26 -3.94 116.55 116.30 1wgq n ASP 63 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wgq n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.00 -3.26 0.00 -0.67 2.13 -1.26 -4.58 120.64 111.00 1wgq n GLU 64 Ca 0.00 2.51 0.00 0.00 0.66 0.00 0.00 57.16 60.33 1wgq n GLU 64 Cb 0.00 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.23 1wgq n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wgq n ASN 65 N 1.06 0.00 -4.58 4.31 2.85 -1.26 -4.93 115.26 112.71 1wgq n ASN 65 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 1wgq n ASN 65 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 1wgq n ASN 65 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wgq s SER 66 N 0.00 6.41 0.04 1.20 0.01 -1.25 -4.84 113.70 115.27 1wgq s SER 66 Ca 0.00 0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.56 1wgq s SER 66 Cb 0.00 -2.55 -0.20 0.00 0.21 0.00 0.00 66.02 63.48 1wgq s SER 66 CO 0.00 -1.50 0.92 -0.33 0.41 0.00 0.00 173.24 172.74 1wgq h GLU 67 N 9.77 0.00 0.00 12.44 4.39 -1.86 -3.40 114.58 135.92 1wgq h GLU 67 Ca -0.25 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.32 1wgq h GLU 67 Cb 1.06 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.61 1wgq h GLU 67 CO 1.18 0.63 -0.11 0.43 -1.16 0.00 0.00 179.01 179.97 1wgq n SER 68 N -3.13 -1.22 -0.05 1.42 7.64 -1.26 -4.88 113.62 112.13 1wgq n SER 68 Ca -0.10 -1.90 -0.06 0.00 1.01 0.00 0.00 58.87 57.82 1wgq n SER 68 Cb 0.97 0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 64.86 1wgq n SER 68 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wgq n LYS 69 N -0.71 1.28 -4.80 1.43 4.81 -1.26 -4.48 118.16 114.43 1wgq n LYS 69 Ca -0.13 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 57.01 1wgq n LYS 69 Cb 0.74 -1.22 -0.12 0.00 0.02 0.00 0.00 35.03 34.44 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 -2.22 3.24 0.38 3.15 0.11 -1.26 -1.58 120.40 122.21 1wgq s VAL 70 Ca -0.10 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1wgq s VAL 70 Cb 0.03 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1wgq s VAL 70 CO 0.30 0.58 0.18 0.72 -3.33 0.00 0.00 175.10 173.55 1wgq s PHE 71 N -0.77 1.75 0.09 1.54 -0.71 0.23 -2.45 117.98 117.66 1wgq s PHE 71 Ca 0.12 -1.43 0.05 0.00 -1.04 0.00 0.00 56.93 54.63 1wgq s PHE 71 Cb -0.11 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.69 1wgq s PHE 71 CO 0.01 -0.52 -0.13 -0.65 -1.34 0.00 0.00 175.22 172.60 1wgq s GLN 72 N -3.63 0.85 -0.58 1.99 -0.21 0.19 0.13 119.66 118.40 1wgq s GLN 72 Ca 0.30 -1.05 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 1wgq s GLN 72 Cb 0.02 -0.72 0.15 0.00 1.00 0.00 0.00 33.01 33.46 1wgq s GLN 72 CO 0.19 0.14 0.49 -1.17 -2.12 0.00 0.00 175.29 172.82 1wgq s LEU 73 N -2.06 6.03 0.41 2.90 2.96 -0.14 -2.23 118.68 126.54 1wgq s LEU 73 Ca 0.02 -2.13 -0.23 0.00 -0.22 0.00 0.00 54.13 51.57 1wgq s LEU 73 Cb -0.07 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.42 1wgq s LEU 73 CO 0.02 -0.69 0.98 -0.76 -1.32 0.00 0.00 176.35 174.58 1wgq s LEU 74 N 1.04 4.06 -0.33 -0.68 1.43 0.22 0.17 118.68 124.58 1wgq s LEU 74 Ca 0.09 