#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgq s SER 2 N 0.00 -0.58 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.03 1wgq s SER 2 Ca 0.00 0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.70 1wgq s SER 2 Cb 0.00 0.47 0.19 0.00 0.21 0.00 0.00 66.02 66.89 1wgq s SER 2 CO 0.00 -0.54 1.20 -0.55 0.41 0.00 0.00 173.24 173.76 1wgq s SER 3 N -1.20 -0.20 0.09 2.44 0.15 -1.26 -5.19 113.70 108.54 1wgq s SER 3 Ca -0.08 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.86 1wgq s SER 3 Cb -0.00 1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1wgq s SER 3 CO 0.07 -0.04 0.02 0.61 1.20 0.00 0.00 173.24 175.10 1wgq n GLY 4 N 4.33 3.96 2.89 9.45 0.00 -1.26 -5.16 105.19 119.40 1wgq n GLY 4 Ca -0.10 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 1wgq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 5 N -1.55 0.59 -0.25 1.61 0.01 -1.26 -5.14 113.70 107.72 1wgq s SER 5 Ca 0.03 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.95 1wgq s SER 5 Cb 0.00 -0.21 0.13 0.00 0.21 0.00 0.00 66.02 66.15 1wgq s SER 5 CO 0.02 -0.02 1.05 -0.55 0.41 0.00 0.00 173.24 174.15 1wgq s SER 6 N 0.51 -0.40 -0.04 2.44 0.15 -1.26 -5.13 113.70 109.96 1wgq s SER 6 Ca -0.06 0.68 -0.39 0.00 0.70 0.00 0.00 55.95 56.89 1wgq s SER 6 Cb -0.09 0.66 -0.17 0.00 -1.71 0.00 0.00 66.02 64.70 1wgq s SER 6 CO -0.01 -0.20 1.38 0.61 1.20 0.00 0.00 173.24 176.22 1wgq n GLY 7 N 1.72 0.36 1.25 9.45 0.00 -1.26 -4.53 105.19 112.17 1wgq n GLY 7 Ca -0.12 0.78 0.16 0.00 0.00 0.00 0.00 46.02 46.84 1wgq n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgq n SER 8 N 2.94 -7.50 0.21 1.61 7.64 -1.26 -4.55 113.62 112.70 1wgq n SER 8 Ca 0.21 0.88 -0.14 0.00 1.01 0.00 0.00 58.87 60.83 1wgq n SER 8 Cb 0.14 -4.03 -0.08 0.00 -1.01 0.00 0.00 64.21 59.22 1wgq n SER 8 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1wgq h THR 9 N -1.20 0.58 -1.91 0.44 2.02 -1.80 -3.47 112.91 107.57 1wgq h THR 9 Ca -0.07 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1wgq h THR 9 Cb 1.17 0.76 -0.20 0.00 -1.74 0.00 0.00 68.15 68.15 1wgq h THR 9 CO 0.04 0.07 0.38 -0.04 0.37 0.00 0.00 175.52 176.34 1wgq s MET 10 N -5.07 0.85 -0.25 6.66 1.00 -1.26 -4.99 119.30 116.24 1wgq s MET 10 Ca -0.15 0.09 -0.26 0.00 0.00 0.00 0.00 55.69 55.37 1wgq s MET 10 Cb 0.03 0.40 0.13 0.00 0.00 0.00 0.00 34.83 35.38 1wgq s MET 10 CO 0.56 -0.29 1.04 -1.54 0.00 0.00 0.00 175.02 174.79 1wgq s SER 11 N -1.41 -0.41 0.00 3.03 1.04 -1.26 -3.10 113.70 111.59 1wgq s SER 11 Ca -0.04 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1wgq s SER 11 Cb -0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1wgq s SER 11 CO 0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1wgq n GLY 12 N 1.76 3.27 3.71 7.32 0.00 -1.23 -5.05 105.19 114.96 1wgq n GLY 12 Ca -0.12 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 3.46 0.02 1.61 2.02 -1.26 -3.63 117.35 117.57 1wgq s TYR 13 Ca 0.00 1.36 0.02 0.00 -0.37 0.00 0.00 57.07 58.09 1wgq s TYR 13 Cb 0.00 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1wgq s TYR 13 CO 0.00 -1.06 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.33 1wgq s LEU 14 N 1.15 2.13 -0.32 -1.29 1.43 0.39 -4.89 118.68 117.29 1wgq s LEU 14 Ca 0.57 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 1wgq s LEU 14 Cb -0.28 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.67 1wgq s LEU 14 CO 0.28 -0.05 0.95 -0.31 0.23 0.00 0.00 176.35 177.46 1wgq s TYR 15 N -0.74 3.17 -0.23 0.29 2.02 -1.24 0.67 117.35 121.28 1wgq s TYR 15 Ca -0.03 1.01 -0.09 0.00 -0.37 0.00 0.00 57.07 57.59 1wgq s TYR 15 Cb -0.06 