#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 0.24 -2.94 1.61 7.64 -1.26 -5.11 113.62 113.80 1wgq n SER 2 Ca 0.00 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 60.18 1wgq n SER 2 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1wgq n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgq n SER 3 N -3.35 -7.36 0.00 6.43 2.88 -1.26 -5.01 113.62 105.96 1wgq n SER 3 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1wgq n SER 3 Cb 0.03 -3.58 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1wgq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgq n GLY 4 N 0.98 2.07 5.26 0.46 0.00 -1.26 -5.04 105.19 107.66 1wgq n GLY 4 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.07 1.61 7.64 -1.26 -4.75 113.62 114.80 1wgq n SER 5 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1wgq n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wgq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgq n SER 6 N 2.39 -4.56 0.00 6.43 7.64 -1.26 -5.07 113.62 119.19 1wgq n SER 6 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1wgq n SER 6 Cb 0.00 -2.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 1wgq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgq n GLY 7 N -0.27 3.47 3.72 0.23 0.00 -1.26 -5.15 105.19 105.92 1wgq n GLY 7 Ca 0.04 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 2.00 4.05 0.10 1.61 0.01 -1.26 -4.93 113.70 115.27 1wgq s SER 8 Ca 0.00 2.32 -0.33 0.00 1.31 0.00 0.00 55.95 59.24 1wgq s SER 8 Cb 0.00 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.51 1wgq s SER 8 CO 0.00 -2.36 1.53 0.74 0.41 0.00 0.00 173.24 173.56 1wgq h THR 9 N -0.52 0.00 -3.81 1.44 2.02 -1.96 -3.42 112.91 106.66 1wgq h THR 9 Ca -0.47 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.32 1wgq h THR 9 Cb 1.29 0.00 -0.31 0.00 -1.74 0.00 0.00 68.15 67.39 1wgq h THR 9 CO 0.49 0.00 -0.77 -0.32 0.37 0.00 0.00 175.52 175.28 1wgq s MET 10 N -5.64 0.76 -0.29 6.66 0.00 -1.26 -5.03 119.30 114.50 1wgq s MET 10 Ca -0.16 -0.24 -0.19 0.00 0.00 0.00 0.00 55.69 55.11 1wgq s MET 10 Cb 0.06 -0.74 0.16 0.00 0.00 0.00 0.00 34.83 34.31 1wgq s MET 10 CO 0.58 0.09 1.12 -1.54 0.00 0.00 0.00 175.02 175.27 1wgq s SER 11 N 0.19 -0.33 0.00 1.11 1.04 -1.26 -2.76 113.70 111.70 1wgq s SER 11 Ca -0.03 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1wgq s SER 11 Cb -0.07 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1wgq s SER 11 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wgq n GLY 12 N 3.00 3.38 3.71 7.32 0.00 -1.21 -5.06 105.19 116.34 1wgq n GLY 12 Ca -0.16 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.90 2.68 -4.15 1.61 4.01 -1.26 -3.80 117.16 115.35 1wgq n TYR 13 Ca 0.00 0.13 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 1wgq n TYR 13 Cb 0.00 -2.63 -0.12 0.00 -0.31 0.00 0.00 39.34 36.27 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 0.79 2.23 -0.47 7.72 1.43 0.47 -4.81 118.68 126.04 1wgq s LEU 14 Ca 0.73 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 1wgq s LEU 14 Cb -0.53 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1wgq s LEU 14 CO 0.37 -0.10 0.53 -0.31 0.23 0.00 0.00 176.35 177.07 1wgq s TYR 15 N -1.16 3.12 -0.16 0.29 2.02 -1.25 -1.77 117.35 118.44 1wgq s TYR 15 Ca -0.04 -0.49 -0.19 0.00 -0.37 0.00 0.00 57.07 55.97 1wgq s TYR 15 Cb -0.09 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.19 1wgq s TYR 15 CO 0.01 -0.87 0.54 0.50 -1.57 0.00 0.00 175.55 174.16 1wgq s ARG 16 N 2.34 4.26 0.41 -0.62 3.52 0.44 -2.95 118.95 126.35 1wgq s ARG 16 Ca 0.13 