#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq n SER 2 N 0.00 2.25 -4.29 1.61 2.88 -1.26 -4.94 113.62 109.88 1wgq n SER 2 Ca 0.00 1.08 -0.24 0.00 -1.33 0.00 0.00 58.87 58.37 1wgq n SER 2 Cb 0.00 -1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 62.22 1wgq n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wgq s SER 3 N 3.58 2.58 0.00 -3.46 1.04 -1.26 -5.08 113.70 111.10 1wgq s SER 3 Ca 1.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wgq s SER 3 Cb -1.12 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1wgq s SER 3 CO 0.68 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.59 1wgq n GLY 4 N 1.19 0.81 2.95 7.32 0.00 -1.26 -5.11 105.19 111.09 1wgq n GLY 4 Ca -0.19 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 -7.32 -3.61 1.61 7.64 -1.26 -5.04 113.62 105.64 1wgq n SER 5 Ca 0.00 0.93 -0.09 0.00 1.01 0.00 0.00 58.87 60.71 1wgq n SER 5 Cb 0.00 -3.47 -0.06 0.00 -1.01 0.00 0.00 64.21 59.66 1wgq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgq s SER 6 N -1.32 -0.38 0.00 6.43 1.04 -1.26 -5.14 113.70 113.07 1wgq s SER 6 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wgq s SER 6 Cb -0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wgq s SER 6 CO 0.40 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1wgq n GLY 7 N 1.51 0.59 3.69 7.32 0.00 -1.26 -4.95 105.19 112.10 1wgq n GLY 7 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.33 2.97 0.11 1.61 0.01 -1.26 -4.95 113.70 110.86 1wgq s SER 8 Ca 0.00 1.39 -0.34 0.00 1.31 0.00 0.00 55.95 58.31 1wgq s SER 8 Cb 0.00 -2.06 -0.13 0.00 0.21 0.00 0.00 66.02 64.04 1wgq s SER 8 CO 0.00 -2.94 1.56 0.74 0.41 0.00 0.00 173.24 173.01 1wgq h THR 9 N -1.76 0.04 -3.37 1.44 2.02 -1.93 -3.43 112.91 105.92 1wgq h THR 9 Ca -0.52 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.45 1wgq h THR 9 Cb 1.30 0.04 -0.28 0.00 -1.74 0.00 0.00 68.15 67.48 1wgq h THR 9 CO 0.55 0.00 -0.58 -0.32 0.37 0.00 0.00 175.52 175.55 1wgq s MET 10 N -5.81 0.14 -0.16 6.66 0.00 -1.26 -5.02 119.30 113.84 1wgq s MET 10 Ca -0.16 0.23 -0.30 0.00 0.00 0.00 0.00 55.69 55.46 1wgq s MET 10 Cb 0.07 0.01 0.12 0.00 0.00 0.00 0.00 34.83 35.03 1wgq s MET 10 CO 0.62 -0.06 0.98 -1.54 0.00 0.00 0.00 175.02 175.02 1wgq s SER 11 N 0.37 -0.39 0.00 1.11 1.04 -1.26 -2.37 113.70 112.20 1wgq s SER 11 Ca -0.02 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1wgq s SER 11 Cb -0.04 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1wgq s SER 11 CO -0.01 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1wgq n GLY 12 N 0.85 4.29 3.47 7.32 0.00 -1.23 -5.05 105.19 114.84 1wgq n GLY 12 Ca -0.11 -0.52 -0.53 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.11 0.28 -4.42 1.61 4.01 -1.26 -4.36 117.16 111.92 1wgq n TYR 13 Ca 0.00 0.96 -0.21 0.00 -0.16 0.00 0.00 57.90 58.49 1wgq n TYR 13 Cb 0.00 -2.07 -0.10 0.00 -0.31 0.00 0.00 39.34 36.86 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 1.34 1.93 -0.36 7.72 1.43 0.49 -4.56 118.68 126.67 1wgq s LEU 14 Ca 0.77 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1wgq s LEU 14 Cb -1.06 -0.14 0.10 0.00 0.03 0.00 0.00 46.19 45.12 1wgq s LEU 14 CO 0.56 -0.75 0.10 -0.31 0.23 0.00 0.00 176.35 176.18 1wgq s TYR 15 N -3.44 3.63 -0.18 0.29 2.02 -1.08 -1.98 117.35 116.61 1wgq s TYR 15 Ca 0.34 -2.65 -0.18 0.00 -0.37 0.00 0.00 57.07 54.21 1wgq s TYR 15 Cb 0.07 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.66 1wgq s TYR 15 CO 0.15 -0.94 0.50 0.50 -1.57 0.00 0.00 175.55 174.19 1wgq s ARG 16 N 1.03 4.22 0.23 -0.62 3.52 -0.19 -2.61 118.95 124.52 1wgq s ARG 16 Ca 0.08 0.41 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 