#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 -0.56 0.30 -1.84 -0.00 -1.26 -5.04 118.94 110.54 3dwq s TRP 2 Ca 0.00 1.29 0.05 0.00 -0.00 0.00 0.00 56.10 57.44 3dwq s TRP 2 Cb 0.00 0.22 0.79 0.00 -0.00 0.00 0.00 33.47 34.48 3dwq s TRP 2 CO 0.00 -0.35 1.67 1.15 -0.00 0.00 0.00 176.95 179.42 3dwq h THR 3 N 4.05 0.37 -0.26 5.86 2.02 -2.00 -1.46 112.91 121.50 3dwq h THR 3 Ca -0.28 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3dwq h THR 3 Cb 1.17 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3dwq h THR 3 CO 0.22 0.06 0.03 0.61 0.37 0.00 0.00 175.52 176.80 3dwq n GLY 4 N -1.34 2.23 3.76 2.16 0.00 -1.26 -4.64 105.19 106.09 3dwq n GLY 4 Ca 0.24 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.29 5.63 -1.12 1.61 1.01 -0.55 -4.73 116.67 118.24 3dwq s ASP 5 Ca 0.23 2.70 -0.19 0.00 0.71 0.00 0.00 52.55 56.00 3dwq s ASP 5 Cb 0.18 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 3dwq s ASP 5 CO 0.07 -1.32 2.01 0.00 0.21 0.00 0.00 175.17 176.13 3dwq n ALA 6 N -0.68 3.91 -2.49 5.23 0.00 -1.26 -3.75 120.51 121.46 3dwq n ALA 6 Ca 0.08 -3.53 -0.11 0.00 0.00 0.00 0.00 53.44 49.88 3dwq n ALA 6 Cb 0.45 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.23 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 4.49 1.28 0.11 0.00 0.52 -1.18 -4.40 118.95 119.76 3dwq s ARG 7 Ca 0.55 -1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 53.95 3dwq s ARG 7 Cb 0.11 0.33 -0.08 0.00 0.52 0.00 0.00 34.95 35.83 3dwq s ARG 7 CO 0.05 -0.46 1.49 -0.51 0.02 0.00 0.00 175.30 175.89 3dwq s ASP 8 N -3.11 6.72 0.04 0.23 1.01 -1.26 -2.07 116.67 118.23 3dwq s ASP 8 Ca 0.33 2.41 -0.16 0.00 0.71 0.00 0.00 52.55 55.84 3dwq s ASP 8 Cb 0.05 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.45 3dwq s ASP 8 CO 0.10 -0.75 0.73 0.61 0.21 0.00 0.00 175.17 176.07 3dwq n GLY 9 N 3.67 0.58 3.07 0.21 0.00 0.29 -4.37 105.19 108.64 3dwq n GLY 9 Ca 0.13 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.02 0.39 -0.18 1.61 0.23 -1.13 -1.68 119.30 116.53 3dwq s MET 10 Ca 0.17 -0.32 0.01 0.00 -1.03 0.00 0.00 55.69 54.52 3dwq s MET 10 Cb -0.01 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 3dwq s MET 10 CO 0.01 -0.09 -0.19 -0.06 -2.03 0.00 0.00 175.02 172.66 3dwq s PHE 11 N -1.11 2.74 0.16 3.16 2.99 -0.46 -5.00 117.98 120.46 3dwq s PHE 11 Ca -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 56.93 55.16 3dwq s PHE 11 Cb -0.07 -1.90 -0.05 0.00 0.00 0.00 0.00 43.02 41.01 3dwq s PHE 11 CO 0.01 -0.80 0.35 -1.12 -0.00 0.00 0.00 175.22 173.66 3dwq s SER 12 N 1.30 6.41 -1.02 1.36 0.01 -1.26 -0.79 113.70 119.71 3dwq s SER 12 Ca 0.05 0.43 -0.03 0.00 1.31 0.00 0.00 55.95 57.70 3dwq s SER 12 Cb -0.13 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.08 3dwq s SER 12 CO -0.13 0.03 0.42 0.61 0.41 0.00 0.00 173.24 174.59 3dwq n GLY 13 N -0.25 -0.11 3.75 3.44 0.00 -1.03 -4.75 105.19 106.25 3dwq n GLY 13 Ca -0.04 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.97 5.10 -0.27 1.61 1.01 0.11 -4.34 120.40 120.66 3dwq s VAL 14 Ca 0.21 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 3dwq s VAL 14 Cb -0.09 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3dwq s VAL 14 CO 0.26 0.39 0.25 -0.69 0.00 0.00 0.00 175.10 175.31 3dwq s VAL 15 N 0.15 5.27 -0.17 2.92 1.01 -0.48 0.46 120.40 129.56 3dwq s VAL 15 Ca 0.27 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3dwq s VAL 15 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3dwq s VAL 15 CO 0.12 0.24 1.54 -0.63 0.00 0.00 0.00 175.10 176.36 3dwq s ILE 16 N 1.74 3.81 -0.06 2.22 1.01 -1.26 -1.05 121.20 127.61 3dwq s ILE 16 Ca 0.10 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.76 3dwq s ILE 16 Cb -0.16 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 3dwq s ILE 16 CO 0.10 -0.22 0.05 0.35 0.00 0.00 0.00 174.94 175.22 3dwq n THR 17 N 5.95 0.40 -4.47 2.92 -2.24 0.76 -4.67 114.28 