#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwp s TRP 2 N 0.00 -0.69 0.36 -1.84 -0.00 -1.26 -5.03 118.94 110.49 3dwp s TRP 2 Ca 0.00 1.60 0.19 0.00 -0.00 0.00 0.00 56.10 57.88 3dwp s TRP 2 Cb 0.00 0.28 1.21 0.00 -0.00 0.00 0.00 33.47 34.96 3dwp s TRP 2 CO 0.00 -0.34 1.64 1.15 -0.00 0.00 0.00 176.95 179.40 3dwp h THR 3 N 4.49 0.20 -0.21 5.86 2.02 -2.00 -1.12 112.91 122.15 3dwp h THR 3 Ca -0.29 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3dwp h THR 3 Cb 1.18 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3dwp h THR 3 CO 0.16 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.70 3dwp n GLY 4 N -1.32 0.25 3.53 2.16 0.00 -1.26 -4.59 105.19 103.96 3dwp n GLY 4 Ca 0.34 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3dwp n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwp n ASP 5 N 0.27 0.03 -4.58 1.61 8.00 -0.43 -4.59 116.55 116.87 3dwp n ASP 5 Ca 0.14 0.89 -0.41 0.00 0.71 0.00 0.00 54.79 56.12 3dwp n ASP 5 Cb 0.28 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.12 3dwp n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwp s ALA 6 N -1.47 3.05 0.16 2.24 0.00 -1.26 -3.78 121.76 120.69 3dwp s ALA 6 Ca 0.67 -2.74 -0.09 0.00 0.00 0.00 0.00 51.96 49.79 3dwp s ALA 6 Cb -0.52 -4.64 -0.01 0.00 0.00 0.00 0.00 23.12 17.95 3dwp s ALA 6 CO 0.55 -3.59 0.28 1.03 0.00 0.00 0.00 175.76 174.02 3dwp s ARG 7 N 4.62 1.13 0.27 0.00 0.52 -1.16 -4.14 118.95 120.18 3dwp s ARG 7 Ca 0.55 -1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 3dwp s ARG 7 Cb 0.03 0.38 -0.10 0.00 0.52 0.00 0.00 34.95 35.78 3dwp s ARG 7 CO 0.07 -0.41 1.39 -0.51 0.02 0.00 0.00 175.30 175.86 3dwp s ASP 8 N -2.96 6.70 0.00 0.23 1.01 -1.26 -2.05 116.67 118.35 3dwp s ASP 8 Ca 0.16 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.07 3dwp s ASP 8 Cb 0.03 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3dwp s ASP 8 CO -0.01 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.34 3dwp n GLY 9 N 1.83 2.17 3.32 0.21 0.00 0.98 -4.40 105.19 109.31 3dwp n GLY 9 Ca 0.05 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 3dwp n GLY 9 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dwp s MET 10 N -1.13 0.59 -0.17 1.61 0.23 -1.21 -1.33 119.30 117.89 3dwp s MET 10 Ca 0.00 0.39 0.01 0.00 -1.03 0.00 0.00 55.69 55.06 3dwp s MET 10 Cb 0.00 0.28 0.02 0.00 -1.53 0.00 0.00 34.83 33.60 3dwp s MET 10 CO 0.00 -0.11 -0.20 -0.06 -2.03 0.00 0.00 175.02 172.62 3dwp s PHE 11 N -0.25 2.76 0.16 3.16 2.99 -0.30 -4.98 117.98 121.52 3dwp s PHE 11 Ca -0.04 -1.57 -0.01 0.00 0.00 0.00 0.00 56.93 55.31 3dwp s PHE 11 Cb -0.03 -1.90 -0.04 0.00 0.00 0.00 0.00 43.02 41.04 3dwp s PHE 11 CO 0.02 -0.76 0.35 -1.12 -0.00 0.00 0.00 175.22 173.71 3dwp s SER 12 N 1.19 6.40 -1.06 1.36 0.01 -1.26 -0.31 113.70 120.03 3dwp s SER 12 Ca 0.02 0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 3dwp s SER 12 Cb -0.14 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.09 3dwp s SER 12 CO -0.10 0.02 0.37 0.61 0.41 0.00 0.00 173.24 174.55 3dwp n GLY 13 N -0.33 -0.13 3.74 3.44 0.00 -1.03 -4.76 105.19 106.12 3dwp n GLY 13 Ca -0.04 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3dwp n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwp s VAL 14 N -2.94 5.21 -0.23 1.61 1.01 -0.11 -4.33 120.40 120.62 3dwp s VAL 14 Ca 0.19 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 3dwp s VAL 14 Cb -0.08 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3dwp s VAL 14 CO 0.23 0.38 0.42 -0.69 0.00 0.00 0.00 175.10 175.43 3dwp s VAL 15 N 0.35 5.17 -0.33 2.92 1.01 -1.03 0.27 120.40 128.76 3dwp s VAL 15 Ca 0.22 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3dwp s VAL 15 Cb -0.15 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3dwp s VAL 15 CO 0.08 0.20 1.55 -0.63 0.00 0.00 0.00 175.10 176.31 3dwp s ILE 16 N 1.68 3.76 -0.04 2.22 1.01 -1.26 -2.71 121.20 