#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 2.22 0.08 1.61 0.01 -1.26 -5.12 113.70 111.24 1wgq s SER 2 Ca 0.00 -0.36 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 1wgq s SER 2 Cb 0.00 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1wgq s SER 2 CO 0.00 -0.03 0.22 -0.44 0.41 0.00 0.00 173.24 173.40 1wgq s SER 3 N 1.21 0.06 -1.14 2.44 0.01 -1.26 -5.09 113.70 109.93 1wgq s SER 3 Ca -0.03 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 1wgq s SER 3 Cb -0.14 0.35 0.26 0.00 0.21 0.00 0.00 66.02 66.70 1wgq s SER 3 CO -0.04 -0.72 1.25 0.61 0.41 0.00 0.00 173.24 174.75 1wgq n GLY 4 N 0.05 4.19 3.19 3.44 0.00 -1.26 -5.03 105.19 109.76 1wgq n GLY 4 Ca -0.16 -2.48 -0.35 0.00 0.00 0.00 0.00 46.02 43.03 1wgq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 5 N 3.10 -4.23 -4.22 1.61 7.64 -1.26 -4.96 113.62 111.31 1wgq n SER 5 Ca 0.27 0.30 -0.34 0.00 1.01 0.00 0.00 58.87 60.11 1wgq n SER 5 Cb 0.39 -0.94 -0.15 0.00 -1.01 0.00 0.00 64.21 62.49 1wgq n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgq s SER 6 N -1.35 3.68 0.00 6.43 0.01 -1.26 -4.84 113.70 116.36 1wgq s SER 6 Ca 0.49 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wgq s SER 6 Cb -0.23 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1wgq s SER 6 CO 0.75 0.00 0.00 0.61 0.41 0.00 0.00 173.24 175.01 1wgq n GLY 7 N 4.63 0.77 0.89 3.44 0.00 -1.26 -4.84 105.19 108.81 1wgq n GLY 7 Ca -0.20 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.29 1wgq n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgq n SER 8 N 0.00 -5.05 -0.31 1.61 2.88 -1.26 -3.48 113.62 108.01 1wgq n SER 8 Ca 0.00 0.39 0.15 0.00 -1.33 0.00 0.00 58.87 58.08 1wgq n SER 8 Cb 0.00 -2.89 0.33 0.00 -0.75 0.00 0.00 64.21 60.90 1wgq n SER 8 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wgq h THR 9 N -0.87 0.28 -2.26 2.46 2.02 -1.93 -3.41 112.91 109.20 1wgq h THR 9 Ca 0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1wgq h THR 9 Cb 1.20 0.06 -0.22 0.00 -1.74 0.00 0.00 68.15 67.45 1wgq h THR 9 CO 0.01 0.04 0.01 -0.32 0.37 0.00 0.00 175.52 175.62 1wgq s MET 10 N -5.88 0.73 -0.29 6.66 0.00 -1.23 -4.97 119.30 114.33 1wgq s MET 10 Ca -0.12 0.79 -0.22 0.00 0.00 0.00 0.00 55.69 56.15 1wgq s MET 10 Cb 0.27 0.36 0.14 0.00 0.00 0.00 0.00 34.83 35.59 1wgq s MET 10 CO 0.77 -0.10 1.05 -1.54 0.00 0.00 0.00 175.02 175.21 1wgq s SER 11 N 0.20 -0.43 0.00 1.11 1.04 -1.23 -2.87 113.70 111.52 1wgq s SER 11 Ca -0.01 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1wgq s SER 11 Cb -0.04 0.93 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1wgq s SER 11 CO 0.01 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1wgq n GLY 12 N 2.70 2.80 3.71 7.32 0.00 -1.23 -4.98 105.19 115.51 1wgq n GLY 12 Ca -0.14 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 2.97 0.08 1.61 2.02 -1.26 -3.87 117.35 116.90 1wgq s TYR 13 Ca 0.00 0.61 0.06 0.00 -0.37 0.00 0.00 57.07 57.37 1wgq s TYR 13 Cb 0.00 -3.90 -0.03 0.00 -0.40 0.00 0.00 41.96 37.63 1wgq s TYR 13 CO 0.00 -3.36 -0.15 -0.51 -1.57 0.00 0.00 175.55 169.96 1wgq s LEU 14 N 1.43 2.30 -0.29 -1.29 1.43 -0.42 -4.72 118.68 117.12 1wgq s LEU 14 Ca 0.70 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1wgq s LEU 14 Cb -0.42 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1wgq s LEU 14 CO 0.31 -0.07 0.30 -0.31 0.23 0.00 0.00 176.35 176.81 1wgq s TYR 15 N -1.41 3.23 -0.01 0.29 2.02 -1.20 -1.86 117.35 118.41 1wgq s TYR 15 Ca 0.01 0.20 -0.18 0.00 -0.37 0.00 0.00 57.07 56.73 1wgq s TYR 15 Cb -0.09 -2.51 -0.06 0.00 -0.40 0.00 0.00 41.96 38.90 1wgq s TYR 15 CO 0.03 -0.24 0.49 0.50 -1.57 0.00 