#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 -0.75 0.31 -1.84 -0.00 -1.26 -5.02 118.94 110.38 3dwp s TRP 2 Ca 0.00 1.82 0.11 0.00 -0.00 0.00 0.00 56.10 58.03 3dwp s TRP 2 Cb 0.00 0.27 0.98 0.00 -0.00 0.00 0.00 33.47 34.72 3dwp s TRP 2 CO 0.00 -0.36 1.42 2.41 -0.00 0.00 0.00 176.95 180.42 3dwp n THR 3 N 2.80 -0.38 0.87 5.86 -1.04 -1.26 -1.66 114.28 119.47 3dwp n THR 3 Ca -0.14 1.91 0.05 0.00 -2.04 0.00 0.00 64.05 63.82 3dwp n THR 3 Cb 0.55 -2.95 0.15 0.00 -1.82 0.00 0.00 70.33 66.26 3dwp n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dwp n GLY 4 N -1.33 0.70 3.73 3.41 0.00 -1.26 -4.59 105.19 105.84 3dwp n GLY 4 Ca 0.29 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3dwp n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwp s ASP 5 N -0.94 4.42 -1.34 1.61 1.01 -0.66 -4.69 116.67 116.07 3dwp s ASP 5 Ca 0.22 2.49 -0.17 0.00 0.71 0.00 0.00 52.55 55.81 3dwp s ASP 5 Cb 0.12 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.51 3dwp s ASP 5 CO 0.14 -2.12 1.87 0.00 0.21 0.00 0.00 175.17 175.27 3dwp n ALA 6 N -2.28 4.10 -2.74 5.23 0.00 -1.26 -4.00 120.51 119.56 3dwp n ALA 6 Ca 0.15 -3.86 -0.10 0.00 0.00 0.00 0.00 53.44 49.62 3dwp n ALA 6 Cb 0.49 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.29 3dwp n ALA 6 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dwp s ARG 7 N 3.91 1.25 0.23 0.00 0.52 -1.13 -4.37 118.95 119.35 3dwp s ARG 7 Ca 0.52 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 3dwp s ARG 7 Cb 0.07 0.38 -0.09 0.00 0.52 0.00 0.00 34.95 35.82 3dwp s ARG 7 CO 0.03 -0.47 1.37 -0.51 0.02 0.00 0.00 175.30 175.75 3dwp s ASP 8 N -3.00 6.78 0.00 0.23 1.01 -1.26 -2.18 116.67 118.25 3dwp s ASP 8 Ca 0.21 2.54 0.00 0.00 0.71 0.00 0.00 52.55 56.01 3dwp s ASP 8 Cb 0.03 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3dwp s ASP 8 CO 0.04 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.42 3dwp n GLY 9 N 2.19 1.55 3.48 0.21 0.00 -0.05 -4.37 105.19 108.20 3dwp n GLY 9 Ca 0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.63 0.87 -0.15 1.61 0.23 -1.24 -1.58 119.30 118.40 3dwp s MET 10 Ca 0.00 0.44 0.02 0.00 -1.03 0.00 0.00 55.69 55.11 3dwp s MET 10 Cb 0.00 0.41 0.02 0.00 -1.53 0.00 0.00 34.83 33.73 3dwp s MET 10 CO 0.00 -0.21 -0.19 -0.06 -2.03 0.00 0.00 175.02 172.53 3dwp s PHE 11 N -0.60 2.55 0.30 3.16 0.40 -0.84 -4.99 117.98 117.97 3dwp s PHE 11 Ca -0.07 -1.38 0.01 0.00 -0.60 0.00 0.00 56.93 54.90 3dwp s PHE 11 Cb -0.03 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 3dwp s PHE 11 CO 0.05 -0.67 0.49 -1.12 0.70 0.00 0.00 175.22 174.67 3dwp s SER 12 N 1.09 6.32 -1.34 1.36 0.01 -1.26 -1.35 113.70 118.53 3dwp s SER 12 Ca -0.01 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.58 3dwp s SER 12 Cb -0.14 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.11 3dwp s SER 12 CO -0.07 -0.21 0.86 0.61 0.41 0.00 0.00 173.24 174.84 3dwp n GLY 13 N -1.53 -0.37 3.61 3.44 0.00 -0.99 -4.80 105.19 104.54 3dwp n GLY 13 Ca -0.06 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.51 4.65 -0.25 1.61 1.01 1.00 -4.32 120.40 120.59 3dwp s VAL 14 Ca 0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 3dwp s VAL 14 Cb -0.09 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3dwp s VAL 14 CO 0.79 0.46 0.40 -0.69 0.00 0.00 0.00 175.10 176.06 3dwp s VAL 15 N 0.45 5.17 -0.30 2.92 1.01 -0.87 -0.17 120.40 128.60 3dwp s VAL 15 Ca 0.02 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3dwp s VAL 15 Cb -0.13 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 3dwp s VAL 15 CO 0.01 0.18 1.38 -0.63 0.00 0.00 0.00 175.10 176.03 3dwp s ILE 16 N 1.87 4.02 -0.04 2.22 1.01 -1.26 -2.54 121.20 126.48 3dwp s ILE 16 Ca 0.17 1.13 0.08 0.00 0.00 0.00 0.00 60.65 62.04 