#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 -0.66 0.34 -1.84 -0.00 -1.26 -5.02 118.94 110.50 3dwp s TRP 2 Ca 0.00 1.58 0.14 0.00 -0.00 0.00 0.00 56.10 57.82 3dwp s TRP 2 Cb 0.00 0.24 1.12 0.00 -0.00 0.00 0.00 33.47 34.83 3dwp s TRP 2 CO 0.00 -0.34 1.60 1.15 -0.00 0.00 0.00 176.95 179.36 3dwp h THR 3 N 4.11 0.08 -0.28 5.86 2.02 -2.00 -0.65 112.91 122.05 3dwp h THR 3 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3dwp h THR 3 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3dwp h THR 3 CO 0.14 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3dwp n GLY 4 N -1.33 2.07 3.75 2.16 0.00 -1.26 -4.66 105.19 105.91 3dwp n GLY 4 Ca 0.32 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.43 5.07 -1.19 1.61 1.01 -0.25 -4.75 116.67 117.74 3dwp s ASP 5 Ca 0.26 2.54 -0.17 0.00 0.71 0.00 0.00 52.55 55.89 3dwp s ASP 5 Cb 0.19 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3dwp s ASP 5 CO 0.08 -1.69 2.10 0.00 0.21 0.00 0.00 175.17 175.88 3dwp n ALA 6 N -1.51 4.63 -2.35 5.23 0.00 -1.26 -4.17 120.51 121.07 3dwp n ALA 6 Ca 0.13 -3.66 -0.11 0.00 0.00 0.00 0.00 53.44 49.81 3dwp n ALA 6 Cb 0.48 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.26 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 3.94 1.17 0.16 0.00 0.52 -1.04 -3.94 118.95 119.76 3dwp s ARG 7 Ca 0.51 -1.50 -0.31 0.00 -0.52 0.00 0.00 55.73 53.92 3dwp s ARG 7 Cb 0.14 0.30 -0.09 0.00 0.52 0.00 0.00 34.95 35.82 3dwp s ARG 7 CO -0.01 -0.39 1.39 -0.51 0.02 0.00 0.00 175.30 175.80 3dwp s ASP 8 N -3.10 6.80 0.04 0.23 1.01 -1.26 -2.61 116.67 117.78 3dwp s ASP 8 Ca 0.32 2.42 -0.05 0.00 0.71 0.00 0.00 52.55 55.95 3dwp s ASP 8 Cb 0.06 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.41 3dwp s ASP 8 CO 0.08 -0.63 0.23 0.61 0.21 0.00 0.00 175.17 175.67 3dwp n GLY 9 N 2.97 1.14 3.11 0.21 0.00 0.09 -4.37 105.19 108.33 3dwp n GLY 9 Ca 0.09 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.01 0.44 -0.07 1.61 0.23 -1.20 -1.31 119.30 116.99 3dwp s MET 10 Ca 0.05 -0.26 0.05 0.00 -1.03 0.00 0.00 55.69 54.50 3dwp s MET 10 Cb -0.01 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3dwp s MET 10 CO 0.01 -0.10 -0.24 -0.06 -2.03 0.00 0.00 175.02 172.60 3dwp s PHE 11 N -1.09 2.43 0.24 3.16 2.99 -0.05 -5.00 117.98 120.65 3dwp s PHE 11 Ca -0.12 -0.82 0.08 0.00 0.00 0.00 0.00 56.93 56.07 3dwp s PHE 11 Cb -0.06 -1.60 -0.04 0.00 0.00 0.00 0.00 43.02 41.31 3dwp s PHE 11 CO 0.01 -0.28 0.09 -1.12 -0.00 0.00 0.00 175.22 173.92 3dwp s SER 12 N 0.03 5.05 -1.50 1.36 0.01 -1.26 -0.61 113.70 116.78 3dwp s SER 12 Ca -0.09 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 56.70 3dwp s SER 12 Cb -0.15 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 64.95 3dwp s SER 12 CO 0.05 0.01 0.76 0.61 0.41 0.00 0.00 173.24 175.09 3dwp n GLY 13 N -0.83 -0.53 3.86 3.44 0.00 -0.98 -4.83 105.19 105.32 3dwp n GLY 13 Ca -0.08 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3dwp n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dwp s VAL 14 N -3.21 5.19 -0.22 1.61 -7.23 0.51 -4.23 120.40 112.81 3dwp s VAL 14 Ca 0.39 0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 60.98 3dwp s VAL 14 Cb -0.18 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 3dwp s VAL 14 CO 0.49 0.51 0.23 -0.69 -0.31 0.00 0.00 175.10 175.33 3dwp s VAL 15 N -1.15 5.32 -0.26 1.32 1.01 -0.89 0.49 120.40 126.24 3dwp s VAL 15 Ca 0.24 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 3dwp s VAL 15 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3dwp s VAL 15 CO 0.12 0.33 1.51 -0.63 0.00 0.00 0.00 175.10 176.43 3dwp s ILE 16 N 1.07 3.84 -0.04 2.22 1.01 -1.26 -2.61 121.20 125.43 3dwp s ILE 16 Ca 0.11 0.94 0.08 0.00 0.00 0.00 0.00 60.65 61.78 3dwp s ILE 