0.00 175.55 174.76 1wgq s ARG 16 N 1.93 4.15 -0.23 -0.62 3.52 -0.46 -2.59 118.95 124.65 1wgq s ARG 16 Ca 0.11 0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 56.11 1wgq s ARG 16 Cb -0.16 -3.29 0.07 0.00 -1.56 0.00 0.00 34.95 30.00 1wgq s ARG 16 CO 0.11 0.50 0.58 -1.12 -0.81 0.00 0.00 175.30 174.56 1wgq s SER 17 N -0.55 -0.73 0.31 -2.12 0.01 -0.55 -1.77 113.70 108.30 1wgq s SER 17 Ca 0.27 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1wgq s SER 17 Cb -0.17 1.16 0.51 0.00 0.21 0.00 0.00 66.02 67.72 1wgq s SER 17 CO 0.15 -0.22 1.91 0.11 0.41 0.00 0.00 173.24 175.60 1wgq h LYS 18 N 6.58 0.83 0.00 12.44 6.56 -1.90 1.05 116.57 142.13 1wgq h LYS 18 Ca -0.32 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1wgq h LYS 18 Cb 1.20 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1wgq h LYS 18 CO 0.19 0.65 0.00 0.41 -2.06 0.00 0.00 179.45 178.65 1wgq n GLY 19 N -1.13 3.81 0.13 3.86 0.00 -1.26 -4.54 105.19 106.07 1wgq n GLY 19 Ca 0.05 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 0.48 -0.29 1.61 0.02 -2.03 -3.32 113.55 110.02 1wgq h SER 20 Ca 0.00 -0.75 -0.20 0.00 -0.84 0.00 0.00 61.79 60.00 1wgq h SER 20 Cb 0.00 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.30 1wgq h SER 20 CO 0.00 1.64 0.26 0.29 -1.14 0.00 0.00 176.83 177.87 1wgq n LYS 21 N -3.50 1.49 -4.24 3.45 5.02 -1.26 -4.83 118.16 114.29 1wgq n LYS 21 Ca -0.22 -0.96 -0.17 0.00 -2.02 0.00 0.00 58.31 54.94 1wgq n LYS 21 Cb 1.06 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.11 1.02 -0.06 1.97 1.02 -1.25 -5.11 119.74 116.21 1wgq s LYS 22 Ca 0.19 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.61 1wgq s LYS 22 Cb 0.15 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.58 1wgq s LYS 22 CO -0.00 0.15 1.22 -1.25 -0.92 0.00 0.00 175.35 174.55 1wgq s PRO 23 N -2.84 4.33 0.25 -1.68 0.04 -1.26 -4.93 135.00 128.92 1wgq s PRO 23 Ca 0.10 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1wgq s PRO 23 Cb -0.04 -3.58 -0.10 0.00 0.04 0.00 0.00 34.50 30.83 1wgq s PRO 23 CO 0.03 -0.48 1.38 -1.58 0.04 0.00 0.00 177.00 176.38 1wgq s TRP 24 N 2.35 3.09 -0.19 0.56 0.52 -1.26 -4.76 118.94 119.25 1wgq s TRP 24 Ca 0.56 1.16 -0.01 0.00 0.02 0.00 0.00 56.10 57.83 1wgq s TRP 24 Cb -0.25 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 1wgq s TRP 24 CO 0.22 -2.28 -0.13 0.15 0.02 0.00 0.00 176.95 174.93 1wgq s LYS 25 N -0.59 3.19 -0.11 4.98 3.01 -0.73 -4.93 119.74 124.56 1wgq s LYS 25 Ca 0.56 -0.73 -0.29 0.00 -1.01 0.00 0.00 55.97 54.50 1wgq s LYS 25 Cb -0.40 -2.76 -0.03 0.00 -1.01 0.00 0.00 37.83 33.63 1wgq s LYS 25 CO 0.44 -0.16 1.42 -1.58 0.51 0.00 0.00 175.35 175.98 1wgq s HIS 26 N 1.27 2.51 0.19 3.18 5.65 -1.26 -1.35 115.29 125.48 1wgq s HIS 26 Ca 0.03 0.68 -0.04 0.00 0.25 0.00 0.00 55.06 55.98 1wgq s HIS 26 Cb -0.14 -3.67 -0.03 0.00 -1.18 0.00 0.00 32.58 27.55 1wgq s HIS 26 CO -0.07 -2.59 0.19 -0.51 -0.65 0.00 0.00 174.74 171.12 1wgq s LEU 27 N 3.62 1.09 -0.04 8.88 1.43 -0.78 -4.99 118.68 127.89 1wgq s LEU 27 Ca 0.63 -1.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1wgq s LEU 27 Cb -0.27 0.67 -0.01 0.00 0.03 0.00 0.00 46.19 46.61 1wgq s LEU 27 CO 0.21 -0.88 -0.25 0.86 0.23 0.00 0.00 176.35 176.53 1wgq s TRP 28 N -4.10 2.31 0.09 0.29 -0.11 -1.04 -1.31 118.94 115.07 1wgq s TRP 28 Ca 0.32 -0.57 0.02 0.00 1.22 0.00 0.00 56.10 57.09 1wgq s TRP 28 Cb 0.05 -1.51 -0.04 0.00 -1.50 0.00 0.00 33.47 30.48 1wgq s TRP 28 CO 0.09 -0.13 -0.07 -0.06 -4.62 0.00 0.00 176.95 172.16 1wgq s PHE 29 N -0.36 0.88 0.08 5.86 0.08 -1.25 0.75 117.98 124.01 1wgq s PHE 29 Ca 0.03 -0.83 -0.13 0.00 0.12 0.00 0.00 56.93 