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1wgq s TYR 15 CO 0.00 -0.69 0.12 0.50 -1.57 0.00 0.00 175.55 173.91 1wgq s ARG 16 N 3.36 3.94 0.52 -0.62 3.52 0.23 -2.30 118.95 127.59 1wgq s ARG 16 Ca 0.40 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1wgq s ARG 16 Cb -0.13 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 1wgq s ARG 16 CO 0.14 0.02 0.01 0.45 -0.81 0.00 0.00 175.30 175.12 1wgq s SER 17 N 1.13 4.16 -0.19 -2.12 0.15 -1.03 -2.48 113.70 113.33 1wgq s SER 17 Ca 0.06 -1.66 0.13 0.00 0.70 0.00 0.00 55.95 55.18 1wgq s SER 17 Cb -0.14 0.58 0.38 0.00 -1.71 0.00 0.00 66.02 65.13 1wgq s SER 17 CO 0.04 -0.89 1.20 0.29 1.20 0.00 0.00 173.24 175.09 1wgq n LYS 18 N -1.30 1.50 0.00 5.44 5.02 -1.26 -2.28 118.16 125.29 1wgq n LYS 18 Ca -0.20 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.01 1wgq n LYS 18 Cb 0.67 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.22 0.21 0.02 0.72 0.00 -1.26 -4.94 105.19 98.72 1wgq n GLY 19 Ca 0.18 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 0.44 -2.55 1.61 7.64 -1.26 -4.49 113.62 115.01 1wgq n SER 20 Ca 0.00 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 59.91 1wgq n SER 20 Cb 0.00 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.54 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 -2.88 2.08 -4.23 1.43 5.02 -1.26 -4.79 118.16 113.53 1wgq n LYS 21 Ca -0.02 -1.19 -0.16 0.00 -2.02 0.00 0.00 58.31 54.91 1wgq n LYS 21 Cb 0.09 -2.18 -0.11 0.00 -0.02 0.00 0.00 35.03 32.82 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 1.96 0.99 0.20 1.97 -0.14 -1.26 -5.07 119.74 118.40 1wgq s LYS 22 Ca 0.53 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.58 1wgq s LYS 22 Cb 0.21 -0.76 -0.08 0.00 -1.68 0.00 0.00 37.83 35.52 1wgq s LYS 22 CO -0.02 0.13 1.11 -1.25 -0.76 0.00 0.00 175.35 174.56 1wgq s PRO 23 N -2.94 4.60 0.28 -1.68 0.04 -1.26 -4.88 135.00 129.16 1wgq s PRO 23 Ca 0.10 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1wgq s PRO 23 Cb -0.03 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1wgq s PRO 23 CO 0.02 0.10 0.82 -1.58 0.04 0.00 0.00 177.00 176.39 1wgq s TRP 24 N -0.46 3.62 -0.21 0.56 0.52 -1.26 -4.48 118.94 117.23 1wgq s TRP 24 Ca 0.48 1.53 -0.04 0.00 0.02 0.00 0.00 56.10 58.09 1wgq s TRP 24 Cb -0.30 -2.73 0.07 0.00 -1.15 0.00 0.00 33.47 29.36 1wgq s TRP 24 CO 0.36 0.24 0.08 0.15 0.02 0.00 0.00 176.95 177.81 1wgq s LYS 25 N -2.16 0.29 -0.69 4.98 1.02 -1.03 -4.88 119.74 117.26 1wgq s LYS 25 Ca 0.48 -0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.87 1wgq s LYS 25 Cb -0.16 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1wgq s LYS 25 CO 0.21 -0.76 1.67 -3.38 -0.92 0.00 0.00 175.35 172.17 1wgq s HIS 26 N 2.02 1.90 0.40 3.18 -3.43 -1.25 0.75 115.29 118.86 1wgq s HIS 26 Ca 0.03 0.44 0.08 0.00 -0.80 0.00 0.00 55.06 54.81 1wgq s HIS 26 Cb -0.16 -4.28 -0.03 0.00 -1.43 0.00 0.00 32.58 26.68 1wgq s HIS 26 CO -0.16 -2.18 0.34 -0.51 -2.00 0.00 0.00 174.74 170.23 1wgq s LEU 27 N 7.93 3.39 -0.14 5.38 1.43 0.21 -4.75 118.68 132.14 1wgq s LEU 27 Ca 0.56 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1wgq s LEU 27 Cb -0.10 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1wgq s LEU 27 CO 0.16 -0.58 0.12 0.86 0.23 0.00 0.00 176.35 177.14 1wgq s TRP 28 N -2.46 3.49 0.02 0.29 -0.11 -1.22 -0.46 118.94 118.48 1wgq s TRP 28 Ca 0.46 0.42 0.01 0.00 1.22 0.00 0.00 56.10 58.21 1wgq s TRP 28 Cb -0.03 -1.98 -0.01 0.00 -1.50 0.00 0.00 33.47 29.95 1wgq s TRP 28 CO 0.27 0.57 -0.04 -0.06 -4.62 0.00 0.00 176.95 173.06 1wgq s PHE 29 N -0.60 0.37 -0.05 5.86 0.08 -1.24 -0.10 117.98 122.31 1wgq s PHE 