#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwq s TRP 2 N 0.00 -0.70 0.34 -1.84 -0.00 -1.26 -5.03 118.94 110.45 3dwq s TRP 2 Ca 0.00 1.67 0.14 0.00 -0.00 0.00 0.00 56.10 57.91 3dwq s TRP 2 Cb 0.00 0.25 1.07 0.00 -0.00 0.00 0.00 33.47 34.79 3dwq s TRP 2 CO 0.00 -0.36 1.66 1.15 -0.00 0.00 0.00 176.95 179.40 3dwq h THR 3 N 4.05 0.30 -0.34 5.86 2.02 -2.00 -1.11 112.91 121.69 3dwq h THR 3 Ca -0.28 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3dwq h THR 3 Cb 1.16 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3dwq h THR 3 CO 0.12 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.68 3dwq n GLY 4 N -1.30 1.13 3.72 2.16 0.00 -1.26 -4.54 105.19 105.10 3dwq n GLY 4 Ca 0.31 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3dwq n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwq n ASP 5 N 0.48 1.78 -4.03 1.61 8.00 -0.42 -4.72 116.55 119.25 3dwq n ASP 5 Ca 0.12 0.77 -0.41 0.00 0.71 0.00 0.00 54.79 55.98 3dwq n ASP 5 Cb 0.42 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 39.96 3dwq n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwq n ALA 6 N -2.28 4.14 -3.03 2.24 0.00 -1.26 -3.94 120.51 116.39 3dwq n ALA 6 Ca 0.15 -3.66 -0.10 0.00 0.00 0.00 0.00 53.44 49.83 3dwq n ALA 6 Cb 0.49 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.31 3dwq n ALA 6 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dwq s ARG 7 N 4.21 1.59 0.15 0.00 0.52 -1.06 -4.41 118.95 119.96 3dwq s ARG 7 Ca 0.53 -1.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.05 3dwq s ARG 7 Cb 0.10 0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.93 3dwq s ARG 7 CO 0.02 -0.65 1.34 -0.51 0.02 0.00 0.00 175.30 175.53 3dwq s ASP 8 N -3.08 6.87 0.04 0.23 1.01 -1.26 -2.03 116.67 118.45 3dwq s ASP 8 Ca 0.26 2.35 -0.09 0.00 0.71 0.00 0.00 52.55 55.78 3dwq s ASP 8 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3dwq s ASP 8 CO 0.11 -0.59 0.41 0.61 0.21 0.00 0.00 175.17 175.93 3dwq n GLY 9 N 2.94 0.86 3.16 0.21 0.00 0.34 -4.36 105.19 108.35 3dwq n GLY 9 Ca 0.09 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3dwq n GLY 9 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dwq s MET 10 N -2.01 0.48 -0.16 1.61 0.23 -1.22 -1.35 119.30 116.88 3dwq s MET 10 Ca 0.09 -0.06 0.01 0.00 -1.03 0.00 0.00 55.69 54.70 3dwq s MET 10 Cb -0.01 0.21 0.01 0.00 -1.53 0.00 0.00 34.83 33.52 3dwq s MET 10 CO 0.01 -0.11 -0.19 -0.06 -2.03 0.00 0.00 175.02 172.65 3dwq s PHE 11 N -0.83 2.75 0.16 3.16 0.40 -0.65 -4.99 117.98 117.99 3dwq s PHE 11 Ca -0.09 -1.34 0.03 0.00 -0.60 0.00 0.00 56.93 54.92 3dwq s PHE 11 Cb -0.05 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3dwq s PHE 11 CO 0.02 -0.64 0.30 -1.12 0.70 0.00 0.00 175.22 174.48 3dwq s SER 12 N 1.00 6.34 -0.95 1.36 0.01 -1.26 -1.00 113.70 119.20 3dwq s SER 12 Ca -0.02 0.17 -0.06 0.00 1.31 0.00 0.00 55.95 57.35 3dwq s SER 12 Cb -0.15 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.18 3dwq s SER 12 CO -0.05 0.03 0.83 0.61 0.41 0.00 0.00 173.24 175.07 3dwq n GLY 13 N -0.67 -0.11 3.71 3.44 0.00 -0.77 -4.78 105.19 106.01 3dwq n GLY 13 Ca -0.07 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3dwq n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwq s VAL 14 N -3.23 5.01 -0.24 1.61 1.01 0.16 -4.35 120.40 120.37 3dwq s VAL 14 Ca 0.36 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3dwq s VAL 14 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3dwq s VAL 14 CO 0.52 0.50 0.34 -0.69 0.00 0.00 0.00 175.10 175.77 3dwq s VAL 15 N -0.05 5.22 -0.27 2.92 1.01 -0.57 0.10 120.40 128.76 3dwq s VAL 15 Ca 0.08 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 3dwq s VAL 15 Cb -0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3dwq s VAL 15 CO 0.01 0.22 1.50 -0.63 0.00 0.00 0.00 175.10 176.20 3dwq s ILE 16 N 1.64 3.86 -0.04 2.22 1.01 -1.26 -1.86 121.20 126.76 3dwq s ILE 16 Ca 0.15 0.96 0.10 0.00 0.00 0.00 0.00 60.65 61.86 3dwq s ILE 16 Cb -0.15 -3.90 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 3dwq s ILE 16 CO 0.08 -0.39 0.16 0.35 0.00 0.00 0.00 174.94 175.14 3dwq n THR 17 N 6.42 0.24 -4.21 2.92 -2.24 0.07 -4.65 114.28 112.84 3dwq n THR 17 Ca 0.17 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.48 3dwq n THR 17 Cb 0.46 -0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 3dwq n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwq s GLN 18 N -2.55 0.71 -0.03 -0.78 -1.52 -1.00 -5.00 119.66 109.50 3dwq s GLN 18 Ca -0.04 -0.70 -0.00 0.00 -1.95 0.00 0.00 55.36 52.67 3dwq s GLN 18 Cb 0.05 -0.64 0.03 0.00 -0.22 0.00 0.00 33.01 32.23 3dwq s GLN 18 CO 0.42 0.15 0.02 0.12 -0.25 0.00 0.00 175.29 175.76 3dwq s PHE 19 N -0.96 0.14 -0.01 0.91 5.36 -1.26 -1.93 117.98 120.22 3dwq s PHE 19 Ca -0.02 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3dwq s PHE 19 Cb -0.08 -0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.26 3dwq s PHE 19 CO 0.01 -0.12 -0.09 -1.58 -1.46 0.00 0.00 175.22 171.98 3dwq s HIS 20 N 1.22 0.83 0.02 10.12 5.65 -0.37 -5.01 115.29 127.76 3dwq s HIS 20 Ca -0.07 -0.17 0.03 0.00 0.25 0.00 0.00 55.06 55.10 3dwq s HIS 20 Cb -0.13 -0.55 -0.02 0.00 -1.18 0.00 0.00 32.58 30.70 3dwq s HIS 20 CO -0.03 -0.03 -0.10 -0.08 -0.65 0.00 0.00 174.74 173.85 3dwq s THR 21 N -0.11 0.75 0.00 0.89 -1.32 -1.26 -0.06 115.64 114.52 3dwq s THR 21 Ca 0.02 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 3dwq s THR 21 Cb -0.05 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3dwq s THR 21 CO -0.00 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 3dwq n GLY 22 N 2.14 2.88 3.09 6.08 0.00 -0.39 -5.00 105.19 113.99 3dwq n GLY 22 Ca -0.18 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 3dwq n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwq s GLN 23 N 1.26 0.27 -0.08 1.61 0.74 -1.26 -1.38 119.66 120.82 3dwq s GLN 23 Ca 0.00 0.20 -0.04 0.00 0.05 0.00 0.00 55.36 55.57 3dwq s GLN 23 Cb 0.00 0.13 0.04 0.00 1.10 0.00 0.00 33.01 34.27 3dwq s GLN 23 CO 0.00 -0.04 0.19 -1.50 -0.55 0.00 0.00 175.29 173.39 3dwq s ILE 24 N -0.07 -0.04 -1.37 -2.34 2.07 -0.30 -4.93 121.20 114.23 3dwq s ILE 24 Ca -0.02 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 3dwq s ILE 24 Cb -0.02 -0.30 0.03 0.00 0.13 0.00 0.00 42.46 42.30 3dwq s ILE 24 CO 0.00 0.05 0.86 -0.67 -1.91 0.00 0.00 174.94 173.28 3dwq n ASP 25 N 3.95 -2.87 -2.03 4.50 2.03 -1.26 -1.38 116.55 119.50 3dwq n ASP 25 Ca -0.23 -0.76 -0.20 0.00 0.52 0.00 0.00 54.79 54.12 3dwq n ASP 25 Cb 0.54 -4.21 -0.03 0.00 -0.72 0.00 0.00 41.12 36.69 3dwq n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3dwq n ASN 26 N -2.99 -5.60 -3.97 1.67 5.15 -1.26 -5.00 115.26 103.25 3dwq n ASN 26 Ca -0.17 0.15 -0.26 0.00 -0.60 0.00 0.00 54.58 53.70 3dwq n ASN 26 Cb 0.62 -4.70 -0.17 0.00 -0.53 0.00 0.00 39.78 35.00 3dwq n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwq s LYS 27 N -4.57 1.69 0.46 1.20 1.02 -0.48 -5.11 119.74 113.94 3dwq s LYS 27 Ca 0.00 -0.36 -0.23 0.00 0.02 0.00 0.00 55.97 55.41 3dwq s LYS 27 Cb 0.00 -1.56 -0.08 0.00 -0.52 0.00 0.00 37.83 35.67 3dwq s LYS 27 CO 0.00 -0.13 1.15 -1.25 -0.92 0.00 0.00 175.35 174.19 3dwq s PRO 28 N 1.22 3.79 0.09 -1.68 0.04 -1.26 -1.14 135.00 136.05 3dwq s PRO 28 Ca -0.04 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 3dwq s PRO 28 Cb -0.14 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3dwq s PRO 28 CO -0.03 -0.51 0.16 1.52 0.04 0.00 0.00 177.00 178.18 3dwq s TYR 29 N -1.58 0.24 0.02 0.56 -0.85 -0.48 -1.24 117.35 114.03 3dwq s TYR 29 Ca 0.63 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 3dwq s TYR 29 Cb -0.27 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 41.93 3dwq s TYR 29 CO 0.33 -0.54 -0.04 -0.59 -1.52 0.00 0.00 175.55 173.20 3dwq s PHE 30 N -3.88 0.34 0.06 -3.49 -0.12 -0.37 -1.26 117.98 109.26 3dwq s PHE 30 Ca 0.07 -0.53 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 3dwq s PHE 30 Cb 0.05 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3dwq s PHE 30 CO -0.10 -0.17 -0.18 0.00 -0.05 0.00 0.00 175.22 174.73 3dwq s ILE 32 N -0.96 1.91 0.01 0.00 -4.36 -0.39 -1.24 121.20 116.18 3dwq s ILE 32 Ca 0.04 -1.62 0.07 0.00 -0.26 0.00 0.00 60.65 58.89 3dwq s ILE 32 Cb -0.09 -1.72 -0.02 0.00 1.25 0.00 0.00 42.46 41.88 3dwq s ILE 32 CO 0.02 0.00 -0.22 -0.70 0.24 0.00 0.00 174.94 174.28 3dwq s GLU 33 N -1.95 1.66 -0.02 0.37 -6.30 -0.81 -2.16 118.70 109.49 3dwq s GLU 33 Ca 0.09 -0.89 -0.06 0.00 -2.50 0.00 0.00 54.97 51.61 3dwq s GLU 33 Cb -0.10 -1.70 0.01 0.00 0.00 0.00 0.00 34.13 32.34 3dwq s GLU 33 CO 0.05 0.45 0.14 0.20 0.02 0.00 0.00 175.26 176.12 3dwq s GLY 34 N -0.83 -0.00 -0.07 -1.50 0.00 -0.40 -0.75 107.32 103.76 3dwq s GLY 34 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.87 3dwq s GLY 34 CO 0.00 -0.07 -0.14 0.54 0.00 0.00 0.00 173.10 173.44 3dwq s LYS 35 N -0.89 2.75 0.45 2.90 -0.14 -0.78 -1.34 119.74 122.69 3dwq s LYS 35 Ca -0.10 -0.69 -0.11 0.00 -1.36 0.00 0.00 55.97 53.71 3dwq s LYS 35 Cb -0.06 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 33.58 3dwq s LYS 35 CO 0.01 0.51 0.83 -0.65 -0.76 0.00 0.00 175.35 175.30 3dwq s GLN 36 N -0.44 3.77 0.64 1.68 -0.21 0.09 -1.52 119.66 123.66 3dwq s GLN 36 Ca 0.05 0.55 0.33 0.00 0.02 0.00 0.00 55.36 56.32 3dwq s GLN 36 Cb -0.12 -2.32 1.83 0.00 1.00 0.00 0.00 33.01 33.41 3dwq s GLN 36 CO 0.02 -0.14 2.09 0.66 -2.12 0.00 0.00 175.29 175.80 3dwq h SER 37 N 0.95 0.00 0.00 5.90 4.64 -1.89 0.57 113.55 123.71 3dwq h SER 37 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3dwq h SER 37 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3dwq h SER 37 CO 0.63 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 3dwq n ALA 38 N -2.11 2.51 -0.99 5.18 0.00 -1.26 -4.89 120.51 118.95 3dwq n ALA 38 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3dwq n ALA 38 Cb 0.30 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3dwq n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwq n GLY 39 N 0.68 0.90 3.75 0.00 0.00 0.20 -5.03 105.19 105.69 3dwq n GLY 39 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dwq n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwq s SER 40 N -2.81 6.83 0.09 1.61 0.15 -1.24 -4.76 113.70 113.57 3dwq s SER 40 Ca 0.00 2.54 0.08 0.00 0.70 0.00 0.00 55.95 59.27 3dwq s SER 40 Cb 0.00 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 3dwq s SER 40 CO 0.00 -0.54 -0.16 -0.55 1.20 0.00 0.00 173.24 173.19 3dwq s SER 41 N -0.00 4.00 -0.01 5.45 0.15 -1.26 -0.73 113.70 121.29 3dwq s SER 41 Ca 0.54 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.72 3dwq s SER 41 Cb -0.38 -0.65 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 3dwq s SER 41 CO 0.44 0.20 0.02 -0.51 1.20 0.00 0.00 173.24 174.59 3dwq s ILE 42 N -1.09 -0.03 0.02 6.45 1.10 -0.45 -5.00 121.20 122.21 3dwq s ILE 42 Ca 0.18 0.14 0.08 0.00 -0.51 0.00 0.00 60.65 60.53 3dwq s ILE 42 Cb -0.11 -0.07 -0.03 0.00 0.15 0.00 0.00 42.46 42.41 3dwq s ILE 42 CO 0.09 0.06 -0.22 -0.44 -2.11 0.00 0.00 174.94 172.33 3dwq s SER 43 N 0.71 3.50 -0.16 4.50 0.01 -1.26 -1.28 113.70 119.73 3dwq s SER 43 Ca -0.06 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.56 3dwq s SER 43 Cb -0.09 -0.49 0.05 0.00 0.21 0.00 0.00 66.02 65.70 3dwq s SER 43 CO -0.02 0.28 0.50 0.00 0.41 0.00 0.00 173.24 174.41 3dwq s ALA 44 N -0.81 -1.26 0.06 1.44 0.00 -0.92 -4.64 121.76 115.63 3dwq s ALA 44 Ca 0.13 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.48 3dwq s ALA 44 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3dwq s ALA 44 CO 0.03 -0.26 -0.26 0.00 0.00 0.00 0.00 175.76 175.27 3dwq s SER 46 N -1.37 3.12 -0.10 0.00 0.15 0.26 -0.15 113.70 115.61 3dwq s SER 46 Ca 0.12 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 56.25 3dwq s SER 46 Cb -0.10 -1.