56.11 1wgq s PHE 29 Cb -0.12 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1wgq s PHE 29 CO 0.01 -0.12 0.31 0.08 -0.10 0.00 0.00 175.22 175.40 1wgq s VAL 30 N -3.20 0.09 -0.56 -0.44 1.01 -0.46 -3.49 120.40 113.35 1wgq s VAL 30 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1wgq s VAL 30 Cb 0.02 -1.10 0.14 0.00 0.00 0.00 0.00 36.38 35.45 1wgq s VAL 30 CO -0.03 -0.42 0.32 -0.63 0.00 0.00 0.00 175.10 174.34 1wgq s ILE 31 N -3.20 2.83 0.00 2.22 1.01 -1.14 -0.58 121.20 122.34 1wgq s ILE 31 Ca -0.00 -3.37 0.00 0.00 0.00 0.00 0.00 60.65 57.28 1wgq s ILE 31 Cb 0.01 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1wgq s ILE 31 CO -0.07 -0.84 0.12 1.17 0.00 0.00 0.00 174.94 175.31 1wgq n LYS 32 N 3.05 0.00 -3.40 2.79 4.81 -1.13 -4.47 118.16 119.80 1wgq n LYS 32 Ca 0.07 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.20 1wgq n LYS 32 Cb 0.33 -0.48 -0.07 0.00 0.02 0.00 0.00 35.03 34.84 1wgq n LYS 32 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wgq n ASN 33 N -0.26 4.25 -1.19 3.14 2.85 -1.26 -4.74 115.26 118.05 1wgq n ASN 33 Ca 0.00 -3.40 -0.15 0.00 -0.11 0.00 0.00 54.58 50.92 1wgq n ASN 33 Cb 0.00 -0.82 -0.07 0.00 1.24 0.00 0.00 39.78 40.13 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wgq n LYS 34 N 1.13 -1.59 -4.46 1.20 5.02 -1.26 -4.92 118.16 113.29 1wgq n LYS 34 Ca 0.28 1.02 -0.33 0.00 -2.02 0.00 0.00 58.31 57.26 1wgq n LYS 34 Cb 0.39 -5.42 -0.15 0.00 -0.02 0.00 0.00 35.03 29.83 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 -2.29 2.87 -0.96 -0.18 1.01 -1.26 -1.09 120.40 118.50 1wgq s VAL 35 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1wgq s VAL 35 Cb 0.00 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.21 1wgq s VAL 35 CO 0.00 0.50 1.38 -0.22 0.00 0.00 0.00 175.10 176.76 1wgq s LEU 36 N 0.83 3.67 0.06 3.92 1.98 0.13 -2.85 118.68 126.42 1wgq s LEU 36 Ca -0.04 -1.38 -0.30 0.00 -2.89 0.00 0.00 54.13 49.52 1wgq s LEU 36 Cb -0.15 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.11 1wgq s LEU 36 CO 0.00 -1.50 0.97 -0.31 -1.89 0.00 0.00 176.35 173.63 1wgq s TYR 37 N 4.77 3.73 0.44 5.38 2.02 0.26 -3.49 117.35 130.46 1wgq s TYR 37 Ca 0.42 1.74 -0.03 0.00 -0.37 0.00 0.00 57.07 58.84 1wgq s TYR 37 Cb -0.02 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 1wgq s TYR 37 CO -0.06 0.08 0.70 0.99 -1.57 0.00 0.00 175.55 175.69 1wgq s THR 38 N 0.51 4.83 0.30 -0.71 2.01 0.21 -1.35 115.64 121.44 1wgq s THR 38 Ca 0.50 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 1wgq s THR 38 Cb -0.22 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1wgq s THR 38 CO 0.29 -0.69 0.68 -0.31 -0.69 0.00 0.00 174.62 173.91 1wgq s TYR 39 N -2.59 0.04 -0.23 4.92 2.02 0.23 -1.10 117.35 120.64 1wgq s TYR 39 Ca 0.45 -0.53 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 1wgq s TYR 39 Cb -0.10 0.61 -0.06 0.00 -0.40 0.00 0.00 41.96 42.01 1wgq s TYR 39 CO 0.41 -1.28 0.22 0.00 -1.57 0.00 0.00 175.55 173.34 1wgq n ALA 40 N -0.47 2.67 0.00 3.71 0.00 -1.26 -2.51 120.51 122.65 1wgq n ALA 40 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1wgq n ALA 40 Cb 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.19 0.00 1.77 0.00 0.00 -1.26 -4.73 120.51 115.10 1wgq n ALA 41 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1wgq n ALA 41 Cb 0.09 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.45 -0.00 0.00 2.88 -1.26 -2.89 113.62 112.79 1wgq n SER 42 Ca 0.00 -1.64 0.06 0.00 -1.33 0.00 0.00 58.87 55.96 1wgq n SER 42 Cb 0.00 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.33 1wgq n SER 42 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wgq