#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mxq h TYR -5 N 0.00 0.00 -3.53 1.96 -1.99 -2.03 -3.42 116.97 107.97 3mxq h TYR -5 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 3mxq h TYR -5 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 3mxq h TYR -5 CO 0.00 0.44 0.14 -0.06 -0.00 0.00 0.00 178.16 178.68 3mxq s PHE -4 N -3.70 3.81 0.33 4.88 0.08 -1.26 -4.98 117.98 117.13 3mxq s PHE -4 Ca -0.01 1.53 0.06 0.00 0.12 0.00 0.00 56.93 58.63 3mxq s PHE -4 Cb 0.12 -2.70 0.57 0.00 -0.57 0.00 0.00 43.02 40.44 3mxq s PHE -4 CO 0.71 0.45 1.80 -0.56 -0.10 0.00 0.00 175.22 177.53 3mxq h GLN -3 N 4.01 0.35 -0.51 0.44 3.07 -2.00 -2.44 115.11 118.03 3mxq h GLN -3 Ca -0.48 -0.11 0.07 0.00 0.09 0.00 0.00 58.65 58.22 3mxq h GLN -3 Cb 1.20 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 28.67 3mxq h GLN -3 CO 0.65 0.55 0.17 1.03 0.09 0.00 0.00 178.83 181.33 3mxq h SER -2 N 0.32 0.16 -0.41 0.06 0.87 -1.96 -2.43 113.55 110.17 3mxq h SER -2 Ca 0.05 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3mxq h SER -2 Cb 0.55 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3mxq h SER -2 CO 0.04 0.11 0.23 0.78 -0.53 0.00 0.00 176.83 177.46 3mxq h ASN -1 N 0.34 0.37 0.00 6.23 4.21 -1.79 -0.89 115.58 124.05 3mxq h ASN -1 Ca 0.25 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3mxq h ASN -1 Cb 0.28 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3mxq h ASN -1 CO -0.26 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 3mxq n ALA 0 N -2.25 0.70 0.00 -0.83 0.00 -0.92 -0.59 120.51 116.62 3mxq n ALA 0 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mxq n ALA 0 Cb 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3mxq n ALA 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mxq n ALA 2 N 0.26 0.00 -0.10 0.00 0.00 -0.34 -1.53 120.51 118.81 3mxq n ALA 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3mxq n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3mxq n ALA 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mxq h LYS 3 N 0.00 -0.30 -0.42 0.00 1.63 -1.11 0.13 116.57 116.49 3mxq h LYS 3 Ca 0.00 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 3mxq h LYS 3 Cb 0.00 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.61 3mxq h LYS 3 CO 0.00 -0.20 -0.38 0.77 -3.45 0.00 0.00 179.45 176.18 3mxq h SER 4 N -0.32 -1.28 -0.54 4.20 0.02 -1.54 0.22 113.55 114.31 3mxq h SER 4 Ca 0.14 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 3mxq h SER 4 Cb 0.57 0.58 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 3mxq h SER 4 CO -0.53 -0.35 0.29 0.03 -1.14 0.00 0.00 176.83 175.13 3mxq h ARG 5 N -0.28 0.54 -0.15 3.45 2.47 -1.49 0.63 114.38 119.54 3mxq h ARG 5 Ca 0.16 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3mxq h ARG 5 Cb 0.57 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3mxq h ARG 5 CO -0.57 0.36 0.05 -0.07 0.56 0.00 0.00 179.97 180.29 3mxq h LEU 6 N 0.55 0.06 -0.59 3.04 3.38 0.27 -1.29 115.31 120.74 3mxq h LEU 6 Ca 0.23 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3mxq h LEU 6 Cb 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3mxq h LEU 6 CO -0.15 0.06 0.35 -0.07 0.09 0.00 0.00 178.44 178.72 3mxq h LEU 7 N 0.12 0.57 -1.09 1.67 3.38 0.21 -1.30 115.31 118.87 3mxq h LEU 7 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3mxq h LEU 7 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3mxq h LEU 7 CO -0.07 0.40 0.30 0.25 0.09 0.00 0.00 178.44 179.41 3mxq h LEU 8 N 0.69 0.85 -1.10 1.67 5.85 -0.74 0.31 115.31 122.84 3mxq h LEU 8 Ca 0.24 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3mxq h LEU 8 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3mxq h LEU 8 CO -0.11 0.74 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.30 3mxq h SER 9 N 0.94 0.45 -0.01 1.25 0.87 -0.60 -0.02 113.55 116.42 3mxq h SER 9 Ca 0.23 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3mxq h SER 