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.83 3dwq s SER 46 CO 0.03 0.16 -0.17 -0.32 1.20 0.00 0.00 173.24 174.14 3dwq s MET 47 N 0.32 2.37 0.27 5.44 0.00 -1.26 -1.23 119.30 125.20 3dwq s MET 47 Ca -0.18 -0.63 -0.30 0.00 0.00 0.00 0.00 55.69 54.59 3dwq s MET 47 Cb -0.18 -1.93 -0.10 0.00 0.00 0.00 0.00 34.83 32.62 3dwq s MET 47 CO 0.09 0.01 1.43 0.21 0.00 0.00 0.00 175.02 176.75 3dwq s LYS 48 N 0.78 4.26 -0.47 4.11 2.20 -0.37 -3.13 119.74 127.12 3dwq s LYS 48 Ca -0.11 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 3dwq s LYS 48 Cb -0.16 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3dwq s LYS 48 CO 0.01 -0.40 0.00 0.09 -0.36 0.00 0.00 175.35 174.70 3dwq n ASN 49 N 1.95 -4.88 -4.69 1.43 3.02 -1.25 -4.65 115.26 106.20 3dwq n ASN 49 Ca 0.05 0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 3dwq n ASN 49 Cb 0.40 -2.77 0.17 0.00 -0.61 0.00 0.00 39.78 36.98 3dwq n ASN 49 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dwq s SER 50 N -2.27 2.67 0.00 6.41 1.04 -1.18 -4.94 113.70 115.43 3dwq s SER 50 Ca 0.00 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.54 3dwq s SER 50 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 3dwq s SER 50 CO 0.00 -3.09 0.71 -1.54 0.98 0.00 0.00 173.24 170.30 3dwq n SER 51 N -4.14 0.00 -0.09 7.02 3.41 -1.26 -3.57 113.62 114.99 3dwq n SER 51 Ca 0.05 0.71 -0.23 0.00 -0.26 0.00 0.00 58.87 59.14 3dwq n SER 51 Cb 0.58 -0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 3dwq n SER 51 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3dwq n VAL 52 N -1.53 1.59 -0.21 -3.33 3.14 -1.26 -4.54 118.33 112.19 3dwq n VAL 52 Ca 0.00 -0.36 0.09 0.00 -2.96 0.00 0.00 64.34 61.11 3dwq n VAL 52 Cb 0.00 -1.82 0.24 0.00 -1.06 0.00 0.00 33.84 31.19 3dwq n VAL 52 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 3dwq n TRP 53 N -3.96 0.70 0.21 1.45 7.02 -1.26 -4.59 117.44 117.00 3dwq n TRP 53 Ca -0.40 -0.46 0.04 0.00 -1.02 0.00 0.00 57.50 55.66 3dwq n TRP 53 Cb 0.87 -0.01 0.44 0.00 -2.42 0.00 0.00 31.31 30.19 3dwq n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dwq h GLY 54 N 3.34 0.00 2.00 6.99 0.00 -1.72 -3.06 103.07 110.61 3dwq h GLY 54 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dwq h GLY 54 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 3dwq h ALA 55 N 1.73 1.63 -0.62 3.60 0.00 -1.82 -2.48 119.26 121.29 3dwq h ALA 55 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dwq h ALA 55 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dwq h ALA 55 CO 0.04 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3dwq n SER 56 N -4.06 4.37 0.04 0.00 3.41 -1.16 -4.65 113.62 111.57 3dwq n SER 56 Ca -0.03 -2.36 -0.11 0.00 -0.26 0.00 0.00 58.87 56.11 3dwq n SER 56 Cb 0.14 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3dwq n SER 56 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dwq h PHE 57 N 3.85 -0.61 -0.20 7.33 3.57 -1.60 -0.80 116.94 128.48 3dwq h PHE 57 Ca 0.00 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.34 3dwq h PHE 57 Cb 1.32 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 40.33 3dwq h PHE 57 CO 0.69 -0.31 -0.62 0.66 -2.23 0.00 0.00 178.31 176.50 3dwq h SER 58 N -0.34 0.78 -0.32 0.41 4.64 -1.85 0.35 113.55 117.22 3dwq h SER 58 Ca 0.07 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3dwq h SER 58 Cb 0.44 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3dwq h SER 58 CO -0.23 1.21 0.18 0.74 -0.87 0.00 0.00 176.83 177.86 3dwq h THR 59 N 0.51 1.13 -0.13 2.95 2.02 -1.87 -1.65 112.91 115.87 3dwq h THR 59 Ca -0.01 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.73 3dwq h THR 59 Cb 