#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 -0.26 0.56 1.61 0.01 -1.26 -5.15 113.70 109.21 1wgq s SER 2 Ca 0.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1wgq s SER 2 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1wgq s SER 2 CO 0.00 -0.72 0.00 -1.20 0.41 0.00 0.00 173.24 171.73 1wgq n SER 3 N -0.35 -8.39 0.00 2.44 7.64 -1.26 -4.99 113.62 108.71 1wgq n SER 3 Ca -0.07 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1wgq n SER 3 Cb 0.61 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 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 -1.88 0.06 3.06 0.23 0.00 -1.26 -5.08 105.19 100.33 1wgq n GLY 4 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 1wgq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgq s SER 5 N -1.19 -0.92 -0.43 1.61 1.04 -1.26 -5.09 113.70 107.47 1wgq s SER 5 Ca 0.00 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1wgq s SER 5 Cb 0.00 1.71 0.18 0.00 0.10 0.00 0.00 66.02 68.01 1wgq s SER 5 CO 0.00 -0.32 0.62 -0.44 0.98 0.00 0.00 173.24 174.08 1wgq s SER 6 N 2.73 -1.19 0.00 7.02 0.01 -1.26 -5.13 113.70 115.88 1wgq s SER 6 Ca 0.10 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1wgq s SER 6 Cb -0.11 1.76 0.00 0.00 0.21 0.00 0.00 66.02 67.88 1wgq s SER 6 CO -0.27 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1wgq n GLY 7 N 4.05 0.73 3.84 3.44 0.00 -1.26 -5.09 105.19 110.90 1wgq n GLY 7 Ca 0.13 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 6.13 0.16 1.61 0.01 -1.26 -4.95 113.70 111.40 1wgq s SER 8 Ca 0.00 1.55 -0.30 0.00 1.31 0.00 0.00 55.95 58.52 1wgq s SER 8 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1wgq s SER 8 CO 0.00 -0.93 1.53 0.41 0.41 0.00 0.00 173.24 174.66 1wgq n THR 9 N -2.39 -0.66 -3.68 1.44 -1.04 -1.26 -4.62 114.28 102.07 1wgq n THR 9 Ca 0.07 2.40 -0.13 0.00 -2.04 0.00 0.00 64.05 64.35 1wgq n THR 9 Cb 0.54 -2.98 -0.09 0.00 -1.82 0.00 0.00 70.33 65.98 1wgq n THR 9 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1wgq s MET 10 N -5.53 0.63 -0.29 -2.82 0.00 -1.26 -5.04 119.30 104.99 1wgq s MET 10 Ca -0.12 0.83 -0.11 0.00 0.00 0.00 0.00 55.69 56.28 1wgq s MET 10 Cb 0.12 0.26 0.11 0.00 0.00 0.00 0.00 34.83 35.32 1wgq s MET 10 CO 0.62 -0.09 0.65 -1.54 0.00 0.00 0.00 175.02 174.65 1wgq s SER 11 N 0.56 -1.05 0.00 1.11 1.04 -1.26 -2.30 113.70 111.81 1wgq s SER 11 Ca -0.02 1.53 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1wgq s SER 11 Cb -0.05 2.01 0.00 0.00 0.10 0.00 0.00 66.02 68.09 1wgq s SER 11 CO -0.03 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wgq n GLY 12 N 5.15 1.24 3.75 7.32 0.00 -1.19 -5.04 105.19 116.42 1wgq n GLY 12 Ca -0.14 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.99 2.74 0.34 1.61 2.02 -1.26 -3.86 117.35 116.94 1wgq s TYR 13 Ca 0.00 0.83 0.06 0.00 -0.37 0.00 0.00 57.07 57.59 1wgq s TYR 13 Cb 0.00 -4.06 -0.03 0.00 -0.40 0.00 0.00 41.96 37.47 1wgq s TYR 13 CO 0.00 -3.50 0.23 -0.51 -1.57 0.00 0.00 175.55 170.20 1wgq s LEU 14 N -0.68 1.76 -0.21 -1.29 1.43 -0.67 -4.82 118.68 114.19 1wgq s LEU 14 Ca 0.62 -1.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1wgq s LEU 14 Cb -0.47 0.39 0.03 0.00 0.03 0.00 0.00 46.19 46.17 1wgq s LEU 14 CO 0.50 -1.02 -0.15 -0.31 0.23 0.00 0.00 176.35 175.60 1wgq s TYR 15 N -3.45 2.98 0.10 0.29 2.02 -1.24 -2.35 117.35 115.70 1wgq s TYR 15 Ca 0.37 -1.88 -0.14 0.00 -0.37 0.00 0.00 57.07 55.05 1wgq s TYR 15 Cb 0.03 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1wgq s TYR 15 CO 0.23 -0.83 0.50 0.50 -1.57 0.00 0.00 175.55 174.38 1wgq s ARG 16 N 1.23 3.95 0.09 -0.62 3.52 -0.41 -2.67 118.95 124.04 1wgq