#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 1.30 0.17 1.61 3.41 -1.26 -5.03 113.62 113.82 1wgq n SER 2 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1wgq n SER 2 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1wgq n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wgq n SER 3 N -3.37 -2.13 0.00 4.04 7.64 -1.26 -5.18 113.62 113.36 1wgq n SER 3 Ca -0.22 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wgq n SER 3 Cb 0.67 2.11 0.00 0.00 -1.01 0.00 0.00 64.21 65.98 1wgq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgq n GLY 4 N -0.22 1.29 3.34 0.23 0.00 -1.26 -5.08 105.19 103.50 1wgq n GLY 4 Ca 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 -1.19 0.67 1.61 0.15 -1.26 -5.16 113.70 108.52 1wgq s SER 5 Ca 0.00 1.08 -0.13 0.00 0.70 0.00 0.00 55.95 57.61 1wgq s SER 5 Cb 0.00 2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 66.44 1wgq s SER 5 CO 0.00 -0.22 1.06 -0.94 1.20 0.00 0.00 173.24 174.34 1wgq s SER 6 N 2.85 5.41 0.00 5.45 1.04 -1.26 -4.58 113.70 122.62 1wgq s SER 6 Ca 0.08 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1wgq s SER 6 Cb -0.13 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1wgq s SER 6 CO -0.19 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.22 1wgq n GLY 7 N -1.52 0.93 3.11 7.32 0.00 -1.26 -4.94 105.19 108.84 1wgq n GLY 7 Ca 0.08 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 0.42 0.06 1.61 0.01 -1.26 -5.08 113.70 105.46 1wgq s SER 8 Ca 0.00 -1.07 -0.24 0.00 1.31 0.00 0.00 55.95 55.95 1wgq s SER 8 Cb 0.00 0.24 -0.11 0.00 0.21 0.00 0.00 66.02 66.36 1wgq s SER 8 CO 0.00 -0.65 1.37 0.74 0.41 0.00 0.00 173.24 175.11 1wgq h THR 9 N 3.04 0.00 -4.18 1.44 2.02 -1.89 -3.46 112.91 109.88 1wgq h THR 9 Ca -0.34 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.60 1wgq h THR 9 Cb 1.16 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.42 1wgq h THR 9 CO 0.63 0.00 -0.64 -0.04 0.37 0.00 0.00 175.52 175.84 1wgq s MET 10 N -4.88 1.07 -0.19 6.66 1.00 -1.26 -5.03 119.30 116.66 1wgq s MET 10 Ca -0.12 -1.53 -0.36 0.00 0.00 0.00 0.00 55.69 53.69 1wgq s MET 10 Cb 0.03 0.04 0.14 0.00 0.00 0.00 0.00 34.83 35.05 1wgq s MET 10 CO 0.41 -0.24 1.30 -1.54 0.00 0.00 0.00 175.02 174.94 1wgq s SER 11 N -3.13 -0.07 0.00 3.03 1.04 -1.26 -2.99 113.70 110.32 1wgq s SER 11 Ca 0.28 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wgq s SER 11 Cb 0.07 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wgq s SER 11 CO 0.05 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1wgq n GLY 12 N -0.15 3.88 3.69 7.32 0.00 -1.22 -5.01 105.19 113.69 1wgq n GLY 12 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.45 2.75 0.03 1.61 2.02 -1.26 -3.55 117.35 116.50 1wgq s TYR 13 Ca 0.00 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.49 1wgq s TYR 13 Cb 0.00 -3.71 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 1wgq s TYR 13 CO 0.00 -2.67 -0.18 -0.51 -1.57 0.00 0.00 175.55 170.62 1wgq s LEU 14 N 2.55 2.13 -0.41 -1.29 1.43 0.14 -4.72 118.68 118.51 1wgq s LEU 14 Ca 0.65 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 1wgq s LEU 14 Cb -0.32 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1wgq s LEU 14 CO 0.27 0.14 0.97 -0.31 0.23 0.00 0.00 176.35 177.65 1wgq s TYR 15 N -0.69 2.99 -0.43 0.29 2.02 -1.04 0.51 117.35 121.00 1wgq s TYR 15 Ca 0.05 0.67 -0.15 0.00 -0.37 0.00 0.00 57.07 57.27 1wgq s TYR 15 Cb -0.08 -3.89 0.04 0.00 -0.40 0.00 0.00 41.96 37.62 1wgq s TYR 15 CO 0.01 -0.99 0.33 0.50 -1.57 0.00 0.00 175.55 173.83 1wgq s ARG 16 N 3.75 2.97 0.45 -0.62 3.52 0.31 -1.05 118.95 128.28 1wgq s ARG 16 Ca 0.40 -1.12 