1.20 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3dwq h THR 59 CO 0.12 0.13 -0.47 -0.07 0.37 0.00 0.00 175.52 175.60 3dwq h LEU 60 N 0.40 0.34 0.02 2.58 3.38 -1.04 -1.86 115.31 119.13 3dwq h LEU 60 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dwq h LEU 60 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dwq h LEU 60 CO -0.02 0.76 -0.01 0.22 0.09 0.00 0.00 178.44 179.49 3dwq h TYR 61 N 0.25 -0.02 -0.53 1.13 3.20 -0.75 0.76 116.97 121.01 3dwq h TYR 61 Ca 0.01 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3dwq h TYR 61 Cb 0.93 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3dwq h TYR 61 CO 0.02 0.07 0.34 -0.91 -1.64 0.00 0.00 178.16 176.04 3dwq h ASN 62 N -0.11 0.56 -0.20 -2.11 2.35 -1.25 -1.89 115.58 112.94 3dwq h ASN 62 Ca -0.00 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 3dwq h ASN 62 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3dwq h ASN 62 CO 0.00 0.40 -0.52 -0.61 -1.65 0.00 0.00 177.43 175.05 3dwq h GLN 63 N 0.68 0.70 -0.43 0.81 5.75 -1.25 -1.36 115.11 120.01 3dwq h GLN 63 Ca 0.21 -0.49 -0.11 0.00 -0.15 0.00 0.00 58.65 58.11 3dwq h GLN 63 Cb -0.03 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3dwq h GLN 63 CO -0.07 1.11 -0.16 0.00 -2.65 0.00 0.00 178.83 177.06 3dwq h ALA 64 N 0.59 0.91 -0.17 3.38 0.00 -0.82 -0.55 119.26 122.60 3dwq h ALA 64 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3dwq h ALA 64 Cb 1.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3dwq h ALA 64 CO 0.11 0.62 -0.55 1.25 0.00 0.00 0.00 179.25 180.69 3dwq h LEU 65 N 0.72 0.56 -0.24 0.00 5.85 -1.35 -0.38 115.31 120.47 3dwq h LEU 65 Ca 0.11 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3dwq h LEU 65 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3dwq h LEU 65 CO 0.05 0.99 0.10 0.22 -0.34 0.00 0.00 178.44 179.46 3dwq h TYR 66 N 0.39 0.18 -0.07 1.25 3.20 -0.95 -2.12 116.97 118.86 3dwq h TYR 66 Ca 0.01 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3dwq h TYR 66 Cb 1.08 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 3dwq h TYR 66 CO 0.04 0.09 -0.57 0.74 -1.64 0.00 0.00 178.16 176.83 3dwq h PHE 67 N 0.22 0.26 -0.85 -3.82 0.04 -0.95 -2.05 116.94 109.78 3dwq h PHE 67 Ca 0.10 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3dwq h PHE 67 Cb 0.05 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3dwq h PHE 67 CO -0.11 0.72 0.47 -0.92 -0.60 0.00 0.00 178.31 177.87 3dwq h TYR 68 N 0.16 1.15 -0.23 -0.55 3.20 -1.01 -1.63 116.97 118.06 3dwq h TYR 68 Ca -0.00 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3dwq h TYR 68 Cb 1.04 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3dwq h TYR 68 CO 0.02 0.79 -0.19 1.15 -1.64 0.00 0.00 178.16 178.29 3dwq h THR 69 N 1.18 1.32 0.00 1.81 2.02 -0.91 -3.25 112.91 115.08 3dwq h THR 69 Ca 0.30 -1.34 -0.17 0.00 0.77 0.00 0.00 66.41 65.97 3dwq h THR 69 Cb 0.02 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3dwq h THR 69 CO -0.05 0.41 -0.79 0.71 0.37 0.00 0.00 175.52 176.17 3dwq h THR 70 N 0.23 1.56 -0.03 3.16 1.35 -1.38 -3.47 112.91 114.33 3dwq h THR 70 Ca 0.04 -2.72 -0.01 0.00 -0.55 0.00 0.00 66.41 63.16 3dwq h THR 70 Cb 0.73 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3dwq h THR 70 CO 0.05 0.78 -0.01 0.61 -0.25 0.00 0.00 175.52 176.70 3dwq n GLY 71 N 0.77 0.45 3.79 5.82 0.00 -0.62 -5.02 105.19 110.38 3dwq n GLY 71 Ca -0.01 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3dwq n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dwq s GLN 72 N -0.64 3.55 0.04 1.61 -2.07 -1.25 -4.86 119.66 116.05 3dwq s GLN 72 Ca 0.00 1.41 -0.31 0.00 -1.82 0.00 0.00 55.36 54.65 3dwq s GLN 72 Cb 0.00 -2.05 -0.06 0.00 -1.09 0.00 0.00 33.01 29.81 3dwq s GLN 72 CO 0.00 -0.65 1.34 -2.14 -1.32 0.00 0.00 175.29 172.52 3dwq s PRO 73 N -3.41 4.33 0.34 9.60 0.02 -1.26 -4.53 135.00 140.09 3dwq