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1wgq s LEU 74 Cb -0.23 -4.35 0.12 0.00 0.03 0.00 0.00 46.19 41.75 1wgq s LEU 74 CO -0.02 -0.39 0.17 -2.28 0.23 0.00 0.00 176.35 174.06 1wgq s HIS 75 N -1.91 0.93 0.00 0.29 2.46 0.49 0.19 115.29 117.73 1wgq s HIS 75 Ca 0.59 -1.49 0.00 0.00 0.47 0.00 0.00 55.06 54.63 1wgq s HIS 75 Cb -0.15 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 1wgq s HIS 75 CO 0.19 -0.83 0.00 1.63 -2.47 0.00 0.00 174.74 173.26 1wgq n LYS 76 N 4.54 0.00 0.00 2.88 5.02 -1.26 -3.01 118.16 126.33 1wgq n LYS 76 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1wgq n LYS 76 Cb 0.39 -2.50 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 1.20 3.81 0.72 0.00 -1.26 -5.10 105.19 102.28 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 0.00 4.04 0.30 1.61 -1.94 -1.17 -4.97 119.30 117.17 1wgq s MET 78 Ca 0.00 0.48 -0.29 0.00 -1.71 0.00 0.00 55.69 54.17 1wgq s MET 78 Cb 0.00 -3.25 -0.10 0.00 2.01 0.00 0.00 34.83 33.48 1wgq s MET 78 CO 0.00 0.61 1.36 0.08 -0.01 0.00 0.00 175.02 177.06 1wgq s VAL 79 N -0.84 2.67 -0.20 -6.03 1.01 -1.26 0.19 120.40 115.93 1wgq s VAL 79 Ca 0.25 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 1wgq s VAL 79 Cb -0.17 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1wgq s VAL 79 CO 0.14 0.13 -0.19 0.33 0.00 0.00 0.00 175.10 175.51 1wgq n PHE 80 N 1.37 0.00 -3.84 5.22 7.35 0.44 -4.80 117.46 123.19 1wgq n PHE 80 Ca 0.03 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 1wgq n PHE 80 Cb 0.41 -0.78 -0.01 0.00 0.35 0.00 0.00 39.48 39.46 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 -2.40 -0.10 -0.17 -5.13 2.02 -1.21 -4.95 117.35 105.40 1wgq s TYR 81 Ca -0.28 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1wgq s TYR 81 Cb 0.08 0.74 0.01 0.00 -0.40 0.00 0.00 41.96 42.40 1wgq s TYR 81 CO 0.46 -1.31 -0.19 0.08 -1.57 0.00 0.00 175.55 173.01 1wgq s VAL 82 N -3.42 2.19 -0.21 0.71 1.01 -0.82 -0.97 120.40 118.89 1wgq s VAL 82 Ca 0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1wgq s VAL 82 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1wgq s VAL 82 CO 0.08 0.53 -0.03 -0.36 0.00 0.00 0.00 175.10 175.33 1wgq s PHE 83 N 1.20 2.98 -0.08 5.22 0.08 0.12 -0.27 117.98 127.22 1wgq s PHE 83 Ca 0.02 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.38 1wgq s PHE 83 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1wgq s PHE 83 CO -0.10 -0.40 -0.13 0.21 -0.10 0.00 0.00 175.22 174.70 1wgq s LYS 84 N 1.24 2.89 0.16 0.44 2.20 -1.04 0.75 119.74 126.38 1wgq s LYS 84 Ca 0.03 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1wgq s LYS 84 Cb -0.14 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1wgq s LYS 84 CO -0.00 0.47 0.03 0.00 -0.36 0.00 0.00 175.35 175.48 1wgq s ALA 85 N -0.31 3.29 0.12 3.13 0.00 -0.61 -2.83 121.76 124.56 1wgq s ALA 85 Ca 0.03 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 1wgq s ALA 85 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1wgq s ALA 85 CO 0.03 0.53 1.62 -0.44 0.00 0.00 0.00 175.76 177.50 1wgq h ASP 86 N 2.79 0.59 -1.33 0.00 3.32 -1.86 -3.45 116.42 116.48 1wgq h ASP 86 Ca -0.47 -0.23 -0.52 0.00 0.02 0.00 0.00 57.03 55.82 1wgq h ASP 86 Cb 1.