0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1wgq s ARG 16 Cb -0.10 -4.02 0.08 0.00 -1.56 0.00 0.00 34.95 29.34 1wgq s ARG 16 CO 0.23 -0.84 0.63 0.43 -0.81 0.00 0.00 175.30 174.94 1wgq n SER 17 N 5.17 1.58 -0.30 -2.12 7.64 0.64 -1.41 113.62 124.82 1wgq n SER 17 Ca -0.11 -2.16 0.05 0.00 1.01 0.00 0.00 58.87 57.66 1wgq n SER 17 Cb 0.46 -0.34 0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1wgq n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 18 N -2.00 0.71 0.00 1.43 5.02 -1.26 -2.63 118.16 119.43 1wgq n LYS 18 Ca 0.13 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1wgq n LYS 18 Cb 0.46 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.77 -0.58 0.43 0.72 0.00 -1.26 -4.90 105.19 98.84 1wgq n GLY 19 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1wgq n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgq n SER 20 N 0.00 0.66 0.00 1.61 2.88 -1.26 -4.58 113.62 112.92 1wgq n SER 20 Ca 0.00 0.10 0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1wgq n SER 20 Cb 0.00 -0.41 0.72 0.00 -0.75 0.00 0.00 64.21 63.77 1wgq n SER 20 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wgq n LYS 21 N -3.14 0.71 -1.61 -1.46 4.01 -1.26 -4.81 118.16 110.59 1wgq n LYS 21 Ca -0.03 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.45 1wgq n LYS 21 Cb 0.13 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.21 1wgq n LYS 21 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1wgq s LYS 22 N -2.11 2.65 0.33 1.97 -0.14 -1.26 -4.99 119.74 116.18 1wgq s LYS 22 Ca 0.35 1.31 -0.27 0.00 -1.36 0.00 0.00 55.97 56.00 1wgq s LYS 22 Cb 0.17 -1.94 -0.09 0.00 -1.68 0.00 0.00 37.83 34.29 1wgq s LYS 22 CO 0.31 -1.36 1.07 -1.25 -0.76 0.00 0.00 175.35 173.36 1wgq s PRO 23 N -4.36 4.46 0.15 -1.68 0.04 -1.26 -4.78 135.00 127.57 1wgq s PRO 23 Ca 0.65 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1wgq s PRO 23 Cb -0.19 -2.94 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1wgq s PRO 23 CO 0.46 0.09 0.64 -1.58 0.04 0.00 0.00 177.00 176.65 1wgq s TRP 24 N -1.36 3.74 -0.32 0.56 0.52 -1.26 -4.24 118.94 116.58 1wgq s TRP 24 Ca 0.50 1.32 0.02 0.00 0.02 0.00 0.00 56.10 57.96 1wgq s TRP 24 Cb -0.28 -2.55 0.09 0.00 -1.15 0.00 0.00 33.47 29.59 1wgq s TRP 24 CO 0.35 0.47 0.04 0.15 0.02 0.00 0.00 176.95 177.98 1wgq s LYS 25 N -1.55 1.33 -0.67 4.98 1.02 -0.50 -4.83 119.74 119.52 1wgq s LYS 25 Ca 0.36 -1.54 -0.26 0.00 0.02 0.00 0.00 55.97 54.55 1wgq s LYS 25 Cb -0.18 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1wgq s LYS 25 CO 0.21 -0.90 1.79 -3.38 -0.92 0.00 0.00 175.35 172.15 1wgq s HIS 26 N 1.16 1.77 0.42 3.18 -3.43 -1.25 0.11 115.29 117.25 1wgq s HIS 26 Ca 0.08 0.63 0.07 0.00 -0.80 0.00 0.00 55.06 55.04 1wgq s HIS 26 Cb -0.19 -4.16 -0.04 0.00 -1.43 0.00 0.00 32.58 26.76 1wgq s HIS 26 CO -0.12 -2.21 0.22 -0.51 -2.00 0.00 0.00 174.74 170.11 1wgq s LEU 27 N 8.69 3.12 -0.14 5.38 1.43 0.18 -4.79 118.68 132.55 1wgq s LEU 27 Ca 0.63 -1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1wgq s LEU 27 Cb -0.11 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1wgq s LEU 27 CO 0.17 -0.60 0.06 0.86 0.23 0.00 0.00 176.35 177.07 1wgq s TRP 28 N -2.60 3.29 0.05 0.29 -0.11 -1.21 0.26 118.94 118.91 1wgq s TRP 28 Ca 0.41 0.18 0.03 0.00 1.22 0.00 0.00 56.10 57.94 1wgq s TRP 28 Cb 0.02 -1.97 -0.02 0.00 -1.50 0.00 0.00 33.47 30.00 1wgq s TRP 28 CO 0.23 0.34 -0.09 -0.06 -4.62 0.00 0.00 176.95 172.75 1wgq s PHE 29 N -0.22 0.80 -0.08 5.86 0.08 -1.23 -0.51 117.98 122.68 1wgq s PHE 29 Ca 0.08 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 1wgq s PHE 29 Cb -0.12 -0.