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1wgq s ARG 16 Cb -0.19 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1wgq s ARG 16 CO 0.12 -0.05 0.11 -1.54 -0.81 0.00 0.00 175.30 173.13 1wgq s SER 17 N 0.97 2.85 -0.25 -2.12 1.04 -1.13 -0.35 113.70 114.71 1wgq s SER 17 Ca 0.27 -1.64 0.09 0.00 0.48 0.00 0.00 55.95 55.14 1wgq s SER 17 Cb -0.16 0.45 0.44 0.00 0.10 0.00 0.00 66.02 66.86 1wgq s SER 17 CO 0.11 -0.90 1.20 0.29 0.98 0.00 0.00 173.24 174.92 1wgq n LYS 18 N -0.92 2.71 -0.20 4.02 4.76 -1.26 -2.05 118.16 125.23 1wgq n LYS 18 Ca -0.07 -3.78 0.00 0.00 -2.87 0.00 0.00 58.31 51.60 1wgq n LYS 18 Cb 0.65 -1.97 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 -0.86 0.90 0.08 0.72 0.00 -1.26 -4.75 105.19 100.02 1wgq n GLY 19 Ca 0.33 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 0.81 1.83 0.00 1.61 7.64 -1.26 -4.11 113.62 120.14 1wgq n SER 20 Ca 0.00 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.52 1wgq n SER 20 Cb 0.00 -0.88 0.35 0.00 -1.01 0.00 0.00 64.21 62.67 1wgq n SER 20 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wgq n LYS 21 N -4.56 0.14 -2.28 1.43 5.02 -1.26 -4.73 118.16 111.93 1wgq n LYS 21 Ca -0.14 0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1wgq n LYS 21 Cb 0.38 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.71 3.86 0.67 1.97 -0.14 -1.26 -5.05 119.74 117.08 1wgq s LYS 22 Ca 0.12 0.89 -0.12 0.00 -1.36 0.00 0.00 55.97 55.50 1wgq s LYS 22 Cb 0.10 -2.13 -0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1wgq s LYS 22 CO 0.24 -0.34 1.06 -1.25 -0.76 0.00 0.00 175.35 174.29 1wgq s PRO 23 N -4.35 3.04 0.24 -1.68 0.04 -1.26 -4.79 135.00 126.24 1wgq s PRO 23 Ca 0.58 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1wgq s PRO 23 Cb -0.10 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1wgq s PRO 23 CO 0.37 -1.02 0.39 -1.58 0.04 0.00 0.00 177.00 175.21 1wgq s TRP 24 N -2.92 3.47 -0.08 0.56 0.52 -1.26 -4.08 118.94 115.15 1wgq s TRP 24 Ca 0.59 0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.86 1wgq s TRP 24 Cb -0.14 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1wgq s TRP 24 CO 0.51 0.37 -0.02 0.15 0.02 0.00 0.00 176.95 177.98 1wgq s LYS 25 N -3.78 0.83 -0.28 4.98 1.02 0.52 -4.92 119.74 118.11 1wgq s LYS 25 Ca 0.36 0.01 -0.29 0.00 0.02 0.00 0.00 55.97 56.07 1wgq s LYS 25 Cb -0.10 -1.10 -0.00 0.00 -0.52 0.00 0.00 37.83 36.11 1wgq s LYS 25 CO 0.30 -0.28 1.29 -1.58 -0.92 0.00 0.00 175.35 174.17 1wgq s HIS 26 N 1.84 2.71 0.22 3.18 5.65 -1.26 -0.42 115.29 127.21 1wgq s HIS 26 Ca 0.04 0.90 -0.07 0.00 0.25 0.00 0.00 55.06 56.18 1wgq s HIS 26 Cb -0.12 -3.84 -0.02 0.00 -1.18 0.00 0.00 32.58 27.41 1wgq s HIS 26 CO -0.06 -1.70 0.30 -0.51 -0.65 0.00 0.00 174.74 172.13 1wgq s LEU 27 N 4.24 0.75 0.01 8.88 1.43 -0.73 -4.99 118.68 128.27 1wgq s LEU 27 Ca 0.56 -1.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1wgq s LEU 27 Cb -0.17 1.07 -0.03 0.00 0.03 0.00 0.00 46.19 47.08 1wgq s LEU 27 CO 0.22 -0.99 -0.17 0.86 0.23 0.00 0.00 176.35 176.50 1wgq s TRP 28 N -4.09 2.60 0.07 0.29 -0.11 -1.12 -0.39 118.94 116.19 1wgq s TRP 28 Ca 0.31 -0.23 -0.01 0.00 1.22 0.00 0.00 56.10 57.39 1wgq s TRP 28 Cb 0.03 -1.52 -0.04 0.00 -1.50 0.00 0.00 33.47 30.44 1wgq s TRP 28 CO 0.10 0.22 -0.02 -0.06 -4.62 0.00 0.00 176.95 172.57 1wgq s PHE 29 N -0.85 0.63 0.16 5.86 0.40 -1.25 0.67 117.98 123.60 1wgq s PHE 29 Ca 0.14 -1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 55.26 1wgq s PHE 29 Cb -0.11 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.01 1wgq s PHE 29 CO 0.04 -0.36 0.40 