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1wgq h ASP 86 CO 0.59 0.67 -0.38 -1.81 -1.72 0.00 0.00 179.24 176.60 1wgq s ASP 87 N -5.98 4.86 -0.21 6.45 1.11 -1.26 -5.07 116.67 116.57 1wgq s ASP 87 Ca -0.13 -0.90 -0.18 0.00 0.18 0.00 0.00 52.55 51.52 1wgq s ASP 87 Cb 0.10 -0.34 -0.15 0.00 1.07 0.00 0.00 42.92 43.60 1wgq s ASP 87 CO 0.77 -0.74 0.02 0.00 1.18 0.00 0.00 175.17 176.40 1wgq n ALA 88 N -1.55 0.81 -0.34 5.23 0.00 -1.26 -3.78 120.51 119.60 1wgq n ALA 88 Ca 0.02 -0.60 0.18 0.00 0.00 0.00 0.00 53.44 53.04 1wgq n ALA 88 Cb 0.63 -0.32 0.40 0.00 0.00 0.00 0.00 19.45 20.16 1wgq n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgq h HIS 89 N -1.00 1.00 -0.78 0.00 3.86 -1.98 0.82 115.15 117.07 1wgq h HIS 89 Ca -0.34 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1wgq h HIS 89 Cb 1.21 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 1wgq h HIS 89 CO -0.01 0.05 0.41 0.77 0.86 0.00 0.00 177.93 180.01 1wgq h SER 90 N 0.56 0.98 0.07 2.45 0.02 -1.92 -2.91 113.55 112.80 1wgq h SER 90 Ca 0.65 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.53 1wgq h SER 90 Cb 1.26 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1wgq h SER 90 CO -0.47 0.80 -0.42 0.74 -1.14 0.00 0.00 176.83 176.33 1wgq h THR 91 N 1.09 0.15 -0.93 -2.27 2.02 0.58 -1.80 112.91 111.76 1wgq h THR 91 Ca 0.27 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.62 1wgq h THR 91 Cb 0.05 0.15 -0.16 0.00 -1.74 0.00 0.00 68.15 66.45 1wgq h THR 91 CO -0.04 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.54 1wgq n GLN 92 N -5.46 -0.16 0.21 6.66 1.13 -1.08 0.17 117.38 118.85 1wgq n GLN 92 Ca -0.07 1.44 -0.13 0.00 -1.94 0.00 0.00 57.00 56.31 1wgq n GLN 92 Cb 0.38 -2.15 -0.07 0.00 0.11 0.00 0.00 30.24 28.51 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 -0.69 -0.81 -1.09 -0.00 -1.38 0.12 114.38 110.53 1wgq h ARG 93 Ca 0.38 0.05 0.15 0.00 -0.50 0.00 0.00 59.98 60.06 1wgq h ARG 93 Cb 0.61 0.16 -0.15 0.00 0.00 0.00 0.00 29.97 30.59 1wgq h ARG 93 CO -0.94 -0.46 -0.25 -1.49 0.00 0.00 0.00 179.97 176.83 1wgq h TRP 94 N -0.72 -0.59 0.00 3.04 4.06 -0.13 1.14 115.95 122.75 1wgq h TRP 94 Ca -0.04 0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1wgq h TRP 94 Cb 0.62 0.39 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1wgq h TRP 94 CO -0.20 -0.37 0.00 -0.89 -3.56 0.00 0.00 178.44 173.42 1wgq n ILE 95 N -5.51 0.00 -0.32 1.49 5.41 0.13 0.36 119.36 120.91 1wgq n ILE 95 Ca 0.10 1.48 0.19 0.00 1.00 0.00 0.00 62.75 65.52 1wgq n ILE 95 Cb 0.41 -2.23 0.39 0.00 -0.71 0.00 0.00 39.64 37.49 1wgq n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1wgq h ASP 96 N 0.00 0.37 -0.55 4.38 3.58 0.52 1.12 116.42 125.84 1wgq h ASP 96 Ca 0.00 0.18 0.06 0.00 0.42 0.00 0.00 57.03 57.70 1wgq h ASP 96 Cb 0.00 0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 1wgq h ASP 96 CO 0.00 -0.09 0.24 0.00 -2.88 0.00 0.00 179.24 176.51 1wgq h ALA 97 N 1.80 0.70 -0.07 -0.78 0.00 0.26 1.44 119.26 122.61 