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.90 1wgq s PHE 29 CO 0.01 -0.04 0.15 0.08 -0.10 0.00 0.00 175.22 175.32 1wgq s VAL 30 N -1.25 -0.20 -0.75 -0.44 1.01 -1.04 -3.38 120.40 114.36 1wgq s VAL 30 Ca -0.07 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 1wgq s VAL 30 Cb -0.09 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1wgq s VAL 30 CO 0.01 0.13 1.13 -0.63 0.00 0.00 0.00 175.10 175.73 1wgq s ILE 31 N 1.95 4.13 -0.07 2.22 1.01 -1.16 -1.75 121.20 127.53 1wgq s ILE 31 Ca -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1wgq s ILE 31 Cb -0.12 -4.80 -0.01 0.00 0.01 0.00 0.00 42.46 37.54 1wgq s ILE 31 CO -0.06 -1.64 -0.24 -0.75 0.00 0.00 0.00 174.94 172.25 1wgq s LYS 32 N 4.54 2.72 -2.12 2.79 2.47 -0.35 -3.59 119.74 126.21 1wgq s LYS 32 Ca 0.29 -0.89 0.00 0.00 -1.56 0.00 0.00 55.97 53.81 1wgq s LYS 32 Cb -0.11 -2.20 0.00 0.00 -1.46 0.00 0.00 37.83 34.06 1wgq s LYS 32 CO 0.08 0.30 0.00 0.09 0.16 0.00 0.00 175.35 175.98 1wgq n ASN 33 N 3.16 -5.46 -0.07 1.43 3.02 -1.26 0.60 115.26 116.68 1wgq n ASN 33 Ca -0.18 0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 54.85 1wgq n ASN 33 Cb 0.52 -4.71 -0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wgq n LYS 34 N -2.34 -0.20 -4.43 3.52 4.01 -1.26 -5.00 118.16 112.46 1wgq n LYS 34 Ca -0.20 0.28 -0.34 0.00 -0.51 0.00 0.00 58.31 57.54 1wgq n LYS 34 Cb 0.66 -3.63 -0.12 0.00 -0.51 0.00 0.00 35.03 31.44 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 -1.97 3.93 -0.90 -0.18 1.01 0.20 -2.82 120.40 119.67 1wgq s VAL 35 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1wgq s VAL 35 Cb 0.00 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.75 1wgq s VAL 35 CO 0.00 0.52 1.29 -0.22 0.00 0.00 0.00 175.10 176.69 1wgq s LEU 36 N 0.04 3.86 0.38 3.92 1.98 0.13 -1.21 118.68 127.78 1wgq s LEU 36 Ca 0.00 -1.31 -0.23 0.00 -2.89 0.00 0.00 54.13 49.71 1wgq s LEU 36 Cb -0.13 -2.51 -0.10 0.00 0.66 0.00 0.00 46.19 44.10 1wgq s LEU 36 CO 0.03 -1.48 0.94 -0.31 -1.89 0.00 0.00 176.35 173.63 1wgq s TYR 37 N 4.54 3.48 0.16 5.38 2.02 -0.72 -2.89 117.35 129.33 1wgq s TYR 37 Ca 0.38 1.66 0.04 0.00 -0.37 0.00 0.00 57.07 58.78 1wgq s TYR 37 Cb -0.05 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1wgq s TYR 37 CO -0.02 0.04 0.21 0.99 -1.57 0.00 0.00 175.55 175.20 1wgq s THR 38 N -1.92 4.87 0.38 -0.71 2.01 0.91 -2.51 115.64 118.67 1wgq s THR 38 Ca 0.56 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 1wgq s THR 38 Cb -0.13 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1wgq s THR 38 CO 0.18 -0.12 0.68 -0.31 -0.69 0.00 0.00 174.62 174.36 1wgq s TYR 39 N -1.77 0.50 0.00 4.92 2.02 0.34 -1.10 117.35 122.25 1wgq s TYR 39 Ca 0.33 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1wgq s TYR 39 Cb -0.10 0.49 0.00 0.00 -0.40 0.00 0.00 41.96 41.95 1wgq s TYR 39 CO 0.26 -1.42 0.00 0.00 -1.57 0.00 0.00 175.55 172.81 1wgq n ALA 40 N -0.55 2.08 -4.13 3.71 0.00 -1.26 -3.31 120.51 117.05 1wgq n ALA 40 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1wgq n ALA 40 Cb 0.60 0.48 -0.02 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.49 0.33 -0.04 0.00 0.00 -1.26 -4.52 120.51 112.53 1wgq n ALA 41 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 52.06 1wgq n ALA 41 Cb 0.48 0.61 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 1wgq n ALA 41 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wgq h SER 42 N 0.54 0.11 -2.14 0.00 0.87 -1.99 -3.36 113.55 107.58 1wgq h SER 42 Ca -0.22 -0.75 -0.61 0.00 -1.23 0.00 0.00 61.79 58.98 1wgq h SER 42 Cb 0.70 -0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.22 1wgq h SER 42 CO 0.35 0.85 -0.47 -0.62 -0.53 0.00 0.00 176.83 176.41 