125.86 3dwp s ILE 16 Ca 0.19 0.81 0.16 0.00 0.00 0.00 0.00 60.65 61.80 3dwp s ILE 16 Cb -0.15 -3.93 -0.24 0.00 0.01 0.00 0.00 42.46 38.15 3dwp s ILE 16 CO 0.09 -0.53 0.31 0.35 0.00 0.00 0.00 174.94 175.16 3dwp n THR 17 N 6.93 0.15 -4.15 2.92 -2.24 -0.28 -4.61 114.28 113.00 3dwp n THR 17 Ca 0.19 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 3dwp n THR 17 Cb 0.47 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 3dwp n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwp s GLN 18 N -3.00 0.68 -0.07 -0.78 -0.21 -1.02 -4.99 119.66 110.27 3dwp s GLN 18 Ca -0.06 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 3dwp s GLN 18 Cb 0.09 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.54 3dwp s GLN 18 CO 0.66 0.13 0.17 0.12 -2.12 0.00 0.00 175.29 174.24 3dwp s PHE 19 N -1.17 -0.20 -0.03 0.91 5.36 -1.26 -2.44 117.98 119.15 3dwp s PHE 19 Ca -0.05 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 56.42 3dwp s PHE 19 Cb -0.09 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 3dwp s PHE 19 CO 0.01 -0.13 0.05 -1.58 -1.46 0.00 0.00 175.22 172.11 3dwp s HIS 20 N 0.57 -0.01 0.01 10.12 5.65 -0.40 -5.00 115.29 126.23 3dwp s HIS 20 Ca -0.04 0.19 0.08 0.00 0.25 0.00 0.00 55.06 55.55 3dwp s HIS 20 Cb -0.05 -0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.13 3dwp s HIS 20 CO -0.03 -0.10 -0.26 0.95 -0.65 0.00 0.00 174.74 174.66 3dwp s THR 21 N 1.00 2.16 0.00 0.89 -4.23 -1.26 0.20 115.64 114.40 3dwp s THR 21 Ca -0.08 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3dwp s THR 21 Cb -0.12 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.92 3dwp s THR 21 CO -0.03 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3dwp n GLY 22 N 2.07 3.21 3.05 3.99 0.00 -0.67 -5.01 105.19 111.84 3dwp n GLY 22 Ca -0.16 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 3dwp n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwp s GLN 23 N 0.48 0.79 -0.05 1.61 0.74 -1.26 -1.33 119.66 120.65 3dwp s GLN 23 Ca 0.00 -0.44 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 3dwp s GLN 23 Cb 0.00 -0.76 0.03 0.00 1.10 0.00 0.00 33.01 33.38 3dwp s GLN 23 CO 0.00 0.20 0.10 -1.50 -0.55 0.00 0.00 175.29 173.54 3dwp s ILE 24 N -0.40 -0.05 -1.38 -2.34 2.07 -0.29 -4.96 121.20 113.85 3dwp s ILE 24 Ca 0.02 0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.41 3dwp s ILE 24 Cb -0.05 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.37 3dwp s ILE 24 CO -0.00 0.07 0.44 0.47 -1.91 0.00 0.00 174.94 174.01 3dwp n ASP 25 N 4.06 -0.73 -0.87 4.50 8.00 -1.26 -1.15 116.55 129.10 3dwp n ASP 25 Ca -0.25 -1.02 -0.11 0.00 0.71 0.00 0.00 54.79 54.11 3dwp n ASP 25 Cb 0.52 -3.00 -0.05 0.00 -0.02 0.00 0.00 41.12 38.57 3dwp n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dwp n ASN 26 N -2.94 -4.65 -3.99 -2.24 5.15 -1.26 -4.98 115.26 100.34 3dwp n ASN 26 Ca -0.29 0.28 -0.25 0.00 -0.60 0.00 0.00 54.58 53.72 3dwp n ASN 26 Cb 0.68 -3.15 -0.17 0.00 -0.53 0.00 0.00 39.78 36.62 3dwp n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwp s LYS 27 N -2.85 1.64 0.54 1.20 -0.14 -0.30 -5.12 119.74 114.70 3dwp s LYS 27 Ca 0.00 -0.37 -0.21 0.00 -1.36 0.00 0.00 55.97 54.03 3dwp s LYS 27 Cb 0.00 -1.44 -0.05 0.00 -1.68 0.00 0.00 37.83 34.66 3dwp s LYS 27 CO 0.00 -0.05 1.23 -1.25 -0.76 0.00 0.00 175.35 174.52 3dwp s PRO 28 N 0.93 3.29 0.09 -1.68 0.04 -1.26 -1.14 135.00 135.26 3dwp s PRO 28 Ca -0.10 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 3dwp s PRO 28 Cb -0.15 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3dwp s PRO 28 CO 0.01 -0.97 0.00 1.52 0.04 0.00 0.00 177.00 177.60 3dwp s TYR 29 N -1.51 0.69 0.08 0.56 -0.85 -0.44 -1.56 117.35 114.31 3dwp s TYR 29 Ca 0.71 -1.