0.08 0.70 0.00 0.00 175.22 176.07 1wgq s VAL 30 N -3.88 0.06 -0.48 -0.44 1.01 -1.05 -3.30 120.40 112.32 1wgq s VAL 30 Ca 0.10 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1wgq s VAL 30 Cb 0.07 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 35.04 1wgq s VAL 30 CO -0.08 -0.26 0.26 -0.63 0.00 0.00 0.00 175.10 174.39 1wgq s ILE 31 N -3.89 1.91 0.00 2.22 1.01 -1.11 -1.99 121.20 119.35 1wgq s ILE 31 Ca 0.10 -2.94 0.00 0.00 0.00 0.00 0.00 60.65 57.81 1wgq s ILE 31 Cb 0.01 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1wgq s ILE 31 CO -0.05 -0.87 0.00 1.17 0.00 0.00 0.00 174.94 175.19 1wgq n LYS 32 N 3.29 0.00 -2.18 2.79 4.81 -1.09 -4.44 118.16 121.34 1wgq n LYS 32 Ca 0.08 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 1wgq n LYS 32 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 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 0.00 6.07 -1.42 3.14 2.85 -1.26 -4.51 115.26 120.13 1wgq n ASN 33 Ca 0.00 -3.10 -0.16 0.00 -0.11 0.00 0.00 54.58 51.21 1wgq n ASN 33 Cb 0.00 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 39.50 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 3.25 -1.41 -4.76 1.20 5.02 -1.26 -4.92 118.16 115.29 1wgq n LYS 34 Ca 0.48 0.98 -0.33 0.00 -2.02 0.00 0.00 58.31 57.42 1wgq n LYS 34 Cb 0.32 -5.29 -0.14 0.00 -0.02 0.00 0.00 35.03 29.91 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 -2.37 3.17 -0.74 -0.18 1.01 -1.26 -1.43 120.40 118.60 1wgq s VAL 35 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1wgq s VAL 35 Cb 0.00 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.14 1wgq s VAL 35 CO 0.00 0.54 1.06 -0.22 0.00 0.00 0.00 175.10 176.48 1wgq s LEU 36 N 0.09 4.30 0.03 3.92 1.98 0.41 -2.66 118.68 126.75 1wgq s LEU 36 Ca -0.05 -1.14 -0.22 0.00 -2.89 0.00 0.00 54.13 49.83 1wgq s LEU 36 Cb -0.15 -2.44 -0.06 0.00 0.66 0.00 0.00 46.19 44.21 1wgq s LEU 36 CO 0.04 -1.43 0.67 -0.31 -1.89 0.00 0.00 176.35 173.43 1wgq s TYR 37 N 4.08 3.73 0.06 5.38 2.02 -0.84 -2.11 117.35 129.67 1wgq s TYR 37 Ca 0.27 1.34 -0.17 0.00 -0.37 0.00 0.00 57.07 58.14 1wgq s TYR 37 Cb -0.13 -2.69 -0.06 0.00 -0.40 0.00 0.00 41.96 38.68 1wgq s TYR 37 CO 0.06 0.36 0.51 0.99 -1.57 0.00 0.00 175.55 175.90 1wgq s THR 38 N -0.30 4.85 0.05 -0.71 2.01 0.19 -2.53 115.64 119.21 1wgq s THR 38 Ca 0.34 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.38 1wgq s THR 38 Cb -0.20 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 1wgq s THR 38 CO 0.20 0.51 0.04 -1.22 -0.69 0.00 0.00 174.62 173.47 1wgq n TYR 39 N 1.59 -0.15 0.00 4.92 4.01 0.21 0.10 117.16 127.85 1wgq n TYR 39 Ca -0.11 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1wgq n TYR 39 Cb 0.51 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 -2.65 2.63 -2.72 -0.72 0.00 -1.26 -2.79 120.51 113.01 1wgq n ALA 40 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1wgq n ALA 40 Cb 0.09 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.72 3.40 0.19 0.00 0.00 -1.26 -4.19 121.76 118.19 1wgq s ALA 41 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 1wgq s ALA 41 Cb 0.00 -1.03 0.20 0.00 0.00 0.00 0.00 23.12 22.28 1wgq s ALA 41 CO 0.00 0.24 1.73 0.66 0.00 0.00 0.00 175.76 178.39 1wgq h SER 42 N 1.66 0.11 -2.20 0.00 4.64 -1.99 -2.98 113.55 112.79 1wgq h SER 42 Ca -0.46 0.07 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 1wgq h SER 42 Cb 1.24 0.08 -0.42 0.00 -0.31 0.00 0.00 62.40 62.99 1wgq h SER 42 CO 0.61 0.09 -0.67 -0.62 -0.87 0.00 0.00 176.83 175.36 1wgq n GLU 43 N -5.05 3.16 -1.99 4.77 1.02 -1.26 -5.03 120.64 116.25 