s ARG 16 Ca -0.00 0.44 -0.16 0.00 -0.13 0.00 0.00 55.73 55.87 1wgq s ARG 16 Cb -0.16 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1wgq s ARG 16 CO -0.09 0.55 0.39 -1.12 -0.81 0.00 0.00 175.30 174.21 1wgq s SER 17 N -1.56 -0.22 -0.23 -2.12 0.01 -1.07 -0.99 113.70 107.52 1wgq s SER 17 Ca 0.34 -0.21 0.14 0.00 1.31 0.00 0.00 55.95 57.52 1wgq s SER 17 Cb -0.16 0.44 0.81 0.00 0.21 0.00 0.00 66.02 67.32 1wgq s SER 17 CO 0.18 -0.76 1.73 0.29 0.41 0.00 0.00 173.24 175.09 1wgq n LYS 18 N 0.10 4.81 0.00 12.44 4.01 -1.26 0.20 118.16 138.46 1wgq n LYS 18 Ca -0.17 -3.11 0.00 0.00 -0.51 0.00 0.00 58.31 54.52 1wgq n LYS 18 Cb 0.62 -2.24 0.00 0.00 -0.51 0.00 0.00 35.03 32.90 1wgq n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wgq n GLY 19 N 0.65 0.77 3.82 0.72 0.00 -1.26 -4.94 105.19 104.96 1wgq n GLY 19 Ca 0.27 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1wgq n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgq s SER 20 N -3.65 6.88 0.00 1.61 0.01 -1.26 -3.24 113.70 114.06 1wgq s SER 20 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1wgq s SER 20 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wgq s SER 20 CO 0.00 -0.40 0.00 0.29 0.41 0.00 0.00 173.24 173.54 1wgq n LYS 21 N -0.78 0.00 -3.64 12.44 5.02 -1.26 -5.00 118.16 124.94 1wgq n LYS 21 Ca 0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 1wgq n LYS 21 Cb 0.54 -2.62 -0.03 0.00 -0.02 0.00 0.00 35.03 32.90 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 -0.08 3.51 0.19 1.97 -0.14 -1.20 -5.07 119.74 118.93 1wgq s LYS 22 Ca 0.00 -0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 53.95 1wgq s LYS 22 Cb 0.00 -2.80 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 1wgq s LYS 22 CO 0.00 0.35 1.11 -1.25 -0.76 0.00 0.00 175.35 174.80 1wgq s PRO 23 N -3.58 4.59 0.70 -1.68 0.04 -1.26 -4.93 135.00 128.88 1wgq s PRO 23 Ca 0.39 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1wgq s PRO 23 Cb -0.11 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wgq s PRO 23 CO 0.30 0.08 1.06 -1.58 0.04 0.00 0.00 177.00 176.90 1wgq s TRP 24 N -0.36 3.22 -0.14 0.56 0.52 -1.26 -4.60 118.94 116.88 1wgq s TRP 24 Ca 0.49 1.28 -0.02 0.00 0.02 0.00 0.00 56.10 57.86 1wgq s TRP 24 Cb -0.30 -2.91 0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1wgq s TRP 24 CO 0.36 -1.19 0.03 0.15 0.02 0.00 0.00 176.95 176.32 1wgq s LYS 25 N -5.15 0.54 -0.51 4.98 1.02 -0.16 -4.88 119.74 115.58 1wgq s LYS 25 Ca 0.58 -0.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 1wgq s LYS 25 Cb -0.13 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.64 1wgq s LYS 25 CO 0.54 -0.50 1.17 -1.58 -0.92 0.00 0.00 175.35 174.06 1wgq s HIS 26 N 1.95 2.73 0.14 3.18 5.65 -1.26 -1.28 115.29 126.40 1wgq s HIS 26 Ca 0.02 0.62 -0.02 0.00 0.25 0.00 0.00 55.06 55.93 1wgq s HIS 26 Cb -0.15 -4.46 -0.03 0.00 -1.18 0.00 0.00 32.58 26.75 1wgq s HIS 26 CO -0.07 -1.40 0.10 -0.51 -0.65 0.00 0.00 174.74 172.21 1wgq s LEU 27 N 4.67 1.58 -0.09 8.88 1.43 -0.99 -4.99 118.68 129.16 1wgq s LEU 27 Ca 0.47 -1.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1wgq s LEU 27 Cb -0.07 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 1wgq s LEU 27 CO 0.30 -0.77 0.10 0.86 0.23 0.00 0.00 176.35 177.08 1wgq s TRP 28 N -4.04 3.45 0.10 0.29 -0.11 -1.11 -1.67 118.94 115.86 1wgq s TRP 28 Ca 0.24 0.40 0.04 0.00 1.22 0.00 0.00 56.10 57.99 1wgq s TRP 28 Cb 0.07 -1.87 -0.04 0.00 -1.50 0.00 0.00 33.47 30.13 1wgq s TRP 28 CO 0.02 0.64 -0.10 -0.06 -4.62 0.00 0.00 176.95 172.84 1wgq s PHE 29 N -1.04 1.07 0.02 5.86 0.08 -1.25 0.28 117.98 123.01 1wgq s PHE 29 Ca 0.17 