29 Ca 0.12 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1wgq s PHE 29 Cb -0.12 -0.24 0.03 0.00 -0.57 0.00 0.00 43.02 42.12 1wgq s PHE 29 CO 0.02 -0.08 0.02 0.08 -0.10 0.00 0.00 175.22 175.16 1wgq s VAL 30 N -0.84 0.16 -0.86 -0.44 1.01 -0.82 -3.56 120.40 115.04 1wgq s VAL 30 Ca -0.07 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1wgq s VAL 30 Cb -0.06 -0.32 0.11 0.00 0.00 0.00 0.00 36.38 36.11 1wgq s VAL 30 CO -0.00 0.19 1.09 -0.63 0.00 0.00 0.00 175.10 175.76 1wgq s ILE 31 N 1.69 4.59 -0.06 2.22 1.01 -1.18 -1.34 121.20 128.13 1wgq s ILE 31 Ca -0.00 -1.24 0.05 0.00 0.00 0.00 0.00 60.65 59.46 1wgq s ILE 31 Cb -0.13 -4.76 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 1wgq s ILE 31 CO -0.03 -1.51 -0.20 -0.75 0.00 0.00 0.00 174.94 172.45 1wgq s LYS 32 N 3.13 2.61 -1.29 2.79 2.20 -0.41 -4.36 119.74 124.41 1wgq s LYS 32 Ca 0.30 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1wgq s LYS 32 Cb -0.08 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1wgq s LYS 32 CO -0.05 0.46 0.07 -1.71 -0.36 0.00 0.00 175.35 173.76 1wgq n ASN 33 N 2.77 -4.54 -1.29 1.43 2.85 -1.26 0.15 115.26 115.37 1wgq n ASN 33 Ca -0.17 0.07 -0.15 0.00 -0.11 0.00 0.00 54.58 54.22 1wgq n ASN 33 Cb 0.52 -3.81 -0.05 0.00 1.24 0.00 0.00 39.78 37.68 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 -2.99 -1.07 -4.67 1.20 4.01 -1.26 -4.92 118.16 108.45 1wgq n LYS 34 Ca -0.16 0.95 -0.33 0.00 -0.51 0.00 0.00 58.31 58.25 1wgq n LYS 34 Cb 0.63 -5.13 -0.15 0.00 -0.51 0.00 0.00 35.03 29.87 1wgq n LYS 34 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wgq s VAL 35 N -2.60 2.74 -0.81 -0.18 1.01 0.39 -0.40 120.40 120.56 1wgq s VAL 35 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1wgq s VAL 35 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1wgq s VAL 35 CO 0.00 0.52 1.25 -0.22 0.00 0.00 0.00 175.10 176.65 1wgq s LEU 36 N 0.62 3.60 0.00 3.92 1.98 0.30 -1.29 118.68 127.81 1wgq s LEU 36 Ca -0.08 -0.91 -0.24 0.00 -2.89 0.00 0.00 54.13 50.01 1wgq s LEU 36 Cb -0.16 -2.53 -0.05 0.00 0.66 0.00 0.00 46.19 44.12 1wgq s LEU 36 CO 0.03 -1.63 0.73 -0.31 -1.89 0.00 0.00 176.35 173.28 1wgq s TYR 37 N 5.04 3.68 0.26 5.38 2.02 -0.45 -2.82 117.35 130.45 1wgq s TYR 37 Ca 0.35 1.38 -0.12 0.00 -0.37 0.00 0.00 57.07 58.31 1wgq s TYR 37 Cb -0.07 -2.80 -0.08 0.00 -0.40 0.00 0.00 41.96 38.61 1wgq s TYR 37 CO 0.06 0.22 0.62 0.99 -1.57 0.00 0.00 175.55 175.87 1wgq s THR 38 N 0.22 4.84 0.09 -0.71 2.01 0.83 -1.94 115.64 120.98 1wgq s THR 38 Ca 0.38 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 1wgq s THR 38 Cb -0.19 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1wgq s THR 38 CO 0.21 -0.10 0.13 -1.22 -0.69 0.00 0.00 174.62 172.95 1wgq n TYR 39 N -0.19 -0.75 0.00 4.92 4.01 0.86 0.56 117.16 126.57 1wgq n TYR 39 Ca 0.01 -0.60 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 1wgq n TYR 39 Cb 0.53 0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 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 -2.40 2.58 -2.51 -0.72 0.00 -1.26 -3.43 120.51 112.76 1wgq n ALA 40 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1wgq n ALA 40 Cb 0.15 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.76 3.69 0.07 0.00 0.00 -1.26 -4.39 121.76 118.11 1wgq s ALA 41 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 1wgq s ALA 41 Cb 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 23.12 22.73 1wgq s ALA 41 CO 0.00 -0.17 1.60 1.03 0.00 0.00 0.00 175.76 178.22 1wgq h SER 42 N 1.40 0.12 -2.29 0.00 0.87 -1.99 -3.27 113.55 108.39 1wgq h SER 42 Ca -0.42 -0.17 -0.64 0.00 -1.23 0.00 0.00 