#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxd s SER 2 N 0.00 3.77 -0.12 0.00 1.04 -1.26 -4.97 113.70 112.16 1gxd s SER 2 Ca 0.00 -2.56 -0.19 0.00 0.48 0.00 0.00 55.95 53.68 1gxd s SER 2 Cb 0.00 -1.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 1gxd s SER 2 CO 0.00 -0.28 0.53 0.00 0.98 0.00 0.00 173.24 174.47 1gxd s SER 4 N 0.74 5.60 0.37 0.00 0.01 -1.26 -5.02 113.70 114.14 1gxd s SER 4 Ca 0.28 1.89 -0.25 0.00 1.31 0.00 0.00 55.95 59.18 1gxd s SER 4 Cb -0.16 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1gxd s SER 4 CO 0.12 -1.29 1.04 -2.84 0.41 0.00 0.00 173.24 170.68 1gxd s PRO 5 N -4.02 4.31 0.05 12.44 0.02 -1.26 -5.07 135.00 141.47 1gxd s PRO 5 Ca 0.65 1.53 -0.25 0.00 0.02 0.00 0.00 61.00 62.94 1gxd s PRO 5 Cb -0.18 -2.69 0.06 0.00 0.02 0.00 0.00 34.50 31.72 1gxd s PRO 5 CO 0.37 -0.01 0.60 0.14 -0.33 0.00 0.00 177.00 177.77 1gxd s VAL 6 N -1.57 0.01 0.01 3.83 -7.23 -1.26 -5.09 120.40 109.09 1gxd s VAL 6 Ca 0.54 -0.09 -0.27 0.00 -1.81 0.00 0.00 61.98 60.35 1gxd s VAL 6 Cb -0.23 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1gxd s VAL 6 CO 0.29 -0.05 0.86 -2.28 -0.31 0.00 0.00 175.10 173.61 1gxd s HIS 7 N -2.43 3.67 -0.37 2.82 2.46 -1.26 -4.90 115.29 115.29 1gxd s HIS 7 Ca -0.05 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1gxd s HIS 7 Cb -0.01 -2.96 0.00 0.00 -0.13 0.00 0.00 32.58 29.48 1gxd s HIS 7 CO -0.01 0.11 0.17 -2.30 -2.47 0.00 0.00 174.74 170.23 1gxd n PRO 8 N 3.48 0.00 -0.08 2.88 -0.02 -1.26 -0.07 135.00 139.93 1gxd n PRO 8 Ca 0.02 0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 1gxd n PRO 8 Cb 0.51 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.35 1gxd n PRO 8 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1gxd h GLN 9 N 0.00 0.00 -0.99 -0.52 4.15 -1.90 -3.34 115.11 112.51 1gxd h GLN 9 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.69 1gxd h GLN 9 Cb 0.11 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.67 1gxd h GLN 9 CO 0.00 0.68 0.57 1.96 -1.93 0.00 0.00 178.83 180.11 1gxd h GLN 10 N -1.00 0.47 -0.15 1.69 1.08 -0.87 -0.49 115.11 115.84 1gxd h GLN 10 Ca -0.16 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 1gxd h GLN 10 Cb 0.93 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.21 1gxd h GLN 10 CO -0.10 0.31 -0.34 0.00 -0.95 0.00 0.00 178.83 177.75 1gxd h ALA 11 N 1.77 -0.67 0.00 3.87 0.00 -1.69 1.88 119.26 124.42 1gxd h ALA 11 Ca 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1gxd h ALA 11 Cb 1.35 0.89 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1gxd h ALA 11 CO -0.52 -0.81 0.00 0.34 0.00 0.00 0.00 179.25 178.26 1gxd n PHE 12 N -4.33 0.00 -0.08 0.00 7.35 -0.25 -0.50 117.46 119.65 1gxd n PHE 12 Ca -0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.49 1gxd n PHE 12 Cb 0.22 -0.12 -0.06 0.00 0.35 0.00 0.00 39.48 39.88 1gxd n PHE 12 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gxd h ASN 14 N -0.53 0.00 -3.48 0.00 4.21 0.29 -3.45 115.58 112.62 1gxd h ASN 14 Ca -0.39 