3dwp s ILE 16 Cb -0.15 -4.08 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 3dwp s ILE 16 CO 0.09 -0.49 0.13 0.35 0.00 0.00 0.00 174.94 175.02 3dwp n THR 17 N 6.39 0.24 -4.34 2.92 -2.24 0.08 -4.57 114.28 112.76 3dwp n THR 17 Ca 0.16 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 3dwp n THR 17 Cb 0.47 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.45 1.03 -0.06 -0.78 -1.52 -0.94 -5.00 119.66 109.94 3dwp s GLN 18 Ca -0.04 -0.94 -0.03 0.00 -1.95 0.00 0.00 55.36 52.41 3dwp s GLN 18 Cb 0.04 -1.12 0.04 0.00 -0.22 0.00 0.00 33.01 31.75 3dwp s GLN 18 CO 0.36 0.27 0.14 0.12 -0.25 0.00 0.00 175.29 175.92 3dwp s PHE 19 N -1.03 -0.15 0.01 0.91 5.36 -1.26 -2.19 117.98 119.63 3dwp s PHE 19 Ca 0.03 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.47 3dwp s PHE 19 Cb -0.09 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.49 3dwp s PHE 19 CO 0.02 -0.15 -0.10 -1.58 -1.46 0.00 0.00 175.22 171.95 3dwp s HIS 20 N 1.08 0.85 -0.03 10.12 5.65 -0.22 -4.99 115.29 127.76 3dwp s HIS 20 Ca -0.08 -0.25 0.03 0.00 0.25 0.00 0.00 55.06 55.00 3dwp s HIS 20 Cb -0.11 -0.53 0.00 0.00 -1.18 0.00 0.00 32.58 30.77 3dwp s HIS 20 CO -0.05 -0.01 -0.10 -0.08 -0.65 0.00 0.00 174.74 173.85 3dwp s THR 21 N -0.54 0.83 0.00 0.89 -1.32 -1.26 -0.05 115.64 114.19 3dwp s THR 21 Ca 0.01 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 3dwp s THR 21 Cb -0.05 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3dwp s THR 21 CO 0.00 0.26 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 3dwp n GLY 22 N 3.26 2.66 2.93 6.08 0.00 -0.34 -5.00 105.19 114.78 3dwp n GLY 22 Ca -0.18 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.73 0.07 -0.01 1.61 0.74 -1.26 -1.11 119.66 118.97 3dwp s GLN 23 Ca 0.00 0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.50 3dwp s GLN 23 Cb 0.00 0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.14 3dwp s GLN 23 CO 0.00 -0.01 -0.00 -1.50 -0.55 0.00 0.00 175.29 173.23 3dwp s ILE 24 N 0.06 0.06 -1.55 -2.34 2.07 -0.61 -4.92 121.20 113.98 3dwp s ILE 24 Ca -0.00 0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3dwp s ILE 24 Cb -0.01 -0.09 0.06 0.00 0.13 0.00 0.00 42.46 42.55 3dwp s ILE 24 CO -0.00 0.04 0.44 -0.67 -1.91 0.00 0.00 174.94 172.84 3dwp n ASP 25 N 3.35 -0.93 -0.62 4.50 2.03 -1.26 -0.92 116.55 122.70 3dwp n ASP 25 Ca -0.16 -1.08 -0.08 0.00 0.52 0.00 0.00 54.79 53.98 3dwp n ASP 25 Cb 0.57 -2.56 -0.03 0.00 -0.72 0.00 0.00 41.12 38.38 3dwp n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3dwp n ASN 26 N -2.84 -4.46 -4.09 1.67 5.15 -1.26 -5.01 115.26 104.41 3dwp n ASN 26 Ca -0.18 0.20 -0.29 0.00 -0.60 0.00 0.00 54.58 53.71 3dwp n ASN 26 Cb 0.62 -2.67 -0.17 0.00 -0.53 0.00 0.00 39.78 37.03 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 -2.42 2.36 0.47 1.20 1.02 -0.09 -5.12 119.74 117.16 3dwp s LYS 27 Ca 0.00 -0.62 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 3dwp s LYS 27 Cb 0.00 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 3dwp s LYS 27 CO 0.00 0.00 1.22 -1.25 -0.92 0.00 0.00 175.35 174.40 3dwp s PRO 28 N 0.80 3.67 0.06 -1.68 0.04 -1.26 -1.57 135.00 135.06 3dwp s PRO 28 Ca -0.10 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 3dwp s PRO 28 Cb -0.16 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3dwp s PRO 28 CO 0.01 -0.66 -0.00 1.52 0.04 0.00 0.00 177.00 177.91 3dwp s TYR 29 N -1.46 0.51 0.09 0.56 -0.85 -0.26 -0.75 117.35 115.18 3dwp s TYR 29 Ca 0.64 -1.