1wgq s ARG 16 Cb -0.21 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1wgq s ARG 16 CO -0.06 -0.08 0.02 0.45 -0.81 0.00 0.00 175.30 174.82 1wgq s SER 17 N 1.04 1.56 -0.32 -2.12 0.15 -0.43 0.18 113.70 113.76 1wgq s SER 17 Ca 0.24 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.73 1wgq s SER 17 Cb -0.15 0.07 0.58 0.00 -1.71 0.00 0.00 66.02 64.80 1wgq s SER 17 CO 0.10 -0.58 1.61 0.29 1.20 0.00 0.00 173.24 175.86 1wgq n LYS 18 N -0.39 2.25 -2.04 5.44 4.76 -1.26 -0.75 118.16 126.18 1wgq n LYS 18 Ca -0.04 -3.10 0.00 0.00 -2.87 0.00 0.00 58.31 52.30 1wgq n LYS 18 Cb 0.64 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.97 -0.34 0.11 0.72 0.00 -1.26 -4.81 105.19 98.64 1wgq n GLY 19 Ca 0.40 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 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 0.31 -0.26 1.61 0.02 -2.01 -3.28 113.55 109.94 1wgq h SER 20 Ca 0.00 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1wgq h SER 20 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1wgq h SER 20 CO 0.00 1.45 0.00 0.29 -1.14 0.00 0.00 176.83 177.43 1wgq n LYS 21 N -4.14 2.39 -3.99 3.45 5.02 -1.26 -4.86 118.16 114.78 1wgq n LYS 21 Ca -0.20 -1.26 -0.25 0.00 -2.02 0.00 0.00 58.31 54.57 1wgq n LYS 21 Cb 0.79 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.70 3.29 0.10 1.97 -0.14 -1.24 -5.08 119.74 116.95 1wgq s LYS 22 Ca 0.22 -0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 1wgq s LYS 22 Cb 0.16 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 1wgq s LYS 22 CO 0.09 0.49 1.15 -1.25 -0.76 0.00 0.00 175.35 175.07 1wgq s PRO 23 N -3.33 4.50 0.68 -1.68 0.04 -1.26 -4.78 135.00 129.16 1wgq s PRO 23 Ca 0.34 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1wgq s PRO 23 Cb -0.10 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1wgq s PRO 23 CO 0.27 -0.13 1.07 -1.58 0.04 0.00 0.00 177.00 176.68 1wgq s TRP 24 N 0.58 2.92 -0.23 0.56 0.52 -1.26 -4.39 118.94 117.64 1wgq s TRP 24 Ca 0.55 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 58.15 1wgq s TRP 24 Cb -0.29 -2.98 0.07 0.00 -1.15 0.00 0.00 33.47 29.12 1wgq s TRP 24 CO 0.31 -1.36 0.01 0.15 0.02 0.00 0.00 176.95 176.08 1wgq s LYS 25 N -4.67 1.11 -0.38 4.98 1.02 0.47 -4.88 119.74 117.39 1wgq s LYS 25 Ca 0.61 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 1wgq s LYS 25 Cb -0.16 -2.34 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1wgq s LYS 25 CO 0.49 -0.69 1.59 -1.58 -0.92 0.00 0.00 175.35 174.24 1wgq s HIS 26 N 1.59 2.13 0.21 3.18 5.65 -1.26 -1.02 115.29 125.76 1wgq s HIS 26 Ca -0.01 0.64 -0.02 0.00 0.25 0.00 0.00 55.06 55.93 1wgq s HIS 26 Cb -0.18 -4.23 -0.04 0.00 -1.18 0.00 0.00 32.58 26.95 1wgq s HIS 26 CO -0.10 -2.42 0.16 -0.51 -0.65 0.00 0.00 174.74 171.23 1wgq s LEU 27 N 6.11 1.11 -0.06 8.88 1.43 -0.84 -4.97 118.68 130.34 1wgq s LEU 27 Ca 0.69 -1.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1wgq s LEU 27 Cb -0.17 0.50 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1wgq s LEU 27 CO 0.33 -0.87 -0.07 0.86 0.23 0.00 0.00 176.35 176.83 1wgq s TRP 28 N -4.12 2.93 0.02 0.29 -0.11 -0.71 -0.38 118.94 116.86 1wgq s TRP 28 Ca 0.38 0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.71 1wgq s TRP 28 Cb 0.06 -1.70 -0.02 0.00 -1.50 0.00 0.00 33.47 30.31 1wgq s TRP 28 CO 0.12 0.33 -0.03 -0.06 -4.62 0.00 0.00 176.95 172.69 1wgq s PHE 29 N -0.82 0.30 0.10 5.86 0.40 -1.26 0.14 117.98 122.70 1wgq s PHE 29 Ca 0.13 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1wgq s PHE 29 Cb -0.11 -0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 1wgq s PHE 29 CO 0.02 -0.19 -0.07 0.08 