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.58 1gxd h ASN 14 Cb 1.36 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.52 1gxd h ASN 14 CO -0.23 0.00 0.22 0.00 -1.29 0.00 0.00 177.43 176.13 1gxd s ALA 15 N -3.22 3.34 0.04 -0.83 0.00 0.34 -4.99 121.76 116.45 1gxd s ALA 15 Ca 0.07 0.38 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1gxd s ALA 15 Cb 0.07 -3.08 -0.17 0.00 0.00 0.00 0.00 23.12 19.95 1gxd s ALA 15 CO 0.63 0.06 1.48 -0.44 0.00 0.00 0.00 175.76 177.49 1gxd h ASP 16 N 5.52 -0.33 -4.06 0.00 3.32 -1.81 -3.45 116.42 115.60 1gxd h ASP 16 Ca -0.44 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.17 1gxd h ASP 16 Cb 1.21 0.09 -0.27 0.00 0.22 0.00 0.00 39.33 40.57 1gxd h ASP 16 CO 0.71 -0.09 -0.76 0.54 -1.72 0.00 0.00 179.24 177.92 1gxd s VAL 17 N -5.41 0.52 -0.07 -1.35 0.11 -1.26 -1.62 120.40 111.31 1gxd s VAL 17 Ca -0.15 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1gxd s VAL 17 Cb 0.03 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1gxd s VAL 17 CO 0.61 0.07 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.73 1gxd s VAL 18 N -0.33 0.53 0.17 2.04 1.01 -0.12 -3.88 120.40 119.82 1gxd s VAL 18 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1gxd s VAL 18 Cb -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1gxd s VAL 18 CO -0.00 0.27 0.49 0.27 0.00 0.00 0.00 175.10 176.13 1gxd s ILE 19 N 1.56 0.04 -0.47 2.22 -0.00 -0.78 0.30 121.20 124.06 1gxd s ILE 19 Ca -0.01 -0.60 -0.16 0.00 -0.00 0.00 0.00 60.65 59.88 1gxd s ILE 19 Cb -0.13 -1.36 0.07 0.00 -0.00 0.00 0.00 42.46 41.04 1gxd s ILE 19 CO -0.04 -0.17 0.44 0.00 -0.00 0.00 0.00 174.94 175.17 1gxd s ARG 20 N -3.83 3.01 0.53 0.37 1.70 -1.19 -3.50 118.95 116.03 1gxd s ARG 20 Ca 0.06 -1.22 0.05 0.00 -0.47 0.00 0.00 55.73 54.15 1gxd s ARG 20 Cb 0.00 -4.11 0.02 0.00 -0.57 0.00 0.00 34.95 30.29 1gxd s ARG 20 CO -0.07 -1.04 0.32 0.00 -1.08 0.00 0.00 175.30 173.43 1gxd s ALA 21 N 1.85 4.32 0.20 7.88 0.00 0.65 -1.73 121.76 134.93 1gxd s ALA 21 Ca 0.06 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1gxd s ALA 21 Cb -0.23 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1gxd s ALA 21 CO 0.08 -0.35 0.45 0.21 0.00 0.00 0.00 175.76 176.15 1gxd s LYS 22 N -4.19 1.35 -0.32 0.00 2.20 -1.24 -0.99 119.74 116.55 1gxd s LYS 22 Ca 0.30 -1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 54.79 1gxd s LYS 22 Cb -0.01 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 1gxd s LYS 22 CO 0.18 -0.55 0.17 0.00 -0.36 0.00 0.00 175.35 174.79 1gxd s ALA 23 N -3.92 3.33 -0.14 3.13 0.00 -1.26 -2.90 121.76 119.99 1gxd s ALA 23 Ca 0.14 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 1gxd s ALA 23 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 1gxd s ALA 23 CO 0.00 -0.90 0.01 0.28 0.00 0.00 0.00 175.76 175.15 1gxd h VAL 24 N 5.62 0.28 -2.91 0.00 2.07 -0.36 -3.10 116.25 117.85 1gxd h VAL 24 Ca -0.32 -1.28 -0.32 0.00 0.82 0.00 0.00 66.70 65.61 1gxd h VAL 24 Cb 1.15 0.59 -0.36 0.00 -1.52 0.00 0.00 31.29 31.15 1gxd h VAL 24 CO 0.62 0.09 -0.64 -0.94 