61.79 59.33 1wgq h SER 42 Cb 1.27 -0.03 -0.39 0.00 -0.44 0.00 0.00 62.40 62.80 1wgq h SER 42 CO 0.71 0.26 -0.30 -0.62 -0.53 0.00 0.00 176.83 176.35 1wgq n GLU 43 N -4.93 3.55 -2.25 2.24 1.02 -1.26 -5.06 120.64 113.96 1wgq n GLU 43 Ca -0.06 -4.80 -0.39 0.00 -0.02 0.00 0.00 57.16 51.89 1wgq n GLU 43 Cb 0.12 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.23 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 -2.92 6.61 0.55 1.62 -1.08 -1.23 -4.87 116.67 115.34 1wgq s ASP 44 Ca 0.45 2.44 0.29 0.00 -0.52 0.00 0.00 52.55 55.22 1wgq s ASP 44 Cb 0.24 -2.62 1.46 0.00 -1.46 0.00 0.00 42.92 40.53 1wgq s ASP 44 CO -0.11 -0.62 1.92 -0.37 0.52 0.00 0.00 175.17 176.51 1wgq h VAL 45 N 2.55 0.56 -2.71 1.11 -1.51 -1.97 -3.44 116.25 110.85 1wgq h VAL 45 Ca -0.49 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.08 1wgq h VAL 45 Cb 1.23 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 1wgq h VAL 45 CO 0.63 0.00 0.41 0.00 -1.23 0.00 0.00 177.57 177.39 1wgq s ALA 46 N -4.92 -1.27 0.24 5.19 0.00 -1.26 -5.16 121.76 114.58 1wgq s ALA 46 Ca -0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 1wgq s ALA 46 Cb 0.20 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.96 1wgq s ALA 46 CO 0.72 -1.03 0.70 0.00 0.00 0.00 0.00 175.76 176.14 1wgq s ALA 47 N -2.70 3.42 0.15 0.00 0.00 -1.26 -4.78 121.76 116.58 1wgq s ALA 47 Ca 0.16 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 1wgq s ALA 47 Cb -0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1wgq s ALA 47 CO 0.07 0.35 1.43 -0.07 0.00 0.00 0.00 175.76 177.54 1wgq h LEU 48 N 3.11 0.79 -8.11 0.00 3.38 -0.19 -3.47 115.31 110.81 1wgq h LEU 48 Ca -0.48 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 56.99 1wgq h LEU 48 Cb 1.19 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 1wgq h LEU 48 CO 0.65 1.21 -0.11 -1.61 0.09 0.00 0.00 178.44 178.67 1wgq s GLU 49 N -3.95 1.47 -0.01 1.13 0.41 -1.22 -4.97 118.70 111.57 1wgq s GLU 49 Ca -0.09 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 1wgq s GLU 49 Cb 0.10 0.47 0.01 0.00 -1.78 0.00 0.00 34.13 32.93 1wgq s GLU 49 CO 0.87 -0.61 -0.00 -1.54 -0.49 0.00 0.00 175.26 173.49 1wgq s SER 50 N -2.98 0.20 -0.23 -0.19 1.04 -1.26 -0.12 113.70 110.16 1wgq s SER 50 Ca 0.19 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1wgq s SER 50 Cb -0.00 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.13 1wgq s SER 50 CO 0.06 -0.03 0.54 -1.10 0.98 0.00 0.00 173.24 173.69 1wgq s GLN 51 N 0.34 0.53 0.02 4.02 -1.52 -1.13 -5.01 119.66 116.91 1wgq s GLN 51 Ca -0.03 1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 54.11 1wgq s GLN 51 Cb -0.05 0.14 -0.05 0.00 -0.22 0.00 0.00 33.01 32.83 1wgq s GLN 51 CO -0.01 -0.17 1.19 -1.25 -0.25 0.00 0.00 175.29 174.80 1wgq s PRO 52 N 1.71 4.42 0.16 2.91 0.04 -1.26 0.11 135.00 143.08 1wgq s PRO 52 Ca -0.09 1.71 0.18 0.00 0.04 0.00 0.00 61.00 62.85 1wgq s PRO 52 Cb -0.08 -3.43 0.80 0.00 0.04 0.00 0.00 34.50 31.83 1wgq s PRO 52 CO -0.16 -0.30 1.55 1.28 0.04 0.00 0.00 177.00 179.41 1wgq n LEU 53 N 4.35 0.38 -4.72 -3.56 4.77 0.47 -4.63 117.00 114.06 1wgq n LEU 53 Ca 0.09 0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 56.27 1wgq n LEU 53 Cb 0.47 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1wgq n LEU 53 CO 0.55 -0.52 1.18 -0.22 -1.33 0.00 0.00 177.39 177.05 1wgq s LEU 54 N -3.88 4.37 0.00 2.23 0.20 -1.25 -1.75 118.68 118.60 1wgq s LEU 54 Ca 0.04 2.54 0.00 0.00 0.69 0.00 0.00 54.13 57.40 1wgq s LEU 54 Cb 0.08 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 1wgq s LEU 54 CO 0.28 -0.77 0.00 0.61 -0.29 0.00 0.00 176.35 176.18 1wgq n GLY 55 N 3.58 3.02 2.90 7.98 0.00 -1.26 -5.02 105.19 116.40 1wgq n GLY 55 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.66 -3.78 -3.95 1.61 3.01 -0.72 -3.65 117.46 109.32 1wgq n PHE 56 Ca 0.00 -0.98 -0.11 0.00 1.01 0.00 0.00 57.45 57.37 1wgq n PHE 56 Cb 0.00 -0.72 -0.02 0.00 -0.01 0.00 0.00 39.48 38.73 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 -2.97 0.00 0.05 4.37 2.01 0.49 -4.75 115.64 114.84 1wgq s THR 57 Ca 0.55 -1.