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.20 3dwp s TYR 29 Cb -0.32 -0.36 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 3dwp s TYR 29 CO 0.39 -0.41 -0.10 -0.59 -1.52 0.00 0.00 175.55 173.32 3dwp s PHE 30 N -3.92 1.06 0.04 -3.49 -0.12 -0.21 -1.19 117.98 110.14 3dwp s PHE 30 Ca 0.08 -0.63 0.05 0.00 -0.05 0.00 0.00 56.93 56.38 3dwp s PHE 30 Cb 0.08 -0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3dwp s PHE 30 CO -0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 175.22 174.93 3dwp s ILE 32 N -0.85 1.87 0.04 0.00 -4.36 -0.53 -1.05 121.20 116.32 3dwp s ILE 32 Ca 0.02 -1.76 0.05 0.00 -0.26 0.00 0.00 60.65 58.70 3dwp s ILE 32 Cb -0.08 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 3dwp s ILE 32 CO 0.01 -0.15 -0.14 -0.70 0.24 0.00 0.00 174.94 174.20 3dwp s GLU 33 N -2.35 0.91 0.16 0.37 -6.30 -0.93 -2.36 118.70 108.20 3dwp s GLU 33 Ca 0.12 -0.79 -0.14 0.00 -2.50 0.00 0.00 54.97 51.66 3dwp s GLU 33 Cb -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 34.13 33.15 3dwp s GLU 33 CO 0.06 0.22 0.40 0.20 0.02 0.00 0.00 175.26 176.16 3dwp s GLY 34 N -1.24 0.06 0.06 -1.50 0.00 -0.81 -0.74 107.32 103.15 3dwp s GLY 34 Ca 0.01 -0.42 0.07 0.00 0.00 0.00 0.00 44.72 44.38 3dwp s GLY 34 CO 0.01 -0.49 -0.19 0.54 0.00 0.00 0.00 173.10 172.97 3dwp s LYS 35 N -3.89 1.20 -0.81 2.90 -0.14 -1.05 -1.23 119.74 116.73 3dwp s LYS 35 Ca 0.10 -0.98 0.02 0.00 -1.36 0.00 0.00 55.97 53.75 3dwp s LYS 35 Cb 0.01 -1.34 0.31 0.00 -1.68 0.00 0.00 37.83 35.13 3dwp s LYS 35 CO -0.05 0.33 1.23 0.00 -0.76 0.00 0.00 175.35 176.10 3dwp n GLN 36 N 1.60 3.88 0.00 1.68 10.64 -0.23 -2.04 117.38 132.90 3dwp n GLN 36 Ca -0.18 -4.71 0.00 0.00 -1.83 0.00 0.00 57.00 50.28 3dwp n GLN 36 Cb 0.54 -2.36 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 3dwp n GLN 36 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3dwp n SER 37 N 0.37 0.00 0.00 2.61 3.41 -1.26 -3.66 113.62 115.08 3dwp n SER 37 Ca 0.34 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.97 3dwp n SER 37 Cb 0.35 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.42 3dwp n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwp n ALA 38 N 0.00 1.43 -0.99 7.33 0.00 -1.26 -4.89 120.51 122.13 3dwp n ALA 38 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dwp n ALA 38 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.87 0.80 3.77 0.00 0.00 -1.24 -5.04 105.19 102.61 3dwp n GLY 39 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3dwp n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwp s SER 40 N -2.63 5.86 0.07 1.61 1.04 -1.26 -4.71 113.70 113.68 3dwp s SER 40 Ca 0.00 2.94 0.09 0.00 0.48 0.00 0.00 55.95 59.46 3dwp s SER 40 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 3dwp s SER 40 CO 0.00 -1.19 -0.25 -0.55 0.98 0.00 0.00 173.24 172.23 3dwp s SER 41 N -0.49 3.34 -0.02 7.02 0.15 -1.26 -1.06 113.70 121.37 3dwp s SER 41 Ca 0.61 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3dwp s SER 41 Cb -0.44 -0.34 0.03 0.00 -1.71 0.00 0.00 66.02 63.56 3dwp s SER 41 CO 0.57 0.24 0.02 -0.51 1.20 0.00 0.00 173.24 174.76 3dwp s ILE 42 N -0.89 -0.02 0.02 6.45 1.10 -0.37 -5.01 121.20 122.48 3dwp s ILE 42 Ca 0.13 0.17 0.06 0.00 -0.51 0.00 0.00 60.65 60.50 3dwp s ILE 42 Cb -0.10 -0.10 -0.03 0.00 0.15 0.00 0.00 42.46 42.38 3dwp s ILE 42 CO 0.04 0.09 -0.15 -0.44 -2.11 0.00 0.00 174.94 172.36 3dwp s SER 43 N 0.93 3.99 -0.19 4.50 0.01 -1.26 -1.93 113.70 119.75 3dwp s SER 43 Ca -0.08 -0.34 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 3dwp s SER 43 Cb -0.11 -0.73 0.05 0.00 0.21 0.00 0.00 66.02 65.44 3dwp s SER 43 CO -0.02 0.27 0.55 0.00 0.41 0.00 0.00 173.24 174.45 3dwp s ALA 44 N -0.91 -1.38 0.07 1.44 0.00 -1.00 -4.63 121.76 115.36 3dwp s ALA 44 Ca 0.15 1.49 0.09 0.00 0.00 0.00 0.00 51.96 53.69 3dwp s ALA 44 Cb -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3dwp s ALA 44 CO 0.05 -0.27 -0.22 0.00 0.00 0.00 0.00 175.76 175.32 3dwp s SER 46 N -1.65 3.43 -0.07 0.00 0.15 -0.17 -0.28 113.70 