s PRO 73 Ca 0.68 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.67 3dwq s PRO 73 Cb -0.19 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 3dwq s PRO 73 CO 0.25 -0.45 0.11 0.14 -0.33 0.00 0.00 177.00 176.72 3dwq s VAL 74 N 1.70 0.73 -0.19 3.83 -7.23 0.12 -3.51 120.40 115.84 3dwq s VAL 74 Ca 0.62 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 3dwq s VAL 74 Cb -0.32 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3dwq s VAL 74 CO 0.28 0.00 0.06 -0.60 -0.31 0.00 0.00 175.10 174.53 3dwq s ARG 75 N -3.83 3.89 -0.32 4.82 3.52 -0.10 0.35 118.95 127.28 3dwq s ARG 75 Ca 0.32 -0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 55.42 3dwq s ARG 75 Cb 0.06 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3dwq s ARG 75 CO 0.15 0.18 0.20 0.42 -0.81 0.00 0.00 175.30 175.44 3dwq s ILE 76 N 0.62 5.02 -0.13 4.11 1.09 -0.17 -2.34 121.20 129.41 3dwq s ILE 76 Ca 0.03 -0.24 -0.19 0.00 -1.10 0.00 0.00 60.65 59.15 3dwq s ILE 76 Cb -0.13 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 3dwq s ILE 76 CO 0.02 0.06 0.51 -0.31 -0.10 0.00 0.00 174.94 175.12 3dwq s TYR 77 N 1.69 3.49 0.11 3.97 2.02 -0.70 -1.63 117.35 126.30 3dwq s TYR 77 Ca 0.06 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.68 3dwq s TYR 77 Cb -0.17 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 3dwq s TYR 77 CO 0.09 0.10 -0.02 1.52 -1.57 0.00 0.00 175.55 175.67 3dwq s TYR 78 N 0.85 0.89 -0.18 2.71 -0.85 -0.46 -0.15 117.35 120.16 3dwq s TYR 78 Ca 0.27 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.80 3dwq s TYR 78 Cb -0.15 -0.53 0.04 0.00 0.38 0.00 0.00 41.96 41.70 3dwq s TYR 78 CO 0.11 -0.27 -0.07 -2.00 -1.52 0.00 0.00 175.55 171.80 3dwq s GLU 79 N -3.90 1.68 0.58 -3.49 2.12 -0.13 -0.50 118.70 115.04 3dwq s GLU 79 Ca 0.16 -0.65 -0.18 0.00 0.36 0.00 0.00 54.97 54.65 3dwq s GLU 79 Cb 0.06 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 3dwq s GLU 79 CO -0.03 -0.43 1.13 -1.25 -0.54 0.00 0.00 175.26 174.14 3dwq s PRO 80 N 1.54 3.16 -0.14 4.30 0.04 -1.26 -1.05 135.00 141.57 3dwq s PRO 80 Ca -0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3dwq s PRO 80 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dwq s PRO 80 CO -0.08 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.37 3dwq n GLY 81 N -0.03 0.51 0.09 0.56 0.00 -1.21 -4.91 105.19 100.21 3dwq n GLY 81 Ca 0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3dwq n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwq h VAL 82 N 0.00 1.64 -3.36 1.61 2.07 -1.37 -3.44 116.25 113.40 3dwq h VAL 82 Ca -0.03 -2.34 -0.57 0.00 0.82 0.00 0.00 66.70 64.59 3dwq h VAL 82 Cb 0.13 3.20 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 3dwq h VAL 82 CO 0.04 0.63 0.12 0.26 0.02 0.00 0.00 177.57 178.65 3dwq s TRP 83 N -2.49 3.52 -0.01 1.57 0.23 -0.67 -4.95 118.94 116.14 3dwq s TRP 83 Ca -0.16 1.18 0.00 0.00 -2.03 0.00 0.00 56.10 55.09 3dwq s TRP 83 Cb -0.01 -2.82 -0.00 0.00 0.03 0.00 0.00 33.47 30.67 3dwq s TRP 83 CO 0.75 0.01 0.02 0.25 0.96 0.00 0.00 176.95 178.94 3dwq n THR 84 N 4.04 0.00 -2.02 2.01 -2.24 -1.26 -4.52 114.28 110.29 3dwq n THR 84 Ca -0.01 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3dwq n THR 84 Cb 0.51 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 3dwq n THR 84 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dwq s TYR 85 N -1.01 1.87 0.19 4.78 5.04 -1.26 -4.91 117.35 122.04 3dwq s TYR 85 Ca 0.00 0.58 -0.13 0.00 -2.44 0.00 0.00 57.07 55.08 3dwq s TYR 85 Cb 0.00 -4.11 0.20 0.00 0.35 0.00 0.00 41.96 38.41 3dwq s TYR 85 CO 0.01 -3.00 1.69 -1.35 -1.34 0.00 0.00 175.55 171.56 3dwq h PRO 86 N 12.33 0.13 -0.08 4.97 0.11 -1.99 -0.89 132.00 146.57 3dwq h PRO 86 Ca -0.34 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3dwq h PRO 86 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3dwq h PRO 86 CO 