1wgq h ALA 97 Ca 0.65 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.49 1wgq h ALA 97 Cb 1.38 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1wgq h ALA 97 CO -0.59 -0.13 -0.41 0.74 0.00 0.00 0.00 179.25 178.86 1wgq h PHE 98 N 0.46 0.55 0.62 0.00 0.04 0.56 -2.62 116.94 116.56 1wgq h PHE 98 Ca 0.26 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1wgq h PHE 98 Cb 0.23 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.30 1wgq h PHE 98 CO -0.13 1.01 -0.30 1.96 -0.60 0.00 0.00 178.31 180.25 1wgq h GLN 99 N -0.06 -0.81 -0.84 1.51 1.08 0.12 -1.70 115.11 114.41 1wgq h GLN 99 Ca -0.03 0.06 0.22 0.00 -1.45 0.00 0.00 58.65 57.44 1wgq h GLN 99 Cb 1.06 0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 28.63 1wgq h GLN 99 CO 0.08 -0.51 0.58 0.93 -0.95 0.00 0.00 178.83 178.96 1wgq h GLU 100 N -0.91 0.18 0.49 1.46 5.08 0.19 -0.05 114.58 121.02 1wgq h GLU 100 Ca -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1wgq h GLU 100 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wgq h GLU 100 CO 0.14 0.12 -0.23 0.78 -1.00 0.00 0.00 179.01 178.82 1wgq h GLY 101 N 0.19 -0.68 0.14 -3.84 0.00 -1.03 -3.16 103.07 94.68 1wgq h GLY 101 Ca 0.42 0.25 0.19 0.00 0.00 0.00 0.00 47.33 48.19 1wgq h GLY 101 CO -0.08 -0.25 0.60 -0.91 0.00 0.00 0.00 176.54 175.89 1wgq h THR 102 N -0.81 0.71 -2.01 4.70 1.35 -0.69 -3.41 112.91 112.74 1wgq h THR 102 Ca -0.07 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1wgq h THR 102 Cb 0.50 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1wgq h THR 102 CO 0.11 0.14 0.00 1.33 -0.25 0.00 0.00 175.52 176.85 1wgq n VAL 103 N -4.78 0.00 -0.87 6.82 0.24 -0.09 -4.60 118.33 115.06 1wgq n VAL 103 Ca 0.23 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.61 1wgq n VAL 103 Cb 0.56 -1.65 0.20 0.00 -1.47 0.00 0.00 33.84 31.48 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 -0.92 3.28 0.00 -1.34 2.88 -1.25 -4.88 113.62 111.39 1wgq n SER 104 Ca 0.00 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1wgq n SER 104 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -0.64 -1.40 0.19 0.46 0.00 -1.21 -4.00 105.19 98.58 1wgq n GLY 105 Ca 0.18 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1wgq n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq h PRO 106 N 0.00 0.64 -0.22 1.61 0.13 -1.98 -3.45 132.00 128.73 1wgq h PRO 106 Ca 0.00 -0.62 0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1wgq h PRO 106 Cb 0.00 0.16 -0.17 0.00 0.13 0.00 0.00 31.00 31.12 1wgq h PRO 106 CO 0.00 1.23 -0.12 -1.54 -0.23 0.00 0.00 178.00 177.34 1wgq s SER 107 N -7.05 -0.33 0.43 1.44 1.04 -1.26 -5.15 113.70 102.81 1wgq s SER 107 Ca -0.11 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1wgq s SER 107 Cb 0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1wgq s SER 107 CO 0.88 -0.03 0.00 -1.20 0.98 0.00 0.00 173.24 173.87 1wgq n SER 108 N 3.39 -7.09 0.00 7.02 7.64 -1.26 -5.19 113.62 118.14 1wgq n SER 108 Ca 0.07 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1wgq n SER 108 Cb 0.64 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64