0.02 0.00 0.00 177.57 176.72 1gxd s SER 25 N -5.87 1.11 0.14 0.57 1.04 -1.25 -4.25 113.70 105.20 1gxd s SER 25 Ca -0.12 0.06 -0.33 0.00 0.48 0.00 0.00 55.95 56.04 1gxd s SER 25 Cb 0.01 0.26 -0.12 0.00 0.10 0.00 0.00 66.02 66.27 1gxd s SER 25 CO 0.24 -0.28 1.72 -1.84 0.98 0.00 0.00 173.24 174.06 1gxd n GLU 26 N 5.32 2.52 -1.83 4.02 0.28 -1.26 -1.87 120.64 127.82 1gxd n GLU 26 Ca -0.05 0.91 -0.37 0.00 -0.16 0.00 0.00 57.16 57.49 1gxd n GLU 26 Cb 0.50 -2.75 -0.04 0.00 1.43 0.00 0.00 31.44 30.58 1gxd n GLU 26 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1gxd n LYS 27 N 4.48 2.02 -0.30 3.44 4.76 1.66 -4.78 118.16 129.43 1gxd n LYS 27 Ca 0.17 -2.44 -0.08 0.00 -2.87 0.00 0.00 58.31 53.09 1gxd n LYS 27 Cb 0.33 -3.38 -0.03 0.00 -1.84 0.00 0.00 35.03 30.11 1gxd n LYS 27 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1gxd n GLU 28 N 7.64 0.00 -0.19 1.97 4.07 -1.25 -3.10 120.64 129.77 1gxd n GLU 28 Ca 0.48 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.51 1gxd n GLU 28 Cb 0.44 -0.30 -0.02 0.00 -0.06 0.00 0.00 31.44 31.50 1gxd n GLU 28 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1gxd n VAL 29 N 1.50 0.00 -3.02 6.31 0.31 -1.23 -4.85 118.33 117.35 1gxd n VAL 29 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.39 1gxd n VAL 29 Cb 0.01 -0.07 0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1gxd n VAL 29 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1gxd n ASP 30 N 1.23 0.83 -3.94 4.52 2.03 -1.24 -4.72 116.55 115.26 1gxd n ASP 30 Ca 0.08 -1.60 -0.27 0.00 0.52 0.00 0.00 54.79 53.52 1gxd n ASP 30 Cb 0.00 -0.17 0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1gxd n ASP 30 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1gxd n SER 31 N -2.74 -2.68 0.00 1.67 3.41 -1.26 -4.18 113.62 107.84 1gxd n SER 31 Ca 0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1gxd n SER 31 Cb 0.23 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1gxd n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gxd n GLY 32 N 2.87 -1.22 3.60 5.00 0.00 -1.11 -4.58 105.19 109.74 1gxd n GLY 32 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 1gxd n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gxd s ASN 33 N -4.00 -0.31 0.00 1.61 -0.87 -1.26 -2.27 114.94 107.85 1gxd s ASN 33 Ca 0.00 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.13 1gxd s ASN 33 Cb 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 41.25 41.68 1gxd s ASN 33 CO 0.00 -0.77 0.00 -0.67 -2.57 0.00 0.00 177.10 173.09 1gxd n ASP 34 N -0.34 0.00 -0.03 -1.22 -0.08 -0.54 -4.30 116.55 110.03 1gxd n ASP 34 Ca -0.08 -0.50 -0.01 0.00 -1.51 0.00 0.00 54.79 52.69 1gxd n ASP 34 Cb 0.62 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.06 1gxd n ASP 34 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1gxd h ILE 35 N 0.50 0.00 -0.13 5.18 2.04 -2.02 0.16 117.51 123.24 1gxd h ILE 35 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1gxd h ILE 35 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1gxd h ILE 35 CO 0.00 