115.11 3dwp s SER 46 Ca 0.15 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3dwp s SER 46 Cb -0.10 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.35 3dwp s SER 46 CO 0.06 0.27 -0.11 -0.32 1.20 0.00 0.00 173.24 174.34 3dwp s MET 47 N -0.30 1.56 0.24 5.44 0.00 -1.26 -1.05 119.30 123.94 3dwp s MET 47 Ca 0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 3dwp s MET 47 Cb -0.13 -1.34 -0.10 0.00 0.00 0.00 0.00 34.83 33.26 3dwp s MET 47 CO 0.02 -0.01 1.51 0.21 0.00 0.00 0.00 175.02 176.75 3dwp s LYS 48 N 0.79 4.22 -1.33 4.11 2.20 0.07 -3.19 119.74 126.62 3dwp s LYS 48 Ca -0.12 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3dwp s LYS 48 Cb -0.15 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3dwp s LYS 48 CO 0.02 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.58 3dwp n ASN 49 N 2.70 -4.51 -4.83 1.43 3.02 -1.24 -4.65 115.26 107.18 3dwp n ASN 49 Ca 0.09 0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 3dwp n ASN 49 Cb 0.39 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.99 3dwp n ASN 49 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dwp s SER 50 N -2.49 6.33 0.16 6.41 1.04 -1.19 -4.94 113.70 119.02 3dwp s SER 50 Ca 0.00 1.67 -0.22 0.00 0.48 0.00 0.00 55.95 57.87 3dwp s SER 50 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.66 3dwp s SER 50 CO 0.00 -0.79 1.61 0.77 0.98 0.00 0.00 173.24 175.81 3dwp h SER 51 N 0.78 -0.97 0.00 7.02 4.64 -1.95 -3.05 113.55 120.02 3dwp h SER 51 Ca -0.47 0.18 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 3dwp h SER 51 Cb 1.20 0.46 -0.03 0.00 -0.31 0.00 0.00 62.40 63.72 3dwp h SER 51 CO 0.60 -0.30 -1.67 0.55 -0.87 0.00 0.00 176.83 175.13 3dwp n VAL 52 N -5.41 1.51 -0.10 0.95 3.14 -1.26 -4.64 118.33 112.52 3dwp n VAL 52 Ca 0.01 -0.10 0.10 0.00 -2.96 0.00 0.00 64.34 61.39 3dwp n VAL 52 Cb 0.33 -2.11 0.29 0.00 -1.06 0.00 0.00 33.84 31.28 3dwp n VAL 52 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 3dwp n TRP 53 N -4.38 0.92 0.23 1.45 7.02 -1.26 -4.45 117.44 116.97 3dwp n TRP 53 Ca -0.33 -0.45 0.08 0.00 -1.02 0.00 0.00 57.50 55.78 3dwp n TRP 53 Cb 0.68 -0.02 0.55 0.00 -2.42 0.00 0.00 31.31 30.10 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 4.56 0.00 2.00 6.99 0.00 -1.70 -2.91 103.07 112.01 3dwp h GLY 54 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3dwp h GLY 54 CO 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.48 3dwp h ALA 55 N 1.79 1.30 -0.49 3.60 0.00 -1.82 -2.83 119.26 120.82 3dwp h ALA 55 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dwp h ALA 55 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dwp h ALA 55 CO 0.03 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3dwp n SER 56 N -3.63 3.57 -0.24 0.00 3.41 -1.10 -4.65 113.62 110.98 3dwp n SER 56 Ca -0.02 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.56 3dwp n SER 56 Cb 0.20 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 3dwp n SER 56 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dwp h PHE 57 N 4.26 -0.99 0.00 7.33 3.57 -1.64 0.23 116.94 129.70 3dwp h PHE 57 Ca 0.00 0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 3dwp h PHE 57 Cb 0.97 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 3dwp h PHE 57 CO 0.32 -0.39 -1.06 0.66 -2.23 0.00 0.00 178.31 175.60 3dwp h SER 58 N -0.14 0.00 -0.07 0.41 4.64 -1.85 0.81 113.55 117.35 3dwp h SER 58 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3dwp h SER 58 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3dwp h SER 58 CO -0.74 0.99 -0.01 0.74 -0.87 0.00 0.00 176.83 176.94 3dwp h THR 59 N 0.00 1.26 -0.40 2.95 2.02 -1.87 -2.18 112.91 114.70 3dwp h THR 59 Ca -0.04 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3dwp h THR 59 Cb 