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.38 1wgq s PHE 29 Cb -0.12 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 1wgq s PHE 29 CO 0.06 -0.00 0.32 0.08 -0.10 0.00 0.00 175.22 175.58 1wgq s VAL 30 N -2.67 0.07 -0.29 -0.44 1.01 -1.15 -3.18 120.40 113.75 1wgq s VAL 30 Ca 0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1wgq s VAL 30 Cb -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1wgq s VAL 30 CO -0.00 -0.32 -0.00 -0.63 0.00 0.00 0.00 175.10 174.15 1wgq s ILE 31 N -2.07 3.05 -0.00 2.22 1.01 -0.97 -1.80 121.20 122.64 1wgq s ILE 31 Ca -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.28 1wgq s ILE 31 Cb -0.02 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1wgq s ILE 31 CO -0.00 -0.06 -0.03 -0.75 0.00 0.00 0.00 174.94 174.10 1wgq s LYS 32 N 1.28 0.20 -1.19 2.79 2.20 -0.66 -4.20 119.74 120.16 1wgq s LYS 32 Ca -0.04 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1wgq s LYS 32 Cb -0.19 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.95 1wgq s LYS 32 CO -0.01 0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.32 1wgq n ASN 33 N 2.94 -3.65 -1.42 1.43 5.15 -1.26 0.18 115.26 118.63 1wgq n ASN 33 Ca -0.13 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 1wgq n ASN 33 Cb 0.59 -3.24 -0.00 0.00 -0.53 0.00 0.00 39.78 36.59 1wgq n ASN 33 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wgq n LYS 34 N -2.36 -1.10 -5.12 1.20 5.02 -1.26 -4.95 118.16 109.60 1wgq n LYS 34 Ca -0.14 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 1wgq n LYS 34 Cb 0.52 -4.76 -0.16 0.00 -0.02 0.00 0.00 35.03 30.61 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 -2.63 1.81 -0.68 -0.18 1.01 0.48 -1.87 120.40 118.34 1wgq s VAL 35 Ca 0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 1wgq s VAL 35 Cb -0.01 -1.52 0.10 0.00 0.00 0.00 0.00 36.38 34.96 1wgq s VAL 35 CO 0.01 0.51 0.86 -0.22 0.00 0.00 0.00 175.10 176.26 1wgq s LEU 36 N -0.29 5.09 0.34 3.92 1.98 0.27 -1.65 118.68 128.34 1wgq s LEU 36 Ca 0.02 -1.46 -0.15 0.00 -2.89 0.00 0.00 54.13 49.65 1wgq s LEU 36 Cb -0.11 -2.35 -0.09 0.00 0.66 0.00 0.00 46.19 44.30 1wgq s LEU 36 CO 0.01 -1.18 0.76 -0.31 -1.89 0.00 0.00 176.35 173.74 1wgq s TYR 37 N 2.99 3.38 0.01 5.38 2.02 -0.75 -1.93 117.35 128.45 1wgq s TYR 37 Ca 0.18 1.23 0.01 0.00 -0.37 0.00 0.00 57.07 58.13 1wgq s TYR 37 Cb -0.18 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.79 1wgq s TYR 37 CO 0.04 0.05 0.03 0.99 -1.57 0.00 0.00 175.55 175.09 1wgq s THR 38 N -2.04 4.31 0.09 -0.71 2.01 0.24 -2.92 115.64 116.62 1wgq s THR 38 Ca 0.55 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1wgq s THR 38 Cb -0.10 -2.95 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 1wgq s THR 38 CO 0.18 0.33 0.11 -1.22 -0.69 0.00 0.00 174.62 173.34 1wgq n TYR 39 N 1.22 -0.50 0.00 4.92 4.01 0.14 0.35 117.16 127.30 1wgq n TYR 39 Ca -0.13 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1wgq n TYR 39 Cb 0.53 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 -2.39 2.60 -2.65 -0.72 0.00 -1.26 -2.74 120.51 113.35 1wgq n ALA 40 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1wgq n ALA 40 Cb 0.16 0.19 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 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 1.29 0.27 0.00 0.00 -1.26 -4.24 121.76 116.06 1wgq s ALA 41 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1wgq s ALA 41 Cb 0.00 -0.16 0.47 0.00 0.00 0.00 0.00 23.12 23.43 1wgq s ALA 41 CO 0.00 0.22 1.85 1.03 0.00 0.00 0.00 175.76 178.86 1wgq h SER 42 N 4.51 0.95 -1.00 0.00 0.87 -1.99 -0.83 113.55 116.06 1wgq h SER 42 Ca -0.41 0.03 -0.53 