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 1wgq s THR 57 Cb -0.02 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1wgq s THR 57 CO 0.38 0.00 0.14 -0.69 -0.69 0.00 0.00 174.62 173.76 1wgq s VAL 58 N -2.99 0.13 0.05 3.82 1.01 -1.26 -0.10 120.40 121.05 1wgq s VAL 58 Ca 0.22 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 1wgq s VAL 58 Cb -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.43 1wgq s VAL 58 CO 0.14 -0.59 0.71 0.28 0.00 0.00 0.00 175.10 175.65 1wgq s THR 59 N -2.87 0.00 0.26 3.92 -1.32 -1.03 -4.90 115.64 109.71 1wgq s THR 59 Ca -0.03 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.23 1wgq s THR 59 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1wgq s THR 59 CO -0.06 0.00 0.82 -0.22 -2.21 0.00 0.00 174.62 172.95 1wgq s LEU 60 N -2.21 4.35 0.06 9.08 1.98 -1.26 -1.09 118.68 129.58 1wgq s LEU 60 Ca -0.01 1.60 0.09 0.00 -2.89 0.00 0.00 54.13 52.92 1wgq s LEU 60 Cb -0.01 -3.75 -0.03 0.00 0.66 0.00 0.00 46.19 43.06 1wgq s LEU 60 CO -0.06 -0.00 -0.25 0.54 -1.89 0.00 0.00 176.35 174.68 1wgq s VAL 61 N -1.55 2.07 -1.23 1.68 0.11 -0.98 -4.89 120.40 115.61 1wgq s VAL 61 Ca 0.46 -1.41 -0.10 0.00 -2.93 0.00 0.00 61.98 57.99 1wgq s VAL 61 Cb -0.18 -1.78 0.19 0.00 -1.53 0.00 0.00 36.38 33.08 1wgq s VAL 61 CO 0.22 0.29 1.66 0.29 -3.33 0.00 0.00 175.10 174.23 1wgq n LYS 62 N 1.65 3.63 -0.41 1.54 4.01 -1.26 -4.65 118.16 122.67 1wgq n LYS 62 Ca -0.17 -3.79 -0.21 0.00 -0.51 0.00 0.00 58.31 53.64 1wgq n LYS 62 Cb 0.52 -2.90 0.20 0.00 -0.51 0.00 0.00 35.03 32.34 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 4.10 -3.46 0.00 4.39 2.03 -1.24 -4.84 116.55 117.53 1wgq n ASP 63 Ca 0.37 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1wgq n ASP 63 Cb 0.38 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -3.18 0.00 -0.00 -0.67 2.13 -1.26 -4.32 120.64 113.33 1wgq n GLU 64 Ca 0.09 0.76 -0.01 0.00 0.66 0.00 0.00 57.16 58.67 1wgq n GLU 64 Cb 0.41 -1.20 -0.00 0.00 0.27 0.00 0.00 31.44 30.91 1wgq n GLU 64 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1wgq n ASN 65 N -2.34 3.77 -4.32 4.31 0.23 -1.26 -4.99 115.26 110.65 1wgq n ASN 65 Ca 0.00 -0.00 -0.45 0.00 -0.53 0.00 0.00 54.58 53.60 1wgq n ASN 65 Cb 0.00 -0.01 -0.14 0.00 -2.08 0.00 0.00 39.78 37.55 1wgq n ASN 65 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1wgq n SER 66 N -2.55 0.40 0.00 0.53 7.64 -1.26 -4.83 113.62 113.55 1wgq n SER 66 Ca -0.01 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wgq n SER 66 Cb 0.51 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1wgq n SER 66 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wgq n GLU 67 N 8.02 0.00 -3.46 1.43 1.02 -1.26 -3.63 120.64 122.76 1wgq n GLU 67 Ca 0.62 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.49 1wgq n GLU 67 Cb 0.01 -0.21 -0.09 0.00 -0.02 0.00 0.00 31.44 31.14 1wgq n GLU 67 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wgq n SER 68 N 0.00 2.81 0.00 1.62 7.64 -1.26 -4.45 113.62 119.98 1wgq n SER 68 Ca 0.00 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1wgq n SER 68 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1wgq