0.00 0.28 1.88 0.00 0.00 0.00 178.15 180.31 1gxd h TYR 36 N -0.02 0.00 0.00 1.37 0.05 -2.03 -3.46 116.97 112.88 1gxd h TYR 36 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1gxd h TYR 36 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1gxd h TYR 36 CO -0.79 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 176.73 1gxd n GLY 37 N -1.30 2.38 0.81 3.88 0.00 0.57 -5.09 105.19 106.44 1gxd n GLY 37 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1gxd n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gxd n ASN 38 N 0.00 -0.64 -4.65 1.61 6.94 -1.26 -1.47 115.26 115.78 1gxd n ASN 38 Ca 0.00 0.21 -0.42 0.00 -0.02 0.00 0.00 54.58 54.35 1gxd n ASN 38 Cb 0.00 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1gxd n ASN 38 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1gxd n PRO 39 N 0.32 1.69 -2.51 -0.53 -0.04 -1.18 -2.73 135.00 130.02 1gxd n PRO 39 Ca 0.03 0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 1gxd n PRO 39 Cb 0.09 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 1gxd n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1gxd s ILE 40 N -1.18 4.02 -0.14 0.52 1.01 -0.96 -4.55 121.20 119.93 1gxd s ILE 40 Ca 0.60 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.82 1gxd s ILE 40 Cb -0.57 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 37.84 1gxd s ILE 40 CO 0.59 0.21 -0.01 -0.54 0.00 0.00 0.00 174.94 175.19 1gxd s LYS 41 N 0.22 3.58 -0.17 2.79 1.02 -1.26 -2.77 119.74 123.15 1gxd s LYS 41 Ca 0.53 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.99 1gxd s LYS 41 Cb -0.29 -2.95 0.08 0.00 -0.52 0.00 0.00 37.83 34.16 1gxd s LYS 41 CO 0.32 0.36 0.37 1.03 -0.92 0.00 0.00 175.35 176.51 1gxd s ARG 42 N 0.07 0.27 0.46 1.68 1.81 -1.26 -2.97 118.95 119.02 1gxd s ARG 42 Ca 0.01 0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 54.70 1gxd s ARG 42 Cb -0.13 0.17 -0.08 0.00 -0.45 0.00 0.00 34.95 34.46 1gxd s ARG 42 CO 0.02 -0.25 1.14 0.42 -0.68 0.00 0.00 175.30 175.95 1gxd s ILE 43 N 2.37 3.24 -0.03 1.52 -1.09 0.36 -3.57 121.20 124.01 1gxd s ILE 43 Ca -0.02 0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1gxd s ILE 43 Cb -0.12 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1gxd s ILE 43 CO -0.11 -0.04 0.05 -1.58 -1.23 0.00 0.00 174.94 172.03 1gxd s GLN 44 N -2.76 -0.02 -0.09 2.79 0.74 -1.18 -0.90 119.66 118.24 1gxd s GLN 44 Ca 0.64 0.23 0.01 0.00 0.05 0.00 0.00 55.36 56.29 1gxd s GLN 44 Cb -0.26 -0.24 -0.02 0.00 1.10 0.00 0.00 33.01 33.58 1gxd s GLN 44 CO 0.32 -0.17 -0.13 0.71 -0.55 0.00 0.00 175.29 175.47 1gxd s TYR 45 N 1.11 2.79 -0.28 1.67 1.51 0.55 0.46 117.35 125.16 1gxd s TYR 45 Ca -0.09 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.35 1gxd s TYR 45 Cb -0.13 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1gxd s TYR 45 CO -0.04 0.00 0.86 -2.00 -1.11 0.00 0.00 175.55 173.27 1gxd s GLU 46 N -0.18 4.08 0.19 -0.62 2.12 -0.78 0.52 118.70 124.03 1gxd s GLU 46 Ca 0.00 0.83 0.10 0.00 0.36 0.00 0.00 54.97 56.27 1gxd s GLU 46 Cb -0.13 