0.00 -1.23 0.00 0.00 61.79 59.65 1wgq h SER 42 Cb 1.18 -0.16 -0.21 0.00 -0.44 0.00 0.00 62.40 62.77 1wgq h SER 42 CO 0.41 0.55 0.64 -0.62 -0.53 0.00 0.00 176.83 177.29 1wgq n GLU 43 N -4.58 2.34 -1.26 2.24 1.02 -1.26 -4.97 120.64 114.17 1wgq n GLU 43 Ca 0.17 -2.54 -0.29 0.00 -0.02 0.00 0.00 57.16 54.48 1wgq n GLU 43 Cb 0.27 -2.03 0.15 0.00 -0.02 0.00 0.00 31.44 29.81 1wgq n GLU 43 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1wgq s ASP 44 N -0.54 3.30 -0.03 1.62 1.47 -0.32 -4.98 116.67 117.19 1wgq s ASP 44 Ca 0.50 1.32 0.16 0.00 1.18 0.00 0.00 52.55 55.71 1wgq s ASP 44 Cb 0.38 -1.99 -0.24 0.00 -0.34 0.00 0.00 42.92 40.72 1wgq s ASP 44 CO -0.12 -2.72 0.33 1.33 0.68 0.00 0.00 175.17 174.66 1wgq n VAL 45 N -3.92 0.08 -3.58 2.11 0.24 -1.26 -5.01 118.33 106.99 1wgq n VAL 45 Ca 0.06 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 1wgq n VAL 45 Cb 0.56 0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 1wgq n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgq s ALA 46 N -3.06 -1.88 0.32 2.33 0.00 -1.26 -5.15 121.76 113.07 1wgq s ALA 46 Ca -0.06 1.60 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1wgq s ALA 46 Cb 0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 1wgq s ALA 46 CO 0.66 -0.32 1.25 0.00 0.00 0.00 0.00 175.76 177.35 1wgq s ALA 47 N -0.76 3.46 0.16 0.00 0.00 -1.26 -4.86 121.76 118.51 1wgq s ALA 47 Ca -0.04 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 1wgq s ALA 47 Cb -0.02 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1wgq s ALA 47 CO 0.03 -0.51 1.57 -0.07 0.00 0.00 0.00 175.76 176.79 1wgq h LEU 48 N 3.48 1.01 -8.05 0.00 3.38 -0.42 -3.47 115.31 111.25 1wgq h LEU 48 Ca -0.48 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.05 1wgq h LEU 48 Cb 1.22 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1wgq h LEU 48 CO 0.66 1.14 -0.20 -1.61 0.09 0.00 0.00 178.44 178.52 1wgq s GLU 49 N -4.79 1.32 -0.05 1.13 0.41 -1.21 -4.97 118.70 110.53 1wgq s GLU 49 Ca -0.12 -1.14 -0.02 0.00 -0.41 0.00 0.00 54.97 53.28 1wgq s GLU 49 Cb 0.12 0.43 0.04 0.00 -1.78 0.00 0.00 34.13 32.94 1wgq s GLU 49 CO 0.86 -0.52 0.10 -1.54 -0.49 0.00 0.00 175.26 173.67 1wgq s SER 50 N -2.97 0.14 -0.04 -0.19 1.04 -1.26 0.81 113.70 111.23 1wgq s SER 50 Ca 0.18 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 1wgq s SER 50 Cb 0.01 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1wgq s SER 50 CO 0.02 -0.16 0.07 -1.10 0.98 0.00 0.00 173.24 173.05 1wgq s GLN 51 N 1.34 -0.05 0.40 4.02 -1.52 -0.81 -5.00 119.66 118.04 1wgq s GLN 51 Ca -0.07 0.37 -0.24 0.00 -1.95 0.00 0.00 55.36 53.47 1wgq s GLN 51 Cb -0.12 -0.41 -0.09 0.00 -0.22 0.00 0.00 33.01 32.17 1wgq s GLN 51 CO -0.05 -0.29 1.06 -1.25 -0.25 0.00 0.00 175.29 174.51 1wgq s PRO 52 N 1.94 4.15 -0.38 2.91 0.04 -1.26 0.98 135.00 143.37 1wgq s PRO 52 Ca 0.01 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1wgq s PRO 52 Cb -0.12 -2.53 0.34 0.00 0.04 0.00 0.00 34.50 32.22 1wgq s PRO 52 CO -0.04 -0.16 1.86 1.28 0.04 0.00 0.00 177.00 179.99 1wgq n LEU 53 N -0.09 6.32 -4.44 -3.56 4.77 -0.78 -4.78 117.00 114.43 1wgq n LEU 53 Ca 0.05 -3.33 -0.44 0.00 -0.03 0.00 0.00 56.01 52.27 1wgq n LEU 53 Cb 0.50 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1wgq n LEU 53 CO 0.45 1.14 0.41 -0.22 -1.33 0.00 0.00 177.39 177.84 1wgq s LEU 54 N -2.32 4.94 0.00 2.23 1.98 -1.26 -3.49 118.68 120.76 1wgq s LEU 54 Ca 0.40 -0.98 0.00 0.00 -2.89 0.00 0.00 54.13 50.66 1wgq s LEU 54 Cb 0.32 -2.45 0.00 0.00 0.66 0.00 0.00 46.19 44.72 1wgq s LEU 54 CO 0.02 -1.01 0.00 0.61 -1.89 0.00 0.00 176.35 174.09 1wgq n GLY 55 N 5.20 3.34 3.54 7.98 0.00 -1.26 -5.06 105.19 118.92 1wgq n GLY 55 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.88 0.54 0.26 1.61 0.40 -1.25 -4.02 117.98 112.64 1wgq s PHE 56 Ca 0.00 0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 56.84 1wgq s PHE 56 Cb 0.00 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1wgq s PHE 56 CO 0.00 -3.98 0.45 0.99 0.70 0.00 0.00 175.22 173.38 1wgq s THR 57 N -2.82 0.00 0.05 0.64 2.01 0.41 -4.78 115.64 111.15 1wgq s THR 57 Ca 0.70 -1.