n GLU 43 N -0.43 0.72 -1.52 -1.46 2.13 -1.26 -5.01 120.64 113.81 1wgq n GLU 43 Ca 0.11 -0.10 -0.50 0.00 0.66 0.00 0.00 57.16 57.34 1wgq n GLU 43 Cb 0.12 -1.25 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 1wgq n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wgq n ASP 44 N -1.83 0.41 0.22 4.31 8.00 -1.14 -4.81 116.55 121.71 1wgq n ASP 44 Ca -0.02 1.15 0.05 0.00 0.71 0.00 0.00 54.79 56.68 1wgq n ASP 44 Cb 0.30 -1.10 0.49 0.00 -0.02 0.00 0.00 41.12 40.79 1wgq n ASP 44 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wgq h VAL 45 N 2.21 1.14 -2.79 2.53 -1.51 -1.95 -3.46 116.25 112.42 1wgq h VAL 45 Ca -0.40 -0.64 -0.08 0.00 -1.23 0.00 0.00 66.70 64.35 1wgq h VAL 45 Cb 1.38 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1wgq h VAL 45 CO 0.65 0.18 0.04 0.00 -1.23 0.00 0.00 177.57 177.21 1wgq n ALA 46 N -2.50 -0.60 -2.38 5.19 0.00 -1.26 -5.15 120.51 113.81 1wgq n ALA 46 Ca -0.02 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.25 1wgq n ALA 46 Cb 0.25 0.62 -0.05 0.00 0.00 0.00 0.00 19.45 20.26 1wgq n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgq s ALA 47 N -1.88 3.42 0.11 0.00 0.00 -1.26 -4.77 121.76 117.38 1wgq s ALA 47 Ca 0.12 0.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1wgq s ALA 47 Cb -0.02 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 1wgq s ALA 47 CO 0.09 0.13 1.71 -0.07 0.00 0.00 0.00 175.76 177.62 1wgq h LEU 48 N 5.48 0.26 -8.45 0.00 3.38 -1.43 -3.45 115.31 111.10 1wgq h LEU 48 Ca -0.45 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.20 1wgq h LEU 48 Cb 1.20 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1wgq h LEU 48 CO 0.70 0.26 -0.70 -1.61 0.09 0.00 0.00 178.44 177.18 1wgq s GLU 49 N -5.89 0.84 -0.02 1.13 0.41 -1.25 -4.98 118.70 108.94 1wgq s GLU 49 Ca -0.13 -1.29 -0.00 0.00 -0.41 0.00 0.00 54.97 53.13 1wgq s GLU 49 Cb 0.08 -0.29 0.02 0.00 -1.78 0.00 0.00 34.13 32.16 1wgq s GLU 49 CO 0.70 0.01 0.02 -1.54 -0.49 0.00 0.00 175.26 173.96 1wgq s SER 50 N -2.91 0.05 -0.18 -0.19 1.04 -1.26 0.64 113.70 110.89 1wgq s SER 50 Ca 0.10 0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.45 1wgq s SER 50 Cb 0.03 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.16 1wgq s SER 50 CO -0.03 -0.09 0.45 -1.58 0.98 0.00 0.00 173.24 172.96 1wgq s GLN 51 N 0.78 0.47 0.04 4.02 2.00 -1.23 -5.02 119.66 120.71 1wgq s GLN 51 Ca -0.06 0.78 -0.30 0.00 -2.00 0.00 0.00 55.36 53.77 1wgq s GLN 51 Cb -0.09 0.09 -0.05 0.00 0.80 0.00 0.00 33.01 33.75 1wgq s GLN 51 CO -0.02 -0.13 1.17 -1.25 -0.50 0.00 0.00 175.29 174.57 1wgq s PRO 52 N 1.03 4.43 0.60 1.67 0.04 -1.26 -0.69 135.00 140.82 1wgq s PRO 52 Ca -0.06 1.71 0.37 0.00 0.04 0.00 0.00 61.00 63.06 1wgq s PRO 52 Cb -0.06 -3.39 1.89 0.00 0.04 0.00 0.00 34.50 32.97 1wgq s PRO 52 CO -0.09 -0.26 2.19 -0.07 0.04 0.00 0.00 177.00 178.81 1wgq h LEU 53 N 7.02 0.00 -8.89 -3.56 3.38 -1.45 -3.43 115.31 108.37 1wgq h LEU 53 Ca -0.40 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.93 1wgq h LEU 53 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wgq h LEU 53 CO 0.81 0.02 1.33 -0.11 0.09 0.00 0.00 178.44 180.58 1wgq n LEU 54 N -3.22 2.83 0.00 1.67 -0.00 -1.26 0.07 117.00 117.10 1wgq n LEU 54 Ca -0.02 0.55 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 1wgq n LEU 54 Cb 0.18 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.23 1wgq n LEU 54 CO 0.24 -0.50 0.00 0.61 -0.00 0.00 0.00 177.39 177.74 1wgq n GLY 55 N 5.63 2.05 3.11 -3.96 0.00 -1.26 -5.06 105.19 105.70 1wgq n GLY 55 Ca 0.32 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -3.89 -3.95 1.61 3.72 0.11 -3.97 117.46 111.09 1wgq n PHE 56 Ca 0.00 -0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 56.39 1wgq n PHE 56 Cb 0.00 -0.91 -0.05 0.00 -0.94 0.00 0.00 39.48 37.58 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 -3.09 0.01 0.02 4.37 2.01 0.49 -4.70 115.64 114.75 1wgq s THR 57 Ca 0.62 -1.