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 3dwp s TYR 29 Cb -0.32 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.55 3dwp s TYR 29 CO 0.37 -0.43 -0.08 -0.59 -1.52 0.00 0.00 175.55 173.30 3dwp s PHE 30 N -3.96 0.88 0.09 -3.49 -0.12 -0.48 -1.67 117.98 109.23 3dwp s PHE 30 Ca 0.15 -0.66 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 3dwp s PHE 30 Cb 0.08 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 3dwp s PHE 30 CO -0.05 -0.07 -0.16 0.00 -0.05 0.00 0.00 175.22 174.89 3dwp s ILE 32 N -1.35 1.60 0.03 0.00 -4.36 -0.78 -1.28 121.20 115.07 3dwp s ILE 32 Ca 0.02 -1.69 0.05 0.00 -0.26 0.00 0.00 60.65 58.77 3dwp s ILE 32 Cb -0.09 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3dwp s ILE 32 CO 0.03 -0.25 -0.15 -0.70 0.24 0.00 0.00 174.94 174.11 3dwp s GLU 33 N -2.39 1.01 0.01 0.37 -6.30 -1.02 -2.44 118.70 107.94 3dwp s GLU 33 Ca 0.09 -0.73 -0.10 0.00 -2.50 0.00 0.00 54.97 51.73 3dwp s GLU 33 Cb -0.07 -1.02 0.01 0.00 0.00 0.00 0.00 34.13 33.04 3dwp s GLU 33 CO 0.05 0.26 0.21 0.20 0.02 0.00 0.00 175.26 175.99 3dwp s GLY 34 N -0.99 -0.02 -0.02 -1.50 0.00 -0.46 -1.12 107.32 103.21 3dwp s GLY 34 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.76 3dwp s GLY 34 CO 0.01 -0.21 -0.18 0.54 0.00 0.00 0.00 173.10 173.26 3dwp s LYS 35 N -1.72 2.30 0.67 2.90 1.02 -1.10 -1.32 119.74 122.49 3dwp s LYS 35 Ca -0.12 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 3dwp s LYS 35 Cb -0.05 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 3dwp s LYS 35 CO 0.01 0.59 1.05 -0.65 -0.92 0.00 0.00 175.35 175.43 3dwp s GLN 36 N -0.93 3.12 0.29 1.68 -0.21 -0.91 -2.46 119.66 120.25 3dwp s GLN 36 Ca 0.12 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.32 3dwp s GLN 36 Cb -0.10 -2.02 0.69 0.00 1.00 0.00 0.00 33.01 32.58 3dwp s GLN 36 CO 0.02 -0.93 1.60 0.66 -2.12 0.00 0.00 175.29 174.52 3dwp h SER 37 N -0.59 -0.35 0.02 5.90 4.64 -1.92 0.40 113.55 121.65 3dwp h SER 37 Ca -0.44 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3dwp h SER 37 Cb 1.21 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3dwp h SER 37 CO 0.60 -0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 3dwp n ALA 38 N -3.00 1.34 0.00 5.18 0.00 -1.26 -4.87 120.51 117.90 3dwp n ALA 38 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3dwp n ALA 38 Cb 0.70 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3dwp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwp n GLY 39 N -1.11 3.00 3.68 0.00 0.00 0.14 -5.00 105.19 105.90 3dwp n GLY 39 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 3dwp n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwp n SER 40 N 0.00 3.13 -4.88 1.61 7.64 -1.26 -4.74 113.62 115.12 3dwp n SER 40 Ca 0.00 1.01 -0.32 0.00 1.01 0.00 0.00 58.87 60.57 3dwp n SER 40 Cb 0.00 -1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 61.82 3dwp n SER 40 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dwp s SER 41 N 3.32 6.18 -0.02 6.43 0.15 -1.26 -2.15 113.70 126.34 3dwp s SER 41 Ca 0.91 0.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.82 3dwp s SER 41 Cb -0.77 -1.88 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 3dwp s SER 41 CO 0.52 0.23 0.03 -0.51 1.20 0.00 0.00 173.24 174.70 3dwp s ILE 42 N -1.35 -0.01 0.08 6.45 -1.16 -0.44 -5.00 121.20 119.77 3dwp s ILE 42 Ca 0.29 0.20 0.08 0.00 -0.51 0.00 0.00 60.65 60.71 3dwp s ILE 42 Cb -0.13 -0.13 -0.04 0.00 0.61 0.00 0.00 42.46 42.78 3dwp s ILE 42 CO 0.21 0.11 -0.18 -0.44 -2.81 0.00 0.00 174.94 171.83 3dwp s SER 43 N 1.14 3.87 -0.23 4.50 0.01 -1.26 -1.36 113.70 120.38 3dwp s SER 43 Ca -0.08 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.44 3dwp s SER 43 Cb -0.13 -0.60 0.08 0.00 0.21 0.00 0.00 66.02 65.58 3dwp s SER 43 CO -0.03 0.22 0.74 0.00 0.41 0.00 0.00 173.24 174.59 3dwp s ALA 44 N -1.03 -1.80 0.09 1.44 0.00 -1.02 -4.67 121.76 114.76 3dwp s ALA 44 Ca 0.16 1.88 0.09 0.00 0.00 0.00 0.00 51.96 54.10 3dwp s ALA 44 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 3dwp s ALA 44 CO 0.08 -0.34 -0.23 0.00 0.00 0.00 0.00 175.76 175.27 3dwp s SER 46 N -1.75 3.43 -0.06 0.00 0.15 -0.27 -0.25 113.70 114.95 3dwp s SER 46 Ca 0.14 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.47 3dwp s SER 46 Cb -0.10 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 3dwp s SER 46 CO 0.06 0.31 -0.20 -0.32 1.20 0.00 0.00 173.24 174.29 3dwp s MET 47 N -0.56 2.22 0.17 5.44 1.75 -1.26 -1.38 119.30 125.68 3dwp s MET 47 Ca 0.08 -0.71 -0.31 0.00 -1.25 0.00 0.00 55.69 53.50 3dwp s MET 47 Cb -0.11 -1.84 -0.09 0.00 2.84 0.00 0.00 34.83 35.63 3dwp s MET 47 CO 0.00 0.24 1.45 0.21 -0.65 0.00 0.00 175.02 176.27 3dwp s LYS 48 N 0.14 4.28 -1.71 4.11 2.20 -0.60 -3.03 119.74 125.12 3dwp s LYS 48 Ca -0.08 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 3dwp s LYS 48 Cb -0.14 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3dwp s LYS 48 CO 0.04 -0.47 0.00 0.09 -0.36 0.00 0.00 175.35 174.65 3dwp n ASN 49 N 3.44 -5.12 -4.16 1.43 5.03 -1.22 -4.79 115.26 109.86 3dwp n ASN 49 Ca 0.11 0.40 -0.29 0.00 0.87 0.00 0.00 54.58 55.66 3dwp n ASN 49 Cb 0.41 -4.04 0.24 0.00 -1.02 0.00 0.00 39.78 35.36 3dwp n ASN 49 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3dwp s SER 50 N -2.76 1.01 0.00 6.41 1.04 -1.17 -4.88 113.70 113.35 3dwp s SER 50 Ca 0.00 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.45 3dwp s SER 50 Cb 0.00 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.57 3dwp s SER 50 CO 0.00 -4.12 0.36 -0.24 0.98 0.00 0.00 173.24 170.22 3dwp n SER 51 N -4.81 0.00 -0.08 7.02 2.88 -1.26 -3.65 113.62 113.72 3dwp n SER 51 Ca 0.08 0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.83 3dwp n SER 51 Cb 0.58 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 3dwp n SER 51 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3dwp h VAL 52 N 0.00 1.33 -0.55 2.46 2.07 -1.99 -3.40 116.25 116.17 3dwp h VAL 52 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3dwp h VAL 52 Cb 0.00 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3dwp h VAL 52 CO 0.00 0.45 0.00 0.79 0.02 0.00 0.00 177.57 178.83 3dwp n TRP 53 N -4.58 0.73 0.23 1.57 7.02 -1.26 -4.51 117.44 116.64 3dwp n TRP 53 Ca -0.14 -0.37 0.11 0.00 -1.02 0.00 0.00 57.50 56.08 3dwp n TRP 53 Cb 0.47 0.00 0.49 0.00 -2.42 0.00 0.00 31.31 29.86 3dwp n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dwp h GLY 54 N 4.63 0.00 2.00 6.99 0.00 -1.74 -2.86 103.07 112.10 3dwp h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwp h GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dwp h ALA 55 N 1.82 1.00 0.00 3.60 0.00 -1.82 -2.82 119.26 121.04 3dwp h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dwp h ALA 55 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dwp h ALA 55 CO 0.02 0.00 -0.80 0.43 0.00 0.00 0.00 179.25 178.90 3dwp n SER 56 N -3.05 0.75 -0.35 0.00 7.64 -1.08 -4.61 113.62 112.92 3dwp n SER 56 Ca -0.02 -0.62 0.02 0.00 1.01 0.00 0.00 58.87 59.26 3dwp n SER 56 Cb 0.14 0.68 0.08 0.00 -1.01 0.00 0.00 64.21 64.10 3dwp n SER 56 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dwp h PHE 57 N 0.00 -0.80 -0.25 1.43 3.57 -1.63 -0.74 116.94 118.52 3dwp h PHE 57 Ca 0.00 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3dwp h PHE 57 Cb 0.52 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3dwp h PHE 57 CO 0.00 -0.41 -0.04 1.03 -2.23 0.00 0.00 178.31 176.66 3dwp h SER 58 N -0.01 0.47 -0.32 0.41 0.87 -1.84 0.75 113.55 113.88 3dwp h SER 58 Ca 0.39 -0.35 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3dwp h SER 58 Cb 0.64 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3dwp h SER 58 CO -0.97 0.71 -0.18 0.74 -0.53 0.00 0.00 176.83 176.60 3dwp h THR 59 N 0.23 1.29 -0.49 2.23 2.02 -1.78 -2.59 112.91 113.82 3dwp h THR 59 Ca 0.07 -1.31 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 3dwp h THR 59 Cb 0.49 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3dwp