1.02 0.08 -0.07 -1.35 -0.21 0.00 0.00 178.00 177.48 3dwq h PRO 87 N 0.13 0.12 -0.17 1.05 0.11 -1.99 -0.10 132.00 131.15 3dwq h PRO 87 Ca 0.26 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 3dwq h PRO 87 Cb 0.39 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3dwq h PRO 87 CO -0.41 0.20 -0.03 0.35 -0.21 0.00 0.00 178.00 177.90 3dwq h PHE 88 N 0.12 0.37 -0.68 0.65 3.57 -1.60 -1.34 116.94 118.03 3dwq h PHE 88 Ca 0.03 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3dwq h PHE 88 Cb 0.21 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3dwq h PHE 88 CO 0.00 0.58 0.28 0.28 -2.23 0.00 0.00 178.31 177.22 3dwq h VAL 89 N 0.05 1.24 -0.18 1.41 2.07 -0.99 0.68 116.25 120.52 3dwq h VAL 89 Ca 0.05 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3dwq h VAL 89 Cb 0.46 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3dwq h VAL 89 CO 0.02 0.30 0.05 0.50 0.02 0.00 0.00 177.57 178.45 3dwq h LYS 90 N 0.96 0.29 -0.06 1.57 3.64 -1.00 -2.97 116.57 119.01 3dwq h LYS 90 Ca 0.23 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 3dwq h LYS 90 Cb 0.19 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3dwq h LYS 90 CO -0.02 0.42 -0.75 0.00 -2.27 0.00 0.00 179.45 176.83 3dwq h ALA 91 N 0.86 0.61 -3.00 5.00 0.00 -1.17 -3.45 119.26 118.10 3dwq h ALA 91 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3dwq h ALA 91 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dwq h ALA 91 CO 0.00 0.79 0.00 1.28 0.00 0.00 0.00 179.25 181.32 3dwq n LEU 92 N -3.81 0.00 -3.57 0.00 4.77 0.23 -5.09 117.00 109.52 3dwq n LEU 92 Ca -0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 3dwq n LEU 92 Cb 0.72 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3dwq n LEU 92 CO 0.48 0.00 0.93 0.28 -1.33 0.00 0.00 177.39 177.74 3dwq s THR 93 N 0.07 0.00 -0.63 -5.08 -1.32 -1.13 -4.94 115.64 102.62 3dwq s THR 93 Ca 0.00 -0.01 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 3dwq s THR 93 Cb 0.00 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 3dwq s THR 93 CO 0.00 0.00 1.25 -1.54 -2.21 0.00 0.00 174.62 172.12 3dwq n SER 94 N -0.14 0.68 -4.68 8.08 3.41 -1.26 -4.37 113.62 115.33 3dwq n SER 94 Ca -0.02 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3dwq n SER 94 Cb 0.59 0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 3dwq n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dwq s ASN 95 N -4.18 6.72 0.07 4.04 0.01 -1.26 -1.42 114.94 118.92 3dwq s ASN 95 Ca 0.06 2.26 -0.26 0.00 -0.71 0.00 0.00 52.86 54.21 3dwq s ASN 95 Cb 0.14 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 3dwq s ASN 95 CO 0.74 -0.83 0.80 0.00 -1.51 0.00 0.00 177.10 176.30 3dwq s ALA 96 N 2.91 3.35 -0.04 0.60 0.00 -0.22 -0.83 121.76 127.54 3dwq s ALA 96 Ca 0.69 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 3dwq s ALA 96 Cb -0.35 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3dwq s ALA 96 CO 0.29 0.07 1.17 -1.17 0.00 0.00 0.00 175.76 176.11 3dwq s LEU 97 N -0.13 4.30 0.00 0.00 2.96 0.78 -0.96 118.68 125.63 3dwq s LEU 97 Ca 0.40 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3dwq s LEU 97 Cb -0.21 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3dwq s LEU 97 CO 0.24 -0.53 0.00 0.52 -1.32 0.00 0.00 176.35 175.26 3dwq n VAL 98 N 4.45 0.00 0.00 1.68 0.31 0.78 -4.74 118.33 120.81 3dwq n VAL 98 Ca 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3dwq n VAL 98 Cb 0.47 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 3dwq n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dwq n GLY 99 N 1.98 0.58 3.05 2.92 0.00 -1.12 -4.66 105.19 107.95 3dwq n GLY 99 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3dwq n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwq s LEU 100 N 0.00 1.58 -0.02 0.99 1.43 -1.26 -1.71 118.68 119.68 3dwq s LEU 100 Ca 0.00 