1.79 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 3dwp h THR 59 CO 0.12 0.23 0.04 -0.07 0.37 0.00 0.00 175.52 176.22 3dwp h LEU 60 N -0.17 0.57 0.13 2.58 3.38 -0.88 -1.81 115.31 119.11 3dwp h LEU 60 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3dwp h LEU 60 Cb 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dwp h LEU 60 CO 0.00 0.61 -0.06 0.22 0.09 0.00 0.00 178.44 179.31 3dwp h TYR 61 N 0.59 -0.16 -0.02 1.13 3.20 -0.81 0.60 116.97 121.50 3dwp h TYR 61 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3dwp h TYR 61 Cb 0.31 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3dwp h TYR 61 CO 0.01 -0.03 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.55 3dwp h ASN 62 N -0.25 -0.13 -0.58 -2.11 2.35 -1.33 -1.68 115.58 111.85 3dwp h ASN 62 Ca -0.02 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3dwp h ASN 62 Cb 0.20 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3dwp h ASN 62 CO 0.03 -0.06 0.24 -0.61 -1.65 0.00 0.00 177.43 175.37 3dwp h GLN 63 N -0.07 0.87 -0.32 0.81 5.75 -1.24 -1.75 115.11 119.16 3dwp h GLN 63 Ca 0.03 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.23 3dwp h GLN 63 Cb 0.10 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 3dwp h GLN 63 CO -0.06 0.74 -0.35 0.00 -2.65 0.00 0.00 178.83 176.51 3dwp h ALA 64 N 1.08 0.78 -0.37 3.38 0.00 -0.77 -0.39 119.26 122.98 3dwp h ALA 64 Ca 0.19 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3dwp h ALA 64 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dwp h ALA 64 CO -0.02 0.65 -0.39 1.25 0.00 0.00 0.00 179.25 180.74 3dwp h LEU 65 N 0.60 0.97 -0.23 0.00 5.85 -1.27 0.18 115.31 121.42 3dwp h LEU 65 Ca 0.06 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3dwp h LEU 65 Cb 0.88 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3dwp h LEU 65 CO 0.08 1.24 -0.06 0.22 -0.34 0.00 0.00 178.44 179.58 3dwp h TYR 66 N 0.74 -0.13 -0.35 1.25 3.20 -1.09 -0.68 116.97 119.91 3dwp h TYR 66 Ca 0.06 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3dwp h TYR 66 Cb 0.98 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3dwp h TYR 66 CO 0.06 -0.10 -0.20 0.74 -1.64 0.00 0.00 178.16 177.02 3dwp h PHE 67 N -0.01 0.74 -0.76 -3.82 0.04 -0.86 -2.00 116.94 110.28 3dwp h PHE 67 Ca 0.11 -0.15 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3dwp h PHE 67 Cb 0.17 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 3dwp h PHE 67 CO -0.24 0.81 0.45 -0.92 -0.60 0.00 0.00 178.31 177.81 3dwp h TYR 68 N 0.59 0.82 -0.07 -0.55 3.20 -0.51 -0.88 116.97 119.57 3dwp h TYR 68 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3dwp h TYR 68 Cb 0.66 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3dwp h TYR 68 CO 0.03 0.40 0.00 1.15 -1.64 0.00 0.00 178.16 178.10 3dwp h THR 69 N 0.82 1.25 0.00 1.81 2.02 -0.71 -3.23 112.91 114.86 3dwp h THR 69 Ca 0.34 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 3dwp h THR 69 Cb 0.19 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3dwp h THR 69 CO -0.18 0.22 -0.58 0.71 0.37 0.00 0.00 175.52 176.06 3dwp h THR 70 N -0.15 1.36 -0.26 3.16 1.35 -1.41 -3.47 112.91 113.49 3dwp h THR 70 Ca 0.02 -2.02 -0.11 0.00 -0.55 0.00 0.00 66.41 63.75 3dwp h THR 70 Cb 0.34 2.10 -0.04 0.00 -1.73 0.00 0.00 68.15 68.82 3dwp h THR 70 CO 0.00 0.57 -0.10 0.61 -0.25 0.00 0.00 175.52 176.35 3dwp n GLY 71 N 0.23 0.78 3.80 5.82 0.00 -0.34 -5.01 105.19 110.47 3dwp n GLY 71 Ca -0.01 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.07 3.91 0.07 1.61 -2.07 -1.25 -4.86 119.66 114.99 3dwp s GLN 72 Ca 0.00 1.34 -0.31 0.00 -1.82 0.00 0.00 55.36 54.57 3dwp s GLN 72 Cb 0.00 -2.15 -0.06 0.00 -1.09 0.00 0.00 33.01 29.70 3dwp s GLN 72 CO 0.00 -0.34 1.31 -2.14 -1.32 0.00 0.00 175.29 172.80 