9 Cb 0.12 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3mxq h SER 9 CO -0.03 0.62 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.70 3mxq h GLU 10 N 0.42 0.10 -0.24 2.24 4.81 -0.20 -1.52 114.58 120.19 3mxq h GLU 10 Ca 0.08 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3mxq h GLU 10 Cb 0.51 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3mxq h GLU 10 CO 0.03 0.82 -0.25 1.25 -0.73 0.00 0.00 179.01 180.13 3mxq h LEU 11 N -0.60 -0.80 -0.81 1.64 5.85 -0.92 0.02 115.31 119.69 3mxq h LEU 11 Ca -0.01 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3mxq h LEU 11 Cb 0.86 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3mxq h LEU 11 CO 0.02 -0.29 0.49 -0.07 -0.34 0.00 0.00 178.44 178.25 3mxq h LEU 12 N -0.26 0.98 -1.27 2.25 3.38 -1.04 -2.37 115.31 116.99 3mxq h LEU 12 Ca 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3mxq h LEU 12 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3mxq h LEU 12 CO -0.39 0.76 -0.28 0.44 0.09 0.00 0.00 178.44 179.06 3mxq h ASP 13 N 1.12 0.00 -0.17 -0.43 5.19 -0.78 -1.67 116.42 119.68 3mxq h ASP 13 Ca 0.29 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.57 3mxq h ASP 13 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3mxq h ASP 13 CO -0.05 0.28 -0.40 1.56 -3.12 0.00 0.00 179.24 177.51 3mxq h GLN 14 N 0.00 0.56 0.00 3.56 1.08 -0.55 -3.31 115.11 116.46 3mxq h GLN 14 Ca -0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3mxq h GLN 14 Cb 0.69 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3mxq h GLN 14 CO 0.04 1.00 -0.46 -0.07 -0.95 0.00 0.00 178.83 178.39 3mxq h LEU 15 N 0.21 0.00 -7.17 1.46 3.38 -1.34 -3.47 115.31 108.39 3mxq h LEU 15 Ca -0.00 -0.07 -0.69 0.00 0.09 0.00 0.00 57.88 57.21 3mxq h LEU 15 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 3mxq h LEU 15 CO 0.09 0.04 0.45 -1.54 0.09 0.00 0.00 178.44 177.56 3mxq n SER 16 N -2.50 0.77 -3.77 -0.43 3.41 -0.64 -4.97 113.62 105.50 3mxq n SER 16 Ca 0.03 0.94 -0.10 0.00 -0.26 0.00 0.00 58.87 59.49 3mxq n SER 16 Cb 0.48 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3mxq n SER 16 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mxq s PHE 17 N 1.92 0.01 0.05 7.33 -0.71 -1.26 -4.69 117.98 120.63 3mxq s PHE 17 Ca 0.81 -0.37 -0.16 0.00 -1.04 0.00 0.00 56.93 56.17 3mxq s PHE 17 Cb -1.16 0.06 -0.06 0.00 -1.21 0.00 0.00 43.02 40.65 3mxq s PHE 17 CO 0.61 -0.59 0.47 0.00 -1.34 0.00 0.00 175.22 174.38 3mxq s ALA 18 N -3.70 3.65 -0.10 1.99 0.00 -0.34 -4.71 121.76 118.55 3mxq s ALA 18 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 3mxq s ALA 18 Cb 0.03 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.72 3mxq s ALA 18 CO -0.11 0.46 0.24 -1.17 0.00 0.00 0.00 175.76 175.19 3mxq s LEU 19 N -1.26 0.63 0.12 0.00 0.20 -1.26 -1.67 118.68 115.44 3mxq s LEU 19 Ca 0.28 0.50 -0.07 0.00 0.69 0.00 0.00 54.13 55.53 3mxq s LEU 19 Cb -0.17 0.75 -0.01 0.00 -0.43 0.00 0.00 46.19 46.33 3mxq s LEU 19 CO 0.16 -0.14 0.18 0.00 -0.29 0.00 0.00 176.35 176.27 3mxq s ILE 21 N -3.92 2.72 -0.12 0.00 1.01 0.35 -0.73 121.20 120.51 3mxq s ILE 21 Ca 0.12 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3mxq s ILE 21 Cb 0.05 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 3mxq s ILE 21 CO -0.06 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 3mxq s VAL 22 N 0.07 2.45 0.58 2.92 1.01 -0.15 -1.62 120.40 125.65 3mxq s VAL 22 Ca -0.07 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 3mxq s VAL 22 Cb -0.15 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 3mxq s VAL 22 CO 0.05 0.54 1.02 -0.60 0.00 0.00 0.00 175.10 176.12 3mxq s ARG 23 N 0.41 3.57 0.00 2.72 3.52 0.35 -1.19 118.95 128.33 3mxq s ARG 23 Ca -0.14 1.00 0.05 0.00 -0.13 0.00 0.00 55.73 56.51 3mxq s ARG 23 Cb -0.17 -2.08 0.30 0.00 -1.56 0.00 0.00 34.95 31.44 3mxq s ARG 23 CO 0.07 -0.59 0.68 0.27 -0.81 0.00 0.00 175.30 174.91 3mxq n ASN 24 N -2.10 0.00 -1.29 -2.12 6.94 -0.42 0.42 115.26 116.69 3mxq n ASN 24 Ca 0.07 -0.49 0.02 0.00 -0.02 0.00 0.00 54.58 54.16 3mxq n ASN 24 Cb 0.54 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.22 3mxq n ASN 24 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3mxq n ASP 25 N -0.74 3.89 -0.59 0.53 5.68 -1.26 -4.98 116.55 119.07 3mxq n ASP 25 Ca 0.04 -3.25 -0.08 0.00 -0.50 0.00 0.00 54.79 51.00 3mxq n ASP 25 Cb 0.02 -0.63 -0.03 0.00 -1.14 0.00 0.00 41.12 39.34 3mxq n ASP 25 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3mxq n TYR 26 N -0.53 0.00 -3.86 2.11 4.01 0.17 -5.02 117.16 114.04 3mxq n TYR 26 Ca 0.30 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.76 3mxq n TYR 26 Cb 1.08 -1.89 -0.03 0.00 -0.31 0.00 0.00 39.34 38.18 3mxq n TYR 26 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3mxq s VAL 27 N -2.04 5.30 -0.32 -0.72 -7.23 -1.23 -2.46 120.40 111.70 3mxq s VAL 27 Ca 0.00 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.49 3mxq s VAL 27 Cb 0.00 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 3mxq s VAL 27 CO 0.00 -0.05 0.54 -0.63 -0.31 0.00 0.00 175.10 174.65 3mxq s ILE 28 N -1.72 5.01 -0.38 -0.62 1.01 -0.02 -0.49 121.20 123.99 3mxq s ILE 28 Ca 0.36 0.60 0.23 0.00 0.00 0.00 0.00 60.65 61.84 3mxq s ILE 28 Cb -0.12 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.30 3mxq s ILE 28 CO 0.28 -0.12 0.94 1.33 0.00 0.00 0.00 174.94 177.37 3mxq n VAL 29 N 5.36 0.29 -3.65 2.92 0.24 -0.64 -0.03 118.33 122.81 3mxq n VAL 29 Ca -0.04 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 3mxq n VAL 29 Cb 0.49 -0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 3mxq n VAL 29 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3mxq s LYS 30 N -3.31 0.66 -0.02 7.34 2.20 -1.23 -4.84 119.74 120.55 3mxq s LYS 30 Ca 0.00 1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 3mxq s LYS 30 Cb 0.13 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3mxq s LYS 30 CO 0.82 -0.14 0.05 0.54 -0.36 0.00 0.00 175.35 176.25 3mxq s VAL 31 N 1.38 0.01 0.11 4.02 0.11 -1.26 -0.50 120.40 124.28 3mxq s VAL 31 Ca -0.08 -0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 58.67 3mxq s VAL 31 Cb -0.06 -0.11 -0.12 0.00 -1.53 0.00 0.00 36.38 34.56 3mxq s VAL 31 CO -0.15 -0.05 0.45 0.59 -3.33 0.00 0.00 175.10 172.61 3mxq n ASN 32 N 2.90 -0.68 0.27 3.54 4.13 -0.58 -4.91 115.26 119.93 3mxq n ASN 32 Ca -0.13 0.79 0.13 0.00 1.68 0.00 0.00 54.58 57.04 3mxq n ASN 32 Cb 0.59 -0.66 0.76 0.00 -1.54 0.00 0.00 39.78 38.93 3mxq n ASN 32 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3mxq h GLU 33 N 1.01 0.00 -0.20 3.52 4.11 -1.97 -2.85 114.58 118.20 3mxq h GLU 33 Ca -0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.13 3mxq h GLU 33 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3mxq h GLU 33 CO 0.41 0.09 -0.13 -0.92 0.07 0.00 0.00 179.01 178.53 3mxq h TYR 34 N 0.00 0.51 0.38 2.06 5.03 -1.91 -1.86 116.97 121.18 3mxq h TYR 34 Ca -0.00 -0.14 -0.02 0.00 2.58 0.00 0.00 58.73 61.15 3mxq h TYR 34 Cb 0.24 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.41 3mxq h TYR 34 CO 0.00 0.76 -0.18 0.35 -1.32 0.00 0.00 178.16 177.77 3mxq h PHE 35 N 0.12 -0.47 -0.19 -3.82 -0.00 -1.83 -2.85 116.94 107.90 3mxq h PHE 35 Ca 0.04 -0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.05 3mxq h PHE 35 Cb 0.64 0.15 -0.01 0.00 -0.00 0.00 0.00 35.95 36.74 3mxq h PHE 35 CO 0.07 -0.23 0.14 0.93 -0.00 0.00 0.00 178.31 179.22 3mxq h GLU 36 N -0.61 0.00 -0.01 1.11 5.08 -1.52 -1.84 114.58 116.79 3mxq h GLU 36 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mxq h GLU 36 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3mxq h GLU 36 CO 0.08 0.00 -0.37 -1.13 -1.00 0.00 0.00 179.01 176.59 3mxq n SER 37 N -4.40 1.48 0.00 1.42 3.41 -0.70 -4.39 113.62 110.43 3mxq n SER 37 Ca 0.02 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3mxq n SER 37 Cb 0.28 