1wgq n GLU 43 N -4.62 3.47 -0.59 2.24 1.02 -1.26 -5.07 120.64 115.82 1wgq n GLU 43 Ca -0.09 -4.76 -0.30 0.00 -0.02 0.00 0.00 57.16 51.99 1wgq n GLU 43 Cb 0.43 -2.26 0.21 0.00 -0.02 0.00 0.00 31.44 29.79 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 -0.28 -1.13 0.12 1.62 -0.08 -1.26 -4.92 116.55 110.62 1wgq n ASP 44 Ca 0.34 0.08 0.02 0.00 -1.51 0.00 0.00 54.79 53.72 1wgq n ASP 44 Cb 0.42 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.58 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 -2.27 0.80 -1.82 5.18 -1.51 -1.97 -3.47 116.25 111.18 1wgq h VAL 45 Ca -0.53 -2.18 -0.00 0.00 -1.23 0.00 0.00 66.70 62.76 1wgq h VAL 45 Cb 1.31 2.34 -0.21 0.00 -2.13 0.00 0.00 31.29 32.61 1wgq h VAL 45 CO 0.44 0.45 0.33 0.00 -1.23 0.00 0.00 177.57 177.56 1wgq s ALA 46 N -2.95 -1.84 0.21 5.19 0.00 -1.26 -5.14 121.76 115.96 1wgq s ALA 46 Ca 0.03 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1wgq s ALA 46 Cb 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1wgq s ALA 46 CO 0.76 -0.34 1.32 0.00 0.00 0.00 0.00 175.76 177.50 1wgq s ALA 47 N -1.06 3.53 0.21 0.00 0.00 -1.26 -4.84 121.76 118.34 1wgq s ALA 47 Ca -0.07 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 1wgq s ALA 47 Cb -0.00 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.78 1wgq s ALA 47 CO 0.06 -0.56 1.81 -0.07 0.00 0.00 0.00 175.76 177.00 1wgq h LEU 48 N 5.28 1.00 -8.13 0.00 3.38 -1.44 -3.46 115.31 111.94 1wgq h LEU 48 Ca -0.45 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 1wgq h LEU 48 Cb 1.21 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1wgq h LEU 48 CO 0.77 0.84 -0.26 -1.61 0.09 0.00 0.00 178.44 178.26 1wgq s GLU 49 N -5.76 1.28 -0.06 1.13 2.02 -1.25 -4.99 118.70 111.09 1wgq s GLU 49 Ca -0.13 -1.21 -0.02 0.00 0.02 0.00 0.00 54.97 53.63 1wgq s GLU 49 Cb 0.15 0.41 0.04 0.00 0.10 0.00 0.00 34.13 34.83 1wgq s GLU 49 CO 0.81 -0.49 0.11 -1.54 0.02 0.00 0.00 175.26 174.17 1wgq s SER 50 N -2.99 0.43 -0.07 -0.19 1.04 -1.26 -0.06 113.70 110.60 1wgq s SER 50 Ca 0.20 0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.82 1wgq s SER 50 Cb 0.02 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1wgq s SER 50 CO 0.03 -0.20 0.16 -1.10 0.98 0.00 0.00 173.24 173.11 1wgq s GLN 51 N 1.70 0.08 0.64 4.02 -1.52 -1.14 -5.02 119.66 118.42 1wgq s GLN 51 Ca -0.03 0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 53.69 1wgq s GLN 51 Cb -0.12 -0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 32.45 1wgq s GLN 51 CO -0.05 -0.21 1.05 -1.25 -0.25 0.00 0.00 175.29 174.59 1wgq s PRO 52 N 1.50 3.16 -0.35 2.91 0.04 -1.26 0.18 135.00 141.19 1wgq s PRO 52 Ca -0.06 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.13 1wgq s PRO 52 Cb -0.12 -2.02 0.74 0.00 0.04 0.00 0.00 34.50 33.14 1wgq s PRO 52 CO -0.06 -0.93 1.83 1.28 0.04 0.00 0.00 177.00 179.16 1wgq n LEU 53 N -2.58 6.20 -4.67 -3.56 4.77 -1.13 -4.75 117.00 111.29 1wgq n LEU 53 Ca 0.08 -3.30 -0.41 0.00 -0.03 0.00 0.00 56.01 52.35 1wgq n LEU 53 Cb 0.53 -0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1wgq n LEU 53 CO 0.52 0.85 0.59 -0.22 -1.33 0.00 0.00 177.39 177.80 1wgq s LEU 54 N -3.05 4.16 0.00 2.23 0.20 -1.26 -3.36 118.68 117.59 1wgq s LEU 54 Ca 0.56 1.13 0.00 0.00 0.69 0.00 0.00 54.13 56.50 1wgq s LEU 54 Cb 0.45 -3.20 0.00 0.00 -0.43 0.00 0.00 46.19 43.01 1wgq s LEU 54 CO 0.13 -0.40 0.00 0.61 -0.29 0.00 0.00 176.35 176.40 1wgq n GLY 55 N 3.52 2.80 3.75 7.98 0.00 -1.26 -5.01 105.19 116.97 1wgq n GLY 55 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1wgq n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgq s PHE 56 N -1.98 1.14 0.20 1.61 0.08 -1.21 -3.50 117.98 114.32 1wgq s PHE 56 Ca 0.00 0.46 -0.10 0.00 0.12 0.00 0.00 56.93 57.41 1wgq s PHE 56 Cb 0.00 -3.71 -0.01 0.00 -0.57 0.00 0.00 43.02 38.73 1wgq s PHE 56 CO 0.00 -3.23 0.36 0.99 -0.10 0.00 0.00 175.22 173.24 1wgq s THR 57 N -3.38 0.03 0.02 0.64 2.01 0.51 -4.79 115.64 110.68 1wgq s THR 57 Ca 0.71 -1.