3dwp s PRO 73 N -3.15 4.36 0.27 9.60 0.02 -1.26 -4.51 135.00 140.34 3dwp s PRO 73 Ca 0.65 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3dwp s PRO 73 Cb -0.16 -3.36 -0.05 0.00 0.02 0.00 0.00 34.50 30.96 3dwp s PRO 73 CO 0.20 -0.39 0.10 0.14 -0.33 0.00 0.00 177.00 176.72 3dwp s VAL 74 N 1.35 0.59 -0.15 3.83 -7.23 0.76 -3.51 120.40 116.04 3dwp s VAL 74 Ca 0.62 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 3dwp s VAL 74 Cb -0.32 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 3dwp s VAL 74 CO 0.29 0.00 0.21 -0.60 -0.31 0.00 0.00 175.10 174.68 3dwp s ARG 75 N -4.00 3.97 -0.31 4.82 3.52 0.19 -0.00 118.95 127.14 3dwp s ARG 75 Ca 0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.84 3dwp s ARG 75 Cb 0.08 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3dwp s ARG 75 CO 0.14 0.45 0.14 0.42 -0.81 0.00 0.00 175.30 175.65 3dwp s ILE 76 N -0.13 4.51 -0.10 4.11 1.09 -0.45 -2.13 121.20 128.09 3dwp s ILE 76 Ca 0.14 -0.46 -0.20 0.00 -1.10 0.00 0.00 60.65 59.03 3dwp s ILE 76 Cb -0.12 -3.31 -0.04 0.00 -1.06 0.00 0.00 42.46 37.93 3dwp s ILE 76 CO 0.03 0.07 0.58 -0.31 -0.10 0.00 0.00 174.94 175.20 3dwp s TYR 77 N 1.60 3.53 0.12 3.97 2.02 -0.64 -1.98 117.35 125.96 3dwp s TYR 77 Ca 0.04 1.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 3dwp s TYR 77 Cb -0.17 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3dwp s TYR 77 CO 0.06 0.11 -0.04 1.52 -1.57 0.00 0.00 175.55 175.63 3dwp s TYR 78 N 0.79 0.96 -0.19 2.71 -0.85 -0.62 -0.29 117.35 119.86 3dwp s TYR 78 Ca 0.31 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 3dwp s TYR 78 Cb -0.16 -0.56 0.04 0.00 0.38 0.00 0.00 41.96 41.67 3dwp s TYR 78 CO 0.13 -0.19 -0.08 -2.00 -1.52 0.00 0.00 175.55 171.89 3dwp s GLU 79 N -3.87 1.73 0.56 -3.49 2.12 -0.18 -0.87 118.70 114.70 3dwp s GLU 79 Ca 0.16 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 54.57 3dwp s GLU 79 Cb 0.06 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 3dwp s GLU 79 CO -0.02 -0.45 1.18 -1.25 -0.54 0.00 0.00 175.26 174.18 3dwp s PRO 80 N 1.50 3.19 0.00 4.30 0.04 -1.26 -0.97 135.00 141.79 3dwp s PRO 80 Ca -0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3dwp s PRO 80 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3dwp s PRO 80 CO -0.08 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.36 3dwp n GLY 81 N 0.38 0.63 0.12 0.56 0.00 -1.20 -4.90 105.19 100.78 3dwp n GLY 81 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 1.46 -3.36 1.61 2.07 -1.39 -3.44 116.25 113.20 3dwp h VAL 82 Ca 0.00 -1.91 -0.56 0.00 0.82 0.00 0.00 66.70 65.05 3dwp h VAL 82 Cb 0.00 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3dwp h VAL 82 CO 0.00 0.54 0.08 0.26 0.02 0.00 0.00 177.57 178.47 3dwp s TRP 83 N -3.35 3.55 -0.01 1.57 0.52 -0.44 -4.95 118.94 115.82 3dwp s TRP 83 Ca -0.14 1.18 0.03 0.00 0.02 0.00 0.00 56.10 57.19 3dwp s TRP 83 Cb 0.03 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 3dwp s TRP 83 CO 0.78 0.06 0.06 0.25 0.02 0.00 0.00 176.95 178.13 3dwp n THR 84 N 3.87 0.00 -1.78 2.01 -2.24 -1.26 -4.59 114.28 110.29 3dwp n THR 84 Ca -0.02 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3dwp n THR 84 Cb 0.51 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.10 1.47 0.18 4.78 5.04 -1.26 -4.91 117.35 120.55 3dwp s TYR 85 Ca -0.01 0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.81 3dwp s TYR 85 Cb 0.02 -4.04 0.16 0.00 0.35 0.00 0.00 41.96 38.45 3dwp s TYR 85 CO 0.11 -4.06 1.76 -1.35 -1.34 0.00 0.00 175.55 170.68 3dwp h PRO 86 N 12.85 0.41 -0.75 4.97 0.11 -1.99 -2.13 132.00 145.46 3dwp h PRO 86 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dwp h PRO 86 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3dwp h PRO 86 CO 0.97 0.27 0.49 -1.35 -0.21 0.00 0.00 178.00 178.17 3dwp h PRO 87 N 0.42 1.00 -0.17 1.05 0.11 -1.99 0.03 132.00 132.45 3dwp h PRO 87 Ca 0.23 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3dwp h PRO 87 Cb 0.