0.70 0.00 0.00 175.22 175.76 1wgq s VAL 30 N -1.57 0.75 -0.42 -0.44 1.01 -1.05 -3.51 120.40 115.17 1wgq s VAL 30 Ca -0.14 -1.93 0.04 0.00 0.00 0.00 0.00 61.98 59.94 1wgq s VAL 30 Cb -0.09 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.72 1wgq s VAL 30 CO -0.01 -0.85 0.14 -0.63 0.00 0.00 0.00 175.10 173.75 1wgq s ILE 31 N -3.54 2.35 -0.05 2.22 1.01 -1.00 -1.73 121.20 120.46 1wgq s ILE 31 Ca 0.12 -2.73 0.04 0.00 0.00 0.00 0.00 60.65 58.08 1wgq s ILE 31 Cb 0.05 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 1wgq s ILE 31 CO -0.04 -0.69 -0.17 -0.75 0.00 0.00 0.00 174.94 173.29 1wgq s LYS 32 N 0.41 1.82 -2.01 2.79 2.20 -0.80 -4.35 119.74 119.80 1wgq s LYS 32 Ca 0.14 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1wgq s LYS 32 Cb -0.22 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1wgq s LYS 32 CO -0.05 0.21 0.00 -1.71 -0.36 0.00 0.00 175.35 173.45 1wgq n ASN 33 N 3.24 -5.72 -0.92 1.43 2.85 -1.26 0.24 115.26 115.12 1wgq n ASN 33 Ca -0.19 0.26 -0.11 0.00 -0.11 0.00 0.00 54.58 54.43 1wgq n ASN 33 Cb 0.53 -4.90 -0.04 0.00 1.24 0.00 0.00 39.78 36.60 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 -2.69 -0.80 -4.62 1.20 5.02 -1.26 -4.96 118.16 110.05 1wgq n LYS 34 Ca -0.23 0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 56.58 1wgq n LYS 34 Cb 0.69 -4.85 -0.12 0.00 -0.02 0.00 0.00 35.03 30.73 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 -2.44 3.64 -0.88 -0.18 1.01 0.14 -2.48 120.40 119.20 1wgq s VAL 35 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1wgq s VAL 35 Cb 0.00 -2.51 0.14 0.00 0.00 0.00 0.00 36.38 34.01 1wgq s VAL 35 CO 0.00 0.57 1.04 -0.22 0.00 0.00 0.00 175.10 176.49 1wgq s LEU 36 N -0.49 5.33 0.51 3.92 1.98 0.22 -1.90 118.68 128.25 1wgq s LEU 36 Ca 0.07 -2.07 -0.17 0.00 -2.89 0.00 0.00 54.13 49.07 1wgq s LEU 36 Cb -0.12 -2.36 -0.08 0.00 0.66 0.00 0.00 46.19 44.29 1wgq s LEU 36 CO 0.02 -1.00 0.98 -0.31 -1.89 0.00 0.00 176.35 174.15 1wgq s TYR 37 N 2.32 3.42 0.13 5.38 2.02 -0.71 -2.75 117.35 127.16 1wgq s TYR 37 Ca 0.29 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.52 1wgq s TYR 37 Cb -0.07 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 1wgq s TYR 37 CO -0.08 -0.36 0.11 0.99 -1.57 0.00 0.00 175.55 174.65 1wgq s THR 38 N -2.56 4.50 0.37 -0.71 2.01 0.40 -2.52 115.64 117.13 1wgq s THR 38 Ca 0.59 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 1wgq s THR 38 Cb -0.10 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1wgq s THR 38 CO 0.29 -0.01 0.67 -0.31 -0.69 0.00 0.00 174.62 174.57 1wgq s TYR 39 N -1.59 0.48 0.00 4.92 2.02 0.36 -0.88 117.35 122.67 1wgq s TYR 39 Ca 0.30 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1wgq s TYR 39 Cb -0.11 0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.93 1wgq s TYR 39 CO 0.23 -1.41 0.00 0.00 -1.57 0.00 0.00 175.55 172.80 1wgq n ALA 40 N -0.55 2.59 -2.52 3.71 0.00 -1.26 -1.74 120.51 120.74 1wgq n ALA 40 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1wgq n ALA 40 Cb 0.60 0.36 -0.07 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 -1.89 3.44 0.11 0.00 0.00 -1.26 -4.27 121.76 117.88 1wgq s ALA 41 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 1wgq s ALA 41 Cb 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 1wgq s ALA 41 CO 0.00 0.04 1.62 1.03 0.00 0.00 0.00 175.76 178.45 1wgq h SER 42 N 1.60 -0.86 -2.27 0.00 0.87 -1.99 -3.12 113.55 107.76 1wgq h SER 42 Ca -0.43 0.09 -0.66 0.00 -1.23 0.00 0.00 61.79 59.56 1wgq h SER 42 Cb 1.25 0.32 -0.37 0.00 -0.44 0.00 0.00 62.40 63.15 1wgq h SER 42 CO 0.64 -0.41 -0.13 -0.62 -0.53 0.00 0.00 176.83 175.79 1wgq n GLU 