#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 -0.65 0.30 -1.84 -0.00 -1.26 -5.04 118.94 110.45 3dwq s TRP 2 Ca 0.00 1.18 0.05 0.00 -0.00 0.00 0.00 56.10 57.32 3dwq s TRP 2 Cb 0.00 0.38 0.68 0.00 -0.00 0.00 0.00 33.47 34.53 3dwq s TRP 2 CO 0.00 -0.58 1.81 1.15 -0.00 0.00 0.00 176.95 179.33 3dwq h THR 3 N 3.14 0.81 -0.32 5.86 2.02 -1.99 -2.28 112.91 120.14 3dwq h THR 3 Ca -0.27 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3dwq h THR 3 Cb 1.14 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3dwq h THR 3 CO 0.35 0.16 0.00 0.61 0.37 0.00 0.00 175.52 177.01 3dwq n GLY 4 N -1.35 2.12 3.75 2.16 0.00 -1.26 -4.56 105.19 106.04 3dwq n GLY 4 Ca 0.21 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3dwq n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwq s ASP 5 N -0.49 5.16 -1.09 1.61 1.01 -0.86 -4.69 116.67 117.32 3dwq s ASP 5 Ca 0.29 2.73 -0.20 0.00 0.71 0.00 0.00 52.55 56.08 3dwq s ASP 5 Cb 0.21 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 3dwq s ASP 5 CO 0.10 -1.64 1.97 0.00 0.21 0.00 0.00 175.17 175.81 3dwq n ALA 6 N -1.18 3.50 -2.57 5.23 0.00 -1.26 -3.87 120.51 120.37 3dwq n ALA 6 Ca 0.11 -3.45 -0.11 0.00 0.00 0.00 0.00 53.44 49.99 3dwq n ALA 6 Cb 0.46 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.25 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 4.82 1.32 0.08 0.00 0.52 -0.99 -4.40 118.95 120.31 3dwq s ARG 7 Ca 0.57 -1.48 -0.31 0.00 -0.52 0.00 0.00 55.73 53.99 3dwq s ARG 7 Cb 0.09 0.34 -0.08 0.00 0.52 0.00 0.00 34.95 35.83 3dwq s ARG 7 CO 0.07 -0.48 1.45 -0.51 0.02 0.00 0.00 175.30 175.85 3dwq s ASP 8 N -3.10 6.78 0.00 0.23 1.01 -1.26 -2.33 116.67 117.99 3dwq s ASP 8 Ca 0.32 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.91 3dwq s ASP 8 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3dwq s ASP 8 CO 0.11 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.38 3dwq n GLY 9 N 3.63 1.04 3.35 0.21 0.00 0.26 -4.40 105.19 109.28 3dwq n GLY 9 Ca 0.13 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.02 0.69 -0.17 1.61 0.23 -1.22 -1.88 119.30 117.54 3dwq s MET 10 Ca 0.00 0.29 0.01 0.00 -1.03 0.00 0.00 55.69 54.96 3dwq s MET 10 Cb 0.00 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.64 3dwq s MET 10 CO 0.00 -0.16 -0.20 -0.06 -2.03 0.00 0.00 175.02 172.58 3dwq s PHE 11 N -0.57 2.76 0.14 3.16 2.99 -0.44 -5.00 117.98 121.03 3dwq s PHE 11 Ca -0.07 -1.53 0.01 0.00 0.00 0.00 0.00 56.93 55.35 3dwq s PHE 11 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 43.02 41.05 3dwq s PHE 11 CO 0.04 -0.74 0.29 -1.12 -0.00 0.00 0.00 175.22 173.69 3dwq s SER 12 N 1.16 6.36 -1.15 1.36 0.01 -1.26 -0.85 113.70 119.33 3dwq s SER 12 Ca 0.02 0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 3dwq s SER 12 Cb -0.14 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.14 3dwq s SER 12 CO -0.09 0.06 0.44 0.61 0.41 0.00 0.00 173.24 174.67 3dwq n GLY 13 N -0.32 -0.20 3.88 3.44 0.00 -0.82 -4.82 105.19 106.35 3dwq n GLY 13 Ca -0.06 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3dwq n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dwq s VAL 14 N -3.01 5.27 -0.24 1.61 -7.23 0.57 -4.26 120.40 113.12 3dwq s VAL 14 Ca 0.22 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.54 3dwq s VAL 14 Cb -0.10 -3.58 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 3dwq s VAL 14 CO 0.27 0.39 0.17 -0.69 -0.31 0.00 0.00 175.10 174.93 3dwq s VAL 15 N -1.28 5.36 -0.29 1.32 1.01 -0.68 0.93 120.40 126.77 3dwq s VAL 15 Ca 0.27 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3dwq s VAL 15 Cb -0.13 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3dwq s VAL 15 CO 0.15 0.35 1.59 -0.63 0.00 0.00 0.00 175.10 176.56 3dwq s ILE 16 N 1.02 3.72 -0.08 2.22 1.01 -1.26 -1.99 121.20 125.84 3dwq