h THR 59 CO 0.02 0.42 -0.15 -0.07 0.37 0.00 0.00 175.52 176.11 3dwp h LEU 60 N 0.44 0.96 0.28 2.58 3.38 -1.02 -0.47 115.31 121.46 3dwp h LEU 60 Ca 0.07 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3dwp h LEU 60 Cb 0.72 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dwp h LEU 60 CO 0.05 1.10 -0.13 0.22 0.09 0.00 0.00 178.44 179.77 3dwp h TYR 61 N 0.84 -0.34 -0.22 1.13 3.20 -0.87 0.27 116.97 120.97 3dwp h TYR 61 Ca 0.12 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 3dwp h TYR 61 Cb 0.70 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.02 3dwp h TYR 61 CO 0.04 -0.20 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.15 3dwp h ASN 62 N -0.39 -0.97 -0.37 -2.11 2.35 -1.41 -1.51 115.58 111.18 3dwp h ASN 62 Ca -0.04 0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3dwp h ASN 62 Cb 0.29 0.43 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3dwp h ASN 62 CO 0.06 -0.33 0.04 1.56 -1.65 0.00 0.00 177.43 177.11 3dwp h GLN 63 N -0.33 0.62 -0.60 0.81 1.08 -0.92 -1.79 115.11 113.98 3dwp h GLN 63 Ca 0.12 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3dwp h GLN 63 Cb 0.52 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 3dwp h GLN 63 CO -0.40 0.69 0.38 0.00 -0.95 0.00 0.00 178.83 178.55 3dwp h ALA 64 N 0.90 0.76 -0.60 3.87 0.00 -0.42 0.28 119.26 124.06 3dwp h ALA 64 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3dwp h ALA 64 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dwp h ALA 64 CO 0.01 0.23 0.05 1.25 0.00 0.00 0.00 179.25 180.78 3dwp h LEU 65 N 0.81 0.99 0.21 0.00 5.85 -1.25 0.17 115.31 122.10 3dwp h LEU 65 Ca 0.22 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3dwp h LEU 65 Cb -0.05 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3dwp h LEU 65 CO -0.04 1.03 -0.30 0.22 -0.34 0.00 0.00 178.44 179.00 3dwp h TYR 66 N 0.92 -0.82 -0.58 1.25 3.20 -1.11 -1.57 116.97 118.26 3dwp h TYR 66 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3dwp h TYR 66 Cb 0.49 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3dwp h TYR 66 CO 0.04 -0.42 0.25 0.74 -1.64 0.00 0.00 178.16 177.12 3dwp h PHE 67 N -0.58 0.83 -0.66 -3.82 0.04 -0.80 -1.64 116.94 110.31 3dwp h PHE 67 Ca 0.01 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3dwp h PHE 67 Cb 0.57 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3dwp h PHE 67 CO -0.23 0.63 0.40 -0.92 -0.60 0.00 0.00 178.31 177.59 3dwp h TYR 68 N 0.83 0.87 0.01 -0.55 3.20 -0.55 -1.67 116.97 119.10 3dwp h TYR 68 Ca 0.20 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3dwp h TYR 68 Cb 0.13 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3dwp h TYR 68 CO 0.01 0.58 -0.00 1.15 -1.64 0.00 0.00 178.16 178.26 3dwp h THR 69 N 0.91 1.41 0.00 1.81 2.02 -0.59 -3.28 112.91 115.20 3dwp h THR 69 Ca 0.24 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 3dwp h THR 69 Cb -0.03 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3dwp h THR 69 CO -0.04 0.33 -0.39 0.71 0.37 0.00 0.00 175.52 176.50 3dwp h THR 70 N -0.56 1.01 -0.14 3.16 1.35 -1.31 -3.47 112.91 112.94 3dwp h THR 70 Ca -0.00 -1.47 -0.06 0.00 -0.55 0.00 0.00 66.41 64.32 3dwp h THR 70 Cb 0.55 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3dwp h THR 70 CO 0.00 0.38 -0.06 0.61 -0.25 0.00 0.00 175.52 176.21 3dwp n GLY 71 N 0.02 0.62 3.83 5.82 0.00 -0.63 -5.02 105.19 109.83 3dwp n GLY 71 Ca -0.01 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3dwp n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dwp s GLN 72 N -1.69 4.15 0.06 1.61 -2.07 -1.25 -4.88 119.66 115.59 3dwp s GLN 72 Ca 0.00 0.95 -0.30 0.00 -1.82 0.00 0.00 55.36 54.19 3dwp s GLN 72 Cb 0.00 -2.29 -0.05 0.00 -1.09 0.00 0.00 33.01 29.58 3dwp s GLN 72 CO 0.00 0.05 1.12 -1.25 -1.32 0.00 0.00 175.29 173.89 3dwp s PRO 73 N -3.08 4.49 0.19 9.60 0.04 -1.26 -4.51 135.00 140.48 3dwp s PRO 73 Ca 