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3mxq n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mxq n ARG 38 N -0.39 0.81 -4.00 4.33 5.12 -0.73 -5.07 116.66 116.74 3mxq n ARG 38 Ca 0.11 -0.76 -0.16 0.00 -1.93 0.00 0.00 57.85 55.10 3mxq n ARG 38 Cb 0.40 -0.79 -0.15 0.00 -1.16 0.00 0.00 32.46 30.76 3mxq n ARG 38 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3mxq s VAL 39 N -0.35 0.24 0.00 1.55 -7.23 -0.99 -4.33 120.40 109.29 3mxq s VAL 39 Ca 0.00 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 3mxq s VAL 39 Cb 0.00 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.66 3mxq s VAL 39 CO 0.00 0.12 0.00 2.30 -0.31 0.00 0.00 175.10 177.21 3mxq n ILE 40 N 3.69 0.00 0.00 -0.62 -0.00 -1.07 -4.89 119.36 116.47 3mxq n ILE 40 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 3mxq n ILE 40 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 3mxq n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mxq n GLY 43 N 0.00 -0.41 0.36 3.28 0.00 -1.26 -5.16 105.19 102.01 3mxq n GLY 43 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3mxq n GLY 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3mxq h GLU 44 N 0.00 -0.43 0.00 1.61 -0.00 -2.05 -3.53 114.58 110.19 3mxq h GLU 44 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 3mxq h GLU 44 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 3mxq h GLU 44 CO 0.00 -0.29 0.00 -2.37 -0.00 0.00 0.00 179.01 176.35 3mxq n THR 45 N -4.79 0.00 -1.65 -1.06 5.66 -1.26 -5.25 114.28 105.94 3mxq n THR 45 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 3mxq n THR 45 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 3mxq n THR 45 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 3mxq n GLN 47 N 0.00 -1.71 -2.64 1.09 -0.06 -1.26 -4.87 117.38 107.93 3mxq n GLN 47 Ca 0.00 1.23 -0.08 0.00 -2.00 0.00 0.00 57.00 56.16 3mxq n GLN 47 Cb 0.00 -1.70 0.04 0.00 -4.06 0.00 0.00 30.24 24.52 3mxq n GLN 47 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3mxq n GLY 48 N 0.65 0.08 3.61 1.69 0.00 0.96 -5.01 105.19 107.18 3mxq n GLY 48 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 3mxq n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mxq n LYS 49 N -2.40 0.94 -3.05 1.61 2.85 -1.25 -4.88 118.16 111.98 3mxq n LYS 49 Ca -0.13 -1.91 -0.40 0.00 -1.05 0.00 0.00 58.31 54.82 3mxq n LYS 49 Cb 0.58 2.43 -0.05 0.00 -0.65 0.00 0.00 35.03 37.33 3mxq n LYS 49 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3mxq s ASN 50 N -3.08 6.82 0.08 -5.58 3.84 -1.26 -0.84 114.94 114.92 3mxq s ASN 50 Ca 0.17 0.99 -0.17 0.00 0.21 0.00 0.00 52.86 54.07 3mxq s ASN 50 Cb -0.04 -2.39 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 3mxq s ASN 50 CO 0.09 -0.27 1.41 0.40 -2.79 0.00 0.00 177.10 175.95 3mxq h ILE 51 N 5.08 1.31 -0.72 -5.21 2.04 -1.86 -1.48 117.51 116.68 3mxq h ILE 51 Ca -0.33 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.15 3mxq h ILE 51 Cb 1.15 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 3mxq h ILE 51 CO 0.79 0.43 0.43 -0.07 0.00 0.00 0.00 178.15 179.73 3mxq h LEU 52 N 0.30 0.85 -0.28 1.44 3.38 -1.90 -1.42 115.31 117.69 3mxq h LEU 52 Ca 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3mxq h LEU 52 Cb 0.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3mxq h LEU 52 CO 0.06 0.66 -0.17 -0.33 0.09 0.00 0.00 178.44 178.74 3mxq h GLU 53 N 0.98 0.00 0.00 1.13 5.08 -1.93 -2.91 114.58 116.94 3mxq h GLU 53 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3mxq h GLU 53 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3mxq h GLU 53 CO -0.05 0.17 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.45 3mxq h LEU 54 N 0.00 0.00 -5.65 1.33 3.38 -0.51 -3.39 115.31 110.47 3mxq h LEU 54 Ca -0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3mxq h LEU 54 Cb 1.03 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.38 3mxq h LEU 54 CO 0.02 0.48 -1.11 0.49 0.09 0.00 0.00 178.44 178.42 