1wgq n GLU 43 Ca 0.06 -4.77 -0.39 0.00 -0.02 0.00 0.00 57.16 52.04 1wgq n GLU 43 Cb 0.23 -2.21 0.01 0.00 -0.02 0.00 0.00 31.44 29.44 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 -3.44 6.05 0.46 1.62 -1.08 -1.13 -4.88 116.67 114.28 1wgq s ASP 44 Ca 0.48 2.67 0.13 0.00 -0.52 0.00 0.00 52.55 55.31 1wgq s ASP 44 Cb 0.29 -2.64 1.08 0.00 -1.46 0.00 0.00 42.92 40.20 1wgq s ASP 44 CO -0.14 -1.03 2.08 -0.37 0.52 0.00 0.00 175.17 176.23 1wgq h VAL 45 N 2.19 1.02 -3.39 1.11 -1.51 -1.98 -3.44 116.25 110.26 1wgq h VAL 45 Ca -0.50 -0.10 -0.04 0.00 -1.23 0.00 0.00 66.70 64.84 1wgq h VAL 45 Cb 1.26 0.71 -0.11 0.00 -2.13 0.00 0.00 31.29 31.02 1wgq h VAL 45 CO 0.61 0.05 -0.03 0.00 -1.23 0.00 0.00 177.57 176.97 1wgq s ALA 46 N -5.28 -0.83 0.29 5.19 0.00 -1.26 -5.16 121.76 114.71 1wgq s ALA 46 Ca -0.07 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1wgq s ALA 46 Cb 0.18 0.82 -0.09 0.00 0.00 0.00 0.00 23.12 24.03 1wgq s ALA 46 CO 0.71 -0.76 0.75 0.00 0.00 0.00 0.00 175.76 176.46 1wgq s ALA 47 N -3.87 3.33 0.10 0.00 0.00 -1.26 -4.79 121.76 115.28 1wgq s ALA 47 Ca 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 1wgq s ALA 47 Cb 0.00 -2.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1wgq s ALA 47 CO -0.04 0.32 1.39 -0.07 0.00 0.00 0.00 175.76 177.35 1wgq h LEU 48 N 2.67 0.85 -8.32 0.00 3.38 0.35 -3.47 115.31 110.77 1wgq h LEU 48 Ca -0.48 -0.53 -0.12 0.00 0.09 0.00 0.00 57.88 56.85 1wgq h LEU 48 Cb 1.18 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1wgq h LEU 48 CO 0.65 1.21 -0.17 -1.61 0.09 0.00 0.00 178.44 178.62 1wgq s GLU 49 N -4.15 1.61 -0.00 1.13 0.41 -1.18 -4.98 118.70 111.54 1wgq s GLU 49 Ca -0.12 -1.40 -0.01 0.00 -0.41 0.00 0.00 54.97 53.04 1wgq s GLU 49 Cb 0.09 0.45 -0.00 0.00 -1.78 0.00 0.00 34.13 32.89 1wgq s GLU 49 CO 0.86 -0.66 0.02 -1.54 -0.49 0.00 0.00 175.26 173.45 1wgq s SER 50 N -3.08 0.04 -0.27 -0.19 1.04 -1.26 0.56 113.70 110.55 1wgq s SER 50 Ca 0.25 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 1wgq s SER 50 Cb -0.00 0.08 0.10 0.00 0.10 0.00 0.00 66.02 66.29 1wgq s SER 50 CO 0.12 -0.10 0.62 -1.58 0.98 0.00 0.00 173.24 173.28 1wgq s GLN 51 N -0.42 0.60 0.09 4.02 2.00 -0.90 -4.98 119.66 120.07 1wgq s GLN 51 Ca -0.05 1.24 -0.30 0.00 -2.00 0.00 0.00 55.36 54.25 1wgq s GLN 51 Cb -0.03 0.38 -0.06 0.00 0.80 0.00 0.00 33.01 34.10 1wgq s GLN 51 CO -0.00 -0.18 1.15 -1.25 -0.50 0.00 0.00 175.29 174.52 1wgq s PRO 52 N 2.11 4.48 0.30 1.67 0.04 -1.26 0.15 135.00 142.50 1wgq s PRO 52 Ca -0.08 1.73 0.06 0.00 0.04 0.00 0.00 61.00 62.75 1wgq s PRO 52 Cb -0.08 -3.34 0.47 0.00 0.04 0.00 0.00 34.50 31.59 1wgq s PRO 52 CO -0.18 -0.15 1.72 -0.07 0.04 0.00 0.00 177.00 178.35 1wgq h LEU 53 N 6.34 0.31 -8.41 -3.56 3.38 -1.58 -3.43 115.31 108.36 1wgq h LEU 53 Ca -0.42 -0.12 -0.72 0.00 0.09 0.00 0.00 57.88 56.71 1wgq h LEU 53 Cb 1.21 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1wgq h LEU 53 CO 0.78 0.65 1.32 -0.11 0.09 0.00 0.00 178.44 181.17 1wgq n LEU 54 N -4.07 1.63 0.00 1.67 -0.00 -1.25 0.92 117.00 115.90 1wgq n LEU 54 Ca -0.01 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 1wgq n LEU 54 Cb 0.44 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 1wgq n LEU 54 CO 0.42 -0.72 0.00 0.61 -0.00 0.00 0.00 177.39 177.70 1wgq n GLY 55 N 6.63 2.83 1.11 -3.96 0.00 -1.26 -5.06 105.19 105.47 1wgq n GLY 55 Ca 0.45 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.38 -3.89 1.61 3.72 0.26 -4.37 117.46 111.41 1wgq n PHE 56 Ca 0.00 -0.32 -0.09 0.00 -0.05 0.00 0.00 57.45 56.99 1wgq n PHE 56 Cb 0.00 