0.59 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.28 3dwp s PRO 73 Cb -0.10 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3dwp s PRO 73 CO 0.15 -0.15 0.06 0.14 0.04 0.00 0.00 177.00 177.23 3dwp s VAL 74 N 0.89 0.41 -0.17 -0.36 -7.23 0.14 -3.32 120.40 110.77 3dwp s VAL 74 Ca 0.55 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.62 3dwp s VAL 74 Cb -0.27 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3dwp s VAL 74 CO 0.29 -0.28 0.26 -0.60 -0.31 0.00 0.00 175.10 174.46 3dwp s ARG 75 N -4.01 4.24 -0.33 4.82 3.52 0.19 -0.94 118.95 126.44 3dwp s ARG 75 Ca 0.30 0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 55.79 3dwp s ARG 75 Cb 0.07 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3dwp s ARG 75 CO 0.07 0.24 0.24 0.42 -0.81 0.00 0.00 175.30 175.46 3dwp s ILE 76 N 0.49 5.28 -0.09 4.11 -1.09 0.58 -2.56 121.20 127.93 3dwp s ILE 76 Ca 0.14 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.28 3dwp s ILE 76 Cb -0.13 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 3dwp s ILE 76 CO 0.03 0.03 0.40 -0.31 -1.23 0.00 0.00 174.94 173.85 3dwp s TYR 77 N 1.75 3.57 0.06 3.97 2.02 -0.93 -1.14 117.35 126.65 3dwp s TYR 77 Ca 0.07 0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 57.55 3dwp s TYR 77 Cb -0.17 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 3dwp s TYR 77 CO 0.11 0.36 0.09 1.52 -1.57 0.00 0.00 175.55 176.05 3dwp s TYR 78 N -0.02 0.30 -0.23 2.71 -0.85 -0.44 -0.95 117.35 117.88 3dwp s TYR 78 Ca 0.22 -0.75 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 3dwp s TYR 78 Cb -0.15 -0.20 0.05 0.00 0.38 0.00 0.00 41.96 42.04 3dwp s TYR 78 CO 0.09 -0.44 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.56 3dwp s GLU 79 N -3.60 2.27 0.74 -3.49 2.12 -0.24 -0.01 118.70 116.49 3dwp s GLU 79 Ca 0.03 -1.08 -0.13 0.00 0.36 0.00 0.00 54.97 54.16 3dwp s GLU 79 Cb 0.05 -2.67 0.04 0.00 0.26 0.00 0.00 34.13 31.81 3dwp s GLU 79 CO -0.09 -0.46 1.12 -1.25 -0.54 0.00 0.00 175.26 174.03 3dwp s PRO 80 N 1.25 2.32 -0.75 4.30 0.04 -1.26 -1.21 135.00 139.68 3dwp s PRO 80 Ca -0.04 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3dwp s PRO 80 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3dwp s PRO 80 CO -0.08 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.75 3dwp n GLY 81 N -0.59 0.93 0.08 0.56 0.00 -1.21 -4.88 105.19 100.08 3dwp n GLY 81 Ca 0.10 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3dwp n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwp h VAL 82 N 0.00 1.33 -3.56 1.61 2.07 -0.71 -3.46 116.25 113.53 3dwp h VAL 82 Ca -0.15 -2.18 -0.52 0.00 0.82 0.00 0.00 66.70 64.68 3dwp h VAL 82 Cb 0.47 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 3dwp h VAL 82 CO 0.21 0.45 0.23 0.26 0.02 0.00 0.00 177.57 178.74 3dwp s TRP 83 N -2.24 3.89 0.00 1.57 0.23 -0.41 -4.96 118.94 117.02 3dwp s TRP 83 Ca -0.22 1.68 0.00 0.00 -2.03 0.00 0.00 56.10 55.53 3dwp s TRP 83 Cb 0.01 -2.84 0.00 0.00 0.03 0.00 0.00 33.47 30.66 3dwp s TRP 83 CO 0.60 0.44 0.00 0.25 0.96 0.00 0.00 176.95 179.21 3dwp n THR 84 N 1.86 0.00 -1.62 2.01 -2.24 -1.26 -4.55 114.28 108.47 3dwp n THR 84 Ca -0.04 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3dwp n THR 84 Cb 0.49 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 3dwp n THR 84 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dwp s TYR 85 N -1.00 1.19 0.19 4.78 5.04 -1.26 -4.89 117.35 121.40 3dwp s TYR 85 Ca 0.00 0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 54.68 3dwp s TYR 85 Cb 0.00 -4.05 0.18 0.00 0.35 0.00 0.00 41.96 38.44 3dwp s TYR 85 CO 0.00 -4.66 1.78 -1.35 -1.34 0.00 0.00 175.55 169.97 3dwp h PRO 86 N 13.50 0.47 -0.31 4.97 0.11 -1.99 -1.15 132.00 147.59 3dwp h PRO 86 Ca -0.44 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3dwp h PRO 86 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3dwp h PRO 86 CO 0.95 0.31 0.21 -1.35 -0.21 0.00 0.00 178.00 177.92 3dwp h PRO 87 N 0.48 0.21 -0.12 1.05 0.11 -2.00 -1.40 132.00 130.33 3dwp h PRO 87 Ca 0.25 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 3dwp h PRO 87 Cb 0.