16 Cb -0.14 -3.88 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 3dwp s ILE 16 CO 0.05 -0.38 0.13 0.35 0.00 0.00 0.00 174.94 175.09 3dwp n THR 17 N 6.42 0.22 -4.22 2.92 -2.24 0.35 -4.64 114.28 113.09 3dwp n THR 17 Ca 0.17 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 3dwp n THR 17 Cb 0.46 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.84 -0.06 -0.78 -0.21 -0.82 -4.97 119.66 111.20 3dwp s GLN 18 Ca -0.04 -0.88 -0.03 0.00 0.02 0.00 0.00 55.36 54.43 3dwp s GLN 18 Cb 0.04 -0.84 0.04 0.00 1.00 0.00 0.00 33.01 33.25 3dwp s GLN 18 CO 0.36 0.19 0.14 0.12 -2.12 0.00 0.00 175.29 173.98 3dwp s PHE 19 N -1.14 -0.16 -0.01 0.91 5.36 -1.26 -1.43 117.98 120.26 3dwp s PHE 19 Ca -0.01 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.43 3dwp s PHE 19 Cb -0.09 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 3dwp s PHE 19 CO 0.02 -0.15 -0.04 -1.58 -1.46 0.00 0.00 175.22 172.00 3dwp s HIS 20 N 1.03 0.43 -0.03 10.12 5.65 -0.33 -4.98 115.29 127.18 3dwp s HIS 20 Ca -0.08 -0.08 0.04 0.00 0.25 0.00 0.00 55.06 55.19 3dwp s HIS 20 Cb -0.10 -0.31 -0.00 0.00 -1.18 0.00 0.00 32.58 30.98 3dwp s HIS 20 CO -0.05 -0.03 -0.15 -0.08 -0.65 0.00 0.00 174.74 173.78 3dwp s THR 21 N 0.08 1.25 0.00 0.89 -1.32 -1.26 -0.28 115.64 115.00 3dwp s THR 21 Ca -0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 3dwp s THR 21 Cb -0.04 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3dwp s THR 21 CO -0.00 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 3dwp n GLY 22 N 3.09 3.63 2.98 6.08 0.00 -0.77 -5.01 105.19 115.19 3dwp n GLY 22 Ca -0.17 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.53 0.34 -0.11 1.61 0.74 -1.26 -1.87 119.66 118.58 3dwp s GLN 23 Ca 0.00 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 54.94 3dwp s GLN 23 Cb 0.00 -0.17 0.05 0.00 1.10 0.00 0.00 33.01 33.99 3dwp s GLN 23 CO 0.00 0.03 0.25 -1.50 -0.55 0.00 0.00 175.29 173.53 3dwp s ILE 24 N -0.77 -0.15 -1.28 -2.34 2.07 -0.21 -4.94 121.20 113.57 3dwp s ILE 24 Ca -0.06 0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.27 3dwp s ILE 24 Cb -0.06 -0.40 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 3dwp s ILE 24 CO -0.00 0.08 0.60 -0.67 -1.91 0.00 0.00 174.94 173.04 3dwp n ASP 25 N 4.56 -2.49 0.00 4.50 2.03 -1.26 -1.26 116.55 122.63 3dwp n ASP 25 Ca -0.20 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.11 3dwp n ASP 25 Cb 0.52 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.67 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 -2.85 -4.38 -4.20 1.67 5.15 -1.26 -4.99 115.26 104.40 3dwp n ASN 26 Ca -0.22 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.42 3dwp n ASN 26 Cb 0.64 -2.41 -0.15 0.00 -0.53 0.00 0.00 39.78 37.34 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 -1.26 3.11 0.48 1.20 -0.14 -0.39 -5.09 119.74 117.65 3dwp s LYS 27 Ca 0.00 -0.77 -0.24 0.00 -1.36 0.00 0.00 55.97 53.60 3dwp s LYS 27 Cb 0.00 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.28 3dwp s LYS 27 CO 0.00 -0.23 1.31 -2.14 -0.76 0.00 0.00 175.35 173.53 3dwp s PRO 28 N 1.37 3.57 0.19 -1.68 0.02 -1.26 -1.05 135.00 136.15 3dwp s PRO 28 Ca 0.04 2.15 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 3dwp s PRO 28 Cb -0.14 -2.48 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 3dwp s PRO 28 CO -0.08 -0.82 0.24 1.52 -0.33 0.00 0.00 177.00 177.54 3dwp s TYR 29 N -1.33 0.68 0.05 6.54 -0.85 -0.78 -0.54 117.35 121.12 3dwp s TYR 29 Ca 0.64 -1.00 -0.03 0.00 -0.52 0.00 0.00 57.07 56.16 3dwp s TYR 29 Cb -0.38 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 41.72 3dwp s TYR 29 CO 0.47 -0.72 0.04 -0.59 -1.52 0.00 0.00 175.55 173.22 3dwp s PHE 30 N -4.04 0.35 0.05 -3.49 -0.12 -0.37 -1.84 117.98 108.50 3dwp