112.92 3dwq n THR 17 Ca 0.17 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 3dwq n THR 17 Cb 0.45 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.25 1.20 -0.02 -0.78 -1.52 -0.69 -4.99 119.66 110.61 3dwq s GLN 18 Ca -0.03 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 52.43 3dwq s GLN 18 Cb 0.03 -1.32 0.03 0.00 -0.22 0.00 0.00 33.01 31.52 3dwq s GLN 18 CO 0.30 0.33 0.01 0.12 -0.25 0.00 0.00 175.29 175.80 3dwq s PHE 19 N -0.92 0.15 0.01 0.91 5.36 -1.26 -1.68 117.98 120.55 3dwq s PHE 19 Ca 0.05 0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 3dwq s PHE 19 Cb -0.09 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.29 3dwq s PHE 19 CO 0.02 -0.10 -0.05 -1.58 -1.46 0.00 0.00 175.22 172.05 3dwq s HIS 20 N 0.95 0.47 0.04 10.12 5.65 -0.43 -5.01 115.29 127.08 3dwq s HIS 20 Ca -0.09 -0.22 0.04 0.00 0.25 0.00 0.00 55.06 55.04 3dwq s HIS 20 Cb -0.12 -0.29 -0.02 0.00 -1.18 0.00 0.00 32.58 30.96 3dwq s HIS 20 CO -0.02 -0.04 -0.12 -0.08 -0.65 0.00 0.00 174.74 173.83 3dwq s THR 21 N -0.55 0.94 0.00 0.89 -1.32 -1.26 -0.04 115.64 114.31 3dwq s THR 21 Ca -0.03 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 3dwq s THR 21 Cb -0.05 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3dwq s THR 21 CO -0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3dwq n GLY 22 N 1.91 2.32 3.03 6.08 0.00 0.00 -5.00 105.19 113.54 3dwq n GLY 22 Ca -0.18 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 0.03 0.21 -0.11 1.61 0.74 -1.26 -1.03 119.66 119.85 3dwq s GLN 23 Ca 0.00 0.09 -0.07 0.00 0.05 0.00 0.00 55.36 55.43 3dwq s GLN 23 Cb 0.00 0.10 0.04 0.00 1.10 0.00 0.00 33.01 34.24 3dwq s GLN 23 CO 0.00 -0.03 0.26 -1.50 -0.55 0.00 0.00 175.29 173.47 3dwq s ILE 24 N -0.17 -0.02 -1.46 -2.34 2.07 -0.66 -4.93 121.20 113.69 3dwq s ILE 24 Ca -0.02 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 3dwq s ILE 24 Cb -0.02 -0.39 0.05 0.00 0.13 0.00 0.00 42.46 42.23 3dwq s ILE 24 CO 0.00 0.03 0.79 -0.67 -1.91 0.00 0.00 174.94 173.18 3dwq n ASP 25 N 3.64 -2.80 -0.98 4.50 2.03 -1.26 -1.61 116.55 120.09 3dwq n ASP 25 Ca -0.19 -0.85 -0.13 0.00 0.52 0.00 0.00 54.79 54.14 3dwq n ASP 25 Cb 0.56 -3.69 -0.05 0.00 -0.72 0.00 0.00 41.12 37.21 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 -2.91 -4.50 -3.96 1.67 5.15 -1.26 -5.00 115.26 104.45 3dwq n ASN 26 Ca -0.12 0.30 -0.27 0.00 -0.60 0.00 0.00 54.58 53.89 3dwq n ASN 26 Cb 0.60 -3.12 -0.17 0.00 -0.53 0.00 0.00 39.78 36.56 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 -3.11 1.81 0.44 1.20 3.01 -0.63 -5.13 119.74 117.33 3dwq s LYS 27 Ca 0.00 -0.38 -0.25 0.00 -1.01 0.00 0.00 55.97 54.33 3dwq s LYS 27 Cb 0.00 -1.72 -0.08 0.00 -1.01 0.00 0.00 37.83 35.02 3dwq s LYS 27 CO 0.00 -0.20 1.31 -1.25 0.51 0.00 0.00 175.35 175.72 3dwq s PRO 28 N 1.45 3.78 0.05 -1.68 0.04 -1.26 -1.66 135.00 135.72 3dwq s PRO 28 Ca 0.01 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 3dwq s PRO 28 Cb -0.13 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3dwq s PRO 28 CO -0.07 -0.65 0.11 1.52 0.04 0.00 0.00 177.00 177.95 3dwq s TYR 29 N -1.30 0.22 0.08 0.56 -0.85 -0.20 -1.71 117.35 114.15 3dwq s TYR 29 Ca 0.60 -0.57 0.05 0.00 -0.52 0.00 0.00 57.07 56.63 3dwq s TYR 29 Cb -0.38 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 41.78 3dwq s TYR 29 CO 0.48 -0.41 -0.13 -0.59 -1.52 0.00 0.00 175.55 173.37 3dwq s PHE 30 N -3.04 1.19 0.07 -3.49 -0.12 -0.66 -0.82 117.98 111.10 3dwq s PHE 30 Ca -0.01 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 3dwq s PHE 30 Cb 0.01 -0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 3dwq s PHE 30 CO -0.07 0.05 -0.20 0.00 -0.05 0.00 0.00 175.22 174.95 3dwq s ILE 32 N -1.00 1.60 -0.03 0.00 -4.36 -0.71 -1.31 121.20 115.38 3dwq s ILE 32 Ca 0.06 -1.50 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 3dwq s ILE 32 Cb -0.09 -1.46 