3mxq n PHE 55 N -3.17 1.02 0.24 1.13 3.01 -0.61 -4.96 117.46 114.12 3mxq n PHE 55 Ca 0.01 -3.62 0.18 0.00 1.01 0.00 0.00 57.45 55.03 3mxq n PHE 55 Cb 0.74 -0.41 0.88 0.00 -0.01 0.00 0.00 39.48 40.68 3mxq n PHE 55 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3mxq h PRO 56 N 2.98 0.00 0.00 -1.08 0.11 -1.72 0.31 132.00 132.60 3mxq h PRO 56 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3mxq h PRO 56 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3mxq h PRO 56 CO 0.56 0.00 0.02 0.93 -0.21 0.00 0.00 178.00 179.30 3mxq h GLU 57 N 0.00 0.00 0.00 1.05 3.07 -1.93 -2.84 114.58 113.93 3mxq h GLU 57 Ca 0.07 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 3mxq h GLU 57 Cb 0.52 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.28 3mxq h GLU 57 CO -0.00 0.00 -0.66 0.43 -1.40 0.00 0.00 179.01 177.38 3mxq n SER 58 N -2.57 0.32 -0.02 1.42 7.64 0.08 -4.91 113.62 115.59 3mxq n SER 58 Ca -0.02 -1.95 -0.03 0.00 1.01 0.00 0.00 58.87 57.88 3mxq n SER 58 Cb 0.07 -0.21 0.21 0.00 -1.01 0.00 0.00 64.21 63.27 3mxq n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mxq h ALA 59 N 0.36 1.15 0.50 -0.43 0.00 -1.29 -0.39 119.26 119.17 3mxq h ALA 59 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3mxq h ALA 59 Cb 1.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3mxq h ALA 59 CO 0.03 0.53 -0.24 -0.44 0.00 0.00 0.00 179.25 179.13 3mxq h ASP 60 N 0.53 -0.56 -1.00 0.00 5.19 -1.91 -1.43 116.42 117.23 3mxq h ASP 60 Ca 0.09 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 3mxq h ASP 60 Cb 0.54 0.15 -0.07 0.00 0.18 0.00 0.00 39.33 40.13 3mxq h ASP 60 CO 0.03 -0.37 0.64 0.22 -3.12 0.00 0.00 179.24 176.64 3mxq h TYR 61 N -0.70 1.19 -0.01 4.55 5.03 -1.87 -2.78 116.97 122.37 3mxq h TYR 61 Ca -0.07 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 3mxq h TYR 61 Cb 0.53 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.42 3mxq h TYR 61 CO -0.03 0.59 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.29 3mxq h LEU 62 N 1.15 0.05 -0.59 2.82 3.38 -1.04 -2.69 115.31 118.38 3mxq h LEU 62 Ca 0.44 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.87 3mxq h LEU 62 Cb 0.22 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 3mxq h LEU 62 CO -0.19 0.71 -0.14 0.50 0.09 0.00 0.00 178.44 179.41 3mxq h LYS 63 N -0.60 0.01 0.17 1.13 3.64 -1.12 -0.32 116.57 119.47 3mxq h LYS 63 Ca -0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3mxq h LYS 63 Cb 0.70 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3mxq h LYS 63 CO 0.01 0.00 -0.12 -0.09 -2.27 0.00 0.00 179.45 176.98 3mxq h ARG 64 N 0.01 -0.28 -0.38 1.90 2.43 -1.53 0.65 114.38 117.17 3mxq h ARG 64 Ca 0.29 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3mxq h ARG 64 Cb 0.44 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3mxq h ARG 64 CO -0.60 -0.19 0.22 0.87 -1.51 0.00 0.00 179.97 178.76 3mxq h LYS 65 N -0.29 0.52 0.08 0.20 1.79 -0.99 0.21 116.57 118.08 3mxq h LYS 65 Ca -0.01 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3mxq h LYS 65 Cb 0.25 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3mxq h LYS 65 CO 0.00 0.37 -0.04 0.82 -1.08 0.00 0.00 179.45 179.53 3mxq h ILE 66 N 0.53 1.13 -0.91 1.86 2.04 -0.72 -3.15 117.51 118.28 3mxq h ILE 66 Ca 0.14 -1.45 0.17 0.00 1.00 0.00 0.00 64.86 64.73 3mxq h ILE 66 Cb -0.00 1.