s PHE 30 Ca 0.25 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3dwp s PHE 30 Cb 0.04 -0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 3dwp s PHE 30 CO 0.05 -0.38 -0.09 0.00 -0.05 0.00 0.00 175.22 174.76 3dwp s ILE 32 N -1.35 1.46 0.00 0.00 -4.36 -0.60 -1.18 121.20 115.17 3dwp s ILE 32 Ca -0.09 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 3dwp s ILE 32 Cb -0.10 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 3dwp s ILE 32 CO 0.01 -0.46 -0.12 -0.70 0.24 0.00 0.00 174.94 173.90 3dwp s GLU 33 N -2.96 0.94 0.01 0.37 -6.30 -0.51 -2.35 118.70 107.90 3dwp s GLU 33 Ca 0.13 -0.49 -0.05 0.00 -2.50 0.00 0.00 54.97 52.06 3dwp s GLU 33 Cb -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 34.13 33.17 3dwp s GLU 33 CO 0.04 0.25 0.09 0.20 0.02 0.00 0.00 175.26 175.85 3dwp s GLY 34 N -0.46 0.12 0.03 -1.50 0.00 -0.47 -0.49 107.32 104.55 3dwp s GLY 34 Ca 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.47 3dwp s GLY 34 CO -0.00 -0.47 -0.12 0.54 0.00 0.00 0.00 173.10 173.05 3dwp s LYS 35 N -1.68 2.29 0.82 2.90 -0.14 -1.07 -1.33 119.74 121.54 3dwp s LYS 35 Ca -0.13 -0.87 -0.12 0.00 -1.36 0.00 0.00 55.97 53.49 3dwp s LYS 35 Cb -0.07 -2.34 0.09 0.00 -1.68 0.00 0.00 37.83 33.83 3dwp s LYS 35 CO -0.00 0.56 1.17 -0.65 -0.76 0.00 0.00 175.35 175.67 3dwp s GLN 36 N -1.49 1.85 0.28 1.68 -0.21 0.87 -2.10 119.66 120.54 3dwp s GLN 36 Ca 0.16 0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.70 3dwp s GLN 36 Cb -0.11 -1.93 0.57 0.00 1.00 0.00 0.00 33.01 32.54 3dwp s GLN 36 CO 0.07 -1.68 1.82 0.77 -2.12 0.00 0.00 175.29 174.15 3dwp h SER 37 N -1.12 0.87 0.21 5.90 0.02 -1.90 -1.13 113.55 116.40 3dwp h SER 37 Ca -0.47 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3dwp h SER 37 Cb 1.33 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3dwp h SER 37 CO 0.65 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.78 3dwp n ALA 38 N -2.35 2.39 0.00 3.77 0.00 -1.26 -4.90 120.51 118.16 3dwp n ALA 38 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3dwp n ALA 38 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.75 0.58 3.73 0.00 0.00 -0.43 -5.07 105.19 104.75 3dwp n GLY 39 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.86 -4.68 1.61 7.64 -1.26 -4.70 113.62 116.08 3dwp n SER 40 Ca 0.00 1.12 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 3dwp n SER 40 Cb 0.00 -1.58 -0.08 0.00 -1.01 0.00 0.00 64.21 61.54 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 0.70 5.01 -0.04 6.43 0.15 -1.26 -0.09 113.70 124.60 3dwp s SER 41 Ca 0.68 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.16 3dwp s SER 41 Cb -0.51 -1.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 3dwp s SER 41 CO 0.44 0.20 0.09 -0.51 1.20 0.00 0.00 173.24 174.66 3dwp s ILE 42 N -1.25 -0.03 0.08 6.45 1.10 -0.44 -5.00 121.20 122.11 3dwp s ILE 42 Ca 0.24 0.11 0.09 0.00 -0.51 0.00 0.00 60.65 60.58 3dwp s ILE 42 Cb -0.12 -0.15 -0.03 0.00 0.15 0.00 0.00 42.46 42.31 3dwp s ILE 42 CO 0.16 0.04 -0.24 -0.44 -2.11 0.00 0.00 174.94 172.36 3dwp s SER 43 N 0.66 3.43 -0.21 4.50 0.01 -1.26 -1.37 113.70 119.46 3dwp s SER 43 Ca -0.05 -0.61 -0.22 0.00 1.31 0.00 0.00 55.95 56.38 3dwp s SER 43 Cb -0.07 -0.36 0.06 0.00 0.21 0.00 0.00 66.02 65.86 3dwp s SER 43 CO -0.03 0.22 0.62 0.00 0.41 0.00 0.00 173.24 174.46 3dwp s ALA 44 N -0.95 -1.54 0.17 1.44 0.00 -0.99 -4.65 121.76 115.24 3dwp s ALA 44 Ca 0.14 1.68 0.11 0.00 0.00 0.00 0.00 51.96 53.89 3dwp s ALA 44 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3dwp s ALA 44 CO 0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 175.76 175.29 3dwp s SER 46 N -2.50 2.19 -0.07 0.00 0.15 0.04 -0.18 113.70 113.34 3dwp s SER 46 Ca 0.20 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3dwp