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1wgq s THR 57 Cb -0.08 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1wgq s THR 57 CO 0.55 -0.13 0.13 -0.69 -0.69 0.00 0.00 174.62 173.79 1wgq s VAL 58 N -4.00 0.11 -0.10 3.82 1.01 -1.26 0.21 120.40 120.18 1wgq s VAL 58 Ca 0.21 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1wgq s VAL 58 Cb 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.78 1wgq s VAL 58 CO 0.05 -0.49 0.71 0.28 0.00 0.00 0.00 175.10 175.65 1wgq s THR 59 N -2.07 0.00 0.28 3.92 -1.32 -1.15 -4.92 115.64 110.37 1wgq s THR 59 Ca -0.09 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.12 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 0.91 -0.22 -2.21 0.00 0.00 174.62 173.08 1wgq s LEU 60 N -0.87 4.45 0.02 9.08 1.98 -1.26 -1.95 118.68 130.13 1wgq s LEU 60 Ca -0.08 1.81 0.07 0.00 -2.89 0.00 0.00 54.13 53.04 1wgq s LEU 60 Cb -0.01 -3.80 -0.02 0.00 0.66 0.00 0.00 46.19 43.02 1wgq s LEU 60 CO 0.08 0.03 -0.21 0.54 -1.89 0.00 0.00 176.35 174.89 1wgq s VAL 61 N -1.44 1.70 0.16 1.68 0.11 -1.08 -4.93 120.40 116.59 1wgq s VAL 61 Ca 0.46 -1.07 -0.11 0.00 -2.93 0.00 0.00 61.98 58.33 1wgq s VAL 61 Cb -0.21 -1.44 0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1wgq s VAL 61 CO 0.26 0.34 1.58 0.07 -3.33 0.00 0.00 175.10 174.02 1wgq h LYS 62 N 5.21 0.97 -2.88 1.54 5.09 -1.89 -3.37 116.57 121.24 1wgq h LYS 62 Ca -0.41 -0.36 0.29 0.00 0.09 0.00 0.00 60.65 60.26 1wgq h LYS 62 Cb 1.15 -0.06 -0.12 0.00 0.10 0.00 0.00 32.23 33.30 1wgq h LYS 62 CO 0.46 1.03 -0.75 -3.47 -2.09 0.00 0.00 179.45 174.63 1wgq n ASP 63 N -4.20 -6.70 -0.00 7.07 2.03 -1.26 -4.21 116.55 109.28 1wgq n ASP 63 Ca 0.01 0.85 0.03 0.00 0.52 0.00 0.00 54.79 56.20 1wgq n ASP 63 Cb 0.39 -4.04 -0.05 0.00 -0.72 0.00 0.00 41.12 36.70 1wgq n ASP 63 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wgq n GLU 64 N -3.83 1.46 -0.06 -0.67 0.28 -1.26 -4.65 120.64 111.92 1wgq n GLU 64 Ca -0.04 -0.05 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 1wgq n GLU 64 Cb 0.63 -1.07 -0.13 0.00 1.43 0.00 0.00 31.44 32.31 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1wgq h ASN 65 N 0.00 0.16 -1.97 -1.84 -1.24 -1.94 -3.48 115.58 105.29 1wgq h ASN 65 Ca 0.00 -0.69 -0.62 0.00 0.71 0.00 0.00 56.30 55.70 1wgq h ASN 65 Cb 0.27 -0.05 -0.14 0.00 0.73 0.00 0.00 38.32 39.13 1wgq h ASN 65 CO 0.00 1.59 -0.69 -0.44 -1.29 0.00 0.00 177.43 176.61 1wgq s SER 66 N -6.91 3.73 -0.15 1.15 0.01 -1.26 -5.13 113.70 105.13 1wgq s SER 66 Ca -0.26 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1wgq s SER 66 Cb 0.06 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.97 1wgq s SER 66 CO 0.67 -0.18 -0.11 -1.83 0.41 0.00 0.00 173.24 172.20 1wgq s GLU 67 N -3.60 1.97 -0.75 12.44 -1.05 -1.26 -4.23 118.70 122.21 1wgq s GLU 67 Ca 0.32 -0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 54.59 1wgq s GLU 67 Cb 0.02 -2.02 0.02 0.00 -0.44 0.00 0.00 34.13 31.71 1wgq s GLU 67 CO 0.16 -0.30 0.10 0.45 0.95 0.00 0.00 175.26 176.63 1wgq n SER 68 N 4.81 -2.78 -0.09 0.83 2.88 -1.26 -4.69 113.62 113.31 1wgq n SER 68 Ca -0.15 0.15 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1wgq n SER 68 Cb 0.49 -2.41 0.01 0.00 -0.75 0.00 0.00 64.21 61.56 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wgq n LYS 69 N -2.90 0.97 -3.86 -1.46 