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.66 0.02 0.05 4.37 2.01 0.50 -4.79 115.64 116.14 1wgq s THR 57 Ca 0.22 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 1wgq s THR 57 Cb -0.02 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1wgq s THR 57 CO 0.17 -0.10 0.09 -0.69 -0.69 0.00 0.00 174.62 173.39 1wgq s VAL 58 N -3.95 0.15 -0.07 3.82 1.01 -1.26 0.51 120.40 120.61 1wgq s VAL 58 Ca 0.16 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1wgq s VAL 58 Cb -0.00 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1wgq s VAL 58 CO 0.03 -0.69 0.82 0.28 0.00 0.00 0.00 175.10 175.54 1wgq s THR 59 N -3.12 0.00 0.30 3.92 -1.32 -1.06 -4.88 115.64 109.49 1wgq s THR 59 Ca -0.01 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 1wgq s THR 59 Cb 0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 1wgq s THR 59 CO -0.07 0.00 1.03 -0.22 -2.21 0.00 0.00 174.62 173.15 1wgq s LEU 60 N -1.43 4.45 0.09 9.08 1.98 -1.26 -1.69 118.68 129.89 1wgq s LEU 60 Ca -0.05 2.08 0.08 0.00 -2.89 0.00 0.00 54.13 53.36 1wgq s LEU 60 Cb -0.00 -3.81 -0.03 0.00 0.66 0.00 0.00 46.19 43.00 1wgq s LEU 60 CO 0.03 -0.14 -0.22 0.54 -1.89 0.00 0.00 176.35 174.67 1wgq s VAL 61 N -1.35 1.80 -0.00 1.68 0.11 -1.13 -4.90 120.40 116.61 1wgq s VAL 61 Ca 0.48 -1.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1wgq s VAL 61 Cb -0.26 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1wgq s VAL 61 CO 0.33 0.06 0.37 0.11 -3.33 0.00 0.00 175.10 172.65 1wgq h LYS 62 N 4.33 -0.01 -1.58 1.54 1.57 -1.87 -3.40 116.57 117.16 1wgq h LYS 62 Ca -0.46 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1wgq h LYS 62 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1wgq h LYS 62 CO 0.41 -0.01 -0.51 -3.47 -0.57 0.00 0.00 179.45 175.30 1wgq n ASP 63 N -2.07 -3.54 0.09 0.86 2.03 -1.26 -2.95 116.55 109.71 1wgq n ASP 63 Ca -0.00 0.72 0.09 0.00 0.52 0.00 0.00 54.79 56.11 1wgq n ASP 63 Cb 0.00 -1.97 -0.02 0.00 -0.72 0.00 0.00 41.12 38.41 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 -2.61 0.61 -0.05 -0.67 0.28 -1.26 -4.16 120.64 112.78 1wgq n GLU 64 Ca -0.03 0.14 -0.17 0.00 -0.16 0.00 0.00 57.16 56.94 1wgq n GLU 64 Cb 0.27 -1.82 -0.13 0.00 1.43 0.00 0.00 31.44 31.19 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 0.12 -4.27 -1.84 -0.73 -1.99 -3.48 115.58 103.40 1wgq h ASN 65 Ca -0.04 -0.89 -0.35 0.00 1.87 0.00 0.00 56.30 56.90 1wgq h ASN 65 Cb 1.14 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 39.63 1wgq h ASN 65 CO 0.01 1.22 -0.23 -1.20 -0.37 0.00 0.00 177.43 176.86 1wgq n SER 66 N -4.42 2.55 0.00 1.15 7.64 -1.26 -5.08 113.62 114.20 1wgq n SER 66 Ca -0.16 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1wgq n SER 66 Cb 0.62 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1wgq n SER 66 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wgq n GLU 67 N -0.82 0.00 -1.83 1.43 0.28 -1.15 -4.07 120.64 114.48 1wgq n GLU 67 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.89 1wgq n GLU 67 Cb 0.34 -0.54 0.02 0.00 1.43 0.00 0.00 31.44 32.70 1wgq n GLU 67 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wgq n SER 68 N -2.30 -0.17 -0.10 -1.84 2.88 -1.26 -4.25 113.62 106.58 1wgq n SER 68 Ca 0.00 -2.06 0.06 0.00 -1.33 0.00 0.00 58.87 55.54 1wgq n SER 68 Cb 0.24 0.11 0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.35 1.45 -3.76 -1.46 5.02 -1.26 -4.76 118.16 113.04 1wgq n LYS 69 Ca -0.11 -2.04 -0.13 0.00 -2.02 0.00 0.00 58.31 54.01 1wgq n LYS 69 Cb 0.87 -1.22 -0.11 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 -1.96 0.01 0.38 -0.18 0.11 -1.26 0.18 120.40 117.68 1wgq s VAL 70 Ca 0.19 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1wgq s VAL 70 Cb 0.17 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1wgq s VAL 70 CO 0.02 -0.03 0.09 0.72 -3.33 0.00 0.00 175.10 172.57 1wgq s PHE 71 N 0.03 1.85 0.04 1.54 -0.71 0.21 -2.82 117.98 118.12 1wgq s PHE 71 Ca -0.01 -1.13 0.06 0.00 -1.04 0.00 0.00 56.93 54.80 1wgq s PHE 71 Cb -0.03 -1.23 -0.02 0.00 -1.21 0.00 0.00 43.02 40.53 1wgq s PHE 71 CO 0.01 -0.15 -0.17 -0.65 -1.34 0.00 0.00 175.22 172.92 1wgq s GLN 72 N -3.80 1.13 -0.65 1.99 -0.21 -0.68 -0.17 119.66 117.26 1wgq s GLN 72 Ca 0.28 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 1wgq s GLN 72 Cb 0.05 -1.19 0.12 0.00 1.00 0.00 0.00 33.01 32.99 1wgq s GLN 72 CO 0.14 0.30 0.74 -1.17 -2.12 0.00 0.00 175.29 173.18 1wgq s LEU 73 N -1.19 5.54 0.32 2.90 2.96 0.33 -2.55 118.68 126.99 1wgq s LEU 73 Ca 0.04 -1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 52.08 1wgq s LEU 73 Cb -0.08 -2.30 -0.10 0.00 0.50 0.00 0.00 46.19 44.21 1wgq s LEU 73 CO 0.02 -1.04 0.89 -0.76 -1.32 0.00 0.00 176.35 174.13 1wgq s LEU 74 N 2.38 4.25 -0.15 -0.68 1.43 0.18 0.18 118.68 126.27 1wgq s LEU 74 Ca 0.14 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1wgq s LEU 74 Cb -0.21 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.03 1wgq s LEU 74 CO 0.03 -0.11 0.05 -2.28 0.23 0.00 0.00 176.35 174.27 1wgq s HIS 75 N -1.72 0.54 0.00 0.29 5.65 0.52 0.19 115.29 120.76 1wgq s HIS 75 Ca 0.51 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.41 1wgq s HIS 75 Cb -0.16 -0.80 0.00 0.00 -1.18 0.00 0.00 32.58 30.44 1wgq s HIS 75 CO 0.21 -0.48 0.00 1.63 -0.65 0.00 0.00 174.74 175.45 1wgq n LYS 76 N 5.18 -0.99 0.00 2.88 5.02 -1.26 -1.06 118.16 127.93 1wgq n LYS 76 Ca -0.07 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1wgq n LYS 76 Cb 0.49 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 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 -0.89 0.81 3.24 0.72 0.00 -1.26 -5.09 105.19 102.71 1wgq n GLY 77 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.63 2.81 0.23 1.61 0.00 -0.23 -5.06 119.30 118.04 1wgq s MET 78 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 55.69 54.49 1wgq s MET 78 Cb 0.00 -2.22 -0.13 0.00 0.00 0.00 0.00 34.83 32.47 1wgq s MET 78 CO 0.00 0.26 1.42 0.28 0.00 0.00 0.00 175.02 176.98 1wgq n VAL 79 N 3.28 0.88 -0.04 10.11 0.31 -1.26 0.20 118.33 131.81 1wgq n VAL 79 Ca -0.18 -0.22 -0.04 0.00 -0.01 0.00 0.00 64.34 63.89 1wgq n VAL 79 Cb 0.53 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 1wgq n VAL 79 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1wgq n PHE 80 N 2.00 0.00 -3.55 3.52 7.35 0.48 -4.76 117.46 122.50 1wgq n PHE 80 Ca 0.12 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 1wgq n PHE 80 Cb 0.31 -0.38 -0.02 0.00 0.35 0.00 0.00 39.48 39.73 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 -2.19 -0.25 0.20 -5.13 2.02 -1.12 -4.98 117.35 105.90 1wgq s TYR 81 Ca -0.04 0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.93 1wgq s TYR 81 Cb 0.02 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 42.06 1wgq s TYR 81 CO 0.32 -0.37 0.13 0.08 -1.57 0.00 0.00 175.55 174.14 1wgq s VAL 82 N -2.54 4.30 -0.19 0.71 1.01 -0.87 0.12 120.40 122.95 1wgq s VAL 82 Ca 0.06 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1wgq s VAL 82 Cb -0.01 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.21 1wgq s VAL 82 CO -0.06 -0.21 0.41 -0.36 0.00 0.00 0.00 175.10 174.87 1wgq s PHE 83 N -1.93 -0.73 -0.01 5.22 0.08 0.76 -2.82 117.98 118.55 1wgq s PHE 83 Ca 0.31 1.44 -0.01 0.00 0.12 0.00 0.00 56.93 58.78 1wgq s PHE 83 Cb -0.09 0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.60 1wgq s PHE 83 CO 0.23 -0.44 0.12 0.21 -0.10 0.00 0.00 175.22 175.24 1wgq s LYS 84 N 2.30 3.21 0.22 0.44 2.20 -1.15 0.63 119.74 127.59 1wgq s LYS 84 Ca -0.03 -0.41 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1wgq s LYS 84 Cb -0.11 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1wgq s LYS 84 CO -0.13 0.66 0.16 0.00 -0.36 0.00 0.00 175.35 175.68 1wgq s ALA 85 N -1.23 3.54 -0.01 3.13 0.00 0.49 -3.76 121.76 123.91 1wgq s ALA 85 Ca 0.24 -1.36 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1wgq s ALA 85 Cb -0.12 -1.28 -0.19 0.00 0.00 0.00 0.00 23.12 21.53 1wgq s ALA 85 CO 0.15 0.35 1.23 -0.44 0.00 0.00 0.00 175.76 177.05 1wgq h ASP 86 N 1.88 -0.10 -5.32 0.00 3.32 -1.87 -3.45 116.42 110.87 1wgq h ASP 86 Ca -0.48 -0.38 -0.66 0.00 0.02 0.00 0.00 57.03 55.53 1wgq h ASP 86 Cb 1.22 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 1wgq h ASP 86 CO 0.61 0.35 -0.43 0.47 -1.72 0.00 0.00 179.24 178.52 1wgq n ASP 87 N -4.93 3.27 0.02 6.45 8.00 -1.26 -5.07 116.55 123.03 1wgq n ASP 87 Ca -0.09 -3.20 -0.06 0.00 0.71 0.00 0.00 54.79 52.16 1wgq n ASP 87 Cb 0.24 0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1wgq n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgq h ALA 88 N 1.10 -0.16 -0.96 2.24 0.00 -1.90 -3.01 119.26 116.58 1wgq h ALA 88 Ca -0.41 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 54.59 1wgq h ALA 88 Cb 1.31 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1wgq h ALA 88 CO 0.68 -0.17 0.49 0.45 0.00 0.00 0.00 179.25 180.70 1wgq h HIS 89 N -0.99 0.82 0.59 0.00 3.86 -1.98 -0.33 115.15 117.11 1wgq h HIS 89 Ca -0.02 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1wgq h HIS 89 Cb 0.37 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1wgq h HIS 89 CO 0.07 -0.05 -0.46 0.77 0.86 0.00 0.00 177.93 179.11 1wgq h SER 90 N 0.43 -1.22 -0.99 2.45 0.02 -1.97 -1.81 113.55 110.45 1wgq h SER 90 Ca 0.63 0.09 0.19 0.00 -0.84 0.00 0.00 61.79 61.86 1wgq h SER 90 Cb 1.28 0.38 -0.18 0.00 0.14 0.00 0.00 62.40 64.02 1wgq h SER 90 CO -0.54 -0.65 -0.28 0.41 -1.14 0.00 0.00 176.83 174.63 1wgq n THR 91 N -5.29 -0.44 -0.26 -2.27 -1.04 -0.18 0.17 114.28 104.98 1wgq n THR 91 Ca -0.12 2.29 0.02 0.00 -2.04 0.00 0.00 64.05 64.20 1wgq n THR 91 Cb 0.44 -3.14 0.15 0.00 -1.82 0.00 0.00 70.33 65.96 1wgq n THR 91 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1wgq h GLN 92 N 0.00 0.62 -0.23 -2.82 1.08 -1.05 0.71 115.11 113.42 1wgq h GLN 92 Ca 0.45 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1wgq h GLN 92 Cb 0.70 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1wgq h GLN 92 CO -1.02 0.41 0.13 0.00 -0.95 0.00 0.00 178.83 177.40 1wgq h ARG 93 N 0.64 0.26 -0.10 1.46 3.08 0.25 0.26 114.38 120.23 1wgq h ARG 93 Ca 0.36 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1wgq h ARG 93 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wgq h ARG 93 CO -0.27 0.17 0.04 -1.49 -1.07 0.00 0.00 179.97 177.35 1wgq h TRP 94 N 0.26 0.15 0.01 3.04 4.06 0.03 0.53 115.95 124.04 1wgq h TRP 94 Ca 0.09 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1wgq h TRP 94 Cb 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1wgq h TRP 94 CO -0.08 0.26 -0.09 0.82 -3.56 0.00 0.00 178.44 175.79 1wgq h ILE 95 N -0.01 0.00 -0.98 1.49 2.04 0.78 1.43 117.51 122.26 1wgq h ILE 95 Ca 0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 1wgq