n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 69 N 1.23 0.82 -3.97 1.43 5.02 -1.26 -4.47 118.16 116.96 1wgq n LYS 69 Ca 0.27 -0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 55.69 1wgq n LYS 69 Cb 0.42 -0.74 -0.14 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.33 0.15 0.23 -0.18 0.11 -1.26 0.80 120.40 119.92 1wgq s VAL 70 Ca 0.00 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1wgq s VAL 70 Cb 0.00 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1wgq s VAL 70 CO 0.00 -0.06 0.09 0.72 -3.33 0.00 0.00 175.10 172.51 1wgq s PHE 71 N -0.32 1.39 0.12 1.54 -0.71 0.29 -2.32 117.98 117.97 1wgq s PHE 71 Ca -0.02 -1.20 0.09 0.00 -1.04 0.00 0.00 56.93 54.76 1wgq s PHE 71 Cb -0.03 -0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 1wgq s PHE 71 CO -0.00 -0.39 -0.23 -0.65 -1.34 0.00 0.00 175.22 172.61 1wgq s GLN 72 N -4.04 1.25 -0.67 1.99 -0.21 -0.25 0.11 119.66 117.83 1wgq s GLN 72 Ca 0.36 -1.26 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 1wgq s GLN 72 Cb 0.07 -1.61 0.15 0.00 1.00 0.00 0.00 33.01 32.63 1wgq s GLN 72 CO 0.11 0.37 0.68 -1.17 -2.12 0.00 0.00 175.29 173.17 1wgq s LEU 73 N -2.03 6.07 0.41 2.90 2.96 0.30 -2.47 118.68 126.83 1wgq s LEU 73 Ca 0.10 -1.99 -0.22 0.00 -0.22 0.00 0.00 54.13 51.80 1wgq s LEU 73 Cb -0.10 -2.25 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 1wgq s LEU 73 CO 0.05 -0.86 0.97 -0.76 -1.32 0.00 0.00 176.35 174.44 1wgq s LEU 74 N 1.54 4.04 -0.34 -0.68 1.43 0.85 0.17 118.68 125.69 1wgq s LEU 74 Ca 0.12 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1wgq s LEU 74 Cb -0.21 -4.39 0.12 0.00 0.03 0.00 0.00 46.19 41.74 1wgq s LEU 74 CO -0.01 -0.37 0.17 -2.28 0.23 0.00 0.00 176.35 174.09 1wgq s HIS 75 N -1.97 0.94 0.00 0.29 5.65 0.50 0.19 115.29 120.87 1wgq s HIS 75 Ca 0.60 -1.51 0.00 0.00 0.25 0.00 0.00 55.06 54.40 1wgq s HIS 75 Cb -0.13 -1.18 0.00 0.00 -1.18 0.00 0.00 32.58 30.08 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 4.51 0.00 0.00 2.88 5.02 -1.24 -3.06 118.16 126.27 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 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.35 3.85 0.72 0.00 -1.26 -5.12 105.19 102.74 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 3.79 0.27 1.61 -1.94 -1.17 -4.98 119.30 116.88 1wgq s MET 78 Ca 0.00 0.25 -0.29 0.00 -1.71 0.00 0.00 55.69 53.94 1wgq s MET 78 Cb 0.00 -3.15 -0.10 0.00 2.01 0.00 0.00 34.83 33.59 1wgq s MET 78 CO 0.00 0.67 1.27 0.08 -0.01 0.00 0.00 175.02 177.03 1wgq s VAL 79 N -1.17 3.04 -0.17 -6.03 1.01 -1.26 0.19 120.40 116.01 1wgq s VAL 79 Ca 0.25 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 1wgq s VAL 79 Cb -0.15 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1wgq s VAL 79 CO 0.13 0.20 -0.18 0.33 0.00 0.00 0.00 175.10 175.58 1wgq n PHE 80 N 1.60 0.00 -3.49 5.22 7.35 0.44 -4.83 117.46 123.76 1wgq n PHE 80 Ca 0.02 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.59 1wgq n PHE 80 Cb 0.43 -0.65 -0.03 0.00 0.35 0.00 0.00 39.48 39.57 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 -2.34 -0.50 0.16 -5.13 2.02 -1.20 -4.96 117.35 105.40 1wgq s TYR 81 Ca -0.24 0.54 0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1wgq s TYR 81 Cb 0.07 0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 42.10 1wgq s TYR 81 CO 0.37 -0.65 0.30 0.08 -1.57 0.00 0.00 175.55 174.08 1wgq s VAL 82 N -2.59 5.31 -0.12 0.71 1.01 -0.96 0.11 120.40 123.86 1wgq s VAL 82 Ca -0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1wgq s VAL 82 Cb -0.01 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1wgq s VAL 82 CO -0.04 -0.13 0.30 -0.36 