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 3mxq h ILE 66 CO -0.02 0.32 0.49 0.44 0.00 0.00 0.00 178.15 179.38 3mxq h ASP 67 N -0.85 0.59 -0.02 1.72 3.45 0.71 -0.96 116.42 121.06 3mxq h ASP 67 Ca -0.01 0.10 0.03 0.00 0.43 0.00 0.00 57.03 57.58 3mxq h ASP 67 Cb 0.60 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.35 3mxq h ASP 67 CO 0.02 0.20 -0.18 0.74 -1.57 0.00 0.00 179.24 178.45 3mxq h THR 68 N 0.64 0.57 0.13 0.35 2.02 -0.71 -2.13 112.91 113.78 3mxq h THR 68 Ca 0.52 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.72 3mxq h THR 68 Cb 0.81 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3mxq h THR 68 CO -0.40 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.26 3mxq h ALA 69 N 0.66 -0.40 0.00 6.16 0.00 -1.14 -0.01 119.26 124.53 3mxq h ALA 69 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mxq h ALA 69 Cb 0.36 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3mxq h ALA 69 CO -0.18 -0.76 -0.02 1.37 0.00 0.00 0.00 179.25 179.65 3mxq h LEU 70 N -0.43 0.00 0.00 0.00 8.10 -1.41 0.76 115.31 122.34 3mxq h LEU 70 Ca 0.02 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.79 3mxq h LEU 70 Cb 0.45 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.63 3mxq h LEU 70 CO -0.11 0.02 -1.22 1.62 -4.11 0.00 0.00 178.44 174.64 3mxq h VAL 71 N 0.00 0.95 0.00 0.15 3.04 -1.02 -3.37 116.25 116.00 3mxq h VAL 71 Ca -0.00 -2.19 -0.02 0.00 -1.01 0.00 0.00 66.70 63.48 3mxq h VAL 71 Cb 0.58 2.28 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 3mxq h VAL 71 CO 0.00 0.34 -0.09 -0.29 -1.01 0.00 0.00 177.57 176.52 3mxq h ILE 72 N -0.97 0.18 -5.34 3.17 6.09 -1.04 -3.48 117.51 116.13 3mxq h ILE 72 Ca -0.33 -1.05 -0.31 0.00 -1.37 0.00 0.00 64.86 61.80 3mxq h ILE 72 Cb 1.31 1.90 0.15 0.00 0.47 0.00 0.00 36.82 40.65 3mxq h ILE 72 CO -0.19 0.09 -0.68 -0.62 -3.07 0.00 0.00 178.15 173.68 3mxq n GLU 73 N -3.15 -6.29 -3.95 2.19 1.02 0.26 -5.03 120.64 105.70 3mxq n GLU 73 Ca 0.02 0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 57.84 3mxq n GLU 73 Cb 0.49 -5.57 -0.07 0.00 -0.02 0.00 0.00 31.44 26.26 3mxq n GLU 73 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3mxq s SER 74 N -4.04 0.09 0.53 1.62 0.01 -1.18 -4.97 113.70 105.76 3mxq s SER 74 Ca 0.11 -0.84 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 3mxq s SER 74 Cb -0.05 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 3mxq s SER 74 CO 0.66 -0.83 1.27 -0.44 0.41 0.00 0.00 173.24 174.32 3mxq s SER 75 N -2.94 5.51 0.28 2.44 0.01 -1.26 -4.52 113.70 113.21 3mxq s SER 75 Ca 0.14 2.56 0.12 0.00 1.31 0.00 0.00 55.95 60.08 3mxq s SER 75 Cb 0.04 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3mxq s SER 75 CO -0.03 -1.39 -0.19 -0.94 0.41 0.00 0.00 173.24 171.09 3mxq s SER 76 N -1.20 3.62 -0.16 2.44 1.04 -0.87 -4.98 113.70 113.59 3mxq s SER 76 Ca 0.70 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 3mxq s SER 76 Cb -0.35 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.53 3mxq s SER 76 CO 0.41 0.04 0.23 0.12 0.98 0.00 0.00 173.24 175.03 3mxq s PHE 77 N -2.47 -0.34 0.12 5.02 5.36 -1.26 -2.90 117.98 121.51 3mxq s PHE 77 Ca 0.30 0.57 0.08 0.00 -0.96 0.00 0.00 56.93 56.92 3mxq s PHE 77 Cb -0.05 -0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.37 3mxq s PHE 77 CO 0.15 -0.47 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.19 3mxq s SER 78 N 2.36 4.17 0.00 6.13 0.01 -0.61 -5.00 113.70 120.76 3mxq s SER 78 Ca 0.05 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.83 3mxq s SER 78 Cb -0.14 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.39 3mxq s SER 78 CO -0.10 0.17 0.00 -0.24 0.41 0.00 0.00 173.24 173.48 3mxq n SER 79 N 0.69 0.00 -0.05 2.44 2.88 -1.26 -2.80 113.62 115.51 3mxq n SER 79 Ca -0.14 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.37 3mxq n SER 79 Cb 0.53 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 3mxq n SER 79 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3mxq h GLU 81 N 0.00 0.00 -6.13 -1.46 4.22 -2.04 -3.40 114.58 105.76 3mxq h GLU 81 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.88 3mxq h GLU 81 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3mxq h GLU 81 CO 0.00 0.00 0.07 -0.65 -2.18 0.00 0.00 179.01 176.25 3mxq s GLN 82 N -1.81 4.41 -0.13 1.92 -1.52 -1.26 -3.95 119.66 117.32 3mxq s GLN 82 Ca -0.08 0.87 0.17 0.00 -1.95 0.00 0.00 55.36 54.37 3mxq s GLN 82 Cb 0.01 -3.38 0.30 0.00 -0.22 0.00 0.00 33.01 29.72 3mxq s GLN 82 CO 0.12 0.26 1.15 