43 N -5.41 3.92 -1.97 2.24 1.02 -1.26 -5.06 120.64 114.12 1wgq n GLU 43 Ca -0.07 -4.81 -0.38 0.00 -0.02 0.00 0.00 57.16 51.88 1wgq n GLU 43 Cb 0.32 -2.31 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 1wgq n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wgq s ASP 44 N -2.82 5.56 0.46 1.62 -1.08 -1.18 -4.85 116.67 114.38 1wgq s ASP 44 Ca 0.46 2.57 0.26 0.00 -0.52 0.00 0.00 52.55 55.32 1wgq s ASP 44 Cb 0.25 -2.62 1.31 0.00 -1.46 0.00 0.00 42.92 40.40 1wgq s ASP 44 CO -0.14 -1.35 1.79 -0.37 0.52 0.00 0.00 175.17 175.62 1wgq h VAL 45 N 1.53 0.48 -2.66 1.11 -1.51 -1.97 -3.44 116.25 109.79 1wgq h VAL 45 Ca -0.50 -0.07 0.11 0.00 -1.23 0.00 0.00 66.70 65.01 1wgq h VAL 45 Cb 1.28 0.25 -0.03 0.00 -2.13 0.00 0.00 31.29 30.67 1wgq h VAL 45 CO 0.58 0.04 0.49 0.00 -1.23 0.00 0.00 177.57 177.44 1wgq s ALA 46 N -5.24 -1.35 0.23 5.19 0.00 -1.26 -5.15 121.76 114.17 1wgq s ALA 46 Ca -0.07 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1wgq s ALA 46 Cb 0.24 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1wgq s ALA 46 CO 0.80 -1.04 0.81 0.00 0.00 0.00 0.00 175.76 176.32 1wgq s ALA 47 N -2.30 3.37 0.14 0.00 0.00 -1.26 -4.80 121.76 116.91 1wgq s ALA 47 Ca 0.19 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1wgq s ALA 47 Cb -0.03 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1wgq s ALA 47 CO 0.07 0.27 1.42 -0.07 0.00 0.00 0.00 175.76 177.45 1wgq h LEU 48 N 3.70 0.85 -8.25 0.00 3.38 -1.34 -3.47 115.31 110.19 1wgq h LEU 48 Ca -0.47 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 56.96 1wgq h LEU 48 Cb 1.20 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 1wgq h LEU 48 CO 0.66 1.25 -0.12 -1.61 0.09 0.00 0.00 178.44 178.71 1wgq s GLU 49 N -4.00 1.57 -0.00 1.13 0.41 -1.25 -4.99 118.70 111.57 1wgq s GLU 49 Ca -0.09 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.22 1wgq s GLU 49 Cb 0.10 0.47 -0.01 0.00 -1.78 0.00 0.00 34.13 32.92 1wgq s GLU 49 CO 0.88 -0.65 -0.07 -1.54 -0.49 0.00 0.00 175.26 173.39 1wgq s SER 50 N -3.03 0.81 -0.26 -0.19 1.04 -1.26 -0.46 113.70 110.36 1wgq s SER 50 Ca 0.23 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.46 1wgq s SER 50 Cb -0.01 -0.08 0.14 0.00 0.10 0.00 0.00 66.02 66.17 1wgq s SER 50 CO 0.09 0.07 0.51 -1.58 0.98 0.00 0.00 173.24 173.32 1wgq s GLN 51 N -0.24 0.46 0.46 4.02 2.00 -1.11 -4.99 119.66 120.26 1wgq s GLN 51 Ca 0.02 1.00 -0.21 0.00 -2.00 0.00 0.00 55.36 54.16 1wgq s GLN 51 Cb -0.03 0.31 -0.09 0.00 0.80 0.00 0.00 33.01 34.01 1wgq s GLN 51 CO -0.00 -0.44 1.04 -1.25 -0.50 0.00 0.00 175.29 174.14 1wgq s PRO 52 N 2.73 3.92 -0.37 1.67 0.04 -1.26 0.73 135.00 142.45 1wgq s PRO 52 Ca 0.07 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1wgq s PRO 52 Cb -0.14 -2.24 0.26 0.00 0.04 0.00 0.00 34.50 32.42 1wgq s PRO 52 CO -0.17 -0.34 1.99 1.28 0.04 0.00 0.00 177.00 179.80 1wgq n LEU 53 N -0.68 6.59 -4.49 -3.56 4.77 -1.04 -4.78 117.00 113.81 1wgq n LEU 53 Ca 0.08 -3.42 -0.43 0.00 -0.03 0.00 0.00 56.01 52.21 1wgq n LEU 53 Cb 0.52 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1wgq n LEU 53 CO 0.41 1.24 0.69 -0.22 -1.33 0.00 0.00 177.39 178.18 1wgq s LEU 54 N -2.13 4.30 0.00 2.23 1.98 -1.26 -3.72 118.68 120.08 1wgq s LEU 54 Ca 0.36 -0.59 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 1wgq s LEU 54 Cb 0.28 -2.67 0.00 0.00 0.66 0.00 0.00 46.19 44.46 1wgq s LEU 54 CO -0.00 -1.23 0.00 0.61 -1.89 0.00 0.00 176.35 173.84 1wgq n GLY 55 N 5.18 3.09 3.24 7.98 0.00 -1.26 -5.05 105.19 118.37 1wgq n GLY 55 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.37 -2.49 -3.92 1.61 3.01 -1.24 -4.01 117.46 110.04 1wgq n PHE 56 Ca 