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1wgq s THR 57 Cb -0.04 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.40 1wgq s THR 57 CO 0.45 -0.04 0.15 -0.69 -0.69 0.00 0.00 174.62 173.80 1wgq s VAL 58 N -3.99 0.10 -0.28 3.82 1.01 -1.26 -0.01 120.40 119.79 1wgq s VAL 58 Ca 0.19 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1wgq s VAL 58 Cb -0.01 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1wgq s VAL 58 CO 0.06 -0.48 0.73 0.28 0.00 0.00 0.00 175.10 175.70 1wgq s THR 59 N -2.11 -0.01 0.40 3.92 -1.32 -1.12 -4.91 115.64 110.49 1wgq s THR 59 Ca -0.09 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.13 1wgq s THR 59 Cb -0.04 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.86 1wgq s THR 59 CO -0.02 0.00 1.38 -0.22 -2.21 0.00 0.00 174.62 173.56 1wgq s LEU 60 N 1.62 4.24 0.07 9.08 1.98 -1.26 -2.46 118.68 131.94 1wgq s LEU 60 Ca -0.10 2.83 0.08 0.00 -2.89 0.00 0.00 54.13 54.06 1wgq s LEU 60 Cb -0.05 -3.82 -0.03 0.00 0.66 0.00 0.00 46.19 42.95 1wgq s LEU 60 CO -0.19 -0.91 -0.23 0.54 -1.89 0.00 0.00 176.35 173.67 1wgq s VAL 61 N -1.19 1.84 -0.01 1.68 0.11 -1.16 -4.91 120.40 116.76 1wgq s VAL 61 Ca 0.56 -1.41 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1wgq s VAL 61 Cb -0.42 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1wgq s VAL 61 CO 0.55 0.14 0.55 0.50 -3.33 0.00 0.00 175.10 173.50 1wgq h LYS 62 N 4.48 -0.16 -1.93 1.54 3.64 -1.86 -3.33 116.57 118.94 1wgq h LYS 62 Ca -0.45 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1wgq h LYS 62 Cb 1.16 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1wgq h LYS 62 CO 0.42 -0.11 -0.33 -3.47 -2.27 0.00 0.00 179.45 173.69 1wgq n ASP 63 N -2.82 -5.12 -0.05 4.20 2.03 -1.26 -3.91 116.55 109.62 1wgq n ASP 63 Ca -0.02 0.36 -0.06 0.00 0.52 0.00 0.00 54.79 55.59 1wgq n ASP 63 Cb 0.07 -2.62 -0.07 0.00 -0.72 0.00 0.00 41.12 37.77 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 -2.98 1.90 0.17 -0.67 2.13 -1.26 -4.73 120.64 115.19 1wgq n GLU 64 Ca 0.00 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.77 1wgq n GLU 64 Cb 0.39 -1.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.83 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1wgq h ASN 65 N 0.00 -0.36 -4.05 4.31 -0.73 -2.00 -3.46 115.58 109.28 1wgq h ASN 65 Ca -0.26 0.01 -0.34 0.00 1.87 0.00 0.00 56.30 57.58 1wgq h ASN 65 Cb 1.55 0.09 -0.16 0.00 0.27 0.00 0.00 38.32 40.08 1wgq h ASN 65 CO -0.00 -0.24 -0.72 -0.55 -0.37 0.00 0.00 177.43 175.54 1wgq s SER 66 N -2.81 1.76 0.05 1.15 0.15 -1.26 -5.15 113.70 107.60 1wgq s SER 66 Ca -0.06 -0.94 0.09 0.00 0.70 0.00 0.00 55.95 55.73 1wgq s SER 66 Cb 0.01 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1wgq s SER 66 CO 0.19 -0.29 -0.25 -1.61 1.20 0.00 0.00 173.24 172.48 1wgq s GLU 67 N -3.39 1.82 -0.35 5.44 2.02 -1.25 -4.31 118.70 118.67 1wgq s GLU 67 Ca 0.13 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1wgq s GLU 67 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1wgq s GLU 67 CO 0.01 0.51 0.00 0.43 0.02 0.00 0.00 175.26 176.23 1wgq n SER 68 N 1.65 -1.62 0.00 -0.19 7.64 -1.25 -4.58 113.62 115.26 1wgq n SER 68 Ca -0.17 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wgq n SER 68 Cb 0.52 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 -2.19 0.00 -4.06 1.43 4.81 -1.26 -4.65 118.16 112.24 