s SER 46 Cb -0.09 -0.99 -0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3dwp s SER 46 CO 0.10 0.08 -0.21 -0.32 1.20 0.00 0.00 173.24 174.09 3dwp s MET 47 N 0.53 2.34 0.10 5.44 0.00 -1.26 -1.24 119.30 125.21 3dwp s MET 47 Ca -0.15 -0.74 -0.31 0.00 0.00 0.00 0.00 55.69 54.48 3dwp s MET 47 Cb -0.16 -1.91 -0.08 0.00 0.00 0.00 0.00 34.83 32.67 3dwp s MET 47 CO 0.05 0.24 1.49 0.21 0.00 0.00 0.00 175.02 177.01 3dwp s LYS 48 N 0.15 4.26 -1.68 4.11 2.20 0.30 -2.69 119.74 126.38 3dwp s LYS 48 Ca -0.09 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 3dwp s LYS 48 Cb -0.15 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3dwp s LYS 48 CO 0.05 -0.57 0.00 0.09 -0.36 0.00 0.00 175.35 174.56 3dwp n ASN 49 N 4.58 -5.01 -3.86 1.43 5.03 -1.22 -4.68 115.26 111.53 3dwp n ASN 49 Ca 0.13 0.28 -0.22 0.00 0.87 0.00 0.00 54.58 55.65 3dwp n ASN 49 Cb 0.41 -4.03 -0.17 0.00 -1.02 0.00 0.00 39.78 34.98 3dwp n ASN 49 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3dwp s SER 50 N -2.64 1.28 0.00 6.41 0.01 -1.10 -4.93 113.70 112.74 3dwp s SER 50 Ca 0.00 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3dwp s SER 50 Cb 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3dwp s SER 50 CO 0.00 -0.10 0.00 -1.54 0.41 0.00 0.00 173.24 172.01 3dwp n SER 51 N 4.48 0.00 -0.01 2.44 3.41 -1.26 -2.69 113.62 119.99 3dwp n SER 51 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 3dwp n SER 51 Cb 0.50 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.71 3dwp n SER 51 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3dwp h VAL 52 N 0.00 1.22 -0.11 -3.33 -1.51 -1.99 -3.30 116.25 107.22 3dwp h VAL 52 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3dwp h VAL 52 Cb 0.00 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3dwp h VAL 52 CO 0.00 0.31 0.00 0.79 -1.23 0.00 0.00 177.57 177.44 3dwp n TRP 53 N -4.24 0.14 0.27 5.19 7.02 -1.26 -4.13 117.44 120.43 3dwp n TRP 53 Ca 0.01 -0.07 0.15 0.00 -1.02 0.00 0.00 57.50 56.57 3dwp n TRP 53 Cb 0.29 0.00 0.86 0.00 -2.42 0.00 0.00 31.31 30.04 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 5.13 0.00 2.00 6.99 0.00 -1.60 -2.86 103.07 112.73 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 1.94 1.00 -0.00 3.60 0.00 -1.88 -3.03 119.26 120.88 3dwp h ALA 55 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dwp h ALA 55 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dwp h ALA 55 CO -0.00 0.00 -0.52 0.43 0.00 0.00 0.00 179.25 179.16 3dwp n SER 56 N -3.04 0.95 -0.23 0.00 7.64 -1.08 -4.68 113.62 113.18 3dwp n SER 56 Ca 0.01 -0.75 -0.09 0.00 1.01 0.00 0.00 58.87 59.05 3dwp n SER 56 Cb 0.33 0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.68 -1.32 -0.49 1.43 3.57 -1.66 -0.17 116.94 118.97 3dwp h PHE 57 Ca 0.00 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3dwp h PHE 57 Cb 0.54 0.65 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3dwp h PHE 57 CO 0.00 -0.30 0.24 0.77 -2.23 0.00 0.00 178.31 176.79 3dwp h SER 58 N -0.10 0.33 -0.37 0.41 0.02 -1.86 0.43 113.55 112.41 3dwp h SER 58 Ca 0.09 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3dwp h SER 58 Cb 0.34 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3dwp h SER 58 CO -0.59 0.23 0.14 0.74 -1.14 0.00 0.00 176.83 176.20 3dwp h THR 59 N 0.46 1.19 -0.46 -2.27 2.02 -1.80 -2.41 112.91 109.65 3dwp h THR 59 Ca 0.22 -0.61 -0.13 0.00 0.77 0.00 0.00 66.41 66.66 3dwp h THR 59 Cb 0.14 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3dwp h THR 59 CO -0.16 0.21 -0.24 -0.07 0.37 0.00 0.00 175.52 175.63 3dwp h LEU 60 N 0.44 0.99 0.19 2.58 3.38 -0.85 -1.52 115.31 120.53 3dwp h LEU 60 Ca 0.12 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dwp h LEU 