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3dwp h PRO 87 CO -0.20 0.14 -0.13 0.35 -0.21 0.00 0.00 178.00 177.95 3dwp h PHE 88 N 0.21 0.36 -0.27 0.65 3.57 -1.64 -2.43 116.94 117.40 3dwp h PHE 88 Ca 0.14 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3dwp h PHE 88 Cb 0.28 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3dwp h PHE 88 CO -0.00 0.72 0.09 0.28 -2.23 0.00 0.00 178.31 177.17 3dwp h VAL 89 N -0.11 0.93 -0.24 1.41 2.07 -1.10 -0.44 116.25 118.77 3dwp h VAL 89 Ca 0.02 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dwp h VAL 89 Cb 0.66 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3dwp h VAL 89 CO 0.03 0.04 0.12 0.50 0.02 0.00 0.00 177.57 178.28 3dwp h LYS 90 N 0.21 0.25 0.00 1.57 3.64 -1.31 -2.87 116.57 118.05 3dwp h LYS 90 Ca 0.12 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3dwp h LYS 90 Cb 0.09 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3dwp h LYS 90 CO -0.12 0.16 -0.66 0.00 -2.27 0.00 0.00 179.45 176.57 3dwp h ALA 91 N 1.12 0.73 -3.00 5.00 0.00 -1.33 -3.45 119.26 118.33 3dwp h ALA 91 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dwp h ALA 91 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dwp h ALA 91 CO -0.06 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.29 3dwp n LEU 92 N -3.49 0.00 -3.53 0.00 4.77 -0.18 -5.10 117.00 109.46 3dwp n LEU 92 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3dwp n LEU 92 Cb 0.71 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3dwp n LEU 92 CO 0.42 0.00 0.77 0.28 -1.33 0.00 0.00 177.39 177.53 3dwp s THR 93 N 0.69 0.00 -0.71 -5.08 -1.32 -1.09 -4.95 115.64 103.18 3dwp s THR 93 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 3dwp s THR 93 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 3dwp s THR 93 CO 0.00 0.00 1.34 -1.54 -2.21 0.00 0.00 174.62 172.21 3dwp n SER 94 N -0.13 0.64 -4.70 8.08 3.41 -1.26 -4.32 113.62 115.33 3dwp n SER 94 Ca -0.07 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 3dwp n SER 94 Cb 0.61 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 3dwp n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dwp s ASN 95 N -3.96 6.70 0.08 4.04 0.01 -1.26 -0.19 114.94 120.37 3dwp s ASN 95 Ca 0.07 2.37 -0.22 0.00 -0.71 0.00 0.00 52.86 54.37 3dwp s ASN 95 Cb 0.14 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 3dwp s ASN 95 CO 0.72 -0.80 0.66 0.00 -1.51 0.00 0.00 177.10 176.17 3dwp s ALA 96 N 2.18 3.50 -0.06 0.60 0.00 -0.35 -1.25 121.76 126.38 3dwp s ALA 96 Ca 0.69 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 3dwp s ALA 96 Cb -0.37 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3dwp s ALA 96 CO 0.30 0.28 1.08 -1.17 0.00 0.00 0.00 175.76 176.25 3dwp s LEU 97 N -0.82 4.29 0.00 0.00 2.96 0.65 -1.07 118.68 124.68 3dwp s LEU 97 Ca 0.33 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 3dwp s LEU 97 Cb -0.21 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3dwp s LEU 97 CO 0.21 -0.47 0.31 1.33 -1.32 0.00 0.00 176.35 176.42 3dwp n VAL 98 N 4.42 0.00 0.00 1.68 0.24 -0.12 -4.77 118.33 119.79 3dwp n VAL 98 Ca 0.09 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3dwp n VAL 98 Cb 0.48 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3dwp n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwp n GLY 99 N 0.25 1.21 3.18 7.63 0.00 -1.22 -4.62 105.19 111.63 3dwp n GLY 99 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 3dwp n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwp s LEU 100 N 0.00 1.10 -0.03 0.99 1.43 -1.26 -2.18 118.68 118.72 3dwp s LEU 100 Ca 0.00 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3dwp s LEU 100 