0.00 -0.32 -0.08 0.00 1.01 0.00 0.00 57.45 58.06 1wgq n PHE 56 Cb 0.00 -1.47 -0.04 0.00 -0.01 0.00 0.00 39.48 37.96 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 -2.19 0.00 0.03 4.37 2.01 0.44 -4.77 115.64 115.54 1wgq s THR 57 Ca 0.59 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1wgq s THR 57 Cb -0.14 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1wgq s THR 57 CO 0.55 -0.02 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.77 1wgq s VAL 58 N -3.97 0.15 -0.29 3.82 1.01 -1.26 0.10 120.40 119.96 1wgq s VAL 58 Ca 0.17 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1wgq s VAL 58 Cb -0.02 -0.81 0.11 0.00 0.00 0.00 0.00 36.38 35.66 1wgq s VAL 58 CO 0.07 -0.69 0.72 0.28 0.00 0.00 0.00 175.10 175.48 1wgq s THR 59 N -2.50 -0.48 0.41 3.92 -1.32 -1.16 -4.92 115.64 109.58 1wgq s THR 59 Ca -0.06 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 1wgq s THR 59 Cb -0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 1wgq s THR 59 CO -0.05 0.00 1.41 -0.22 -2.21 0.00 0.00 174.62 173.55 1wgq s LEU 60 N 2.24 4.21 -0.06 9.08 1.98 -1.26 -2.77 118.68 132.10 1wgq s LEU 60 Ca -0.08 2.89 0.04 0.00 -2.89 0.00 0.00 54.13 54.09 1wgq s LEU 60 Cb -0.08 -3.83 -0.00 0.00 0.66 0.00 0.00 46.19 42.93 1wgq s LEU 60 CO -0.19 -0.98 -0.19 0.54 -1.89 0.00 0.00 176.35 173.64 1wgq s VAL 61 N -1.19 1.65 -0.29 1.68 0.11 -0.99 -4.94 120.40 116.43 1wgq s VAL 61 Ca 0.57 -0.82 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 1wgq s VAL 61 Cb -0.43 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1wgq s VAL 61 CO 0.56 0.47 0.16 -0.75 -3.33 0.00 0.00 175.10 172.21 1wgq s LYS 62 N 0.14 3.71 0.39 1.54 2.20 -1.26 -3.95 119.74 122.51 1wgq s LYS 62 Ca -0.08 -0.47 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 1wgq s LYS 62 Cb -0.14 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1wgq s LYS 62 CO 0.04 -0.26 0.29 0.34 -0.36 0.00 0.00 175.35 175.40 1wgq s ASP 63 N 1.69 4.89 0.37 1.43 2.15 0.27 -5.01 116.67 122.47 1wgq s ASP 63 Ca 0.06 -0.79 0.15 0.00 0.43 0.00 0.00 52.55 52.40 1wgq s ASP 63 Cb -0.16 -0.63 0.74 0.00 -0.30 0.00 0.00 42.92 42.56 1wgq s ASP 63 CO 0.08 -0.53 1.81 1.05 -0.17 0.00 0.00 175.17 177.41 1wgq h GLU 64 N 1.23 0.00 0.00 4.34 -0.00 -2.04 -3.34 114.58 114.77 1wgq h GLU 64 Ca -0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.87 1wgq h GLU 64 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 1wgq h GLU 64 CO 0.61 0.38 -1.19 -1.71 -0.00 0.00 0.00 179.01 177.10 1wgq n ASN 65 N -3.93 1.91 -4.77 3.06 2.85 -1.26 -4.96 115.26 108.17 1wgq n ASN 65 Ca -0.02 0.32 -0.38 0.00 -0.11 0.00 0.00 54.58 54.40 1wgq n ASN 65 Cb 0.43 -0.74 -0.06 0.00 1.24 0.00 0.00 39.78 40.66 1wgq n ASN 65 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1wgq s SER 66 N -6.14 6.77 -0.05 1.20 1.04 -1.25 -5.07 113.70 110.20 1wgq s SER 66 Ca -0.29 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1wgq s SER 66 Cb 0.05 -2.29 0.02 0.00 0.10 0.00 0.00 66.02 63.91 1wgq s SER 66 CO 0.42 0.13 -0.05 -1.83 0.98 0.00 0.00 173.24 172.89 1wgq s GLU 67 N -0.11 0.94 -0.57 4.02 -1.05 -1.26 0.95 118.70 121.62 1wgq s GLU 67 Ca 0.26 -0.14 -0.06 0.00 -0.15 0.00 0.00 54.97 54.88 1wgq s GLU 67 Cb -0.16 -0.91 0.05 0.00 -0.44 0.00 0.00 34.13 32.67 1wgq s GLU 67 CO 0.12 -0.07 0.16 0.45 0.95 0.00 0.00 175.26 176.87 1wgq n SER 68 N 4.04 -1.63 0.00 0.83 2.88 -1.25 -4.64 113.62 113.84 1wgq n SER 68 Ca -0.24 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1wgq n SER 68 Cb 0.51 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1wgq n SER 68 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1wgq n LYS 69 N -2.94 