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1gxd s GLU 46 CO 0.03 -0.65 -0.21 0.96 -0.54 0.00 0.00 175.26 174.85 1gxd s ILE 47 N 3.03 2.16 -0.31 -3.70 -5.25 0.49 0.44 121.20 118.05 1gxd s ILE 47 Ca 0.36 -2.02 0.03 0.00 -0.99 0.00 0.00 60.65 58.02 1gxd s ILE 47 Cb -0.14 -2.03 0.09 0.00 2.95 0.00 0.00 42.46 43.32 1gxd s ILE 47 CO 0.11 -0.22 0.02 -0.75 -1.79 0.00 0.00 174.94 172.31 1gxd s LYS 48 N -2.80 1.50 -0.15 0.37 2.47 -1.14 -4.73 119.74 115.25 1gxd s LYS 48 Ca 0.20 -1.58 -0.29 0.00 -1.56 0.00 0.00 55.97 52.74 1gxd s LYS 48 Cb -0.07 -2.91 -0.01 0.00 -1.46 0.00 0.00 37.83 33.38 1gxd s LYS 48 CO 0.09 -0.85 0.99 -1.14 0.16 0.00 0.00 175.35 174.60 1gxd s GLN 49 N 1.09 4.35 -0.02 4.03 0.74 -1.26 -3.66 119.66 124.93 1gxd s GLN 49 Ca 0.06 1.32 -0.09 0.00 0.05 0.00 0.00 55.36 56.70 1gxd s GLN 49 Cb -0.19 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.30 1gxd s GLN 49 CO -0.10 -0.41 0.56 0.82 -0.55 0.00 0.00 175.29 175.61 1gxd h ILE 50 N 5.22 0.00 -4.32 -2.34 2.04 -1.73 -3.48 117.51 112.90 1gxd h ILE 50 Ca -0.27 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.11 1gxd h ILE 50 Cb 1.12 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.05 1gxd h ILE 50 CO 0.89 0.00 -0.58 -0.75 0.00 0.00 0.00 178.15 177.71 1gxd s LYS 51 N -2.73 0.97 -0.07 2.37 2.20 -1.26 -5.05 119.74 116.17 1gxd s LYS 51 Ca -0.05 -1.38 0.01 0.00 -0.36 0.00 0.00 55.97 54.19 1gxd s LYS 51 Cb 0.00 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1gxd s LYS 51 CO 0.14 -0.29 -0.07 1.41 -0.36 0.00 0.00 175.35 176.18 1gxd s MET 52 N -4.03 2.80 -0.24 4.03 -2.45 -1.26 -3.20 119.30 114.95 1gxd s MET 52 Ca 0.23 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1gxd s MET 52 Cb 0.07 -2.60 0.06 0.00 1.25 0.00 0.00 34.83 33.60 1gxd s MET 52 CO 0.01 0.63 -0.09 -0.06 1.05 0.00 0.00 175.02 176.56 1gxd s PHE 53 N -0.73 2.83 0.00 4.11 0.40 0.87 -4.96 117.98 120.50 1gxd s PHE 53 Ca 0.11 -2.00 0.00 0.00 -0.60 0.00 0.00 56.93 54.44 1gxd s PHE 53 Cb -0.11 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1gxd s PHE 53 CO 0.02 -0.82 0.00 1.17 0.70 0.00 0.00 175.22 176.28 1gxd n LYS 54 N 4.56 0.00 -0.84 0.44 4.81 -1.26 -0.94 118.16 124.92 1gxd n LYS 54 Ca -0.14 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.41 1gxd n LYS 54 Cb 0.44 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.44 1gxd n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gxd n GLY 55 N 0.00 -2.83 3.76 3.14 0.00 -0.64 -4.37 105.19 104.24 1gxd n GLY 55 Ca 0.00 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 1gxd n GLY 55 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gxd s PRO 56 N -3.42 2.81 0.40 1.61 0.02 -1.26 -4.98 135.00 130.18 1gxd s PRO 56 Ca 0.00 1.62 0.12 0.00 0.02 0.00 0.00 61.00 62.76 1gxd s PRO 56 Cb 0.00 -1.93 0.81 0.00 0.02 0.00 0.00 34.50 33.40 1gxd s PRO 56 CO 0.00 -1.28 1.90 0.93 -0.33 0.00 0.00 177.00 178.22 1gxd h GLU 57 N 0.40 0.08 -5.16 5.54 4.39 -2.01 -3.41 114.58 114.42 1gxd h GLU 57 Ca -0.48 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 