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3dwp h PRO 87 CO -0.21 0.67 0.11 0.35 -0.21 0.00 0.00 178.00 178.71 3dwp h PHE 88 N 1.03 0.20 -0.79 0.65 3.57 -1.87 -1.10 116.94 118.62 3dwp h PHE 88 Ca 0.27 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3dwp h PHE 88 Cb -0.10 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3dwp h PHE 88 CO 0.00 0.13 0.35 0.28 -2.23 0.00 0.00 178.31 176.84 3dwp h VAL 89 N 0.22 1.25 -0.37 1.41 2.07 -1.04 0.43 116.25 120.22 3dwp h VAL 89 Ca 0.06 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3dwp h VAL 89 Cb -0.02 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3dwp h VAL 89 CO -0.02 0.31 -0.05 0.50 0.02 0.00 0.00 177.57 178.33 3dwp h LYS 90 N 1.13 0.69 0.01 1.57 3.64 -0.88 -3.09 116.57 119.64 3dwp h LYS 90 Ca 0.27 -0.25 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 3dwp h LYS 90 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3dwp h LYS 90 CO -0.03 0.83 -0.88 0.00 -2.27 0.00 0.00 179.45 177.09 3dwp h ALA 91 N 0.84 0.54 -3.00 5.00 0.00 -1.01 -3.45 119.26 118.18 3dwp h ALA 91 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3dwp h ALA 91 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dwp h ALA 91 CO 0.03 1.02 0.00 1.28 0.00 0.00 0.00 179.25 181.58 3dwp n LEU 92 N -3.56 0.00 -3.56 0.00 4.77 0.12 -5.10 117.00 109.67 3dwp n LEU 92 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3dwp n LEU 92 Cb 0.83 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.90 3dwp n LEU 92 CO 0.46 0.00 0.85 0.28 -1.33 0.00 0.00 177.39 177.65 3dwp s THR 93 N 0.20 0.00 -0.63 -5.08 -1.32 -1.17 -4.95 115.64 102.69 3dwp s THR 93 Ca 0.00 -0.05 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 3dwp s THR 93 Cb 0.00 -1.12 0.10 0.00 -1.51 0.00 0.00 72.50 69.97 3dwp s THR 93 CO 0.00 0.00 1.40 0.77 -2.21 0.00 0.00 174.62 174.58 3dwp h SER 94 N 2.00 0.00 -2.83 8.08 4.64 -1.81 -3.39 113.55 120.23 3dwp h SER 94 Ca -0.17 -0.16 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 3dwp h SER 94 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3dwp h SER 94 CO 0.27 0.08 0.89 0.20 -0.87 0.00 0.00 176.83 177.40 3dwp s ASN 95 N -4.41 6.77 0.12 4.97 0.01 -1.26 -1.33 114.94 119.80 3dwp s ASN 95 Ca 0.07 2.24 -0.28 0.00 -0.71 0.00 0.00 52.86 54.18 3dwp s ASN 95 Cb 0.13 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.16 3dwp s ASN 95 CO 0.70 -0.78 0.87 0.00 -1.51 0.00 0.00 177.10 176.38 3dwp s ALA 96 N 2.46 3.33 -0.04 0.60 0.00 -0.15 -1.10 121.76 126.88 3dwp s ALA 96 Ca 0.67 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.82 3dwp s ALA 96 Cb -0.34 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3dwp s ALA 96 CO 0.28 0.10 0.90 -1.17 0.00 0.00 0.00 175.76 175.87 3dwp s LEU 97 N -0.42 4.33 0.00 0.00 2.96 0.61 -1.01 118.68 125.15 3dwp s LEU 97 Ca 0.42 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 3dwp s LEU 97 Cb -0.23 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3dwp s LEU 97 CO 0.28 -0.25 0.00 0.52 -1.32 0.00 0.00 176.35 175.58 3dwp n VAL 98 N 3.98 0.00 0.00 1.68 0.31 0.60 -4.69 118.33 120.20 3dwp n VAL 98 Ca 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3dwp n VAL 98 Cb 0.51 0.82 0.00 0.00 -0.91 0.00 0.00 33.84 34.26 3dwp n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dwp n GLY 99 N 1.05 1.28 3.09 2.92 0.00 -1.17 -4.64 105.19 107.72 3dwp n GLY 99 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 1.39 -0.01 0.99 1.43 -1.26 -1.62 118.68 119.60 3dwp s LEU 100 Ca 0.00 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3dwp