s ILE 16 Ca 0.08 0.78 0.12 0.00 0.00 0.00 0.00 60.65 61.63 3dwq s ILE 16 Cb -0.13 -3.82 -0.17 0.00 0.01 0.00 0.00 42.46 38.35 3dwq s ILE 16 CO 0.04 -0.42 0.13 0.35 0.00 0.00 0.00 174.94 175.04 3dwq n THR 17 N 6.75 0.54 -4.31 2.92 -2.24 0.42 -4.64 114.28 113.72 3dwq n THR 17 Ca 0.19 -0.44 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 3dwq n THR 17 Cb 0.46 -0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.51 0.81 -0.02 -0.78 -0.21 -0.95 -4.99 119.66 111.01 3dwq s GLN 18 Ca -0.06 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.70 3dwq s GLN 18 Cb 0.05 -0.77 0.02 0.00 1.00 0.00 0.00 33.01 33.31 3dwq s GLN 18 CO 0.51 0.19 -0.01 0.12 -2.12 0.00 0.00 175.29 173.99 3dwq s PHE 19 N -0.74 0.35 -0.01 0.91 5.36 -1.26 -1.40 117.98 121.19 3dwq s PHE 19 Ca 0.00 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 3dwq s PHE 19 Cb -0.07 -0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 3dwq s PHE 19 CO 0.01 -0.11 -0.03 -1.58 -1.46 0.00 0.00 175.22 172.06 3dwq s HIS 20 N 0.74 0.27 0.04 10.12 5.65 -0.13 -4.99 115.29 126.99 3dwq s HIS 20 Ca -0.08 -0.04 0.04 0.00 0.25 0.00 0.00 55.06 55.23 3dwq s HIS 20 Cb -0.11 -0.21 -0.02 0.00 -1.18 0.00 0.00 32.58 31.06 3dwq s HIS 20 CO -0.01 -0.02 -0.12 -0.08 -0.65 0.00 0.00 174.74 173.85 3dwq s THR 21 N 0.09 0.95 0.00 0.89 -1.32 -1.26 0.21 115.64 115.19 3dwq s THR 21 Ca -0.01 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 3dwq s THR 21 Cb -0.03 -0.89 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3dwq s THR 21 CO -0.00 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 3dwq n GLY 22 N 1.83 2.78 3.12 6.08 0.00 -0.77 -5.01 105.19 113.23 3dwq n GLY 22 Ca -0.19 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 1.52 0.30 -0.07 1.61 0.74 -1.26 -1.72 119.66 120.77 3dwq s GLN 23 Ca 0.00 0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.65 3dwq s GLN 23 Cb 0.00 0.14 0.04 0.00 1.10 0.00 0.00 33.01 34.29 3dwq s GLN 23 CO 0.00 -0.04 0.15 -1.50 -0.55 0.00 0.00 175.29 173.35 3dwq s ILE 24 N 0.00 -0.08 -1.38 -2.34 2.07 -0.43 -4.92 121.20 114.12 3dwq s ILE 24 Ca -0.01 0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 3dwq s ILE 24 Cb -0.02 -0.26 0.03 0.00 0.13 0.00 0.00 42.46 42.34 3dwq s ILE 24 CO 0.01 0.08 0.83 -0.67 -1.91 0.00 0.00 174.94 173.27 3dwq n ASP 25 N 4.35 -2.61 -0.25 4.50 2.03 -1.26 -1.35 116.55 121.96 3dwq n ASP 25 Ca -0.24 -0.78 -0.03 0.00 0.52 0.00 0.00 54.79 54.26 3dwq n ASP 25 Cb 0.51 -4.10 -0.01 0.00 -0.72 0.00 0.00 41.12 36.80 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 -4.86 -4.24 1.67 5.15 -1.26 -5.00 115.26 103.73 3dwq n ASN 26 Ca -0.18 0.08 -0.34 0.00 -0.60 0.00 0.00 54.58 53.54 3dwq n ASN 26 Cb 0.62 -2.65 -0.15 0.00 -0.53 0.00 0.00 39.78 37.08 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 -1.74 3.23 0.42 1.20 -0.14 -0.46 -5.11 119.74 117.15 3dwq s LYS 27 Ca 0.00 -0.70 -0.25 0.00 -1.36 0.00 0.00 55.97 53.65 3dwq s LYS 27 Cb 0.00 -2.83 -0.08 0.00 -1.68 0.00 0.00 37.83 33.23 3dwq s LYS 27 CO 0.00 -0.20 1.31 -2.14 -0.76 0.00 0.00 175.35 173.56 3dwq s PRO 28 N 1.39 3.87 0.11 -1.68 0.02 -1.26 -1.32 135.00 136.13 3dwq s PRO 28 Ca 0.05 2.15 -0.05 0.00 0.02 0.00 0.00 61.00 63.17 3dwq s PRO 28 Cb -0.14 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 3dwq s PRO 28 CO -0.07 -0.58 0.14 1.52 -0.33 0.00 0.00 177.00 177.69 3dwq s TYR 29 N -1.28 0.46 0.06 6.54 -0.85 -0.70 -0.46 117.35 121.12 3dwq s TYR 29 Ca 0.59 -0.89 0.01 0.00 -0.52 0.00 0.00 57.07 56.26 3dwq s TYR 29 Cb -0.38 -0.22 -0.03 0.00 0.38 0.00 0.00 41.96 41.70 3dwq s TYR 29 CO 0.48 -0.56 -0.06 -0.59 -1.52 0.00 0.00 175.55 173.31 3dwq s PHE 30 N -3.95 0.66 0.05 -3.49 -0.12 -0.13 -1.84 117.98 109.16 3dwq s PHE 30 Ca 0.13 -0.74 0.05 0.00 -0.05 0.00 0.00 56.93 56.32 3dwq s