1gxd h GLU 57 Cb 1.27 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1gxd h GLU 57 CO 0.54 0.33 0.17 0.15 -1.16 0.00 0.00 179.01 179.03 1gxd s LYS 58 N -4.49 1.32 0.20 2.33 1.02 -1.26 -4.87 119.74 114.00 1gxd s LYS 58 Ca -0.04 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 1gxd s LYS 58 Cb 0.15 -5.00 -0.16 0.00 -0.52 0.00 0.00 37.83 32.30 1gxd s LYS 58 CO 0.72 -5.32 0.86 -0.25 -0.92 0.00 0.00 175.35 170.45 1gxd n ASP 59 N 19.13 0.19 -4.68 2.83 9.92 -1.26 -1.64 116.55 141.04 1gxd n ASP 59 Ca 0.42 1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 55.41 1gxd n ASP 59 Cb 0.47 -1.11 -0.03 0.00 -0.64 0.00 0.00 41.12 39.81 1gxd n ASP 59 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1gxd s ILE 60 N -0.74 3.50 -0.16 0.53 -1.09 -1.26 -2.65 121.20 119.33 1gxd s ILE 60 Ca 0.67 0.84 0.11 0.00 -2.23 0.00 0.00 60.65 60.05 1gxd s ILE 60 Cb -0.88 -3.54 -0.18 0.00 -1.58 0.00 0.00 42.46 36.28 1gxd s ILE 60 CO 0.56 -0.02 0.01 -0.62 -1.23 0.00 0.00 174.94 173.64 1gxd n GLU 61 N 5.88 1.30 -3.83 2.79 1.02 -0.98 -4.58 120.64 122.24 1gxd n GLU 61 Ca 0.15 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1gxd n GLU 61 Cb 0.43 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1gxd n GLU 61 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1gxd s PHE 62 N -2.38 -0.04 0.21 -0.32 0.08 -1.15 -0.38 117.98 114.00 1gxd s PHE 62 Ca -0.11 0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 1gxd s PHE 62 Cb 0.05 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 1gxd s PHE 62 CO 0.60 -0.05 0.41 0.42 -0.10 0.00 0.00 175.22 176.50 1gxd s ILE 63 N 0.29 5.18 0.05 0.64 -1.09 0.18 -4.07 121.20 122.38 1gxd s ILE 63 Ca -0.02 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1gxd s ILE 63 Cb -0.03 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1gxd s ILE 63 CO -0.01 -0.17 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.12 1gxd s TYR 64 N -1.88 0.85 -0.07 3.97 1.51 -0.97 0.21 117.35 120.97 1gxd s TYR 64 Ca 0.39 -0.48 -0.18 0.00 -1.01 0.00 0.00 57.07 55.79 1gxd s TYR 64 Cb -0.11 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1gxd s TYR 64 CO 0.29 -0.04 0.43 -0.08 -1.11 0.00 0.00 175.55 175.04 1gxd s THR 65 N -1.33 0.03 0.70 -0.71 -1.32 -0.08 -1.18 115.64 111.75 1gxd s THR 65 Ca -0.07 -0.23 -0.17 0.00 -1.21 0.00 0.00 61.69 60.01 1gxd s THR 65 Cb -0.10 -0.70 -0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1gxd s THR 65 CO 0.01 -0.13 0.20 0.00 -2.21 0.00 0.00 174.62 172.49 1gxd n ALA 66 N 1.68 -2.40 -0.23 11.08 0.00 -1.26 -0.48 120.51 128.90 1gxd n ALA 66 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1gxd n ALA 66 Cb 0.56 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1gxd n ALA 66 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gxd n PRO 67 N 0.24 0.00 -3.83 0.00 -0.02 -1.16 -4.35 135.00 125.88 1gxd n PRO 67 Ca 0.08 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.83 1gxd n PRO 67 Cb 0.50 -1.39 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 1gxd