0.89 -3.71 -1.46 2.85 -1.26 -4.67 118.16 107.87 1wgq n LYS 69 Ca 0.01 -0.77 -0.12 0.00 -1.05 0.00 0.00 58.31 56.39 1wgq n LYS 69 Cb 0.50 -0.73 -0.10 0.00 -0.65 0.00 0.00 35.03 34.05 1wgq n LYS 69 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wgq s VAL 70 N -0.34 -0.01 0.42 0.58 0.11 -1.26 -2.93 120.40 116.96 1wgq s VAL 70 Ca 0.00 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1wgq s VAL 70 Cb 0.00 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1wgq s VAL 70 CO 0.00 0.02 0.06 0.72 -3.33 0.00 0.00 175.10 172.57 1wgq s PHE 71 N 0.87 1.94 0.12 1.54 -0.71 0.24 -2.34 117.98 119.64 1wgq s PHE 71 Ca -0.05 -1.04 0.07 0.00 -1.04 0.00 0.00 56.93 54.87 1wgq s PHE 71 Cb -0.06 -1.40 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1wgq s PHE 71 CO -0.07 0.02 -0.18 -0.65 -1.34 0.00 0.00 175.22 173.01 1wgq s GLN 72 N -3.80 1.09 -0.59 1.99 -0.21 -1.12 0.58 119.66 117.61 1wgq s GLN 72 Ca 0.23 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 1wgq s GLN 72 Cb 0.05 -1.18 0.15 0.00 1.00 0.00 0.00 33.01 33.03 1wgq s GLN 72 CO 0.12 0.25 0.50 -1.17 -2.12 0.00 0.00 175.29 172.87 1wgq s LEU 73 N -2.20 6.04 0.39 2.90 2.96 0.35 -2.99 118.68 126.12 1wgq s LEU 73 Ca 0.08 -2.15 -0.23 0.00 -0.22 0.00 0.00 54.13 51.60 1wgq s LEU 73 Cb -0.08 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 1wgq s LEU 73 CO 0.04 -0.68 0.97 -0.76 -1.32 0.00 0.00 176.35 174.60 1wgq s LEU 74 N 1.01 4.12 -0.30 -0.68 1.43 0.28 0.11 118.68 124.66 1wgq s LEU 74 Ca 0.09 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 1wgq s LEU 74 Cb -0.23 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 41.81 1wgq s LEU 74 CO -0.02 -0.29 0.12 -2.28 0.23 0.00 0.00 176.35 174.11 1wgq s HIS 75 N -1.86 0.83 0.00 0.29 2.46 0.52 0.17 115.29 117.70 1wgq s HIS 75 Ca 0.57 -1.21 0.00 0.00 0.47 0.00 0.00 55.06 54.89 1wgq s HIS 75 Cb -0.15 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.10 1wgq s HIS 75 CO 0.20 -0.85 0.00 1.63 -2.47 0.00 0.00 174.74 173.25 1wgq n LYS 76 N 5.07 -0.09 0.00 2.88 5.02 -1.26 -2.75 118.16 127.03 1wgq n LYS 76 Ca -0.04 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1wgq n LYS 76 Cb 0.42 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 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 -2.27 0.92 3.82 0.72 0.00 -1.26 -5.10 105.19 102.03 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 -0.29 0.00 0.00 0.00 173.32 173.03 1wgq s MET 78 N 0.00 4.15 0.18 1.61 0.00 -1.11 -4.97 119.30 119.17 1wgq s MET 78 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 55.69 56.09 1wgq s MET 78 Cb 0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 34.83 31.68 1wgq s MET 78 CO 0.00 0.53 1.29 0.08 0.00 0.00 0.00 175.02 176.92 1wgq s VAL 79 N -1.31 3.32 -0.25 10.11 1.01 -1.26 0.20 120.40 132.20 1wgq s VAL 79 Ca 0.35 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 1wgq s VAL 79 Cb -0.18 -3.68 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 1wgq s VAL 79 CO 0.20 0.15 -0.21 0.33 0.00 0.00 0.00 175.10 175.57 1wgq n PHE 80 N 2.75 0.10 -3.50 5.22 7.35 0.30 -4.83 117.46 124.84 1wgq n PHE 80 Ca 0.06 0.02 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 1wgq n PHE 80 Cb 0.43 -1.01 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.52 -0.37 -0.32 -5.13 2.02 -1.22 -4.95 117.35 104.86 1wgq s TYR 81 Ca -0.35 0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1wgq s TYR 81 Cb 0.10 0.55 0.01 0.00 -0.40 0.00 0.00 41.96 42.21 1wgq s TYR 81 CO 0.59 -0.60 0.14 0.08 -1.57 0.00 0.00 175.55 174.19 1wgq s VAL 82 N -3.23 4.41 -0.15 0.71 1.01 0.07 -0.50 120.40 122.72 1wgq s VAL 82 Ca 0.05 