Cb 0.00 1.02 0.01 0.00 0.03 0.00 0.00 46.19 47.25 3dwp s LEU 100 CO 0.00 -0.37 0.17 -0.44 0.23 0.00 0.00 176.35 175.94 3dwp s SER 101 N -1.12 -0.09 0.80 2.29 0.01 -1.06 -4.97 113.70 109.56 3dwp s SER 101 Ca -0.12 0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 3dwp s SER 101 Cb -0.06 0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.54 3dwp s SER 101 CO 0.03 -0.22 1.11 0.42 0.41 0.00 0.00 173.24 174.99 3dwp s THR 102 N -0.62 3.02 0.09 1.44 -4.23 -1.26 0.55 115.64 114.63 3dwp s THR 102 Ca -0.07 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 60.85 3dwp s THR 102 Cb -0.04 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 3dwp s THR 102 CO 0.01 -0.42 -0.18 0.00 -0.54 0.00 0.00 174.62 173.49 3dwp n THR 104 N 1.11 1.61 -4.25 0.00 -2.24 0.86 -4.96 114.28 106.41 3dwp n THR 104 Ca -0.20 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 3dwp n THR 104 Cb 0.54 -1.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.27 3dwp n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwp n THR 105 N -3.30 0.00 0.30 4.28 -2.24 -0.46 -4.97 114.28 107.89 3dwp n THR 105 Ca -0.38 -1.16 0.16 0.00 -2.27 0.00 0.00 64.05 60.40 3dwp n THR 105 Cb 1.03 0.41 0.63 0.00 -2.10 0.00 0.00 70.33 70.30 3dwp n THR 105 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dwp h SER 106 N 0.79 0.00 0.00 3.42 4.64 -1.92 -3.22 113.55 117.25 3dwp h SER 106 Ca -0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3dwp h SER 106 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3dwp h SER 106 CO 0.25 0.00 -1.13 0.35 -0.87 0.00 0.00 176.83 175.43 3dwp n THR 107 N -2.92 0.03 -3.89 2.95 -2.24 -1.26 -2.96 114.28 104.00 3dwp n THR 107 Ca 0.01 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 3dwp n THR 107 Cb 0.30 0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.56 3dwp n THR 107 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dwp s GLU 108 N -2.16 3.53 0.02 -0.78 0.41 -1.22 -4.94 118.70 113.56 3dwp s GLU 108 Ca -0.01 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 53.99 3dwp s GLU 108 Cb 0.02 -3.14 -0.02 0.00 -1.78 0.00 0.00 34.13 29.21 3dwp s GLU 108 CO 0.11 -0.15 -0.02 0.00 -0.49 0.00 0.00 175.26 174.71 3dwp s PHE 110 N -1.55 2.98 0.00 0.00 5.36 -0.53 -4.86 117.98 119.39 3dwp s PHE 110 Ca -0.15 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3dwp s PHE 110 Cb -0.09 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 3dwp s PHE 110 CO -0.01 -1.83 0.00 0.41 -1.46 0.00 0.00 175.22 172.33 3dwp n GLY 111 N 0.74 -1.25 3.84 13.12 0.00 -1.26 -4.69 105.19 115.68 3dwp n GLY 111 Ca 0.02 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 3dwp n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwp s PRO 112 N -0.29 1.97 0.24 1.61 0.04 -1.26 -5.06 135.00 132.26 3dwp s PRO 112 Ca 0.00 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.23 3dwp s PRO 112 Cb 0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3dwp s PRO 112 CO 0.00 -1.64 0.76 -0.51 0.04 0.00 0.00 177.00 175.64 3dwp s ASP 113 N -4.18 7.08 -0.51 6.66 1.01 -1.26 -4.97 116.67 120.50 3dwp s ASP 113 Ca 0.61 1.47 0.00 0.00 0.71 0.00 0.00 52.55 55.35 3dwp s ASP 113 Cb -0.13 -2.44 0.13 0.00 1.01 0.00 0.00 42.92 41.49 3dwp s ASP 113 CO 0.52 -0.00 0.28 -0.60 0.21 0.00 0.00 175.17 175.58 3dwp s ARG 114 N -2.06 2.11 -0.13 8.23 3.52 -1.26 -4.52 118.95 124.83 3dwp s ARG 114 Ca 0.45 -2.35 -0.11 0.00 -0.13 0.00 0.00 55.73 53.59 3dwp s ARG 114 Cb -0.16 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3dwp s ARG 114 CO 0.21 -1.10 0.34 -1.59 -0.81 0.00 0.00 175.30 172.35 3dwp s LYS 115 N 0.20 0.39 0.00 5.12 -2.85 -0.87 -3.34 119.74 118.39 3dwp s LYS 115 Ca 0.15 0.48 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 3dwp s LYS 115 Cb -0.22 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 3dwp s LYS 115 CO -0.03 -0.05 0.33 1.63 0.10 0.00 0.00 175.35 177.33