0.00 0.00 0.00 175.10 174.87 1wgq s PHE 83 N -1.78 -0.40 0.02 5.22 0.08 0.29 -2.46 117.98 118.96 1wgq s PHE 83 Ca 0.34 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.34 1wgq s PHE 83 Cb -0.11 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 1wgq s PHE 83 CO 0.29 -0.24 -0.07 0.21 -0.10 0.00 0.00 175.22 175.30 1wgq s LYS 84 N 1.04 2.49 0.19 0.44 2.20 -0.97 0.10 119.74 125.24 1wgq s LYS 84 Ca -0.07 -0.77 0.09 0.00 -0.36 0.00 0.00 55.97 54.86 1wgq s LYS 84 Cb -0.08 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 1wgq s LYS 84 CO -0.08 0.59 -0.10 0.00 -0.36 0.00 0.00 175.35 175.40 1wgq s ALA 85 N -1.04 2.94 0.03 3.13 0.00 0.24 -3.71 121.76 123.34 1wgq s ALA 85 Ca 0.18 -1.50 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1wgq s ALA 85 Cb -0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1wgq s ALA 85 CO 0.09 0.45 1.12 -0.44 0.00 0.00 0.00 175.76 176.97 1wgq h ASP 86 N 2.83 -0.40 -2.87 0.00 5.19 -1.91 -3.45 116.42 115.81 1wgq h ASP 86 Ca -0.46 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1wgq h ASP 86 Cb 1.21 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1wgq h ASP 86 CO 0.54 -0.09 0.00 -0.90 -3.12 0.00 0.00 179.24 175.67 1wgq n ASP 87 N -3.27 1.99 -0.05 6.45 5.75 -1.26 -5.03 116.55 121.13 1wgq n ASP 87 Ca -0.01 -0.93 -0.14 0.00 -0.01 0.00 0.00 54.79 53.69 1wgq n ASP 87 Cb 0.08 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.09 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wgq h ALA 88 N 1.00 0.23 -0.13 2.12 0.00 -1.87 -2.62 119.26 117.98 1wgq h ALA 88 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1wgq h ALA 88 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1wgq h ALA 88 CO 0.00 0.27 -0.29 0.45 0.00 0.00 0.00 179.25 179.68 1wgq h HIS 89 N 0.09 -0.80 0.06 0.00 3.86 -1.97 -1.46 115.15 114.93 1wgq h HIS 89 Ca 0.00 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1wgq h HIS 89 Cb 0.92 0.37 -0.05 0.00 1.06 0.00 0.00 27.41 29.71 1wgq h HIS 89 CO 0.10 -0.37 -0.44 0.77 0.86 0.00 0.00 177.93 178.85 1wgq h SER 90 N -0.36 -1.31 -0.96 2.45 0.02 -1.95 -1.70 113.55 109.72 1wgq h SER 90 Ca 0.10 0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.31 1wgq h SER 90 Cb 0.52 0.50 -0.13 0.00 0.14 0.00 0.00 62.40 63.43 1wgq h SER 90 CO -0.34 -0.48 -0.52 0.74 -1.14 0.00 0.00 176.83 175.09 1wgq h THR 91 N -0.63 0.00 -0.50 -2.27 2.02 -1.03 0.44 112.91 110.94 1wgq h THR 91 Ca 0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 1wgq h THR 91 Cb 0.68 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.99 1wgq h THR 91 CO -0.29 0.00 -0.19 1.56 0.37 0.00 0.00 175.52 176.97 1wgq h GLN 92 N -0.02 -0.08 -0.15 6.66 1.08 -0.73 1.23 115.11 123.09 1wgq h GLN 92 Ca 0.22 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.47 1wgq h GLN 92 Cb 0.48 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 1wgq h GLN 92 CO -0.94 -0.05 -0.27 0.00 -0.95 0.00 0.00 178.83 176.62 1wgq h ARG 93 N -0.08 -0.32 0.11 1.46 3.08 0.63 0.59 114.38 119.85 1wgq h ARG 93 Ca 0.24 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1wgq h ARG 93 Cb 0.45 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1wgq h ARG 93 CO -0.56 -0.21 -0.06 -1.49 -1.07 0.00 0.00 179.97 176.58 1wgq h TRP 94 N -0.33 -0.15 -0.05 3.04 4.06 0.48 0.92 115.95 123.91 1wgq h TRP 94 Ca 0.10 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.06 1wgq h TRP 94 Cb 0.49 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1wgq h TRP 94 CO -0.38 -0.09 -0.11 0.82 -3.56 0.00 0.00 178.44 175.12 1wgq h ILE 95 N -0.16 0.00 -0.73 1.49 2.04 0.23 1.38 117.51 121.76 1wgq h ILE 95 