60 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3dwp h LEU 60 CO -0.01 1.17 -0.17 0.22 0.09 0.00 0.00 178.44 179.75 3dwp h TYR 61 N 0.83 -0.44 -0.53 1.13 3.20 -0.89 0.16 116.97 120.42 3dwp h TYR 61 Ca 0.10 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.07 3dwp h TYR 61 Cb 0.81 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 3dwp h TYR 61 CO 0.05 -0.26 0.11 -0.91 -1.64 0.00 0.00 178.16 175.51 3dwp h ASN 62 N -0.38 -0.01 0.10 -2.11 2.35 -1.42 -0.97 115.58 113.14 3dwp h ASN 62 Ca -0.00 0.10 -0.27 0.00 -0.55 0.00 0.00 56.30 55.58 3dwp h ASN 62 Cb 0.35 0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.87 3dwp h ASN 62 CO -0.03 0.02 -1.07 -0.61 -1.65 0.00 0.00 177.43 174.09 3dwp h GLN 63 N 0.24 0.63 0.01 0.81 5.75 -1.09 -1.95 115.11 119.51 3dwp h GLN 63 Ca 0.27 -0.71 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3dwp h GLN 63 Cb 0.38 0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 3dwp h GLN 63 CO -0.35 1.29 -0.01 0.00 -2.65 0.00 0.00 178.83 177.11 3dwp h ALA 64 N 0.45 -0.02 -0.83 3.38 0.00 -0.65 -1.61 119.26 119.98 3dwp h ALA 64 Ca -0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3dwp h ALA 64 Cb 1.72 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 3dwp h ALA 64 CO 0.20 -0.52 0.44 1.25 0.00 0.00 0.00 179.25 180.63 3dwp h LEU 65 N -0.03 1.04 0.01 0.00 5.85 -1.21 0.78 115.31 121.75 3dwp h LEU 65 Ca 0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3dwp h LEU 65 Cb 0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3dwp h LEU 65 CO -0.00 0.84 -0.26 0.22 -0.34 0.00 0.00 178.44 178.90 3dwp h TYR 66 N 1.16 -0.70 -0.08 1.25 3.20 -1.24 -1.46 116.97 119.11 3dwp h TYR 66 Ca 0.29 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 3dwp h TYR 66 Cb 0.04 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3dwp h TYR 66 CO 0.01 -0.35 -0.45 0.74 -1.64 0.00 0.00 178.16 176.47 3dwp h PHE 67 N -0.41 0.22 -0.82 -3.82 0.04 -1.04 -1.65 116.94 109.45 3dwp h PHE 67 Ca 0.06 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3dwp h PHE 67 Cb 0.49 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 3dwp h PHE 67 CO -0.29 0.61 0.43 -0.92 -0.60 0.00 0.00 178.31 177.53 3dwp h TYR 68 N 0.15 1.15 0.16 -0.55 3.20 -0.77 -0.22 116.97 120.09 3dwp h TYR 68 Ca 0.01 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3dwp h TYR 68 Cb 0.86 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3dwp h TYR 68 CO 0.01 0.81 -0.08 1.15 -1.64 0.00 0.00 178.16 178.42 3dwp h THR 69 N 1.16 0.92 -0.14 1.81 2.02 -0.61 -3.27 112.91 114.81 3dwp h THR 69 Ca 0.29 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 3dwp h THR 69 Cb 0.07 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3dwp h THR 69 CO -0.04 0.09 -0.49 0.71 0.37 0.00 0.00 175.52 176.15 3dwp h THR 70 N -0.41 1.33 -0.53 3.16 1.35 -1.33 -3.47 112.91 113.01 3dwp h THR 70 Ca -0.02 -1.73 -0.15 0.00 -0.55 0.00 0.00 66.41 63.96 3dwp h THR 70 Cb 0.32 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.46 3dwp h THR 70 CO 0.04 0.52 -0.15 0.61 -0.25 0.00 0.00 175.52 176.29 3dwp n GLY 71 N 0.08 0.72 3.82 5.82 0.00 -0.10 -5.02 105.19 110.51 3dwp n GLY 71 Ca -0.02 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.07 3.99 0.03 1.61 -2.07 -1.25 -4.87 119.66 114.03 3dwp s GLN 72 Ca 0.00 1.15 -0.30 0.00 -1.82 0.00 0.00 55.36 54.39 3dwp s GLN 72 Cb 0.00 -2.14 -0.06 0.00 -1.09 0.00 0.00 33.01 29.73 3dwp s GLN 72 CO 0.00 -0.24 1.32 -2.14 -1.32 0.00 0.00 175.29 172.91 3dwp s PRO 73 N -3.45 4.34 0.28 9.60 0.02 -1.26 -4.53 135.00 140.00 3dwp s PRO 73 Ca 0.63 1.90 0.04 0.00 0.02 0.00 0.00 61.00 63.58 3dwp s PRO 73 Cb -0.12 -3.45 -0.06 0.00 0.02 0.00 0.00 34.50 30.90 3dwp s PRO 73 CO 0.20 -0.45 0.04 0.14 -0.33 0.00 0.00 177.00 