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 1wgq s THR 57 Cb -0.13 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1wgq s THR 57 CO 0.57 0.00 0.14 -0.69 -0.69 0.00 0.00 174.62 173.95 1wgq s VAL 58 N -3.89 0.13 -0.06 3.82 1.01 -1.26 0.06 120.40 120.21 1wgq s VAL 58 Ca 0.25 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1wgq s VAL 58 Cb 0.00 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 35.47 1wgq s VAL 58 CO 0.11 -0.60 0.85 0.28 0.00 0.00 0.00 175.10 175.74 1wgq s THR 59 N -2.88 0.00 0.35 3.92 -1.32 -1.00 -4.89 115.64 109.82 1wgq s THR 59 Ca -0.03 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1wgq s THR 59 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1wgq s THR 59 CO -0.06 0.00 0.98 -0.22 -2.21 0.00 0.00 174.62 173.12 1wgq s LEU 60 N -1.64 4.27 -0.01 9.08 1.98 -1.26 -1.25 118.68 129.85 1wgq s LEU 60 Ca -0.02 1.91 0.07 0.00 -2.89 0.00 0.00 54.13 53.20 1wgq s LEU 60 Cb -0.01 -4.07 -0.02 0.00 0.66 0.00 0.00 46.19 42.76 1wgq s LEU 60 CO -0.00 -0.21 -0.21 0.54 -1.89 0.00 0.00 176.35 174.58 1wgq s VAL 61 N -1.63 1.65 0.09 1.68 0.11 -1.12 -4.87 120.40 116.31 1wgq s VAL 61 Ca 0.53 -0.94 -0.27 0.00 -2.93 0.00 0.00 61.98 58.37 1wgq s VAL 61 Cb -0.20 -1.38 -0.14 0.00 -1.53 0.00 0.00 36.38 33.13 1wgq s VAL 61 CO 0.25 0.43 1.68 0.07 -3.33 0.00 0.00 175.10 174.20 1wgq h LYS 62 N 5.51 -0.38 -3.32 1.54 5.09 -1.86 -3.41 116.57 119.72 1wgq h LYS 62 Ca -0.40 0.03 0.37 0.00 0.09 0.00 0.00 60.65 60.74 1wgq h LYS 62 Cb 1.14 0.09 -0.14 0.00 0.10 0.00 0.00 32.23 33.42 1wgq h LYS 62 CO 0.47 -0.26 -0.84 -3.47 -2.09 0.00 0.00 179.45 173.27 1wgq n ASP 63 N -5.29 -8.52 -0.08 7.07 2.03 -1.26 -3.83 116.55 106.67 1wgq n ASP 63 Ca -0.09 0.95 -0.12 0.00 0.52 0.00 0.00 54.79 56.06 1wgq n ASP 63 Cb 0.20 -4.61 -0.08 0.00 -0.72 0.00 0.00 41.12 35.92 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 -4.25 0.44 0.06 -0.67 2.13 -1.26 -4.63 120.64 112.46 1wgq n GLU 64 Ca -0.03 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.75 1wgq n GLU 64 Cb 0.68 -1.34 -0.08 0.00 0.27 0.00 0.00 31.44 30.97 1wgq n GLU 64 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1wgq h ASN 65 N 0.00 -0.11 -1.22 4.31 -0.73 -2.01 -3.45 115.58 112.37 1wgq h ASN 65 Ca -0.37 -0.24 -0.58 0.00 1.87 0.00 0.00 56.30 56.97 1wgq h ASN 65 Cb 1.59 0.03 -0.08 0.00 0.27 0.00 0.00 38.32 40.12 1wgq h ASN 65 CO -0.06 0.18 -0.46 -0.44 -0.37 0.00 0.00 177.43 176.29 1wgq s SER 66 N -5.34 4.43 -0.06 1.15 0.01 -1.26 -5.06 113.70 107.56 1wgq s SER 66 Ca -0.15 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 55.97 1wgq s SER 66 Cb 0.03 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 66.03 1wgq s SER 66 CO 0.64 -0.70 0.01 -1.84 0.41 0.00 0.00 173.24 171.76 1wgq n GLU 67 N -1.35 2.81 -1.76 12.44 0.28 -1.25 -4.23 120.64 127.58 1wgq n GLU 67 Ca -0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.92 1wgq n GLU 67 Cb 0.65 -1.16 0.03 0.00 1.43 0.00 0.00 31.44 32.39 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 -2.26 -1.12 0.00 -1.84 2.88 -1.26 -4.56 113.62 105.45 1wgq n SER 68 Ca -0.10 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1wgq