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 3dwq s ILE 32 CO 0.03 -0.09 -0.20 -0.70 0.24 0.00 0.00 174.94 174.22 3dwq s GLU 33 N -1.88 1.78 0.11 0.37 -6.30 -0.68 -2.37 118.70 109.73 3dwq s GLU 33 Ca 0.05 -0.72 0.03 0.00 -2.50 0.00 0.00 54.97 51.83 3dwq s GLU 33 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 34.13 32.35 3dwq s GLU 33 CO 0.04 0.38 -0.09 0.20 0.02 0.00 0.00 175.26 175.81 3dwq s GLY 34 N -0.31 0.86 -0.04 -1.50 0.00 -0.74 -0.17 107.32 105.42 3dwq s GLY 34 Ca 0.04 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 43.51 3dwq s GLY 34 CO 0.00 -1.41 -0.25 0.54 0.00 0.00 0.00 173.10 171.98 3dwq s LYS 35 N -3.41 2.40 0.83 2.90 -0.14 -0.21 -2.06 119.74 120.05 3dwq s LYS 35 Ca 0.10 -0.91 -0.09 0.00 -1.36 0.00 0.00 55.97 53.71 3dwq s LYS 35 Cb 0.02 -2.12 0.15 0.00 -1.68 0.00 0.00 37.83 34.19 3dwq s LYS 35 CO -0.02 0.44 1.16 -0.65 -0.76 0.00 0.00 175.35 175.52 3dwq s GLN 36 N -0.32 1.29 0.30 1.68 -0.21 -0.31 -1.38 119.66 120.71 3dwq s GLN 36 Ca 0.01 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.83 3dwq s GLN 36 Cb -0.12 -2.07 0.74 0.00 1.00 0.00 0.00 33.01 32.56 3dwq s GLN 36 CO 0.02 -1.87 1.78 0.77 -2.12 0.00 0.00 175.29 173.87 3dwq h SER 37 N -1.07 0.79 0.58 5.90 0.02 -1.90 -0.71 113.55 117.16 3dwq h SER 37 Ca -0.42 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3dwq h SER 37 Cb 1.26 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3dwq h SER 37 CO 0.43 0.27 -0.24 0.00 -1.14 0.00 0.00 176.83 176.16 3dwq n ALA 38 N -2.33 2.96 0.00 3.77 0.00 -1.26 -4.92 120.51 118.73 3dwq n ALA 38 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3dwq n ALA 38 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.43 0.72 3.76 0.00 0.00 -0.27 -5.08 105.19 105.74 3dwq n GLY 39 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dwq n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwq s SER 40 N -2.46 7.10 0.09 1.61 1.04 -1.26 -4.71 113.70 115.11 3dwq s SER 40 Ca 0.00 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.81 3dwq s SER 40 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 3dwq s SER 40 CO 0.00 -0.29 0.19 -0.44 0.98 0.00 0.00 173.24 173.67 3dwq s SER 41 N -0.54 6.09 -0.03 7.02 0.01 -1.26 -1.16 113.70 123.83 3dwq s SER 41 Ca 0.48 0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 3dwq s SER 41 Cb -0.34 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.12 3dwq s SER 41 CO 0.43 0.14 0.03 -0.51 0.41 0.00 0.00 173.24 173.74 3dwq s ILE 42 N -1.54 0.02 0.02 1.44 1.10 -0.87 -5.01 121.20 116.35 3dwq s ILE 42 Ca 0.33 0.23 0.03 0.00 -0.51 0.00 0.00 60.65 60.73 3dwq s ILE 42 Cb -0.12 -0.18 -0.04 0.00 0.15 0.00 0.00 42.46 42.27 3dwq s ILE 42 CO 0.26 0.14 -0.03 -0.44 -2.11 0.00 0.00 174.94 172.76 3dwq s SER 43 N 1.41 4.87 -0.19 4.50 0.01 -1.26 -1.78 113.70 121.26 3dwq s SER 43 Ca -0.05 -0.10 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 3dwq s SER 43 Cb -0.13 -1.19 0.05 0.00 0.21 0.00 0.00 66.02 64.96 3dwq s SER 43 CO -0.03 0.27 0.51 0.00 0.41 0.00 0.00 173.24 174.39 3dwq s ALA 44 N -1.08 -1.25 0.02 1.44 0.00 -1.00 -4.66 121.76 115.23 3dwq s ALA 44 Ca 0.19 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.66 3dwq s ALA 44 Cb -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3dwq s ALA 44 CO 0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 175.76 175.42 3dwq s SER 46 N -1.21 3.27 -0.06 0.00 0.15 -0.45 -0.81 113.70 114.59 3dwq s SER 46 Ca 0.13 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3dwq s SER 46 Cb -0.10 -0.79 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3dwq s SER 46 CO 0.03 0.27 -0.07 -0.32 1.20 0.00 0.00 173.24 174.35 3dwq s MET 47 N -0.31 1.18 0.23 5.44 0.00 -1.26 -1.66 119.30 122.93 3dwq s MET 47 Ca 0.01 -0.21 -0.31 0.00 0.00 0.00 0.00 55.69 55.19 3dwq s MET 47 Cb -0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 34.83 33.46 3dwq s MET 47 CO 0.02 -0.09 