5.02 -1.26 -4.65 118.16 110.01 1wgq n LYS 69 Ca -0.06 -1.07 -0.11 0.00 -2.02 0.00 0.00 58.31 55.04 1wgq n LYS 69 Cb 0.55 -0.74 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 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 -0.57 0.06 0.33 -0.18 0.11 -1.26 -1.19 120.40 117.70 1wgq s VAL 70 Ca 0.03 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1wgq s VAL 70 Cb 0.03 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1wgq s VAL 70 CO 0.00 -0.28 0.23 0.72 -3.33 0.00 0.00 175.10 172.44 1wgq s PHE 71 N -0.97 1.69 0.04 1.54 -0.71 0.25 -2.64 117.98 117.19 1wgq s PHE 71 Ca -0.11 -1.56 0.05 0.00 -1.04 0.00 0.00 56.93 54.28 1wgq s PHE 71 Cb -0.06 -0.78 -0.02 0.00 -1.21 0.00 0.00 43.02 40.95 1wgq s PHE 71 CO 0.01 -0.73 -0.14 -0.65 -1.34 0.00 0.00 175.22 172.36 1wgq s GLN 72 N -3.58 0.96 -0.61 1.99 -0.21 -0.82 -0.05 119.66 117.33 1wgq s GLN 72 Ca 0.37 -0.77 -0.18 0.00 0.02 0.00 0.00 55.36 54.80 1wgq s GLN 72 Cb 0.03 -0.97 0.12 0.00 1.00 0.00 0.00 33.01 33.18 1wgq s GLN 72 CO 0.23 0.24 0.68 -1.17 -2.12 0.00 0.00 175.29 173.16 1wgq s LEU 73 N -1.15 5.61 0.32 2.90 2.96 0.17 -2.95 118.68 126.54 1wgq s LEU 73 Ca 0.02 -1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 52.15 1wgq s LEU 73 Cb -0.08 -2.28 -0.09 0.00 0.50 0.00 0.00 46.19 44.24 1wgq s LEU 73 CO 0.01 -1.04 0.79 -0.76 -1.32 0.00 0.00 176.35 174.04 1wgq s LEU 74 N 2.34 4.14 -0.33 -0.68 1.43 0.13 0.19 118.68 125.89 1wgq s LEU 74 Ca 0.11 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1wgq s LEU 74 Cb -0.24 -4.03 0.12 0.00 0.03 0.00 0.00 46.19 42.07 1wgq s LEU 74 CO 0.04 -0.16 0.17 -2.28 0.23 0.00 0.00 176.35 174.35 1wgq s HIS 75 N -1.86 0.92 0.00 0.29 5.65 0.56 0.19 115.29 121.03 1wgq s HIS 75 Ca 0.52 -1.49 0.00 0.00 0.25 0.00 0.00 55.06 54.34 1wgq s HIS 75 Cb -0.12 -1.17 0.00 0.00 -1.18 0.00 0.00 32.58 30.10 1wgq s HIS 75 CO 0.18 -0.83 0.00 1.63 -0.65 0.00 0.00 174.74 175.07 1wgq n LYS 76 N 4.53 0.00 0.00 2.88 5.02 -1.23 -3.40 118.16 125.97 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 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 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 0.00 0.30 3.84 0.72 0.00 -1.26 -5.08 105.19 103.72 1wgq n GLY 77 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1wgq n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wgq s MET 78 N 0.00 3.94 0.12 1.61 -1.94 -1.22 -5.00 119.30 116.82 1wgq s MET 78 Ca 0.00 0.43 -0.31 0.00 -1.71 0.00 0.00 55.69 54.10 1wgq s MET 78 Cb 0.00 -3.12 -0.09 0.00 2.01 0.00 0.00 34.83 33.63 1wgq s MET 78 CO 0.00 0.62 1.49 0.08 -0.01 0.00 0.00 175.02 177.20 1wgq s VAL 79 N -1.22 3.02 -0.17 -6.03 1.01 -1.26 -0.33 120.40 115.42 1wgq s VAL 79 Ca 0.29 0.70 -0.07 0.00 0.00 0.00 0.00 61.98 62.90 1wgq s VAL 79 Cb -0.16 -3.45 -0.22 0.00 0.00 0.00 0.00 36.38 32.55 1wgq s VAL 79 CO 0.16 0.04 0.17 0.33 0.00 0.00 0.00 175.10 175.80 1wgq n PHE 80 N 4.23 0.87 -3.51 5.22 7.35 0.50 -4.88 117.46 127.23 1wgq n PHE 80 Ca 0.13 0.21 -0.10 0.00 -0.76 0.00 0.00 57.45 56.93 1wgq n PHE 80 Cb 0.41 -1.11 -0.03 0.00 0.35 0.00 0.00 39.48 39.10 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 -0.38 -0.18 -5.13 2.02 -1.16 -4.98 117.35 105.02 1wgq s TYR 81 Ca -0.27 0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.67 1wgq s TYR 81 Cb 0.08 0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 42.11 1wgq s TYR 81 CO 0.69 -0.54 0.14 0.08 -1.57 0.00 0.00 175.55 174.35 1wgq s VAL 82 N -2.76 5.43 -0.06 0.71 1.01 -1.08 0.42 120.40 124.07 1wgq s VAL 82 Ca 0.03 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1wgq s VAL 82 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wgq s VAL 82 CO -0.07 0.49 -0.16 -0.36 0.00 0.00 0.00 175.10 175.00 1wgq s PHE 83 N 0.00 1.76 -0.05 5.22 0.08 0.93 -0.26 117.98 125.66 1wgq s PHE 83 Ca 0.10 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.58 1wgq s PHE 83 Cb -0.11 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1wgq s PHE 83 CO -0.00 -0.27 -0.20 0.21 -0.10 0.00 0.00 175.22 174.86 1wgq s LYS 84 N 0.38 2.43 0.10 0.44 2.20 -0.21 0.88 119.74 125.95 1wgq s LYS 84 Ca -0.12 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1wgq s LYS 84 Cb -0.15 -2.