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1wgq h ILE 95 Cb 0.13 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.12 1wgq h ILE 95 CO 0.02 0.00 0.32 -0.78 0.00 0.00 0.00 178.15 177.71 1wgq h ASP 96 N -0.10 0.35 -0.38 1.72 1.82 0.23 0.82 116.42 120.88 1wgq h ASP 96 Ca 0.01 0.09 0.09 0.00 -0.39 0.00 0.00 57.03 56.83 1wgq h ASP 96 Cb 0.13 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1wgq h ASP 96 CO -0.10 0.17 0.27 0.00 -1.61 0.00 0.00 179.24 177.97 1wgq h ALA 97 N 1.49 2.22 0.00 -0.78 0.00 0.22 0.92 119.26 123.34 1wgq h ALA 97 Ca 0.38 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1wgq h ALA 97 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1wgq h ALA 97 CO -0.34 -0.32 -1.27 0.74 0.00 0.00 0.00 179.25 178.06 1wgq h PHE 98 N 0.10 0.00 0.04 0.00 0.04 0.74 -3.15 116.94 114.70 1wgq h PHE 98 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1wgq h PHE 98 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1wgq h PHE 98 CO -0.00 0.73 -0.02 1.96 -0.60 0.00 0.00 178.31 180.39 1wgq h GLN 99 N 0.00 -0.05 -0.47 1.51 1.08 0.27 -2.85 115.11 114.61 1wgq h GLN 99 Ca -0.14 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1wgq h GLN 99 Cb 1.69 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.10 1wgq h GLN 99 CO 0.07 0.57 0.32 1.49 -0.95 0.00 0.00 178.83 180.33 1wgq h GLU 100 N -0.94 0.23 0.06 1.46 4.81 0.57 -0.34 114.58 120.43 1wgq h GLU 100 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1wgq h GLU 100 Cb 0.64 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1wgq h GLU 100 CO 0.01 0.15 -0.03 0.78 -0.73 0.00 0.00 179.01 179.19 1wgq h GLY 101 N 0.24 -0.09 1.04 1.92 0.00 -1.61 -3.11 103.07 101.46 1wgq h GLY 101 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1wgq h GLY 101 CO -0.04 -0.03 0.60 -0.91 0.00 0.00 0.00 176.54 176.16 1wgq h THR 102 N -0.41 1.25 -2.18 4.70 1.35 -1.09 -3.41 112.91 113.11 1wgq h THR 102 Ca -0.01 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1wgq h THR 102 Cb 0.36 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1wgq h THR 102 CO 0.01 0.26 0.00 1.33 -0.25 0.00 0.00 175.52 176.87 1wgq n VAL 103 N -4.37 0.00 -1.93 6.82 0.24 -0.22 -4.26 118.33 114.61 1wgq n VAL 103 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1wgq n VAL 103 Cb 0.04 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 30.78 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 -1.33 0.00 0.00 -1.34 2.88 -1.26 -4.89 113.62 107.68 1wgq n SER 104 Ca 0.00 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.96 1wgq n SER 104 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.77 3.56 0.46 0.00 -1.26 -4.83 105.19 101.36 1wgq n GLY 105 Ca 0.00 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.10 0.10 1.61 0.04 -1.26 -4.90 135.00 133.70 1wgq s PRO 106 Ca 0.00 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.19 1wgq s PRO 106 Cb 0.00 -4.21 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 1wgq s PRO 106 CO 0.00 -2.19 1.41 1.03 0.04 0.00 0.00 177.00 177.29 1wgq h SER 107 N 11.95 -1.45 -4.40 6.66 0.87 -2.05 -3.43 113.55 121.70 1wgq h SER 107 Ca -0.27 0.20 -0.31 0.00 -1.23 0.00 0.00 61.79 60.18 1wgq h SER 107 Cb 1.11 0.60 -0.15 0.00 -0.44 0.00 0.00 62.40 63.52 1wgq h SER 107 CO 1.20 -0.27 -0.66 -0.55 -0.53 0.00 0.00 176.83 176.02 1wgq s SER 108 N -4.55 1.31 0.00 6.23 0.15 -1.26 -5.23 113.70 110.35 1wgq s SER 108 Ca -0.10 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1wgq s SER 108 Cb 0.07 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wgq s SER 108 CO 0.46 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.94