s LEU 100 Cb 0.00 0.68 0.00 0.00 0.03 0.00 0.00 46.19 46.90 3dwp s LEU 100 CO 0.00 -0.22 0.08 -0.44 0.23 0.00 0.00 176.35 176.00 3dwp s SER 101 N -0.64 0.01 0.66 2.29 0.01 -0.91 -4.97 113.70 110.15 3dwp s SER 101 Ca -0.07 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 56.97 3dwp s SER 101 Cb -0.04 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.36 3dwp s SER 101 CO 0.01 -0.18 1.13 0.42 0.41 0.00 0.00 173.24 175.03 3dwp s THR 102 N -0.65 3.03 0.07 1.44 -4.23 -1.26 -0.64 115.64 113.40 3dwp s THR 102 Ca -0.07 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.03 3dwp s THR 102 Cb -0.04 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3dwp s THR 102 CO 0.00 -0.27 -0.22 0.00 -0.54 0.00 0.00 174.62 173.59 3dwp n THR 104 N 1.55 1.50 -4.35 0.00 -2.24 0.52 -4.96 114.28 106.30 3dwp n THR 104 Ca -0.18 -0.81 -0.21 0.00 -2.27 0.00 0.00 64.05 60.59 3dwp n THR 104 Cb 0.53 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 3dwp n THR 104 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dwp s THR 105 N -2.54 0.16 0.03 4.28 -4.23 -0.73 -4.99 115.64 107.63 3dwp s THR 105 Ca -0.10 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.72 3dwp s THR 105 Cb 0.07 -2.45 0.32 0.00 1.34 0.00 0.00 72.50 71.78 3dwp s THR 105 CO 0.81 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 177.59 3dwp h SER 106 N 2.06 0.00 0.00 3.99 4.64 -1.94 -3.20 113.55 119.10 3dwp h SER 106 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3dwp h SER 106 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dwp h SER 106 CO 0.43 0.00 -0.99 0.35 -0.87 0.00 0.00 176.83 175.75 3dwp n THR 107 N -2.64 0.00 -3.77 2.95 -2.24 -1.26 -2.78 114.28 104.54 3dwp n THR 107 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 3dwp n THR 107 Cb 0.14 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.99 3.92 0.06 -0.78 8.01 -1.21 -4.91 118.70 121.79 3dwp s GLU 108 Ca 0.00 -0.35 0.00 0.00 0.01 0.00 0.00 54.97 54.63 3dwp s GLU 108 Cb 0.00 -3.41 -0.04 0.00 -4.31 0.00 0.00 34.13 26.37 3dwp s GLU 108 CO 0.00 0.02 -0.05 0.00 0.01 0.00 0.00 175.26 175.24 3dwp s PHE 110 N -3.20 2.57 0.00 0.00 5.36 -0.49 -4.87 117.98 117.35 3dwp s PHE 110 Ca 0.03 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 3dwp s PHE 110 Cb 0.03 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3dwp s PHE 110 CO -0.06 -3.20 0.00 0.41 -1.46 0.00 0.00 175.22 170.91 3dwp n GLY 111 N 3.85 0.03 3.78 13.12 0.00 -1.26 -4.72 105.19 119.98 3dwp n GLY 111 Ca 0.15 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 2.39 0.31 1.61 0.04 -1.26 -5.03 135.00 133.05 3dwp s PRO 112 Ca 0.00 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 3dwp s PRO 112 Cb 0.00 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 3dwp s PRO 112 CO 0.00 -1.54 0.88 -0.51 0.04 0.00 0.00 177.00 175.87 3dwp s ASP 113 N -3.40 7.21 -0.42 6.66 1.01 -1.26 -4.97 116.67 121.50 3dwp s ASP 113 Ca 0.61 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 55.54 3dwp s ASP 113 Cb -0.17 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.35 3dwp s ASP 113 CO 0.55 -0.07 0.20 -0.60 0.21 0.00 0.00 175.17 175.46 3dwp s ARG 114 N -2.17 1.97 -0.06 8.23 3.52 -1.26 -4.58 118.95 124.61 3dwp s ARG 114 Ca 0.49 -1.88 -0.02 0.00 -0.13 0.00 0.00 55.73 54.19 3dwp s ARG 114 Cb -0.17 -3.55 0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3dwp s ARG 114 CO 0.22 -1.07 0.12 0.21 -0.81 0.00 0.00 175.30 173.97 3dwp s LYS 115 N 1.02 0.02 0.00 5.12 2.20 -0.93 -3.66 119.74 123.51 3dwp s LYS 115 Ca 0.09 0.41 0.23 0.00 -0.36 0.00 0.00 55.97 56.34 3dwp s LYS 115 Cb -0.22 -0.28 1.37 0.00 -1.51 0.00 0.00 37.83 37.18 3dwp s LYS 115 CO -0.05 -0.24 1.74 1.17 -0.36 0.00 0.00 175.35 177.61