1wgq n LYS 69 Ca -0.04 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.07 1wgq n LYS 69 Cb 0.41 -0.87 -0.07 0.00 0.02 0.00 0.00 35.03 34.53 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 -1.93 4.87 0.39 3.15 0.11 -1.26 -2.63 120.40 123.10 1wgq s VAL 70 Ca 0.00 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1wgq s VAL 70 Cb 0.00 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 1wgq s VAL 70 CO 0.00 0.35 0.14 0.72 -3.33 0.00 0.00 175.10 172.98 1wgq s PHE 71 N -1.22 1.77 0.08 1.54 -0.71 0.20 -2.98 117.98 116.67 1wgq s PHE 71 Ca 0.24 -1.32 0.07 0.00 -1.04 0.00 0.00 56.93 54.88 1wgq s PHE 71 Cb -0.12 -1.10 -0.03 0.00 -1.21 0.00 0.00 43.02 40.56 1wgq s PHE 71 CO 0.15 -0.36 -0.20 -0.65 -1.34 0.00 0.00 175.22 172.82 1wgq s GLN 72 N -3.69 1.15 -0.59 1.99 -0.21 -1.03 -0.29 119.66 116.99 1wgq s GLN 72 Ca 0.26 -1.05 -0.16 0.00 0.02 0.00 0.00 55.36 54.44 1wgq s GLN 72 Cb 0.03 -1.33 0.14 0.00 1.00 0.00 0.00 33.01 32.85 1wgq s GLN 72 CO 0.16 0.32 0.56 -1.17 -2.12 0.00 0.00 175.29 173.04 1wgq s LEU 73 N -1.63 6.24 0.32 2.90 2.96 0.30 -2.79 118.68 126.98 1wgq s LEU 73 Ca 0.05 -1.93 -0.21 0.00 -0.22 0.00 0.00 54.13 51.82 1wgq s LEU 73 Cb -0.09 -2.22 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 1wgq s LEU 73 CO 0.03 -0.82 0.84 -0.76 -1.32 0.00 0.00 176.35 174.32 1wgq s LEU 74 N 1.41 4.20 -0.31 -0.68 1.43 0.98 0.19 118.68 125.91 1wgq s LEU 74 Ca 0.06 1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.72 1wgq s LEU 74 Cb -0.26 -4.02 0.10 0.00 0.03 0.00 0.00 46.19 42.04 1wgq s LEU 74 CO 0.01 -0.13 0.13 -2.28 0.23 0.00 0.00 176.35 174.31 1wgq s HIS 75 N -1.78 0.95 0.00 0.29 2.46 0.46 0.18 115.29 117.85 1wgq s HIS 75 Ca 0.51 -1.33 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1wgq s HIS 75 Cb -0.14 -1.25 0.00 0.00 -0.13 0.00 0.00 32.58 31.05 1wgq s HIS 75 CO 0.19 -0.85 0.00 1.63 -2.47 0.00 0.00 174.74 173.25 1wgq n LYS 76 N 4.93 0.00 0.00 2.88 5.02 -1.25 -3.02 118.16 126.71 1wgq n LYS 76 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1wgq n LYS 76 Cb 0.41 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.00 1.42 3.86 0.72 0.00 -1.26 -5.11 105.19 102.82 1wgq n GLY 77 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.73 0.11 1.61 -1.94 -1.17 -4.98 119.30 116.67 1wgq s MET 78 Ca 0.00 0.16 -0.31 0.00 -1.71 0.00 0.00 55.69 53.83 1wgq s MET 78 Cb 0.00 -3.13 -0.08 0.00 2.01 0.00 0.00 34.83 33.63 1wgq s MET 78 CO 0.00 0.66 1.49 0.08 -0.01 0.00 0.00 175.02 177.24 1wgq s VAL 79 N -1.20 3.09 -0.20 -6.03 1.01 -1.26 0.17 120.40 115.98 1wgq s VAL 79 Ca 0.26 0.73 0.12 0.00 0.00 0.00 0.00 61.98 63.08 1wgq s VAL 79 Cb -0.14 -3.47 -0.21 0.00 0.00 0.00 0.00 36.38 32.56 1wgq s VAL 79 CO 0.14 0.04 -0.02 0.33 0.00 0.00 0.00 175.10 175.59 1wgq n PHE 80 N 4.35 0.00 -3.74 5.22 7.35 0.50 -4.84 117.46 126.31 1wgq n PHE 80 Ca 0.13 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.79 1wgq n PHE 80 Cb 0.41 -0.92 -0.01 0.00 0.35 0.00 0.00 39.48 39.31 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 -2.46 -0.13 0.05 -5.13 2.02 -1.09 -4.88 117.35 105.73 1wgq s TYR 81 Ca -0.16 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.46 1wgq s TYR 81 Cb 0.06 0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 42.22 1wgq s TYR 81 CO 0.69 -0.78 -0.23 0.08 -1.57 0.00 0.00 175.55 173.75 1wgq s VAL 82 N -3.21 2.41 -0.04 0.71 1.01 0.36 0.11 120.40 121.74 1wgq s VAL 82 Ca 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1wgq s VAL 82 Cb -0.01 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1wgq s VAL 82 CO 0.01 0.34 -0.01 -0.36 0.00 0.00 0.00 175.10 175.09 1wgq s