1.57 0.21 0.00 0.00 0.00 175.02 176.74 3dwq s LYS 48 N 1.03 4.18 -1.41 4.11 2.20 -0.69 -2.88 119.74 126.28 3dwq s LYS 48 Ca -0.09 2.46 -0.01 0.00 -0.36 0.00 0.00 55.97 57.97 3dwq s LYS 48 Cb -0.14 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 3dwq s LYS 48 CO -0.00 -0.59 0.08 0.09 -0.36 0.00 0.00 175.35 174.56 3dwq n ASN 49 N 2.99 -4.90 0.00 1.43 5.03 -1.22 -4.74 115.26 113.85 3dwq n ASN 49 Ca 0.11 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.59 3dwq n ASN 49 Cb 0.38 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.05 3dwq n ASN 49 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dwq n SER 50 N -1.98 0.00 0.00 6.41 3.41 -1.14 -4.94 113.62 115.38 3dwq n SER 50 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3dwq n SER 50 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3dwq n SER 50 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dwq n SER 51 N 0.00 0.00 0.18 4.04 7.64 -1.26 -4.66 113.62 119.56 3dwq n SER 51 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 3dwq n SER 51 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 3dwq n SER 51 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3dwq h VAL 52 N 0.00 0.41 -0.23 0.44 3.04 -1.99 -3.30 116.25 114.62 3dwq h VAL 52 Ca 0.00 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 3dwq h VAL 52 Cb 0.00 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3dwq h VAL 52 CO 0.00 0.23 0.00 0.79 -1.01 0.00 0.00 177.57 177.58 3dwq n TRP 53 N -3.16 0.29 0.07 3.17 7.02 -1.26 -4.50 117.44 119.07 3dwq n TRP 53 Ca 0.03 -0.14 0.15 0.00 -1.02 0.00 0.00 57.50 56.51 3dwq n TRP 53 Cb 0.63 0.00 0.64 0.00 -2.42 0.00 0.00 31.31 30.16 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 4.67 0.10 2.00 6.99 0.00 -1.73 -2.48 103.07 112.62 3dwq h GLY 54 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dwq h GLY 54 CO 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 176.54 176.51 3dwq h ALA 55 N 1.82 1.60 -0.01 3.60 0.00 -1.87 -2.84 119.26 121.55 3dwq h ALA 55 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dwq h ALA 55 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dwq h ALA 55 CO -0.01 0.06 -0.03 0.43 0.00 0.00 0.00 179.25 179.69 3dwq n SER 56 N -4.02 1.46 -0.12 0.00 7.64 -0.93 -4.55 113.62 113.10 3dwq n SER 56 Ca -0.03 -1.43 -0.07 0.00 1.01 0.00 0.00 58.87 58.36 3dwq n SER 56 Cb 0.13 0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 2.24 -0.76 -0.06 1.43 3.57 -1.65 0.44 116.94 122.14 3dwq h PHE 57 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3dwq h PHE 57 Cb 0.51 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 3dwq h PHE 57 CO 0.00 -0.35 0.03 0.77 -2.23 0.00 0.00 178.31 176.53 3dwq h SER 58 N -0.21 0.08 -0.18 0.41 0.02 -1.85 0.29 113.55 112.11 3dwq h SER 58 Ca 0.18 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3dwq h SER 58 Cb 0.51 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3dwq h SER 58 CO -0.52 0.15 0.09 0.74 -1.14 0.00 0.00 176.83 176.15 3dwq h THR 59 N 0.01 1.12 -0.66 -2.27 2.02 -1.83 -1.98 112.91 109.31 3dwq h THR 59 Ca 0.02 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3dwq h THR 59 Cb 0.09 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3dwq h THR 59 CO -0.00 0.11 0.24 -0.07 0.37 0.00 0.00 175.52 176.17 3dwq h LEU 60 N 0.17 0.92 -0.09 2.58 3.38 -0.82 -0.25 115.31 121.20 3dwq h LEU 60 Ca 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dwq h LEU 60 Cb 0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dwq h LEU 60 CO -0.01 0.84 0.04 0.22 0.09 0.00 0.00 178.44 179.61 3dwq h TYR 61 N 0.97 0.13 -0.33 1.13 3.20 -0.81 0.10 116.97 121.36 3dwq h TYR 61 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3dwq h TYR 61 Cb 0.