n SER 68 Cb 0.70 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 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 -0.71 1.42 -4.12 -1.46 5.02 -1.26 -4.59 118.16 112.47 1wgq n LYS 69 Ca -0.21 -1.10 -0.16 0.00 -2.02 0.00 0.00 58.31 54.82 1wgq n LYS 69 Cb 0.75 -0.99 -0.15 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.60 0.38 0.45 -0.18 0.11 -1.26 0.77 120.40 120.07 1wgq s VAL 70 Ca 0.00 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 1wgq s VAL 70 Cb 0.00 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1wgq s VAL 70 CO 0.00 0.13 0.07 0.72 -3.33 0.00 0.00 175.10 172.69 1wgq s PHE 71 N 0.19 1.84 0.02 1.54 -0.71 0.21 -2.81 117.98 118.25 1wgq s PHE 71 Ca -0.02 -1.12 0.04 0.00 -1.04 0.00 0.00 56.93 54.79 1wgq s PHE 71 Cb -0.05 -1.38 -0.02 0.00 -1.21 0.00 0.00 43.02 40.36 1wgq s PHE 71 CO -0.00 -0.04 -0.13 -0.65 -1.34 0.00 0.00 175.22 173.05 1wgq s GLN 72 N -3.78 0.96 -0.56 1.99 -0.21 -0.38 -0.45 119.66 117.22 1wgq s GLN 72 Ca 0.16 -0.63 -0.18 0.00 0.02 0.00 0.00 55.36 54.72 1wgq s GLN 72 Cb 0.02 -0.95 0.09 0.00 1.00 0.00 0.00 33.01 33.18 1wgq s GLN 72 CO 0.09 0.24 0.65 -1.17 -2.12 0.00 0.00 175.29 172.98 1wgq s LEU 73 N -0.80 5.38 0.32 2.90 2.96 0.14 -2.38 118.68 127.19 1wgq s LEU 73 Ca 0.03 -1.34 -0.18 0.00 -0.22 0.00 0.00 54.13 52.42 1wgq s LEU 73 Cb -0.07 -2.32 -0.09 0.00 0.50 0.00 0.00 46.19 44.21 1wgq s LEU 73 CO 0.01 -1.01 0.79 -0.76 -1.32 0.00 0.00 176.35 174.06 1wgq s LEU 74 N 2.50 4.14 -0.33 -0.68 1.43 0.11 0.19 118.68 126.05 1wgq s LEU 74 Ca 0.11 1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1wgq s LEU 74 Cb -0.24 -4.03 0.11 0.00 0.03 0.00 0.00 46.19 42.07 1wgq s LEU 74 CO 0.07 -0.16 0.15 -2.28 0.23 0.00 0.00 176.35 174.37 1wgq s HIS 75 N -1.86 0.92 0.00 0.29 2.46 0.39 0.16 115.29 117.64 1wgq s HIS 75 Ca 0.52 -1.43 0.00 0.00 0.47 0.00 0.00 55.06 54.62 1wgq s HIS 75 Cb -0.13 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 1wgq s HIS 75 CO 0.18 -0.84 0.00 1.63 -2.47 0.00 0.00 174.74 173.24 1wgq n LYS 76 N 4.67 0.00 0.00 2.88 5.02 -1.26 -3.14 118.16 126.33 1wgq n LYS 76 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wgq n LYS 76 Cb 0.40 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.33 3.86 0.72 0.00 -1.26 -5.12 105.19 102.72 1wgq n GLY 77 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wgq n GLY 77 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wgq s MET 78 N 0.00 3.77 0.00 1.61 0.23 -1.19 -4.98 119.30 118.74 1wgq s MET 78 Ca 0.00 0.20 -0.30 0.00 -1.03 0.00 0.00 55.69 54.55 1wgq s MET 78 Cb 0.00 -3.06 -0.06 0.00 -1.53 0.00 0.00 34.83 30.19 1wgq s MET 78 CO 0.00 0.60 1.45 0.08 -2.03 0.00 0.00 175.02 175.12 1wgq s VAL 79 N -1.31 3.63 -0.14 5.16 1.01 -1.26 0.15 120.40 127.63 1wgq s VAL 79 Ca 0.30 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 1wgq s VAL 79 Cb -0.14 -3.64 -0.24 0.00 0.00 0.00 0.00 36.38 32.35 1wgq s VAL 79 CO 0.16 -0.01 0.28 0.33 0.00 0.00 0.00 175.10 175.86 1wgq n PHE 80 N 5.54 1.09 -3.53 5.22 7.35 0.50 -4.87 117.46 128.76 1wgq n PHE 80 Ca 0.14 0.25 -0.09 0.00 -0.76 0.00 0.00 57.45 56.98 1wgq n PHE 80 Cb 0.43 -1.14 -0.03 0.00 0.35 0.00 0.00 39.48 39.09 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 -2.54 -0.37 0.33 -5.13 2.02 -1.16 -4.90 117.35 105.61 1wgq s TYR 81 Ca -0.25 0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 1wgq s TYR 81 Cb 0.07 0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 42.10 1wgq s TYR 81 CO 0.73 -0.48 0.51 0.08 -1.57 0.00 0.00 175.55 174.82 1wgq s VAL 82 N -2.42 5.04 -0.20 0.71 1.01 0.55 0.27 120.40 125.35 1wgq s VAL 82 