PHE 83 N -0.87 0.49 -0.05 5.22 0.08 0.61 -1.48 117.98 121.99 1wgq s PHE 83 Ca 0.13 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.11 1wgq s PHE 83 Cb -0.10 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1wgq s PHE 83 CO 0.03 -0.19 -0.05 0.21 -0.10 0.00 0.00 175.22 175.12 1wgq s LYS 84 N 1.26 2.73 -0.01 0.44 2.20 -1.07 0.63 119.74 125.92 1wgq s LYS 84 Ca -0.06 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1wgq s LYS 84 Cb -0.13 -2.60 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1wgq s LYS 84 CO -0.02 0.65 -0.08 0.00 -0.36 0.00 0.00 175.35 175.54 1wgq s ALA 85 N -0.89 2.97 0.05 3.13 0.00 -1.08 -3.24 121.76 122.69 1wgq s ALA 85 Ca 0.14 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1wgq s ALA 85 Cb -0.11 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.80 1wgq s ALA 85 CO 0.04 0.60 1.29 -0.44 0.00 0.00 0.00 175.76 177.25 1wgq h ASP 86 N 4.74 -0.80 -1.96 0.00 5.19 -1.88 -3.44 116.42 118.26 1wgq h ASP 86 Ca -0.48 0.08 -0.46 0.00 -0.62 0.00 0.00 57.03 55.55 1wgq h ASP 86 Cb 1.17 0.29 0.06 0.00 0.18 0.00 0.00 39.33 41.02 1wgq h ASP 86 CO 0.53 -0.31 -0.01 -1.81 -3.12 0.00 0.00 179.24 174.52 1wgq s ASP 87 N -3.52 4.90 -0.13 6.45 1.01 -1.26 -5.04 116.67 119.07 1wgq s ASP 87 Ca -0.09 -0.34 -0.21 0.00 0.71 0.00 0.00 52.55 52.61 1wgq s ASP 87 Cb 0.03 -0.29 -0.25 0.00 1.01 0.00 0.00 42.92 43.41 1wgq s ASP 87 CO 0.32 -1.44 0.56 0.00 0.21 0.00 0.00 175.17 174.82 1wgq h ALA 88 N -0.10 0.12 -0.64 5.23 0.00 -1.85 -3.31 119.26 118.71 1wgq h ALA 88 Ca -0.37 -0.92 0.13 0.00 0.00 0.00 0.00 54.91 53.74 1wgq h ALA 88 Cb 1.28 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 1wgq h ALA 88 CO 0.45 0.53 -0.18 0.45 0.00 0.00 0.00 179.25 180.49 1wgq h HIS 89 N -0.67 -0.42 -0.47 0.00 3.86 -1.96 0.12 115.15 115.60 1wgq h HIS 89 Ca -0.22 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1wgq h HIS 89 Cb 1.43 0.28 -0.10 0.00 1.06 0.00 0.00 27.41 30.09 1wgq h HIS 89 CO 0.17 -0.29 -0.21 0.66 0.86 0.00 0.00 177.93 179.11 1wgq h SER 90 N -0.03 -0.73 -0.17 2.45 4.64 -1.96 -2.43 113.55 115.33 1wgq h SER 90 Ca 0.30 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.81 1wgq h SER 90 Cb 0.49 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1wgq h SER 90 CO -0.67 -0.24 -0.11 0.74 -0.87 0.00 0.00 176.83 175.69 1wgq h THR 91 N -0.11 0.00 -0.93 2.95 2.02 -0.85 0.38 112.91 116.37 1wgq h THR 91 Ca 0.22 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.50 1wgq h THR 91 Cb 0.45 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.74 1wgq h THR 91 CO -0.54 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 174.87 1wgq n GLN 92 N -3.38 -0.34 -0.06 6.66 1.13 -0.94 0.13 117.38 120.57 1wgq n GLN 92 Ca 0.00 1.41 -0.08 0.00 -1.94 0.00 0.00 57.00 56.39 1wgq n GLN 92 Cb 0.05 -2.08 -0.02 0.00 0.11 0.00 0.00 30.24 28.31 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 -0.23 0.00 -1.09 -0.00 -0.76 0.31 114.38 112.61 1wgq h ARG 93 Ca 0.21 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.73 1wgq h ARG 93 Cb 0.44 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.42 1wgq h ARG 93 CO -0.89 -0.15 -0.21 -1.49 0.00 0.00 0.00 179.97 177.23 1wgq h TRP 94 N -0.24 -0.56 -0.20 3.04 4.06 0.40 1.30 115.95 123.75 1wgq h TRP 94 Ca 0.14 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.14 1wgq h TRP 94 Cb 0.47 0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 28.82 1wgq h TRP 94 CO -0.41 -0.30 -0.36 0.82 -3.56 0.00 0.00 178.44 174.63 1wgq h ILE 95 N -0.34 0.00 -0.86 1.49 2.04 0.22 0.94 117.51 121.01 1wgq h ILE 95 Ca 0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1wgq h