PHE 30 Cb 0.06 -0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.02 3dwq s PHE 30 CO -0.05 -0.17 -0.13 0.00 -0.05 0.00 0.00 175.22 174.81 3dwq s ILE 32 N -1.04 1.72 -0.05 0.00 -4.36 -0.26 -0.96 121.20 116.25 3dwq s ILE 32 Ca -0.01 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 3dwq s ILE 32 Cb -0.09 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.83 3dwq s ILE 32 CO 0.02 -0.35 -0.13 -0.70 0.24 0.00 0.00 174.94 174.01 3dwq s GLU 33 N -2.83 1.62 -0.01 0.37 -6.30 -0.50 -2.11 118.70 108.95 3dwq s GLU 33 Ca 0.15 -0.45 0.05 0.00 -2.50 0.00 0.00 54.97 52.22 3dwq s GLU 33 Cb -0.05 -1.37 -0.01 0.00 0.00 0.00 0.00 34.13 32.70 3dwq s GLU 33 CO 0.06 0.09 -0.17 0.20 0.02 0.00 0.00 175.26 175.47 3dwq s GLY 34 N 0.44 0.82 -0.10 -1.50 0.00 0.13 -0.44 107.32 106.67 3dwq s GLY 34 Ca -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 3dwq s GLY 34 CO 0.03 -0.62 -0.06 0.54 0.00 0.00 0.00 173.10 172.99 3dwq s LYS 35 N -0.46 3.10 0.61 2.90 -0.14 -0.84 -1.05 119.74 123.86 3dwq s LYS 35 Ca 0.06 -0.54 -0.05 0.00 -1.36 0.00 0.00 55.97 54.09 3dwq s LYS 35 Cb -0.07 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.40 3dwq s LYS 35 CO -0.00 0.51 0.90 -0.65 -0.76 0.00 0.00 175.35 175.35 3dwq s GLN 36 N -0.38 2.64 0.24 1.68 -0.21 0.55 -1.68 119.66 122.51 3dwq s GLN 36 Ca 0.06 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.15 3dwq s GLN 36 Cb -0.12 -2.29 0.43 0.00 1.00 0.00 0.00 33.01 32.03 3dwq s GLN 36 CO 0.02 -0.85 1.67 0.77 -2.12 0.00 0.00 175.29 174.78 3dwq h SER 37 N -0.24 -0.13 0.69 5.90 0.02 -1.89 0.02 113.55 117.92 3dwq h SER 37 Ca -0.45 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3dwq h SER 37 Cb 1.28 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.07 3dwq h SER 37 CO 0.59 -0.09 0.00 0.00 -1.14 0.00 0.00 176.83 176.19 3dwq n ALA 38 N -2.75 1.74 0.00 3.77 0.00 -1.26 -4.87 120.51 117.14 3dwq n ALA 38 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3dwq n ALA 38 Cb 0.45 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.17 0.53 3.77 0.00 0.00 -0.01 -5.09 105.19 104.57 3dwq n GLY 39 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3dwq n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwq s SER 40 N -2.01 6.12 0.03 1.61 0.01 -1.26 -4.65 113.70 113.54 3dwq s SER 40 Ca 0.00 3.03 0.06 0.00 1.31 0.00 0.00 55.95 60.35 3dwq s SER 40 Cb 0.00 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3dwq s SER 40 CO 0.00 -1.03 -0.16 -0.55 0.41 0.00 0.00 173.24 171.92 3dwq s SER 41 N -0.27 3.97 -0.02 2.44 0.15 -1.26 -0.33 113.70 118.38 3dwq s SER 41 Ca 0.56 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3dwq s SER 41 Cb -0.46 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 3dwq s SER 41 CO 0.61 0.26 0.01 -0.51 1.20 0.00 0.00 173.24 174.82 3dwq s ILE 42 N -0.93 0.07 0.02 6.45 1.10 -0.21 -5.00 121.20 122.69 3dwq s ILE 42 Ca 0.15 0.13 0.06 0.00 -0.51 0.00 0.00 60.65 60.48 3dwq s ILE 42 Cb -0.11 -0.17 -0.03 0.00 0.15 0.00 0.00 42.46 42.30 3dwq s ILE 42 CO 0.06 0.11 -0.15 -0.44 -2.11 0.00 0.00 174.94 172.41 3dwq s SER 43 N 0.96 4.04 -0.18 4.50 0.01 -1.26 -0.69 113.70 121.07 3dwq s SER 43 Ca -0.09 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 3dwq s SER 43 Cb -0.12 -0.76 0.05 0.00 0.21 0.00 0.00 66.02 65.39 3dwq s SER 43 CO -0.02 0.28 0.47 0.00 0.41 0.00 0.00 173.24 174.37 3dwq s ALA 44 N -0.91 -1.16 0.05 1.44 0.00 -0.89 -4.65 121.76 115.63 3dwq s ALA 44 Ca 0.15 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.55 3dwq s ALA 44 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3dwq s ALA 44 CO 0.05 -0.23 -0.23 0.00 0.00 0.00 0.00 175.76 175.35 3dwq s SER 46 N -1.40 2.95 -0.07 0.00 0.15 0.41 -0.42 113.70 115.31 3dwq s SER 46 Ca 0.13 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.30 