176.60 3dwp s VAL 74 N 1.77 1.09 -0.22 3.83 -7.23 0.18 -3.17 120.40 116.64 3dwp s VAL 74 Ca 0.62 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3dwp s VAL 74 Cb -0.31 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 3dwp s VAL 74 CO 0.27 -0.12 0.20 -0.60 -0.31 0.00 0.00 175.10 174.54 3dwp s ARG 75 N -3.89 4.11 -0.29 4.82 3.52 -0.22 -0.37 118.95 126.64 3dwp s ARG 75 Ca 0.34 -0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.59 3dwp s ARG 75 Cb 0.07 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3dwp s ARG 75 CO 0.13 0.09 0.49 0.42 -0.81 0.00 0.00 175.30 175.61 3dwp s ILE 76 N 0.97 5.07 -0.10 4.11 -1.09 0.22 -2.37 121.20 128.01 3dwp s ILE 76 Ca 0.10 0.66 -0.17 0.00 -2.23 0.00 0.00 60.65 59.00 3dwp s ILE 76 Cb -0.13 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 3dwp s ILE 76 CO 0.04 0.01 0.45 -0.31 -1.23 0.00 0.00 174.94 173.90 3dwp s TYR 77 N 2.29 3.55 0.10 3.97 2.02 -1.02 -0.87 117.35 127.38 3dwp s TYR 77 Ca 0.19 0.89 -0.04 0.00 -0.37 0.00 0.00 57.07 57.74 3dwp s TYR 77 Cb -0.16 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 3dwp s TYR 77 CO 0.11 0.27 0.09 1.52 -1.57 0.00 0.00 175.55 175.96 3dwp s TYR 78 N 0.27 0.49 -0.21 2.71 -0.85 -0.43 -0.96 117.35 118.37 3dwp s TYR 78 Ca 0.25 -0.95 0.01 0.00 -0.52 0.00 0.00 57.07 55.86 3dwp s TYR 78 Cb -0.15 -0.28 0.05 0.00 0.38 0.00 0.00 41.96 41.95 3dwp s TYR 78 CO 0.10 -0.50 -0.10 -2.00 -1.52 0.00 0.00 175.55 171.53 3dwp s GLU 79 N -3.94 2.04 0.63 -3.49 2.12 -0.17 -0.74 118.70 115.15 3dwp s GLU 79 Ca 0.12 -0.94 -0.17 0.00 0.36 0.00 0.00 54.97 54.34 3dwp s GLU 79 Cb 0.06 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 3dwp s GLU 79 CO -0.06 -0.47 1.17 -1.25 -0.54 0.00 0.00 175.26 174.11 3dwp s PRO 80 N 1.35 2.82 0.00 4.30 0.04 -1.26 -1.43 135.00 140.81 3dwp s PRO 80 Ca -0.03 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3dwp s PRO 80 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3dwp s PRO 80 CO -0.08 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.08 3dwp n GLY 81 N 0.18 0.56 0.10 0.56 0.00 -1.21 -4.89 105.19 100.49 3dwp n GLY 81 Ca 0.12 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 1.59 -3.35 1.61 2.07 -1.40 -3.44 116.25 113.32 3dwp h VAL 82 Ca 0.00 -2.47 -0.56 0.00 0.82 0.00 0.00 66.70 64.49 3dwp h VAL 82 Cb 0.00 3.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 3dwp h VAL 82 CO 0.00 0.68 0.05 0.26 0.02 0.00 0.00 177.57 178.59 3dwp s TRP 83 N -2.40 3.78 0.00 1.57 0.23 -0.53 -4.96 118.94 116.63 3dwp s TRP 83 Ca -0.15 1.36 0.00 0.00 -2.03 0.00 0.00 56.10 55.28 3dwp s TRP 83 Cb -0.00 -2.65 0.00 0.00 0.03 0.00 0.00 33.47 30.85 3dwp s TRP 83 CO 0.79 0.44 0.00 0.25 0.96 0.00 0.00 176.95 179.39 3dwp n THR 84 N 2.21 0.00 -1.58 2.01 -2.24 -1.26 -4.57 114.28 108.85 3dwp n THR 84 Ca -0.07 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.26 3dwp n THR 84 Cb 0.50 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 3dwp n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwp n TYR 85 N -0.93 1.98 -0.37 4.78 9.36 -1.26 -4.89 117.16 125.83 3dwp n TYR 85 Ca 0.00 -0.05 -0.01 0.00 3.32 0.00 0.00 57.90 61.16 3dwp n TYR 85 Cb 0.02 -2.69 0.12 0.00 -0.63 0.00 0.00 39.34 36.16 3dwp n TYR 85 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3dwp h PRO 86 N 13.32 1.27 -0.26 2.98 0.11 -1.99 -1.41 132.00 146.02 3dwp h PRO 86 Ca -0.40 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 65.68 3dwp h PRO 86 Cb 1.26 -0.29 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3dwp h PRO 86 CO 0.97 0.84 -0.01 -1.35 -0.21 0.00 0.00 178.00 178.24 3dwp h PRO 87 N 1.31 0.06 -0.19 1.05 0.11 -2.00 -1.35 132.00 131.00 3dwp h PRO 87 Ca 0.38 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.54 