1.63 -0.25 0.00 0.00 175.29 178.20 3mxq n LYS 83 N 3.05 1.25 -3.47 2.91 5.02 -1.26 -5.03 118.16 120.63 3mxq n LYS 83 Ca -0.04 -2.60 -0.13 0.00 -2.02 0.00 0.00 58.31 53.52 3mxq n LYS 83 Cb 0.51 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3mxq n LYS 83 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3mxq s PRO 84 N -2.76 1.12 -0.24 1.97 0.06 -1.26 -4.95 135.00 128.93 3mxq s PRO 84 Ca 0.31 -0.24 -0.04 0.00 0.06 0.00 0.00 61.00 61.09 3mxq s PRO 84 Cb 0.28 0.52 -0.07 0.00 0.06 0.00 0.00 34.50 35.29 3mxq s PRO 84 CO 0.01 -0.45 3.05 0.72 0.06 0.00 0.00 177.00 180.39 3mxq n HIS 85 N 0.01 0.86 0.00 0.56 8.25 -1.26 -5.10 115.22 118.54 3mxq n HIS 85 Ca -0.16 -1.72 0.00 0.00 -0.26 0.00 0.00 57.72 55.58 3mxq n HIS 85 Cb 0.62 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.32 3mxq n HIS 85 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3mxq n LEU 86 N 1.54 1.54 0.00 2.41 4.77 -1.26 -2.58 117.00 123.42 3mxq n LEU 86 Ca 0.43 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3mxq n LEU 86 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3mxq n LEU 86 CO 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.29 3mxq n TYR 103 N -0.28 0.00 -5.26 -1.77 0.18 -1.26 -5.00 117.16 103.77 3mxq n TYR 103 Ca 0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.47 3mxq n TYR 103 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 3mxq n TYR 103 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3mxq s GLN 104 N 0.78 2.21 0.01 -3.48 -0.21 -1.25 -0.91 119.66 116.80 3mxq s GLN 104 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.50 3mxq s GLN 104 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 3mxq s GLN 104 CO 0.00 0.54 -0.01 -0.80 -2.12 0.00 0.00 175.29 172.90 3mxq s ASN 105 N -0.56 5.02 0.07 5.90 0.01 -0.63 -4.80 114.94 119.93 3mxq s ASN 105 Ca 0.08 -0.06 0.08 0.00 -0.71 0.00 0.00 52.86 52.25 3mxq s ASN 105 Cb -0.11 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.26 3mxq s ASN 105 CO -0.00 0.26 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.43 3mxq s LEU 106 N -1.65 2.22 -0.01 0.60 2.96 -1.12 -0.87 118.68 120.81 3mxq s LEU 106 Ca 0.20 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3mxq s LEU 106 Cb -0.11 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.65 3mxq s LEU 106 CO 0.11 0.12 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.53 3mxq s GLU 107 N -1.46 0.30 -0.16 1.98 2.12 0.09 -1.58 118.70 119.99 3mxq s GLU 107 Ca 0.07 -0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 3mxq s GLU 107 Cb -0.09 -0.34 0.05 0.00 0.26 0.00 0.00 34.13 34.01 3mxq s GLU 107 CO 0.03 0.01 0.01 0.08 -0.54 0.00 0.00 175.26 174.85 3mxq s VAL 108 N 0.24 0.65 -0.17 3.70 1.01 -1.14 -1.19 120.40 123.49 3mxq s VAL 108 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3mxq s VAL 108 Cb -0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3mxq s VAL 108 CO -0.01 -0.04 -0.09 -0.63 0.00 0.00 0.00 175.10 174.33 3mxq s ILE 109 N 1.82 3.22 0.35 2.22 1.09 0.22 -2.06 121.20 128.05 3mxq s ILE 109 Ca 0.00 -0.58 -0.27 0.00 -1.10 0.00 0.00 60.65 58.71 3mxq s ILE 109 Cb -0.16 -2.40 -0.09 0.00 -1.06 0.00 0.00 42.46 38.75 3mxq s ILE 109 CO -0.07 0.48 1.13 -2.16 -0.10 0.00 0.00 174.94 174.22 3mxq s PRO 110 N 0.86 4.30 -0.26 2.79 0.04 -1.26 0.78 135.00 142.24 3mxq s PRO 110 Ca -0.03 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 3mxq s PRO 110 Cb -0.15 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.57 3mxq s PRO 110 CO 0.01 -0.09 -0.02 0.42 0.04 0.00 0.00 177.00 177.36 3mxq s ILE 111 N -1.36 3.15 -0.01 0.56 1.01 0.29 -4.88 121.20 119.95 3mxq s ILE 111 Ca 0.52 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 3mxq s ILE 111 Cb -0.30 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3mxq s ILE 111 CO 0.38 0.15 1.11 -1.00 0.00 0.00 0.00 174.94 175.58 3mxq s HIS 112 N 1.36 3.46 0.94 3.97 3.76 -1.26 -3.65 115.29 123.87 