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1wgq s LYS 84 CO 0.04 0.54 0.08 0.00 -0.36 0.00 0.00 175.35 175.65 1wgq s ALA 85 N -0.53 3.54 0.00 3.13 0.00 -0.33 -2.50 121.76 125.07 1wgq s ALA 85 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1wgq s ALA 85 Cb -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1wgq s ALA 85 CO 0.01 0.70 0.77 -0.25 0.00 0.00 0.00 175.76 176.99 1wgq n ASP 86 N 0.32 0.00 -4.79 0.00 9.92 -1.26 -4.76 116.55 115.98 1wgq n ASP 86 Ca -0.09 0.77 -0.22 0.00 -0.53 0.00 0.00 54.79 54.72 1wgq n ASP 86 Cb 0.52 -0.27 0.10 0.00 -0.64 0.00 0.00 41.12 40.82 1wgq n ASP 86 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1wgq s ASP 87 N -2.47 4.57 -0.03 -2.24 1.11 -1.26 -5.01 116.67 111.33 1wgq s ASP 87 Ca 0.00 -0.56 -0.12 0.00 0.18 0.00 0.00 52.55 52.05 1wgq s ASP 87 Cb 0.00 0.15 -0.06 0.00 1.07 0.00 0.00 42.92 44.07 1wgq s ASP 87 CO 0.00 -1.71 0.56 0.00 1.18 0.00 0.00 175.17 175.19 1wgq h ALA 88 N -0.30 -0.50 -0.98 5.23 0.00 -1.85 -2.96 119.26 117.90 1wgq h ALA 88 Ca -0.34 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 54.82 1wgq h ALA 88 Cb 1.27 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 19.05 1wgq h ALA 88 CO 0.40 -0.46 0.27 0.72 0.00 0.00 0.00 179.25 180.17 1wgq n HIS 89 N -4.51 0.88 0.21 0.00 8.25 -1.26 0.88 115.22 119.67 1wgq n HIS 89 Ca -0.05 1.16 -0.15 0.00 -0.26 0.00 0.00 57.72 58.42 1wgq n HIS 89 Cb 0.17 -1.39 -0.07 0.00 1.12 0.00 0.00 29.99 29.81 1wgq n HIS 89 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1wgq h SER 90 N 0.00 -0.96 -0.84 0.41 0.02 -1.96 -0.46 113.55 109.76 1wgq h SER 90 Ca 0.71 0.09 0.15 0.00 -0.84 0.00 0.00 61.79 61.89 1wgq h SER 90 Cb 1.71 0.33 -0.15 0.00 0.14 0.00 0.00 62.40 64.43 1wgq h SER 90 CO -0.83 -0.49 -0.32 0.74 -1.14 0.00 0.00 176.83 174.79 1wgq h THR 91 N -0.71 0.09 0.55 -2.27 2.02 0.67 0.38 112.91 113.63 1wgq h THR 91 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1wgq h THR 91 Cb 0.65 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1wgq h THR 91 CO -0.08 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.95 1wgq h GLN 92 N -0.05 -0.91 -0.77 6.66 1.08 -1.01 0.27 115.11 120.39 1wgq h GLN 92 Ca 0.34 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.78 1wgq h GLN 92 Cb 0.60 0.21 -0.13 0.00 -0.05 0.00 0.00 27.48 28.10 1wgq h GLN 92 CO -0.87 -0.61 0.05 0.00 -0.95 0.00 0.00 178.83 176.45 1wgq h ARG 93 N -0.94 0.13 0.37 1.46 -0.00 0.66 0.99 114.38 117.05 1wgq h ARG 93 Ca -0.06 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.39 1wgq h ARG 93 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.74 1wgq h ARG 93 CO 0.01 0.08 -0.18 -1.49 0.00 0.00 0.00 179.97 178.40 1wgq h TRP 94 N 0.13 -0.46 0.05 3.04 4.06 0.12 0.86 115.95 123.74 1wgq h TRP 94 Ca 0.43 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.40 1wgq h TRP 94 Cb 0.78 0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 29.04 1wgq h TRP 94 CO -0.39 -0.27 -0.46 0.82 -3.56 0.00 0.00 178.44 174.58 1wgq h ILE 95 N -0.53 0.10 -0.96 1.49 2.04 0.24 0.93 117.51 120.81 1wgq h ILE 95 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1wgq