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3dwq s LEU 100 Cb 0.00 0.52 0.01 0.00 0.03 0.00 0.00 46.19 46.75 3dwq s LEU 100 CO 0.00 -0.21 0.11 -0.44 0.23 0.00 0.00 176.35 176.05 3dwq s SER 101 N -0.69 -0.04 0.61 2.29 0.01 -0.99 -4.98 113.70 109.92 3dwq s SER 101 Ca -0.08 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 3dwq s SER 101 Cb -0.05 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 3dwq s SER 101 CO 0.01 -0.18 1.12 0.42 0.41 0.00 0.00 173.24 175.02 3dwq s THR 102 N -0.58 3.20 -0.03 1.44 -4.23 -1.26 -0.93 115.64 113.25 3dwq s THR 102 Ca -0.07 0.63 0.07 0.00 -1.18 0.00 0.00 61.69 61.14 3dwq s THR 102 Cb -0.04 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 3dwq s THR 102 CO 0.01 -0.28 -0.23 0.00 -0.54 0.00 0.00 174.62 173.58 3dwq h THR 104 N 4.71 1.12 -4.94 0.00 1.35 -1.45 -3.48 112.91 110.21 3dwq h THR 104 Ca -0.39 -2.80 -0.54 0.00 -0.55 0.00 0.00 66.41 62.14 3dwq h THR 104 Cb 1.14 2.70 -0.13 0.00 -1.73 0.00 0.00 68.15 70.14 3dwq h THR 104 CO 0.47 0.79 -0.48 0.35 -0.25 0.00 0.00 175.52 176.41 3dwq n THR 105 N -3.39 0.00 0.31 6.82 -2.24 -0.86 -5.00 114.28 109.91 3dwq n THR 105 Ca -0.16 -2.45 0.18 0.00 -2.27 0.00 0.00 64.05 59.35 3dwq n THR 105 Cb 1.04 1.01 1.00 0.00 -2.10 0.00 0.00 70.33 71.27 3dwq n THR 105 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dwq h SER 106 N 1.82 0.00 0.00 3.42 4.64 -1.94 -3.20 113.55 118.29 3dwq h SER 106 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3dwq h SER 106 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dwq h SER 106 CO 0.45 0.02 -0.73 0.35 -0.87 0.00 0.00 176.83 176.05 3dwq n THR 107 N -3.40 0.00 -3.63 2.95 -2.24 -1.26 -2.26 114.28 104.44 3dwq n THR 107 Ca -0.02 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 3dwq n THR 107 Cb 0.12 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 3dwq n THR 107 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dwq s GLU 108 N -1.58 3.39 0.10 -0.78 2.12 -1.21 -4.93 118.70 115.82 3dwq s GLU 108 Ca 0.00 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.67 3dwq s GLU 108 Cb 0.00 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 3dwq s GLU 108 CO 0.00 -0.41 -0.07 0.00 -0.54 0.00 0.00 175.26 174.24 3dwq s PHE 110 N -3.23 3.38 0.00 0.00 5.36 -0.36 -4.85 117.98 118.27 3dwq s PHE 110 Ca 0.09 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3dwq s PHE 110 Cb 0.03 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 3dwq s PHE 110 CO -0.03 -1.38 0.00 0.41 -1.46 0.00 0.00 175.22 172.76 3dwq n GLY 111 N 2.21 -1.47 3.86 13.12 0.00 -1.26 -4.72 105.19 116.92 3dwq n GLY 111 Ca 0.05 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 3dwq n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwq s PRO 112 N 0.00 3.78 0.20 1.61 0.04 -1.26 -5.04 135.00 134.33 3dwq s PRO 112 Ca 0.00 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 3dwq s PRO 112 Cb 0.00 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3dwq s PRO 112 CO 0.00 -0.41 1.01 -0.51 0.04 0.00 0.00 177.00 177.13 3dwq s ASP 113 N -3.60 7.45 -0.56 6.66 1.01 -1.26 -4.91 116.67 121.46 3dwq s ASP 113 Ca 0.57 2.01 -0.05 0.00 0.71 0.00 0.00 52.55 55.78 3dwq s ASP 113 Cb -0.10 -2.61 0.14 0.00 1.01 0.00 0.00 42.92 41.36 3dwq s ASP 113 CO 0.42 -0.04 0.39 -0.60 0.21 0.00 0.00 175.17 175.55 3dwq s ARG 114 N -0.76 2.51 -0.03 8.23 3.52 -1.26 -4.57 118.95 126.58 3dwq s ARG 114 Ca 0.45 -2.17 -0.00 0.00 -0.13 0.00 0.00 55.73 53.88 3dwq s ARG 114 Cb -0.27 -3.81 0.03 0.00 -1.56 0.00 0.00 34.95 29.34 3dwq s ARG 114 CO 0.34 -1.17 0.05 0.21 -0.81 0.00 0.00 175.30 173.92 3dwq s LYS 115 N 0.59 -0.02 0.00 5.12 2.20 -0.86 -3.41 119.74 123.35 3dwq s LYS 115 Ca 0.12 0.22 0.29 0.00 -0.36 0.00 0.00 55.97 56.24 3dwq s LYS 115 Cb -0.21 -0.24 1.33 0.00 -1.51 0.00 0.00 37.83 37.19 3dwq s LYS 115 CO -0.03 -0.17 1.90 1.17 -0.36 0.00 0.00 175.35 177.86