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3dwq h TYR 61 CO 0.02 0.23 0.22 -0.91 -1.64 0.00 0.00 178.16 176.07 3dwq h ASN 62 N -0.00 0.37 -0.23 -2.11 4.21 -1.18 -1.93 115.58 114.71 3dwq h ASN 62 Ca 0.03 -0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.35 3dwq h ASN 62 Cb 0.15 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3dwq h ASN 62 CO -0.00 0.27 -0.54 -0.61 -1.29 0.00 0.00 177.43 175.26 3dwq h GLN 63 N 0.44 0.82 -0.42 0.81 5.75 -0.97 -1.84 115.11 119.70 3dwq h GLN 63 Ca 0.12 -0.51 -0.12 0.00 -0.15 0.00 0.00 58.65 57.99 3dwq h GLN 63 Cb -0.04 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3dwq h GLN 63 CO -0.03 1.14 -0.22 0.00 -2.65 0.00 0.00 178.83 177.07 3dwq h ALA 64 N 0.75 0.60 -0.26 3.38 0.00 -0.78 -1.57 119.26 121.38 3dwq h ALA 64 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3dwq h ALA 64 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3dwq h ALA 64 CO 0.12 0.57 -0.23 1.25 0.00 0.00 0.00 179.25 180.96 3dwq h LEU 65 N 0.72 0.48 0.13 0.00 5.85 -1.36 -0.16 115.31 120.97 3dwq h LEU 65 Ca 0.09 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3dwq h LEU 65 Cb 0.78 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3dwq h LEU 65 CO 0.06 0.72 -0.06 0.22 -0.34 0.00 0.00 178.44 179.04 3dwq h TYR 66 N 0.43 -0.16 0.00 1.25 3.20 -1.16 -1.95 116.97 118.58 3dwq h TYR 66 Ca 0.07 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 3dwq h TYR 66 Cb 0.64 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3dwq h TYR 66 CO 0.02 -0.08 -0.46 0.74 -1.64 0.00 0.00 178.16 176.74 3dwq h PHE 67 N -0.19 0.00 -0.86 -3.82 0.04 -1.13 -1.80 116.94 109.17 3dwq h PHE 67 Ca -0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3dwq h PHE 67 Cb 0.15 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3dwq h PHE 67 CO -0.06 0.46 0.47 -0.92 -0.60 0.00 0.00 178.31 177.66 3dwq h TYR 68 N 0.00 1.18 -0.16 -0.55 3.20 -0.95 -0.97 116.97 118.73 3dwq h TYR 68 Ca -0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3dwq h TYR 68 Cb 0.82 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3dwq h TYR 68 CO 0.00 0.82 -0.01 1.15 -1.64 0.00 0.00 178.16 178.48 3dwq h THR 69 N 1.20 1.26 -0.02 1.81 2.02 -0.70 -3.26 112.91 115.22 3dwq h THR 69 Ca 0.30 -0.89 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 3dwq h THR 69 Cb 0.03 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3dwq h THR 69 CO -0.05 0.27 -0.78 0.71 0.37 0.00 0.00 175.52 176.04 3dwq h THR 70 N 0.02 1.46 -0.14 3.16 1.35 -1.35 -3.47 112.91 113.94 3dwq h THR 70 Ca 0.04 -2.41 -0.06 0.00 -0.55 0.00 0.00 66.41 63.44 3dwq h THR 70 Cb 0.41 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 3dwq h THR 70 CO 0.01 0.70 -0.05 0.61 -0.25 0.00 0.00 175.52 176.54 3dwq n GLY 71 N 0.66 0.61 3.76 5.82 0.00 -0.37 -5.02 105.19 110.65 3dwq n GLY 71 Ca -0.03 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3dwq n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwq s GLN 72 N -1.94 3.57 -0.11 1.61 -0.21 -1.24 -4.89 119.66 116.44 3dwq s GLN 72 Ca 0.00 2.29 -0.30 0.00 0.02 0.00 0.00 55.36 57.38 3dwq s GLN 72 Cb 0.00 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 3dwq s GLN 72 CO 0.00 -0.87 1.18 -1.25 -2.12 0.00 0.00 175.29 172.23 3dwq s PRO 73 N -2.57 4.32 0.22 2.91 0.04 -1.26 -4.46 135.00 134.20 3dwq s PRO 73 Ca 0.64 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.31 3dwq s PRO 73 Cb -0.41 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 3dwq s PRO 73 CO 0.52 -0.53 -0.01 0.14 0.04 0.00 0.00 177.00 177.16 3dwq s VAL 74 N 2.67 1.06 -0.21 -0.36 -7.23 0.17 -3.17 120.40 113.33 3dwq s VAL 74 Ca 0.53 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 3dwq s VAL 74 Cb -0.22 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3dwq s VAL 74 CO 0.18 -0.36 0.39 -0.60 -0.31 0.00 0.00 175.10 174.39 3dwq s ARG 75 N -3.85 4.14 -0.33 4.82 3.52 0.62 0.08 118.95 127.96 3dwq s ARG 75 Ca 0.27 0.16 -0.14 0.00 -0.13 0.00 0.00 55.73 55.90 3dwq s ARG 75 Cb 0.05 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3dwq