3mxq s HIS 112 Ca 0.00 1.44 -0.12 0.00 -0.15 0.00 0.00 55.06 56.23 3mxq s HIS 112 Cb -0.17 -3.30 0.15 0.00 1.11 0.00 0.00 32.58 30.37 3mxq s HIS 112 CO -0.03 -0.76 1.10 -1.12 -0.85 0.00 0.00 174.74 173.08 3mxq s SER 113 N 1.15 3.18 0.53 1.40 0.01 0.22 -4.87 113.70 115.32 3mxq s SER 113 Ca 0.55 1.25 0.20 0.00 1.31 0.00 0.00 55.95 59.26 3mxq s SER 113 Cb -0.24 -1.91 1.33 0.00 0.21 0.00 0.00 66.02 65.41 3mxq s SER 113 CO 0.26 -2.79 2.08 -0.33 0.41 0.00 0.00 173.24 172.86 3mxq h GLU 114 N -1.66 0.00 0.00 12.44 5.08 -1.97 0.14 114.58 128.62 3mxq h GLU 114 Ca -0.52 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 3mxq h GLU 114 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3mxq h GLU 114 CO 0.58 0.00 -0.47 0.38 -1.00 0.00 0.00 179.01 178.50 3mxq h ASP 115 N 0.00 0.00 0.00 1.42 -0.00 -2.04 -3.47 116.42 112.33 3mxq h ASP 115 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 3mxq h ASP 115 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.80 3mxq h ASP 115 CO -0.00 0.47 0.00 0.61 -0.00 0.00 0.00 179.24 180.32 3mxq n GLY 116 N 0.52 1.64 3.75 7.15 0.00 0.50 -5.11 105.19 113.64 3mxq n GLY 116 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mxq n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mxq s THR 117 N -1.91 4.33 -0.14 2.61 -4.23 -1.26 -4.57 115.64 110.47 3mxq s THR 117 Ca 0.00 1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 62.15 3mxq s THR 117 Cb 0.00 -4.26 -0.01 0.00 1.34 0.00 0.00 72.50 69.58 3mxq s THR 117 CO 0.00 0.44 1.05 -0.63 -0.54 0.00 0.00 174.62 174.94 3mxq s ILE 118 N -0.74 4.67 0.00 2.99 1.09 -1.26 -0.61 121.20 127.35 3mxq s ILE 118 Ca 0.41 1.97 0.00 0.00 -1.10 0.00 0.00 60.65 61.93 3mxq s ILE 118 Cb -0.24 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 36.89 3mxq s ILE 118 CO 0.29 -0.06 0.37 -0.62 -0.10 0.00 0.00 174.94 174.82 3mxq n GLU 119 N 5.53 -0.43 -3.85 2.79 1.02 -1.24 -4.96 120.64 119.50 3mxq n GLU 119 Ca 0.10 -0.40 -0.12 0.00 -0.02 0.00 0.00 57.16 56.73 3mxq n GLU 119 Cb 0.47 -0.83 -0.12 0.00 -0.02 0.00 0.00 31.44 30.95 3mxq n GLU 119 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mxq s HIS 120 N -0.06 -0.06 0.04 -0.32 3.76 -1.25 -1.30 115.29 116.11 3mxq s HIS 120 Ca 0.00 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.13 3mxq s HIS 120 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.67 3mxq s HIS 120 CO 0.00 -0.14 -0.23 0.14 -0.85 0.00 0.00 174.74 173.66 3mxq s VAL 121 N -0.46 1.89 -0.02 -0.90 -7.23 -0.33 0.10 120.40 113.45 3mxq s VAL 121 Ca -0.05 -1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 3mxq s VAL 121 Cb -0.03 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 3mxq s VAL 121 CO 0.00 0.28 0.50 0.00 -0.31 0.00 0.00 175.10 175.58 3mxq s LEU 123 N -0.39 1.89 -0.06 0.00 1.02 0.09 -0.61 118.68 120.61 3mxq s LEU 123 Ca 0.27 -0.52 0.03 0.00 0.02 0.00 0.00 54.13 53.94 3mxq s LEU 123 Cb -0.17 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.78 3mxq s LEU 123 CO 0.14 0.03 -0.17 0.00 0.02 0.00 0.00 176.35 176.38 3mxq s VAL 125 N 0.34 2.01 -0.11 0.00 1.01 -0.67 -0.73 120.40 122.25 3mxq s VAL 125 Ca -0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 3mxq s VAL 125 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3mxq s VAL 125 CO 0.04 0.55 -0.08 -0.31 0.00 0.00 0.00 175.10 175.30 3mxq s TYR 126 N 0.52 2.92 0.26 5.22 2.02 -0.05 -1.19 117.35 127.05 3mxq s TYR 126 Ca -0.15 -0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 3mxq s TYR 126 Cb -0.17 -1.81 -0.09 0.00 -0.40 0.00 0.00 41.96 39.48 3mxq s TYR 126 CO 0.05 0.09 0.98 -0.51 -1.57 0.00 0.00 175.55 174.59 3mxq s ASP 127 N -0.18 7.53 0.00 2.29 1.11 -1.26 -1.61 116.67 124.55 3mxq s ASP 127 Ca 0.02 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.77 3mxq s ASP 127 Cb -0.13 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.25 3mxq s ASP 127 CO 0.03 0.06 0.19 0.52 1.18 0.00 0.00 175.17 177.16