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1wgq s VAL 82 Cb -0.01 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1wgq s VAL 82 CO -0.05 -0.49 0.49 -0.36 0.00 0.00 0.00 175.10 174.69 1wgq s PHE 83 N -2.26 -0.76 -0.12 5.22 0.08 0.40 -2.60 117.98 117.94 1wgq s PHE 83 Ca 0.39 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 58.98 1wgq s PHE 83 Cb -0.09 0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 42.71 1wgq s PHE 83 CO 0.35 -0.41 -0.05 0.21 -0.10 0.00 0.00 175.22 175.21 1wgq s LYS 84 N 1.63 3.34 0.17 0.44 2.20 -1.09 0.65 119.74 127.08 1wgq s LYS 84 Ca -0.09 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 1wgq s LYS 84 Cb -0.08 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 1wgq s LYS 84 CO -0.15 0.40 0.19 0.00 -0.36 0.00 0.00 175.35 175.43 1wgq s ALA 85 N -0.07 3.70 0.00 3.13 0.00 0.23 -3.67 121.76 125.07 1wgq s ALA 85 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1wgq s ALA 85 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1wgq s ALA 85 CO 0.03 0.48 0.59 -0.25 0.00 0.00 0.00 175.76 176.60 1wgq n ASP 86 N -0.53 0.00 -3.87 0.00 9.92 -1.26 -4.76 116.55 116.05 1wgq n ASP 86 Ca -0.08 0.59 -0.19 0.00 -0.53 0.00 0.00 54.79 54.58 1wgq n ASP 86 Cb 0.55 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 1wgq n ASP 86 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wgq n ASP 87 N -1.22 2.49 -0.09 -2.24 8.00 -1.26 -5.00 116.55 117.23 1wgq n ASP 87 Ca 0.00 -2.37 -0.10 0.00 0.71 0.00 0.00 54.79 53.03 1wgq n ASP 87 Cb 0.00 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.89 0.37 -0.50 2.24 0.00 -1.87 -1.79 119.26 118.59 1wgq h ALA 88 Ca -0.25 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1wgq h ALA 88 Cb 0.86 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1wgq h ALA 88 CO 0.41 0.03 -0.11 0.45 0.00 0.00 0.00 179.25 180.04 1wgq h HIS 89 N 0.28 -0.23 0.53 0.00 -0.00 -1.96 -1.32 115.15 112.46 1wgq h HIS 89 Ca 0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 1wgq h HIS 89 Cb 0.29 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1wgq h HIS 89 CO 0.01 -0.20 -0.38 0.77 -0.00 0.00 0.00 177.93 178.14 1wgq h SER 90 N 0.02 -0.97 -0.96 2.45 0.02 -1.91 -2.51 113.55 109.69 1wgq h SER 90 Ca 0.24 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 1wgq h SER 90 Cb 0.37 0.30 -0.13 0.00 0.14 0.00 0.00 62.40 63.08 1wgq h SER 90 CO -0.50 -0.57 -0.48 0.41 -1.14 0.00 0.00 176.83 174.55 1wgq n THR 91 N -5.50 -0.59 -0.24 -2.27 -1.04 -0.69 0.11 114.28 104.06 1wgq n THR 91 Ca -0.12 2.30 0.04 0.00 -2.04 0.00 0.00 64.05 64.23 1wgq n THR 91 Cb 0.39 -2.93 0.16 0.00 -1.82 0.00 0.00 70.33 66.13 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 0.19 0.48 -2.82 1.08 -1.06 0.85 115.11 113.82 1wgq h GLN 92 Ca 0.24 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1wgq h GLN 92 Cb 0.48 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1wgq h GLN 92 CO -0.93 0.12 -0.40 0.00 -0.95 0.00 0.00 178.83 176.67 1wgq h ARG 93 N 0.19 -0.84 -0.57 1.46 3.08 0.12 0.49 114.38 118.31 1wgq h ARG 93 Ca 0.39 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.58 1wgq h ARG 93 Cb 0.67 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 1wgq h ARG 93 CO -0.55 -0.56 0.23 -1.49 -1.07 0.00 0.00 179.97 176.53 1wgq h TRP 94 N -0.87 0.40 0.00 3.04 4.06 0.16 1.44 115.95 124.18 1wgq h TRP 94 Ca -0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1wgq h TRP 94 Cb 0.75 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1wgq h TRP 94 CO -0.18 0.13 0.00 -0.89 -3.56 0.00 0.00 178.44 173.94 1wgq n ILE 95 N -4.97 0.00 -0.24 1.49 5.41 0.28 0.12 119.36 121.46 1wgq n