3dwq s SER 46 Cb -0.10 -1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 3dwq s SER 46 CO 0.04 0.17 -0.21 -0.32 1.20 0.00 0.00 173.24 174.11 3dwq s MET 47 N 0.27 2.44 0.13 5.44 1.75 -1.26 -0.95 119.30 127.10 3dwq s MET 47 Ca -0.15 -0.75 -0.31 0.00 -1.25 0.00 0.00 55.69 53.22 3dwq s MET 47 Cb -0.17 -1.96 -0.08 0.00 2.84 0.00 0.00 34.83 35.46 3dwq s MET 47 CO 0.07 0.22 1.41 0.21 -0.65 0.00 0.00 175.02 176.28 3dwq s LYS 48 N 0.20 4.31 -1.72 4.11 2.20 0.39 -3.26 119.74 125.97 3dwq s LYS 48 Ca -0.11 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3dwq s LYS 48 Cb -0.15 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 3dwq s LYS 48 CO 0.05 -0.44 0.00 0.09 -0.36 0.00 0.00 175.35 174.69 3dwq n ASN 49 N 3.82 -5.03 -4.17 1.43 5.03 -1.24 -4.62 115.26 110.48 3dwq n ASN 49 Ca 0.11 0.33 -0.29 0.00 0.87 0.00 0.00 54.58 55.60 3dwq n ASN 49 Cb 0.42 -4.04 -0.17 0.00 -1.02 0.00 0.00 39.78 34.98 3dwq n ASN 49 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3dwq s SER 50 N -2.70 2.63 0.92 6.41 0.01 -1.20 -4.96 113.70 114.80 3dwq s SER 50 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3dwq s SER 50 Cb 0.00 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.23 3dwq s SER 50 CO 0.00 0.15 0.00 -1.54 0.41 0.00 0.00 173.24 172.26 3dwq n SER 51 N 3.37 -4.13 0.18 2.44 3.41 -1.26 -2.00 113.62 115.64 3dwq n SER 51 Ca -0.19 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.47 3dwq n SER 51 Cb 0.53 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.79 3dwq n SER 51 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3dwq h VAL 52 N 0.00 0.95 -0.09 -3.33 -1.51 -1.99 -3.24 116.25 107.04 3dwq h VAL 52 Ca 0.00 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 3dwq h VAL 52 Cb 0.00 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3dwq h VAL 52 CO 0.00 0.39 0.00 0.79 -1.23 0.00 0.00 177.57 177.52 3dwq n TRP 53 N -3.57 0.10 0.25 5.19 7.02 -1.26 -4.29 117.44 120.88 3dwq n TRP 53 Ca -0.00 -0.05 0.08 0.00 -1.02 0.00 0.00 57.50 56.50 3dwq n TRP 53 Cb 0.52 0.00 0.62 0.00 -2.42 0.00 0.00 31.31 30.03 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 4.88 0.00 2.00 6.99 0.00 -1.43 -2.69 103.07 112.83 3dwq h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwq h GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dwq h ALA 55 N 1.95 1.00 -0.01 3.60 0.00 -1.85 -2.70 119.26 121.25 3dwq h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dwq h ALA 55 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dwq h ALA 55 CO 0.01 0.00 -0.47 0.43 0.00 0.00 0.00 179.25 179.21 3dwq n SER 56 N -3.03 1.13 -0.26 0.00 7.64 -1.01 -4.62 113.62 113.47 3dwq n SER 56 Ca -0.02 -0.90 -0.01 0.00 1.01 0.00 0.00 58.87 58.95 3dwq n SER 56 Cb 0.15 0.37 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 3dwq n SER 56 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dwq h PHE 57 N 1.03 -0.73 -0.37 1.43 3.57 -1.62 0.22 116.94 120.46 3dwq h PHE 57 Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3dwq h PHE 57 Cb 0.56 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3dwq h PHE 57 CO 0.00 -0.37 0.08 0.77 -2.23 0.00 0.00 178.31 176.56 3dwq h SER 58 N -0.07 0.57 -0.27 0.41 0.02 -1.85 0.48 113.55 112.84 3dwq h SER 58 Ca 0.31 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3dwq h SER 58 Cb 0.57 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3dwq h SER 58 CO -0.78 0.66 0.09 0.74 -1.14 0.00 0.00 176.83 176.41 3dwq h THR 59 N 0.45 1.19 -0.35 -2.27 2.02 -1.75 -2.16 112.91 110.04 3dwq h THR 59 Ca 0.12 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 3dwq h THR 59 Cb 0.32 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3dwq h THR 59 CO 0.00 0.20 -0.19 -0.07 0.37 0.00 0.00 175.52 175.83 3dwq h LEU 60 N 0.28 0.65 0.03 2.58 