ILE 95 Cb 0.42 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.42 1wgq h ILE 95 CO -0.19 0.00 0.49 -0.78 0.00 0.00 0.00 178.15 177.67 1wgq h ASP 96 N -0.31 0.70 -0.31 1.72 1.82 -0.08 0.75 116.42 120.72 1wgq h ASP 96 Ca 0.04 0.05 0.06 0.00 -0.39 0.00 0.00 57.03 56.79 1wgq h ASP 96 Cb 0.41 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.28 1wgq h ASP 96 CO -0.35 0.39 -0.06 0.00 -1.61 0.00 0.00 179.24 177.61 1wgq h ALA 97 N 1.48 0.22 -0.02 -0.78 0.00 0.40 0.86 119.26 121.42 1wgq h ALA 97 Ca 0.42 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1wgq h ALA 97 Cb 0.41 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wgq h ALA 97 CO -0.26 -0.45 -0.01 0.74 0.00 0.00 0.00 179.25 179.27 1wgq h PHE 98 N 0.02 0.04 0.18 0.00 -1.00 0.23 -1.27 116.94 115.14 1wgq h PHE 98 Ca 0.15 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.93 1wgq h PHE 98 Cb 0.22 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1wgq h PHE 98 CO -0.28 0.46 -0.38 1.96 -1.61 0.00 0.00 178.31 178.47 1wgq h GLN 99 N -0.39 -0.62 -0.80 1.51 1.08 0.82 0.17 115.11 116.88 1wgq h GLN 99 Ca 0.00 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 1wgq h GLN 99 Cb 0.45 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 1wgq h GLN 99 CO 0.00 -0.42 0.52 0.93 -0.95 0.00 0.00 178.83 178.92 1wgq h GLU 100 N -0.65 0.72 0.54 1.46 5.08 0.68 0.32 114.58 122.73 1wgq h GLU 100 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1wgq h GLU 100 Cb 0.65 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wgq h GLU 100 CO -0.18 0.48 -0.26 0.78 -1.00 0.00 0.00 179.01 178.82 1wgq h GLY 101 N 0.74 -0.76 0.75 -3.84 0.00 0.02 -3.01 103.07 96.97 1wgq h GLY 101 Ca 0.37 0.28 0.05 0.00 0.00 0.00 0.00 47.33 48.03 1wgq h GLY 101 CO -0.14 -0.28 0.50 -0.91 0.00 0.00 0.00 176.54 175.71 1wgq h THR 102 N -0.83 1.05 -1.96 4.70 1.35 -0.20 -3.40 112.91 113.61 1wgq h THR 102 Ca -0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1wgq h THR 102 Cb 0.60 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1wgq h THR 102 CO 0.12 0.17 0.00 1.33 -0.25 0.00 0.00 175.52 176.89 1wgq n VAL 103 N -4.65 0.00 -3.42 6.82 0.24 0.05 -4.25 118.33 113.13 1wgq n VAL 103 Ca 0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.21 1wgq n VAL 103 Cb 0.16 -1.68 -0.10 0.00 -1.47 0.00 0.00 33.84 30.75 1wgq n VAL 103 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wgq s SER 104 N -1.00 1.94 0.00 -1.34 1.04 -1.25 -4.87 113.70 108.22 1wgq s SER 104 Ca 0.00 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1wgq s SER 104 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wgq s SER 104 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1wgq n GLY 105 N 4.91 0.73 3.62 7.32 0.00 -1.26 -4.95 105.19 115.55 1wgq n GLY 105 Ca 0.02 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 0.51 3.79 -0.01 1.61 0.04 -1.26 -4.99 135.00 134.69 1wgq s PRO 106 Ca 0.00 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1wgq s PRO 106 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1wgq s PRO 106 CO 0.00 -1.28 0.04 -1.54 0.04 0.00 0.00 177.00 174.26 1wgq s SER 107 N 3.30 -0.01 -0.42 6.66 1.04 -1.26 -4.96 113.70 118.04 1wgq s SER 107 Ca 0.59 0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 1wgq s SER 107 Cb -0.16 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1wgq s SER 107 CO 0.27 -0.06 0.57 -1.20 0.98 0.00 0.00 173.24 173.80 1wgq n SER 108 N 2.83 -7.42 0.00 7.02 7.64 -1.26 -5.27 113.62 117.17 1wgq n SER 108 Ca -0.14 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1wgq n SER 108 Cb 0.59 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64