s ARG 75 CO 0.08 -0.07 0.29 0.42 -0.81 0.00 0.00 175.30 175.21 3dwq s ILE 76 N 1.43 5.23 -0.08 4.11 1.09 0.03 -2.20 121.20 130.82 3dwq s ILE 76 Ca 0.18 0.02 -0.15 0.00 -1.10 0.00 0.00 60.65 59.60 3dwq s ILE 76 Cb -0.15 -3.73 -0.05 0.00 -1.06 0.00 0.00 42.46 37.48 3dwq s ILE 76 CO 0.08 0.01 0.38 -0.31 -0.10 0.00 0.00 174.94 175.00 3dwq s TYR 77 N 1.87 3.60 0.06 3.97 2.02 -0.72 -1.35 117.35 126.80 3dwq s TYR 77 Ca 0.09 0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 57.56 3dwq s TYR 77 Cb -0.17 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 3dwq s TYR 77 CO 0.11 0.43 0.12 1.52 -1.57 0.00 0.00 175.55 176.16 3dwq s TYR 78 N -0.25 0.22 -0.20 2.71 -0.85 -0.68 -1.30 117.35 117.00 3dwq s TYR 78 Ca 0.22 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 3dwq s TYR 78 Cb -0.15 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.10 3dwq s TYR 78 CO 0.09 -0.44 -0.08 -2.00 -1.52 0.00 0.00 175.55 171.61 3dwq s GLU 79 N -3.26 1.76 0.69 -3.49 2.12 -0.30 -0.55 118.70 115.67 3dwq s GLU 79 Ca 0.01 -0.80 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 3dwq s GLU 79 Cb 0.03 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.07 3dwq s GLU 79 CO -0.08 -0.48 1.09 -1.25 -0.54 0.00 0.00 175.26 174.01 3dwq s PRO 80 N 1.46 2.70 -0.17 4.30 0.04 -1.26 -1.07 135.00 141.00 3dwq s PRO 80 Ca -0.02 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3dwq s PRO 80 Cb -0.17 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3dwq s PRO 80 CO -0.08 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.07 3dwq n GLY 81 N -0.93 0.52 0.07 0.56 0.00 -1.17 -4.90 105.19 99.34 3dwq n GLY 81 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 1.67 -3.41 1.61 2.07 -1.25 -3.44 116.25 113.50 3dwq h VAL 82 Ca -0.03 -2.28 -0.55 0.00 0.82 0.00 0.00 66.70 64.66 3dwq h VAL 82 Cb 0.20 3.18 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3dwq h VAL 82 CO 0.05 0.57 0.23 0.26 0.02 0.00 0.00 177.57 178.69 3dwq s TRP 83 N -2.20 3.66 0.00 1.57 0.23 -0.82 -4.95 118.94 116.43 3dwq s TRP 83 Ca -0.19 1.51 0.00 0.00 -2.03 0.00 0.00 56.10 55.39 3dwq s TRP 83 Cb -0.02 -2.94 0.00 0.00 0.03 0.00 0.00 33.47 30.53 3dwq s TRP 83 CO 0.66 0.11 0.00 0.25 0.96 0.00 0.00 176.95 178.92 3dwq n THR 84 N 3.51 0.00 -2.06 2.01 -2.24 -1.26 -4.53 114.28 109.70 3dwq n THR 84 Ca 0.01 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 3dwq n THR 84 Cb 0.51 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.95 1.99 0.17 4.78 5.04 -1.26 -4.93 117.35 122.19 3dwq s TYR 85 Ca 0.00 0.53 -0.16 0.00 -2.44 0.00 0.00 57.07 55.00 3dwq s TYR 85 Cb 0.00 -4.03 0.13 0.00 0.35 0.00 0.00 41.96 38.41 3dwq s TYR 85 CO 0.00 -3.05 1.68 -1.35 -1.34 0.00 0.00 175.55 171.49 3dwq h PRO 86 N 11.29 0.07 -0.65 4.97 0.11 -1.99 -0.77 132.00 145.03 3dwq h PRO 86 Ca -0.34 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.79 3dwq h PRO 86 Cb 1.16 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3dwq h PRO 86 CO 1.01 0.05 0.43 -1.35 -0.21 0.00 0.00 178.00 177.92 3dwq h PRO 87 N 0.07 0.79 0.08 1.05 0.11 -1.99 -0.26 132.00 131.86 3dwq h PRO 87 Ca 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3dwq h PRO 87 Cb 0.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3dwq h PRO 87 CO -0.38 0.53 -0.04 0.35 -0.21 0.00 0.00 178.00 178.25 3dwq h PHE 88 N 0.82 -0.10 -0.69 0.65 3.57 -1.67 -1.34 116.94 118.17 3dwq h PHE 88 Ca 0.25 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3dwq h PHE 88 Cb 0.00 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3dwq h PHE 88 CO -0.00 0.13 0.43 0.28 -2.23 0.00 0.00 178.31 176.91 3dwq h VAL 89 N -0.32 1.07 -0.38 1.41 2.07 -0.96 1.00 116.25 120.14 3dwq h VAL 89 Ca -0.01 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3dwq h VAL 89 Cb 0.27 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3dwq h VAL 89 CO 0.02 0.15 0.07 0.50 0.02 0.00 0.00 177.57 