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1wgq s VAL 82 Cb -0.01 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1wgq s VAL 82 CO -0.09 -0.00 0.03 -0.36 0.00 0.00 0.00 175.10 174.68 1wgq s PHE 83 N 1.56 3.21 -0.11 5.22 0.08 0.20 -1.32 117.98 126.82 1wgq s PHE 83 Ca 0.03 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.14 1wgq s PHE 83 Cb -0.18 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1wgq s PHE 83 CO 0.05 0.21 -0.11 0.21 -0.10 0.00 0.00 175.22 175.48 1wgq s LYS 84 N 0.05 1.81 0.34 0.44 2.20 -1.07 0.83 119.74 124.33 1wgq s LYS 84 Ca 0.04 -0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 55.09 1wgq s LYS 84 Cb -0.12 -1.67 -0.09 0.00 -1.51 0.00 0.00 37.83 34.43 1wgq s LYS 84 CO 0.01 -0.15 0.78 0.00 -0.36 0.00 0.00 175.35 175.63 1wgq s ALA 85 N 1.28 3.27 0.03 3.13 0.00 -1.15 -2.63 121.76 125.70 1wgq s ALA 85 Ca -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1wgq s ALA 85 Cb -0.14 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1wgq s ALA 85 CO -0.04 0.29 1.11 -0.44 0.00 0.00 0.00 175.76 176.68 1wgq h ASP 86 N 2.28 -0.44 -0.92 0.00 3.32 -1.88 -3.42 116.42 115.36 1wgq h ASP 86 Ca -0.48 0.07 -0.49 0.00 0.02 0.00 0.00 57.03 56.14 1wgq h ASP 86 Cb 1.18 0.19 0.04 0.00 0.22 0.00 0.00 39.33 40.96 1wgq h ASP 86 CO 0.65 -0.05 -0.04 -1.81 -1.72 0.00 0.00 179.24 176.27 1wgq s ASP 87 N -3.48 4.87 -0.07 6.45 1.11 -1.26 -5.04 116.67 119.25 1wgq s ASP 87 Ca -0.02 -0.83 -0.15 0.00 0.18 0.00 0.00 52.55 51.72 1wgq s ASP 87 Cb 0.02 0.39 -0.29 0.00 1.07 0.00 0.00 42.92 44.11 1wgq s ASP 87 CO 0.13 -1.53 0.66 0.00 1.18 0.00 0.00 175.17 175.61 1wgq h ALA 88 N -0.02 0.11 -0.71 5.23 0.00 -1.85 -3.19 119.26 118.83 1wgq h ALA 88 Ca -0.29 -1.05 0.18 0.00 0.00 0.00 0.00 54.91 53.75 1wgq h ALA 88 Cb 1.28 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1wgq h ALA 88 CO 0.40 0.83 0.50 0.45 0.00 0.00 0.00 179.25 181.42 1wgq h HIS 89 N -0.14 0.17 -0.15 0.00 3.86 -1.96 0.16 115.15 117.09 1wgq h HIS 89 Ca -0.30 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 58.76 1wgq h HIS 89 Cb 1.89 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 30.31 1wgq h HIS 89 CO 0.13 0.06 -0.54 0.77 0.86 0.00 0.00 177.93 179.21 1wgq h SER 90 N 0.14 0.73 -0.46 2.45 0.02 -1.95 -3.30 113.55 111.18 1wgq h SER 90 Ca 0.34 -0.61 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1wgq h SER 90 Cb 1.16 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1wgq h SER 90 CO -0.05 1.21 -0.48 0.74 -1.14 0.00 0.00 176.83 177.12 1wgq h THR 91 N 0.28 0.00 -0.96 -2.27 2.02 -0.67 0.12 112.91 111.44 1wgq h THR 91 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1wgq h THR 91 Cb 1.17 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 1wgq h THR 91 CO 0.11 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 175.44 1wgq n GLN 92 N -4.94 -0.42 -0.00 6.66 1.13 -1.12 0.13 117.38 118.82 1wgq n GLN 92 Ca -0.02 1.48 -0.14 0.00 -1.94 0.00 0.00 57.00 56.38 1wgq n GLN 92 Cb 0.27 -2.18 -0.09 0.00 0.11 0.00 0.00 30.24 28.36 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 -0.51 -0.37 -1.09 -0.00 -1.33 0.23 114.38 111.31 1wgq h ARG 93 Ca 0.15 0.04 0.07 0.00 -0.50 0.00 0.00 59.98 59.74 1wgq h ARG 93 Cb 0.39 0.12 -0.09 0.00 0.00 0.00 0.00 29.97 30.39 1wgq h ARG 93 CO -0.90 -0.34 -0.37 -1.49 0.00 0.00 0.00 179.97 176.87 1wgq h TRP 94 N -0.53 -1.04 -0.32 3.04 4.06 0.87 1.43 115.95 123.46 1wgq h TRP 94 Ca 0.03 0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1wgq h TRP 94 Cb 0.62 0.51 -0.05 0.00 -1.00 0.00 0.00 29.16 29.24 1wgq h TRP 94 CO -0.57 -0.41 -0.30 0.82 -3.56 0.00 0.00 178.44 174.42 1wgq h ILE 95 N -0.30 0.00 -0.75 1.49 2.04 0.21 0.30 117.51 120.49 1wgq h ILE 95 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1wgq h ILE 95 Cb 0.56 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1wgq h ILE 95 CO -0.53 0.00 0.38 -0.78 0.00 0.00 0.00 178.15 177.22 1wgq h ASP 96 N -0.14 0.49 -1.03 1.72 3.58 0.40 0.41 116.42 121.86 1wgq h ASP 96 Ca 0.05 0.07 0.26 0.00 0.42 0.00 0.00 57.03 57.83 1wgq h ASP 96 Cb 0.28 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.23 1wgq h ASP 96 CO -0.38 0.26 0.67 0.00 -2.88 0.00 0.00 179.24 176.92 1wgq h ALA 97 N 1.46 2.30 0.15 -0.78 0.00 0.52 1.45 119.26 124.37 1wgq h ALA 97 Ca 0.38 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1wgq h ALA 97 Cb 0.43 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wgq h ALA 97 CO -0.29 -0.68 -1.50 0.74 0.00 0.00 0.00 179.25 177.52 1wgq h PHE 98 N 0.36 0.58 0.03 0.00 0.04 0.28 -2.99 116.94 115.24 1wgq h PHE 98 Ca 0.57 -0.42 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1wgq h PHE 98 Cb 1.52 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.64 1wgq h PHE 98 CO -0.00 1.59 -0.01 1.96 -0.60 0.00 0.00 178.31 181.24 1wgq h GLN 99 N -0.14 -0.04 0.00 1.51 1.08 0.17 -1.26 115.11 116.43 1wgq h GLN 99 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1wgq h GLN 99 Cb 1.90 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1wgq h GLN 99 CO 0.12 0.08 0.00 0.39 -0.95 0.00 0.00 178.83 178.47 1wgq n GLU 100 N -5.06 0.02 -0.06 1.46 -0.58 0.48 -2.29 120.64 114.62 1wgq n GLU 100 Ca -0.08 0.27 -0.04 0.00 -0.42 0.00 0.00 57.16 56.89 1wgq n GLU 100 Cb 0.09 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 1wgq n GLU 100 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1wgq h GLY 101 N 2.52 0.00 1.12 0.62 0.00 -1.11 -3.36 103.07 102.86 1wgq h GLY 101 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1wgq h GLY 101 CO 0.00 0.00 0.59 -0.91 0.00 0.00 0.00 176.54 176.22 1wgq h THR 102 N -1.00 1.23 -1.73 4.70 1.35 -1.24 -3.43 112.91 112.79 1wgq h THR 102 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1wgq h THR 102 Cb 0.31 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1wgq h THR 102 CO -0.00 0.23 0.00 1.33 -0.25 0.00 0.00 175.52 176.82 1wgq n VAL 103 N -4.39 0.00 -1.96 6.82 0.24 -0.97 -4.69 118.33 113.38 1wgq n VAL 103 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1wgq n VAL 103 Cb 0.02 -1.78 0.00 0.00 -1.47 0.00 0.00 33.84 30.61 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 -0.87 0.00 -3.02 -1.34 2.88 -1.26 -4.91 113.62 105.09 1wgq n SER 104 Ca 0.00 -1.56 -0.01 0.00 -1.33 0.00 0.00 58.87 55.97 1wgq n SER 104 Cb 0.00 -0.11 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.00 -2.51 3.59 0.46 0.00 -1.26 -4.99 105.19 100.48 1wgq n GLY 105 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.43 -2.16 -1.20 1.61 -0.04 -1.26 -4.93 135.00 125.60 1wgq n PRO 106 Ca 0.01 -1.86 0.15 0.00 -0.04 0.00 0.00 63.50 61.75 1wgq n PRO 106 Cb 0.02 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1wgq n PRO 106 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgq n SER 107 N -4.32 -6.56 -3.72 3.54 7.64 -1.26 -4.97 113.62 103.97 1wgq n SER 107 Ca 0.16 1.19 -0.16 0.00 1.01 0.00 0.00 58.87 61.07 1wgq n SER 107 Cb 0.57 -4.11 -0.16 0.00 -1.01 0.00 0.00 64.21 59.50 1wgq n SER 107 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgq s SER 108 N -6.72 0.39 0.00 6.43 1.04 -1.26 -5.11 113.70 108.47 1wgq s SER 108 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1wgq s SER 108 Cb 0.00 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1wgq s SER 108 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64