3dwp h PRO 87 Cb -0.09 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 30.95 3dwp h PRO 87 CO -0.10 0.04 -0.20 0.35 -0.21 0.00 0.00 178.00 177.88 3dwp h PHE 88 N 0.06 -0.53 -0.90 0.65 3.57 -1.84 -1.21 116.94 116.74 3dwp h PHE 88 Ca 0.12 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3dwp h PHE 88 Cb 0.17 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3dwp h PHE 88 CO -0.21 -0.28 0.59 0.28 -2.23 0.00 0.00 178.31 176.46 3dwp h VAL 89 N -0.23 1.20 -0.04 1.41 2.07 -1.07 -0.05 116.25 119.54 3dwp h VAL 89 Ca 0.12 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3dwp h VAL 89 Cb 0.41 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3dwp h VAL 89 CO -0.32 0.22 -0.02 0.50 0.02 0.00 0.00 177.57 177.97 3dwp h LYS 90 N 1.19 0.08 -0.21 1.57 3.64 -1.00 -2.68 116.57 119.16 3dwp h LYS 90 Ca 0.34 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3dwp h LYS 90 Cb -0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3dwp h LYS 90 CO -0.09 0.47 -0.09 0.00 -2.27 0.00 0.00 179.45 177.46 3dwp h ALA 91 N 0.61 1.45 -3.00 5.00 0.00 -1.14 -3.45 119.26 118.73 3dwp h ALA 91 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dwp h ALA 91 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dwp h ALA 91 CO 0.01 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.92 3dwp n LEU 92 N -4.27 0.00 -3.56 0.00 4.77 -0.04 -5.09 117.00 108.80 3dwp n LEU 92 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3dwp n LEU 92 Cb 0.27 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3dwp n LEU 92 CO 0.38 0.00 0.90 0.28 -1.33 0.00 0.00 177.39 177.62 3dwp s THR 93 N 0.24 0.00 -0.53 -5.08 -1.32 -1.02 -4.96 115.64 102.97 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 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3dwp s THR 93 CO 0.00 0.00 1.22 0.77 -2.21 0.00 0.00 174.62 174.40 3dwp h SER 94 N 2.01 0.00 -2.77 8.08 4.64 -1.80 -3.39 113.55 120.31 3dwp h SER 94 Ca -0.13 -0.18 -0.54 0.00 -0.47 0.00 0.00 61.79 60.47 3dwp h SER 94 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3dwp h SER 94 CO 0.26 0.09 0.93 0.20 -0.87 0.00 0.00 176.83 177.44 3dwp s ASN 95 N -4.50 6.70 0.24 4.97 0.01 -1.26 -1.45 114.94 119.65 3dwp s ASN 95 Ca 0.04 2.33 -0.25 0.00 -0.71 0.00 0.00 52.86 54.27 3dwp s ASN 95 Cb 0.12 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 3dwp s ASN 95 CO 0.75 -0.82 0.85 0.00 -1.51 0.00 0.00 177.10 176.37 3dwp s ALA 96 N 2.57 3.35 -0.12 0.60 0.00 -0.51 -1.25 121.76 126.40 3dwp s ALA 96 Ca 0.70 0.43 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 3dwp s ALA 96 Cb -0.36 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3dwp s ALA 96 CO 0.30 0.25 0.80 -1.17 0.00 0.00 0.00 175.76 175.94 3dwp s LEU 97 N -1.58 4.24 0.00 0.00 2.96 0.75 -0.99 118.68 124.06 3dwp s LEU 97 Ca 0.42 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3dwp s LEU 97 Cb -0.21 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.26 3dwp s LEU 97 CO 0.26 -0.29 0.06 1.33 -1.32 0.00 0.00 176.35 176.39 3dwp n VAL 98 N 4.34 0.00 -3.81 1.68 0.24 -0.13 -4.76 118.33 115.90 3dwp n VAL 98 Ca 0.03 -0.38 0.04 0.00 -2.04 0.00 0.00 64.34 61.99 3dwp n VAL 98 Cb 0.50 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.92 3dwp n VAL 98 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dwp s GLY 99 N -0.63 -0.35 -0.00 7.63 0.00 -1.19 -4.62 107.32 108.16 3dwp s GLY 99 Ca 0.00 0.54 -0.10 0.00 0.00 0.00 0.00 44.72 45.16 3dwp s GLY 99 CO 0.00 3.79 0.19 1.08 0.00 0.00 0.00 173.10 178.17 3dwp s LEU 100 N -3.52 1.32 -0.06 0.66 1.43 -1.26 -2.45 118.68 114.80 3dwp s LEU 100 Ca 0.24 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 3dwp s LEU 100 Cb 0.04 0.87 0.02 0.00 0.03 0.00 0.00 46.19 47.15 3dwp s LEU 100 