178.33 3dwq h LYS 90 N 0.83 0.62 -0.02 1.57 3.64 -1.00 -3.04 116.57 119.16 3dwq h LYS 90 Ca 0.28 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 3dwq h LYS 90 Cb 0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3dwq h LYS 90 CO -0.12 0.67 -0.89 0.00 -2.27 0.00 0.00 179.45 176.85 3dwq h ALA 91 N 0.92 0.42 -3.00 5.00 0.00 -1.08 -3.46 119.26 118.06 3dwq h ALA 91 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3dwq h ALA 91 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dwq h ALA 91 CO 0.01 0.81 0.00 1.28 0.00 0.00 0.00 179.25 181.34 3dwq n LEU 92 N -3.76 0.00 -3.55 0.00 4.77 0.33 -5.10 117.00 109.69 3dwq n LEU 92 Ca -0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.84 3dwq n LEU 92 Cb 0.80 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 3dwq n LEU 92 CO 0.50 0.00 0.60 0.28 -1.33 0.00 0.00 177.39 177.44 3dwq s THR 93 N 1.01 0.00 -0.87 -5.08 -1.32 -1.15 -4.91 115.64 103.32 3dwq s THR 93 Ca 0.00 -0.19 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 3dwq s THR 93 Cb 0.00 -1.25 -0.08 0.00 -1.51 0.00 0.00 72.50 69.66 3dwq s THR 93 CO 0.00 0.00 1.18 -1.54 -2.21 0.00 0.00 174.62 172.05 3dwq n SER 94 N -0.34 0.65 -4.71 8.08 3.41 -1.26 -4.38 113.62 115.07 3dwq n SER 94 Ca -0.10 -0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 3dwq n SER 94 Cb 0.62 0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 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 -3.33 6.76 -0.03 4.04 0.01 -1.26 -1.08 114.94 120.07 3dwq s ASN 95 Ca 0.08 2.38 -0.15 0.00 -0.71 0.00 0.00 52.86 54.45 3dwq s ASN 95 Cb 0.16 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 3dwq s ASN 95 CO 0.77 -0.71 0.41 0.00 -1.51 0.00 0.00 177.10 176.06 3dwq s ALA 96 N 1.33 3.66 -0.04 0.60 0.00 -0.23 -0.94 121.76 126.14 3dwq s ALA 96 Ca 0.66 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3dwq s ALA 96 Cb -0.38 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3dwq s ALA 96 CO 0.30 0.40 1.07 -1.17 0.00 0.00 0.00 175.76 176.36 3dwq s LEU 97 N -0.76 4.31 0.00 0.00 2.96 0.01 -1.14 118.68 124.05 3dwq s LEU 97 Ca 0.23 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3dwq s LEU 97 Cb -0.16 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3dwq s LEU 97 CO 0.12 -0.42 0.23 1.33 -1.32 0.00 0.00 176.35 176.29 3dwq n VAL 98 N 4.29 0.00 0.00 1.68 0.24 -0.42 -4.75 118.33 119.36 3dwq n VAL 98 Ca 0.08 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3dwq n VAL 98 Cb 0.49 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 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 0.17 0.63 2.99 7.63 0.00 -1.18 -4.66 105.19 110.77 3dwq n GLY 99 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 1.84 -0.01 0.99 1.43 -1.26 -1.75 118.68 119.92 3dwq s LEU 100 Ca 0.00 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3dwq s LEU 100 Cb 0.00 0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.52 3dwq s LEU 100 CO 0.00 -0.18 0.11 -0.44 0.23 0.00 0.00 176.35 176.07 3dwq s SER 101 N -0.71 0.01 0.70 2.29 0.01 -0.93 -4.96 113.70 110.10 3dwq s SER 101 Ca -0.08 -0.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.94 3dwq s SER 101 Cb -0.05 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.41 3dwq s SER 101 CO 0.00 -0.27 1.08 0.42 0.41 0.00 0.00 173.24 174.89 3dwq s THR 102 N -0.99 3.52 0.02 1.44 -4.23 -1.26 -0.28 115.64 113.87 3dwq s THR 102 Ca -0.11 0.59 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 3dwq s THR 102 Cb -0.06 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 3dwq s THR 102 CO 0.01 -0.56 -0.17 0.00 -0.54 0.00 0.00 174.62 173.36 3dwq n THR 104 N 2.22 1.71 -4.53 0.00 -2.24 -0.13 -4.92 114.28 106.39 3dwq n THR 104 Ca -0.16 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.65 3dwq n THR 104 Cb 0.54 -1.