3.38 -0.85 -0.24 115.31 121.13 3dwq h LEU 60 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dwq h LEU 60 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dwq h LEU 60 CO -0.00 0.84 -0.01 0.22 0.09 0.00 0.00 178.44 179.57 3dwq h TYR 61 N 0.58 -0.04 -0.48 1.13 3.20 -0.86 0.35 116.97 120.84 3dwq h TYR 61 Ca 0.09 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.03 3dwq h TYR 61 Cb 0.65 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 3dwq h TYR 61 CO 0.03 0.20 0.12 -0.91 -1.64 0.00 0.00 178.16 175.96 3dwq h ASN 62 N -0.27 0.07 0.08 -2.11 2.35 -1.25 -1.58 115.58 112.86 3dwq h ASN 62 Ca -0.00 0.07 -0.24 0.00 -0.55 0.00 0.00 56.30 55.58 3dwq h ASN 62 Cb 0.25 0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.72 3dwq h ASN 62 CO 0.01 0.07 -0.93 -0.61 -1.65 0.00 0.00 177.43 174.31 3dwq h GLN 63 N 0.27 0.62 -0.45 0.81 5.75 -0.99 -2.12 115.11 119.00 3dwq h GLN 63 Ca 0.24 -0.61 -0.08 0.00 -0.15 0.00 0.00 58.65 58.04 3dwq h GLN 63 Cb 0.29 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3dwq h GLN 63 CO -0.28 1.22 -0.05 0.00 -2.65 0.00 0.00 178.83 177.07 3dwq h ALA 64 N 0.58 0.61 -0.33 3.38 0.00 -0.88 -0.80 119.26 121.82 3dwq h ALA 64 Ca -0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3dwq h ALA 64 Cb 1.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3dwq h ALA 64 CO 0.18 0.45 -0.25 1.25 0.00 0.00 0.00 179.25 180.88 3dwq h LEU 65 N 0.67 0.67 0.21 0.00 5.85 -1.33 0.44 115.31 121.82 3dwq h LEU 65 Ca 0.12 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3dwq h LEU 65 Cb 0.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3dwq h LEU 65 CO 0.03 0.90 -0.20 0.22 -0.34 0.00 0.00 178.44 179.05 3dwq h TYR 66 N 0.58 -0.54 -0.28 1.25 3.20 -1.25 -1.62 116.97 118.31 3dwq h TYR 66 Ca 0.08 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3dwq h TYR 66 Cb 0.73 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3dwq h TYR 66 CO 0.03 -0.30 -0.06 0.74 -1.64 0.00 0.00 178.16 176.93 3dwq h PHE 67 N -0.44 0.46 -0.44 -3.82 0.04 -0.92 -1.64 116.94 110.17 3dwq h PHE 67 Ca -0.00 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3dwq h PHE 67 Cb 0.41 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3dwq h PHE 67 CO -0.15 0.50 0.02 -0.92 -0.60 0.00 0.00 178.31 177.16 3dwq h TYR 68 N 0.42 0.75 -0.24 -0.55 3.20 -0.83 -0.79 116.97 118.93 3dwq h TYR 68 Ca 0.09 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3dwq h TYR 68 Cb 0.37 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3dwq h TYR 68 CO 0.01 0.69 -0.19 1.15 -1.64 0.00 0.00 178.16 178.19 3dwq h THR 69 N 0.67 1.31 -0.01 1.81 2.02 -0.41 -3.25 112.91 115.07 3dwq h THR 69 Ca 0.14 -1.32 -0.16 0.00 0.77 0.00 0.00 66.41 65.83 3dwq h THR 69 Cb 0.39 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3dwq h THR 69 CO 0.01 0.41 -0.76 0.71 0.37 0.00 0.00 175.52 176.27 3dwq h THR 70 N 0.25 1.51 -0.25 3.16 1.35 -1.30 -3.47 112.91 114.15 3dwq h THR 70 Ca 0.04 -2.51 -0.11 0.00 -0.55 0.00 0.00 66.41 63.29 3dwq h THR 70 Cb 0.72 2.36 -0.04 0.00 -1.73 0.00 0.00 68.15 69.46 3dwq h THR 70 CO 0.05 0.72 -0.10 0.61 -0.25 0.00 0.00 175.52 176.55 3dwq n GLY 71 N 0.63 0.76 3.79 5.82 0.00 -0.31 -5.02 105.19 110.86 3dwq n GLY 71 Ca -0.01 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.02 3.67 0.12 1.61 -2.07 -1.25 -4.87 119.66 114.86 3dwq s GLN 72 Ca 0.00 1.49 -0.31 0.00 -1.82 0.00 0.00 55.36 54.72 3dwq s GLN 72 Cb 0.00 -2.12 -0.08 0.00 -1.09 0.00 0.00 33.01 29.72 3dwq s GLN 72 CO 0.00 -0.56 1.45 -2.14 -1.32 0.00 0.00 175.29 172.72 3dwq s PRO 73 N -3.15 4.28 0.28 9.60 0.02 -1.26 -4.52 135.00 140.24 3dwq s PRO 73 Ca 0.68 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.88 3dwq s PRO 73 Cb -0.20 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 3dwq s PRO 73 