CO -0.05 -0.40 0.24 -0.44 0.23 0.00 0.00 176.35 175.93 3dwp s SER 101 N -1.37 -0.19 0.81 2.29 0.01 -1.00 -4.98 113.70 109.27 3dwp s SER 101 Ca -0.14 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 3dwp s SER 101 Cb -0.07 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.66 3dwp s SER 101 CO 0.02 -0.20 1.11 0.42 0.41 0.00 0.00 173.24 175.01 3dwp s THR 102 N -0.39 2.91 0.07 1.44 -4.23 -1.26 -1.06 115.64 113.12 3dwp s THR 102 Ca -0.05 0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 3dwp s THR 102 Cb -0.03 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 3dwp s THR 102 CO 0.01 -0.38 -0.21 0.00 -0.54 0.00 0.00 174.62 173.51 3dwp n THR 104 N 1.53 1.55 -4.03 0.00 -2.24 0.22 -4.95 114.28 106.35 3dwp n THR 104 Ca -0.18 -0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 60.83 3dwp n THR 104 Cb 0.53 -1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.07 0.00 0.54 4.28 -2.24 -0.88 -5.01 114.28 107.90 3dwp n THR 105 Ca -0.30 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3dwp n THR 105 Cb 1.08 0.06 0.36 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.12 0.00 0.00 3.42 4.64 -1.93 -3.32 113.55 116.48 3dwp h SER 106 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 3dwp h SER 106 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3dwp h SER 106 CO 0.03 0.00 -1.28 0.35 -0.87 0.00 0.00 176.83 175.07 3dwp n THR 107 N -2.44 0.17 -3.58 2.95 -2.24 -1.26 -3.06 114.28 104.81 3dwp n THR 107 Ca 0.05 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3dwp n THR 107 Cb 0.44 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.23 3.09 0.23 -0.78 0.41 -1.25 -4.94 118.70 113.23 3dwp s GLU 108 Ca -0.02 -0.91 0.07 0.00 -0.41 0.00 0.00 54.97 53.70 3dwp s GLU 108 Cb 0.02 -3.73 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 3dwp s GLU 108 CO 0.20 -0.59 -0.11 0.00 -0.49 0.00 0.00 175.26 174.27 3dwp s PHE 110 N -3.01 3.50 0.00 0.00 5.36 -0.48 -4.90 117.98 118.45 3dwp s PHE 110 Ca 0.25 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 3dwp s PHE 110 Cb 0.01 -3.35 0.00 0.00 -0.34 0.00 0.00 43.02 39.34 3dwp s PHE 110 CO 0.08 -0.97 0.00 0.41 -1.46 0.00 0.00 175.22 173.29 3dwp n GLY 111 N 2.93 0.04 3.78 13.12 0.00 -1.26 -4.65 105.19 119.14 3dwp n GLY 111 Ca 0.07 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.33 2.66 0.41 1.61 0.04 -1.26 -5.05 135.00 133.08 3dwp s PRO 112 Ca 0.00 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.04 3dwp s PRO 112 Cb 0.00 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 3dwp s PRO 112 CO 0.00 -1.34 0.97 -0.51 0.04 0.00 0.00 177.00 176.16 3dwp s ASP 113 N -3.10 6.92 -0.58 6.66 1.01 -1.26 -4.95 116.67 121.36 3dwp s ASP 113 Ca 0.63 1.79 0.04 0.00 0.71 0.00 0.00 52.55 55.72 3dwp s ASP 113 Cb -0.18 -2.56 0.16 0.00 1.01 0.00 0.00 42.92 41.36 3dwp s ASP 113 CO 0.49 -0.38 0.41 -0.60 0.21 0.00 0.00 175.17 175.30 3dwp s ARG 114 N -2.89 1.83 0.02 8.23 3.52 -1.26 -4.56 118.95 123.84 3dwp s ARG 114 Ca 0.60 -2.80 0.05 0.00 -0.13 0.00 0.00 55.73 53.46 3dwp s ARG 114 Cb -0.13 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 3dwp s ARG 114 CO 0.18 -1.30 -0.16 0.15 -0.81 0.00 0.00 175.30 173.35 3dwp s LYS 115 N -0.76 1.17 0.15 5.12 1.02 -1.07 -3.23 119.74 122.13 3dwp s LYS 115 Ca 0.26 -0.74 -0.34 0.00 0.02 0.00 0.00 55.97 55.18 3dwp s LYS 115 Cb -0.04 -1.19 -0.14 0.00 -0.52 0.00 0.00 37.83 35.94 3dwp s LYS 115 CO -0.16 0.31 1.59 1.63 -0.92 0.00 0.00 175.35 177.80 3dwp n LYS 116 N 2.16 2.15 0.00 1.68 5.02 -1.21 -2.51 118.16 125.45 3dwp n LYS 116 Ca -0.17 0.78 0.03 0.00 -2.02 0.00 0.00 58.31 56.93 3dwp n LYS 116 Cb 0.54 -2.55 0.17 0.00 -0.02 0.00 0.00 35.03 33.17 3dwp n LYS 116 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97