h ILE 95 Cb 0.18 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.16 1wgq h ILE 95 CO -0.00 0.00 0.58 -0.78 0.00 0.00 0.00 178.15 177.95 1wgq h ASP 96 N -0.12 0.76 -0.13 1.72 1.82 -0.50 1.07 116.42 121.04 1wgq h ASP 96 Ca 0.00 0.09 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1wgq h ASP 96 Cb 0.12 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1wgq h ASP 96 CO -0.05 0.29 -0.01 0.00 -1.61 0.00 0.00 179.24 177.87 1wgq h ALA 97 N 1.62 0.10 -0.20 -0.78 0.00 0.12 1.13 119.26 121.25 1wgq h ALA 97 Ca 0.55 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.44 1wgq h ALA 97 Cb 0.80 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wgq h ALA 97 CO -0.37 -0.46 -0.09 0.74 0.00 0.00 0.00 179.25 179.08 1wgq h PHE 98 N 0.03 0.47 0.92 0.00 0.04 0.44 -1.25 116.94 117.59 1wgq h PHE 98 Ca 0.06 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1wgq h PHE 98 Cb 0.08 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.13 1wgq h PHE 98 CO -0.15 0.70 -0.44 1.96 -0.60 0.00 0.00 178.31 179.78 1wgq h GLN 99 N 0.11 -1.18 -0.22 1.51 1.08 0.13 0.06 115.11 116.59 1wgq h GLN 99 Ca 0.04 0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1wgq h GLN 99 Cb 0.57 0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1wgq h GLN 99 CO 0.03 -0.79 0.27 0.93 -0.95 0.00 0.00 178.83 178.32 1wgq h GLU 100 N -1.26 0.00 0.17 1.46 5.08 0.12 -1.33 114.58 118.82 1wgq h GLU 100 Ca -0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1wgq h GLU 100 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1wgq h GLU 100 CO 0.21 0.00 -0.08 0.78 -1.00 0.00 0.00 179.01 178.92 1wgq h GLY 101 N 0.00 -0.24 0.91 -3.84 0.00 -0.54 -3.24 103.07 96.13 1wgq h GLY 101 Ca 0.10 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1wgq h GLY 101 CO -0.00 -0.09 0.47 -0.91 0.00 0.00 0.00 176.54 176.01 1wgq h THR 102 N -0.86 0.92 -2.75 4.70 1.35 -0.07 -3.41 112.91 112.80 1wgq h THR 102 Ca -0.02 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1wgq h THR 102 Cb 0.52 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1wgq h THR 102 CO 0.04 0.11 0.00 1.33 -0.25 0.00 0.00 175.52 176.74 1wgq n VAL 103 N -4.49 0.00 -1.56 6.82 0.24 -0.59 -4.22 118.33 114.53 1wgq n VAL 103 Ca 0.12 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.44 1wgq n VAL 103 Cb 0.36 -1.46 0.02 0.00 -1.47 0.00 0.00 33.84 31.29 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 -2.00 0.52 0.00 -1.34 2.88 -1.26 -4.91 113.62 107.52 1wgq n SER 104 Ca 0.00 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1wgq n SER 104 Cb 0.00 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 -0.28 -2.26 3.58 0.46 0.00 -1.26 -3.92 105.19 101.50 1wgq n GLY 105 Ca 0.03 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.77 3.22 -0.22 1.61 0.04 -1.26 -4.41 135.00 133.22 1wgq s PRO 106 Ca 0.00 -1.43 -0.03 0.00 0.04 0.00 0.00 61.00 59.59 1wgq s PRO 106 Cb 0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1wgq s PRO 106 CO 0.00 -3.05 0.07 0.43 0.04 0.00 0.00 177.00 174.49 1wgq n SER 107 N 11.34 -7.47 -0.01 6.66 7.64 -1.26 -5.00 113.62 125.52 1wgq n SER 107 Ca 0.45 0.98 -0.05 0.00 1.01 0.00 0.00 58.87 61.26 1wgq n SER 107 Cb 0.47 -3.99 -0.02 0.00 -1.01 0.00 0.00 64.21 59.66 1wgq n SER 107 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgq n SER 108 N 0.80 1.25 -0.36 6.43 7.64 -1.25 -5.20 113.62 122.93 1wgq n SER 108 Ca 0.00 0.19 0.04 0.00 1.01 0.00 0.00 58.87 60.12 1wgq n SER 108 Cb 0.22 -0.44 0.04 0.00 -1.01 0.00 0.00 64.21 63.02 1wgq n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64