CO 0.24 -0.51 0.09 0.14 -0.33 0.00 0.00 177.00 176.63 3dwq s VAL 74 N 1.30 0.65 -0.22 3.83 -7.23 0.26 -3.37 120.40 115.62 3dwq s VAL 74 Ca 0.67 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.75 3dwq s VAL 74 Cb -0.38 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 3dwq s VAL 74 CO 0.30 0.00 0.10 -0.60 -0.31 0.00 0.00 175.10 174.59 3dwq s ARG 75 N -3.99 3.93 -0.33 4.82 3.52 0.74 -0.32 118.95 127.32 3dwq s ARG 75 Ca 0.37 -0.35 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 3dwq s ARG 75 Cb 0.08 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3dwq s ARG 75 CO 0.14 0.08 0.46 0.42 -0.81 0.00 0.00 175.30 175.59 3dwq s ILE 76 N 0.94 5.08 -0.13 4.11 -1.09 -0.03 -2.23 121.20 127.85 3dwq s ILE 76 Ca 0.05 0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 58.61 3dwq s ILE 76 Cb -0.14 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3dwq s ILE 76 CO 0.03 -0.12 0.52 -0.31 -1.23 0.00 0.00 174.94 173.84 3dwq s TYR 77 N 2.25 3.49 0.05 3.97 2.02 -0.74 -1.33 117.35 127.06 3dwq s TYR 77 Ca 0.17 0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 57.78 3dwq s TYR 77 Cb -0.16 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 3dwq s TYR 77 CO 0.12 0.10 -0.03 1.52 -1.57 0.00 0.00 175.55 175.69 3dwq s TYR 78 N 0.87 0.48 -0.20 2.71 -0.85 -0.79 -1.01 117.35 118.55 3dwq s TYR 78 Ca 0.28 -0.98 0.01 0.00 -0.52 0.00 0.00 57.07 55.85 3dwq s TYR 78 Cb -0.16 -0.36 0.05 0.00 0.38 0.00 0.00 41.96 41.88 3dwq s TYR 78 CO 0.11 -0.35 -0.09 -2.00 -1.52 0.00 0.00 175.55 171.71 3dwq s GLU 79 N -3.52 1.89 0.54 -3.49 2.12 -0.22 -0.58 118.70 115.43 3dwq s GLU 79 Ca 0.03 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 3dwq s GLU 79 Cb 0.05 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 3dwq s GLU 79 CO -0.09 -0.47 1.14 -1.25 -0.54 0.00 0.00 175.26 174.05 3dwq s PRO 80 N 1.41 3.37 0.00 4.30 0.04 -1.26 -1.15 135.00 141.71 3dwq s PRO 80 Ca -0.02 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3dwq s PRO 80 Cb -0.17 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3dwq s PRO 80 CO -0.08 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3dwq n GLY 81 N 0.20 0.71 0.10 0.56 0.00 -1.21 -4.91 105.19 100.63 3dwq n GLY 81 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 1.54 -3.38 1.61 2.07 -1.47 -3.44 116.25 113.18 3dwq h VAL 82 Ca 0.00 -1.90 -0.55 0.00 0.82 0.00 0.00 66.70 65.07 3dwq h VAL 82 Cb 0.00 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3dwq h VAL 82 CO 0.00 0.52 0.09 0.26 0.02 0.00 0.00 177.57 178.46 3dwq s TRP 83 N -3.20 3.73 0.00 1.57 0.23 -0.72 -4.96 118.94 115.60 3dwq s TRP 83 Ca -0.16 1.38 0.00 0.00 -2.03 0.00 0.00 56.10 55.29 3dwq s TRP 83 Cb 0.01 -2.73 0.00 0.00 0.03 0.00 0.00 33.47 30.78 3dwq s TRP 83 CO 0.74 0.33 0.00 0.25 0.96 0.00 0.00 176.95 179.23 3dwq n THR 84 N 2.64 0.00 -1.71 2.01 -2.24 -1.26 -4.61 114.28 109.11 3dwq n THR 84 Ca -0.05 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 3dwq n THR 84 Cb 0.50 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.20 1.33 0.22 4.78 5.04 -1.26 -4.90 117.35 121.36 3dwq s TYR 85 Ca 0.00 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 55.02 3dwq s TYR 85 Cb 0.00 -3.99 0.33 0.00 0.35 0.00 0.00 41.96 38.65 3dwq s TYR 85 CO 0.00 -3.94 1.71 -1.35 -1.34 0.00 0.00 175.55 170.63 3dwq h PRO 86 N 14.13 0.30 -0.48 4.97 0.11 -1.99 -1.37 132.00 147.67 3dwq h PRO 86 Ca -0.40 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3dwq h PRO 86 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3dwq h PRO 86 CO 0.97 0.20 0.11 -1.35 -0.21 0.00 0.00 178.00 177.72 3dwq h PRO 87 N 0.31 0.72 0.22 1.05 0.11 -2.00 -1.23 132.00 131.18 3dwq h PRO 87 Ca 0.34 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 3dwq h PRO 87 Cb 0.50 