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.30 0.00 0.39 4.28 -2.24 -0.91 -4.99 114.28 107.51 3dwq n THR 105 Ca -0.26 -2.15 0.06 0.00 -2.27 0.00 0.00 64.05 59.43 3dwq n THR 105 Cb 1.05 0.65 0.27 0.00 -2.10 0.00 0.00 70.33 70.20 3dwq n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dwq n SER 106 N -1.47 0.06 0.00 3.42 3.41 -1.26 -3.61 113.62 114.17 3dwq n SER 106 Ca -0.10 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3dwq n SER 106 Cb 0.56 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3dwq n SER 106 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dwq n THR 107 N -1.57 0.00 -3.55 6.66 5.66 -1.26 -2.62 114.28 117.60 3dwq n THR 107 Ca 0.03 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.64 3dwq n THR 107 Cb 0.14 -0.15 -0.11 0.00 -1.55 0.00 0.00 70.33 68.66 3dwq n THR 107 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dwq s GLU 108 N -1.22 3.97 0.06 1.09 0.41 -1.24 -4.90 118.70 116.86 3dwq s GLU 108 Ca 0.00 -0.24 0.01 0.00 -0.41 0.00 0.00 54.97 54.33 3dwq s GLU 108 Cb 0.00 -3.66 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 3dwq s GLU 108 CO 0.00 -0.19 -0.06 0.00 -0.49 0.00 0.00 175.26 174.52 3dwq s PHE 110 N -2.52 2.90 0.00 0.00 5.36 -0.31 -4.87 117.98 118.54 3dwq s PHE 110 Ca -0.01 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 3dwq s PHE 110 Cb -0.02 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 3dwq s PHE 110 CO -0.03 -1.83 0.00 0.41 -1.46 0.00 0.00 175.22 172.31 3dwq n GLY 111 N 0.67 -1.80 3.84 13.12 0.00 -1.26 -4.71 105.19 115.04 3dwq n GLY 111 Ca 0.04 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 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 2.99 0.20 1.61 0.04 -1.26 -5.05 135.00 133.53 3dwq s PRO 112 Ca 0.00 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 3dwq s PRO 112 Cb 0.00 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3dwq s PRO 112 CO 0.00 -1.02 0.78 -0.51 0.04 0.00 0.00 177.00 176.29 3dwq s ASP 113 N -3.95 7.28 -0.50 6.66 1.01 -1.26 -4.95 116.67 120.95 3dwq s ASP 113 Ca 0.58 1.60 -0.02 0.00 0.71 0.00 0.00 52.55 55.42 3dwq s ASP 113 Cb -0.13 -2.48 0.13 0.00 1.01 0.00 0.00 42.92 41.45 3dwq s ASP 113 CO 0.54 0.12 0.29 -0.60 0.21 0.00 0.00 175.17 175.74 3dwq s ARG 114 N -1.52 2.19 -0.14 8.23 3.52 -1.26 -4.51 118.95 125.46 3dwq s ARG 114 Ca 0.40 -2.20 -0.09 0.00 -0.13 0.00 0.00 55.73 53.72 3dwq s ARG 114 Cb -0.21 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 29.64 3dwq s ARG 114 CO 0.24 -1.11 0.33 0.21 -0.81 0.00 0.00 175.30 174.17 3dwq s LYS 115 N 0.49 0.33 0.30 5.12 2.20 -0.88 -2.83 119.74 124.47 3dwq s LYS 115 Ca 0.13 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 56.06 3dwq s LYS 115 Cb -0.22 0.00 -0.10 0.00 -1.51 0.00 0.00 37.83 36.00 3dwq s LYS 115 CO -0.04 -0.13 1.34 0.15 -0.36 0.00 0.00 175.35 176.32 3dwq s LYS 116 N 1.02 4.33 0.85 4.03 1.02 -1.23 -3.12 119.74 126.64 3dwq s LYS 116 Ca -0.07 2.23 -0.11 0.00 0.02 0.00 0.00 55.97 58.05 3dwq s LYS 116 Cb -0.07 -3.09 0.10 0.00 -0.52 0.00 0.00 37.83 34.25 3dwq s LYS 116 CO -0.08 -0.26 1.11 -0.80 -0.92 0.00 0.00 175.35 174.40 3dwq s ASN 117 N -0.19 3.71 0.36 2.83 0.02 -1.26 -4.97 114.94 115.44 3dwq s ASN 117 Ca 0.52 1.91 0.07 0.00 -1.02 0.00 0.00 52.86 54.34 3dwq s ASN 117 Cb -0.40 -2.50 -0.00 0.00 0.02 0.00 0.00 41.25 38.37 3dwq s ASN 117 CO 0.49 -2.56 0.50 -0.94 0.02 0.00 0.00 177.10 174.62 3dwq s SER 118 N -3.11 5.89 -0.14 -1.22 1.04 -1.26 -5.11 113.70 109.79 3dwq s SER 118 Ca 0.64 -0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 3dwq s SER 118 Cb -0.19 -1.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.78 3dwq s SER 118 CO 0.57 -0.52 0.19 -0.22 0.98 0.00 0.00 173.24 174.24 3dwq s LEU 119 N -4.23 4.31 0.00 2.42 2.96 -1.26 -5.34 118.68 117.54 3dwq s LEU 119 Ca 0.48 0.45 0.30 0.00 -0.22 0.00 0.00 54.13 55.14 3dwq s LEU 119 Cb -0.10 -2.19 1.81 0.00 0.50 0.00 0.00 46.19 46.22 3dwq s LEU 119 CO 0.32 0.27 2.14 1.21 -1.32 0.00 0.00 176.35 178.96