ILE 95 Ca 0.07 1.48 0.20 0.00 1.00 0.00 0.00 62.75 65.49 1wgq n ILE 95 Cb 0.23 -2.32 0.53 0.00 -0.71 0.00 0.00 39.64 37.37 1wgq n ILE 95 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1wgq h ASP 96 N 0.00 0.38 -0.69 4.38 1.82 0.19 0.96 116.42 123.45 1wgq h ASP 96 Ca 0.00 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 1wgq h ASP 96 Cb 0.00 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 1wgq h ASP 96 CO 0.00 0.15 0.27 0.00 -1.61 0.00 0.00 179.24 178.05 1wgq h ALA 97 N 1.61 1.13 0.00 -0.78 0.00 0.28 0.67 119.26 122.17 1wgq h ALA 97 Ca 0.46 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1wgq h ALA 97 Cb 1.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wgq h ALA 97 CO -0.17 0.62 -0.84 0.74 0.00 0.00 0.00 179.25 179.60 1wgq h PHE 98 N 1.03 0.00 0.01 0.00 0.04 0.67 -3.01 116.94 115.69 1wgq h PHE 98 Ca 0.24 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 1wgq h PHE 98 Cb 0.22 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1wgq h PHE 98 CO 0.02 0.64 -0.40 1.96 -0.60 0.00 0.00 178.31 179.93 1wgq h GLN 99 N 0.00 0.26 0.00 1.51 1.08 0.11 -3.06 115.11 115.01 1wgq h GLN 99 Ca -0.05 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1wgq h GLN 99 Cb 1.53 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1wgq h GLN 99 CO 0.07 1.01 0.00 0.39 -0.95 0.00 0.00 178.83 179.35 1wgq n GLU 100 N -4.38 0.40 0.00 1.46 1.02 0.23 -2.51 120.64 116.85 1wgq n GLU 100 Ca -0.10 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 1wgq n GLU 100 Cb 0.58 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 1wgq n GLU 100 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wgq h GLY 101 N 3.38 0.26 1.69 0.62 0.00 -1.44 -3.36 103.07 104.21 1wgq h GLY 101 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.50 1wgq h GLY 101 CO 0.00 0.58 -0.68 -0.91 0.00 0.00 0.00 176.54 175.54 1wgq h THR 102 N -0.35 1.39 -2.38 4.70 1.35 -1.43 -3.45 112.91 112.74 1wgq h THR 102 Ca -0.29 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1wgq h THR 102 Cb 1.72 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1wgq h THR 102 CO 0.05 0.63 0.00 1.33 -0.25 0.00 0.00 175.52 177.27 1wgq n VAL 103 N -3.84 0.00 -1.64 6.82 0.24 -1.05 -4.63 118.33 114.24 1wgq n VAL 103 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1wgq n VAL 103 Cb 0.67 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 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 -1.27 0.00 0.00 -1.34 2.88 -1.26 -4.91 113.62 107.72 1wgq n SER 104 Ca 0.00 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 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 0.96 3.77 0.46 0.00 -1.26 -5.05 105.19 104.07 1wgq n GLY 105 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.39 -0.26 -0.12 1.61 0.04 -1.26 -4.99 135.00 126.64 1wgq s PRO 106 Ca 0.00 -0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.50 1wgq s PRO 106 Cb 0.00 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1wgq s PRO 106 CO 0.00 -3.04 1.04 -1.12 0.04 0.00 0.00 177.00 173.92 1wgq s SER 107 N -4.41 7.20 0.03 6.66 0.01 -1.26 -5.03 113.70 116.90 1wgq s SER 107 Ca 0.72 1.55 0.02 0.00 1.31 0.00 0.00 55.95 59.55 1wgq s SER 107 Cb -0.07 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1wgq s SER 107 CO 0.54 -0.50 -0.07 -0.94 0.41 0.00 0.00 173.24 172.69 1wgq s SER 108 N 1.17 0.75 0.00 2.44 1.04 -1.26 -5.32 113.70 112.51 1wgq s SER 108 Ca 0.49 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1wgq s SER 108 Cb -0.19 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wgq s SER 108 CO 0.17 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.88