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3dwq h PRO 87 CO -0.40 0.66 -0.10 0.35 -0.21 0.00 0.00 178.00 178.29 3dwq h PHE 88 N 0.70 -0.27 -0.90 0.65 3.57 -1.71 -2.32 116.94 116.66 3dwq h PHE 88 Ca 0.16 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3dwq h PHE 88 Cb 0.27 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3dwq h PHE 88 CO 0.01 -0.16 0.54 0.28 -2.23 0.00 0.00 178.31 176.76 3dwq h VAL 89 N -0.30 1.25 -0.19 1.41 2.07 -1.10 -0.31 116.25 119.07 3dwq h VAL 89 Ca -0.03 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3dwq h VAL 89 Cb 0.23 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3dwq h VAL 89 CO 0.05 0.26 -0.01 0.50 0.02 0.00 0.00 177.57 178.39 3dwq h LYS 90 N 1.24 0.35 0.00 1.57 3.64 -1.23 -3.00 116.57 119.14 3dwq h LYS 90 Ca 0.32 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3dwq h LYS 90 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3dwq h LYS 90 CO -0.06 0.57 -0.47 0.00 -2.27 0.00 0.00 179.45 177.21 3dwq h ALA 91 N 0.77 0.81 -3.00 5.00 0.00 -1.26 -3.45 119.26 118.12 3dwq h ALA 91 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3dwq h ALA 91 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dwq h ALA 91 CO 0.01 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3dwq n LEU 92 N -3.38 0.00 -3.56 0.00 4.77 -0.14 -5.10 117.00 109.59 3dwq n LEU 92 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 3dwq n LEU 92 Cb 0.64 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3dwq n LEU 92 CO 0.39 0.00 0.74 0.28 -1.33 0.00 0.00 177.39 177.47 3dwq s THR 93 N 0.58 0.00 -0.64 -5.08 -1.32 -1.14 -4.95 115.64 103.09 3dwq s THR 93 Ca 0.00 -0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.60 3dwq s THR 93 Cb 0.00 -1.21 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 3dwq s THR 93 CO 0.00 0.00 1.28 -1.54 -2.21 0.00 0.00 174.62 172.15 3dwq n SER 94 N -0.28 0.68 -4.69 8.08 3.41 -1.26 -4.34 113.62 115.21 3dwq n SER 94 Ca -0.07 0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3dwq n SER 94 Cb 0.61 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -4.15 6.75 0.02 4.04 0.01 -1.26 -1.71 114.94 118.65 3dwq s ASN 95 Ca 0.06 2.29 -0.20 0.00 -0.71 0.00 0.00 52.86 54.30 3dwq s ASN 95 Cb 0.14 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 3dwq s ASN 95 CO 0.73 -0.77 0.60 0.00 -1.51 0.00 0.00 177.10 176.15 3dwq s ALA 96 N 2.21 3.50 -0.05 0.60 0.00 -0.30 -0.92 121.76 126.79 3dwq s ALA 96 Ca 0.68 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 3dwq s ALA 96 Cb -0.36 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3dwq s ALA 96 CO 0.29 0.22 1.19 -1.17 0.00 0.00 0.00 175.76 176.29 3dwq s LEU 97 N -0.40 4.28 0.00 0.00 2.96 0.43 -1.06 118.68 124.90 3dwq s LEU 97 Ca 0.31 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 3dwq s LEU 97 Cb -0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3dwq s LEU 97 CO 0.18 -0.57 0.18 1.33 -1.32 0.00 0.00 176.35 176.15 3dwq n VAL 98 N 4.57 0.00 0.00 1.68 0.24 -0.18 -4.76 118.33 119.89 3dwq n VAL 98 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3dwq n VAL 98 Cb 0.46 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3dwq n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwq n GLY 99 N 0.52 0.94 3.04 7.63 0.00 -1.18 -4.67 105.19 111.47 3dwq n GLY 99 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 1.68 -0.03 0.99 1.43 -1.26 -1.79 118.68 119.70 3dwq s LEU 100 Ca 0.00 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3dwq s LEU 100 Cb 0.00 0.47 0.01 0.00 0.03 0.00 0.00 46.19 46.70 3dwq s LEU 100 CO 0.00 -0.24 0.11 -0.44 0.23 0.00 0.00 176.35 176.01 3dwq s SER 101 N -0.89 -0.06 0.61 2.29 0.01 -0.95 -4.96 113.70 109.75 3dwq s SER 101 Ca -0.10 0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.08 3dwq s SER 101 Cb -0.06 0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 3dwq s SER 101 CO 0.01 -0.14 1.10 0.42 0.41 0.00 0.00 173.24 175.04 3dwq s THR 102 N -0.39 3.33 0.06 1.44 -4.23 -1.26 -0.19 115.64 114.40 3dwq s THR 102 Ca -0.05 0.68 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3dwq s THR 102 Cb -0.03 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 3dwq s THR 102 CO 0.00 -0.32 -0.21 0.00 -0.54 0.00 0.00 174.62 173.55 3dwq n THR 104 N 1.64 1.61 -4.29 0.00 -2.24 -0.06 -4.94 114.28 106.00 3dwq n THR 104 Ca -0.18 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 60.78 3dwq n THR 104 Cb 0.53 -1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 3dwq n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwq n THR 105 N -3.24 0.00 0.28 4.28 -2.24 -0.98 -5.00 114.28 107.38 3dwq n THR 105 Ca -0.34 -1.20 0.17 0.00 -2.27 0.00 0.00 64.05 60.41 3dwq n THR 105 Cb 1.05 0.37 0.76 0.00 -2.10 0.00 0.00 70.33 70.41 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 0.76 0.00 0.00 3.42 4.64 -1.94 -3.31 113.55 117.12 3dwq h SER 106 Ca -0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3dwq h SER 106 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3dwq h SER 106 CO 0.28 0.03 -1.13 0.35 -0.87 0.00 0.00 176.83 175.49 3dwq n THR 107 N -3.15 0.11 -3.24 2.95 -2.24 -1.26 -2.93 114.28 104.51 3dwq n THR 107 Ca -0.00 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3dwq n THR 107 Cb 0.27 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 67.76 3dwq n THR 107 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dwq s GLU 108 N -2.07 3.55 0.17 -0.78 0.41 -1.25 -4.94 118.70 113.79 3dwq s GLU 108 Ca -0.01 -0.24 0.06 0.00 -0.41 0.00 0.00 54.97 54.37 3dwq s GLU 108 Cb 0.01 -3.83 -0.04 0.00 -1.78 0.00 0.00 34.13 28.48 3dwq s GLU 108 CO 0.08 -0.68 -0.12 0.00 -0.49 0.00 0.00 175.26 174.05 3dwq s PHE 110 N -3.06 3.33 0.00 0.00 5.36 -0.14 -4.87 117.98 118.60 3dwq s PHE 110 Ca 0.18 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3dwq s PHE 110 Cb 0.00 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 3dwq s PHE 110 CO 0.03 -1.52 0.00 0.41 -1.46 0.00 0.00 175.22 172.68 3dwq n GLY 111 N 2.07 -1.38 3.84 13.12 0.00 -1.26 -4.69 105.19 116.89 3dwq n GLY 111 Ca 0.04 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 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 3.22 0.24 1.61 0.04 -1.26 -5.06 135.00 133.79 3dwq s PRO 112 Ca 0.00 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.68 3dwq s PRO 112 Cb 0.00 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3dwq s PRO 112 CO 0.00 -0.87 0.83 -0.51 0.04 0.00 0.00 177.00 176.49 3dwq s ASP 113 N -3.88 7.32 -0.63 6.66 1.01 -1.26 -4.93 116.67 120.96 3dwq s ASP 113 Ca 0.57 1.67 0.01 0.00 0.71 0.00 0.00 52.55 55.51 3dwq s ASP 113 Cb -0.13 -2.51 0.16 0.00 1.01 0.00 0.00 42.92 41.45 3dwq s ASP 113 CO 0.53 0.08 0.42 -0.60 0.21 0.00 0.00 175.17 175.81 3dwq s ARG 114 N -1.64 2.43 -0.02 8.23 3.52 -1.26 -4.43 118.95 125.78 3dwq s ARG 114 Ca 0.42 -2.77 0.03 0.00 -0.13 0.00 0.00 55.73 53.28 3dwq s ARG 114 Cb -0.20 -3.57 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 3dwq s ARG 114 CO 0.25 -1.18 -0.10 0.15 -0.81 0.00 0.00 175.30 173.61 3dwq s LYS 115 N -0.50 0.96 0.81 5.12 1.02 -0.98 -3.46 119.74 122.72 3dwq s LYS 115 Ca 0.19 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.71 3dwq s LYS 115 Cb -0.19 -0.90 0.08 0.00 -0.52 0.00 0.00 37.83 36.30 3dwq s LYS 115 CO -0.05 0.16 1.21 0.15 -0.92 0.00 0.00 175.35 175.89 3dwq s LYS 116 N 0.04 1.62 0.00 1.68 1.02 -1.19 -2.35 119.74 120.56 3dwq s LYS 116 Ca -0.01 1.76 0.25 0.00 0.02 0.00 0.00 55.97 57.99 3dwq s LYS 116 Cb -0.07 -1.77 0.47 0.00 -0.52 0.00 0.00 37.83 35.94 3dwq s LYS 116 CO 0.00 -2.23 1.42 0.09 -0.92 0.00 0.00 175.35 173.71