h ILE 95 Cb 0.40 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.50 1wgq h ILE 95 CO 0.08 0.00 0.59 -0.78 0.00 0.00 0.00 178.15 178.04 1wgq h ASP 96 N -0.65 0.87 -0.25 1.72 3.58 0.10 1.17 116.42 122.96 1wgq h ASP 96 Ca 0.03 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1wgq h ASP 96 Cb 0.70 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1wgq h ASP 96 CO -0.30 0.48 0.05 0.00 -2.88 0.00 0.00 179.24 176.58 1wgq h ALA 97 N 1.51 1.45 0.00 -0.78 0.00 0.26 0.26 119.26 121.96 1wgq h ALA 97 Ca 0.47 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1wgq h ALA 97 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1wgq h ALA 97 CO -0.25 0.40 -1.10 0.74 0.00 0.00 0.00 179.25 179.03 1wgq h PHE 98 N 0.49 0.00 -0.17 0.00 0.04 0.45 -2.66 116.94 115.09 1wgq h PHE 98 Ca 0.11 -0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.66 1wgq h PHE 98 Cb 0.25 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.41 1wgq h PHE 98 CO 0.01 1.00 -0.75 1.96 -0.60 0.00 0.00 178.31 179.93 1wgq h GLN 99 N 0.00 0.80 0.00 1.51 1.08 0.19 -2.93 115.11 115.75 1wgq h GLN 99 Ca -0.05 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.52 1wgq h GLN 99 Cb 1.81 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1wgq h GLN 99 CO 0.12 1.24 0.00 -0.85 -0.95 0.00 0.00 178.83 178.39 1wgq n GLU 100 N -3.94 0.17 -0.04 1.46 0.28 0.86 -3.36 120.64 116.07 1wgq n GLU 100 Ca -0.07 0.19 -0.15 0.00 -0.16 0.00 0.00 57.16 56.97 1wgq n GLU 100 Cb 0.73 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 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 4.22 0.49 2.00 -1.84 0.00 -1.28 -3.05 103.07 103.60 1wgq h GLY 101 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1wgq h GLY 101 CO 0.00 0.55 -0.13 -0.91 0.00 0.00 0.00 176.54 176.05 1wgq h THR 102 N 0.04 0.53 -3.81 4.70 1.35 -1.55 -3.44 112.91 110.74 1wgq h THR 102 Ca -0.01 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1wgq h THR 102 Cb 0.94 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1wgq h THR 102 CO 0.07 0.12 0.00 1.33 -0.25 0.00 0.00 175.52 176.80 1wgq n VAL 103 N -3.58 0.00 -3.26 6.82 0.24 -1.15 -4.68 118.33 112.73 1wgq n VAL 103 Ca -0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 1wgq n VAL 103 Cb 0.26 -0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 31.83 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 -0.90 -0.33 1.20 -1.34 0.01 -1.26 -4.92 113.70 106.16 1wgq s SER 104 Ca 0.00 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.09 1wgq s SER 104 Cb 0.00 1.45 0.21 0.00 0.21 0.00 0.00 66.02 67.89 1wgq s SER 104 CO 0.00 -0.32 0.47 0.61 0.41 0.00 0.00 173.24 174.40 1wgq n GLY 105 N 5.38 -3.50 3.79 3.44 0.00 -1.26 -4.95 105.19 108.08 1wgq n GLY 105 Ca 0.01 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.95 3.92 -0.34 1.61 0.04 -1.26 -5.04 135.00 129.99 1wgq s PRO 106 Ca 0.36 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1wgq s PRO 106 Cb -0.06 -2.25 0.17 0.00 0.04 0.00 0.00 34.50 32.40 1wgq s PRO 106 CO 0.30 -0.34 0.51 0.45 0.04 0.00 0.00 177.00 177.97 1wgq s SER 107 N -1.83 -0.53 -0.29 6.66 0.15 -1.26 -5.08 113.70 111.52 1wgq s SER 107 Ca 0.64 -0.59 -0.16 0.00 0.70 0.00 0.00 55.95 56.54 1wgq s SER 107 Cb -0.18 1.49 0.15 0.00 -1.71 0.00 0.00 66.02 65.76 1wgq s SER 107 CO 0.23 -0.27 1.01 -0.55 1.20 0.00 0.00 173.24 174.85 1wgq s SER 108 N 2.20 -0.46 0.00 5.45 0.15 -1.26 -5.32 113.70 114.46 1wgq s SER 108 Ca 0.13 0.73 0.08 0.00 0.70 0.00 0.00 55.95 57.59 1wgq s SER 108 Cb -0.10 1.22 0.49 0.00 -1.71 0.00 0.00 66.02 65.92 1wgq s SER 108 CO -0.17 -0.11 0.94 0.61 1.20 0.00 0.00 173.24 175.70