n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gxd s SER 68 N -2.45 6.43 0.29 2.55 0.15 -1.26 -4.75 113.70 114.67 1gxd s SER 68 Ca 0.00 0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.16 1gxd s SER 68 Cb 0.00 -2.05 0.75 0.00 -1.71 0.00 0.00 66.02 63.00 1gxd s SER 68 CO 0.00 0.29 1.70 -1.28 1.20 0.00 0.00 173.24 175.14 1gxd h SER 69 N 4.11 0.35 -0.90 5.45 0.87 -1.85 0.11 113.55 121.69 1gxd h SER 69 Ca -0.51 0.16 0.23 0.00 -1.23 0.00 0.00 61.79 60.44 1gxd h SER 69 Cb 1.20 0.13 -0.16 0.00 -0.44 0.00 0.00 62.40 63.13 1gxd h SER 69 CO 0.66 -0.00 0.04 0.00 -0.53 0.00 0.00 176.83 177.00 1gxd h ALA 70 N 1.72 1.05 0.18 6.23 0.00 -1.96 -0.17 119.26 126.31 1gxd h ALA 70 Ca 0.57 0.29 -0.29 0.00 0.00 0.00 0.00 54.91 55.48 1gxd h ALA 70 Cb 1.09 0.50 0.02 0.00 0.00 0.00 0.00 17.79 19.40 1gxd h ALA 70 CO -0.53 -0.50 -1.38 -0.39 0.00 0.00 0.00 179.25 176.45 1gxd h VAL 71 N 0.07 1.18 0.00 0.00 -1.51 -1.26 0.57 116.25 115.30 1gxd h VAL 71 Ca 0.53 -2.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.46 1gxd h VAL 71 Cb 1.04 2.93 0.00 0.00 -2.13 0.00 0.00 31.29 33.13 1gxd h VAL 71 CO -0.81 0.77 0.00 0.00 -1.23 0.00 0.00 177.57 176.31 1gxd s GLY 73 N 0.00 1.08 -0.68 0.00 0.00 -0.69 -3.57 107.32 103.46 1gxd s GLY 73 Ca 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 1gxd s GLY 73 CO 0.00 2.43 2.08 -0.62 0.00 0.00 0.00 173.10 176.99 1gxd n VAL 74 N 6.27 3.53 -1.62 1.40 0.31 -1.26 -4.59 118.33 122.37 1gxd n VAL 74 Ca 0.02 -3.22 -0.44 0.00 -0.01 0.00 0.00 64.34 60.69 1gxd n VAL 74 Cb 0.48 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 1gxd n VAL 74 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1gxd n SER 75 N -0.59 3.57 -4.52 4.52 2.88 -1.26 -4.96 113.62 113.26 1gxd n SER 75 Ca 0.56 0.54 -0.25 0.00 -1.33 0.00 0.00 58.87 58.40 1gxd n SER 75 Cb 0.52 -1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.36 1gxd n SER 75 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1gxd s LEU 76 N 6.48 2.45 0.49 2.46 2.34 -1.26 -5.16 118.68 126.48 1gxd s LEU 76 Ca 0.96 -1.40 -0.00 0.00 0.06 0.00 0.00 54.13 53.74 1gxd s LEU 76 Cb -0.43 -0.59 0.01 0.00 -0.56 0.00 0.00 46.19 44.62 1gxd s LEU 76 CO 0.40 -0.57 0.73 -1.81 -1.06 0.00 0.00 176.35 174.03 1gxd s ASP 77 N -3.60 5.68 0.43 1.48 1.11 -1.26 -5.06 116.67 115.44 1gxd s ASP 77 Ca 0.34 0.29 0.03 0.00 0.18 0.00 0.00 52.55 53.39 1gxd s ASP 77 Cb 0.09 -1.42 -0.04 0.00 1.07 0.00 0.00 42.92 42.61 1gxd s ASP 77 CO 0.16 -0.85 0.05 -0.69 1.18 0.00 0.00 175.17 175.02 1gxd s VAL 78 N -2.66 1.14 0.00 -1.27 1.01 -1.26 -4.10 120.40 113.25 1gxd s VAL 78 Ca 0.51 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1gxd s VAL 78 Cb -0.10 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1gxd s VAL 78 CO 0.39 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1gxd n GLY 79 N -0.99 0.67 0.00 4.51 0.00 -1.17 -4.46 105.19 103.75 1gxd n GLY 79 Ca -0.09 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1gxd n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gxd n GLY 80 N 0.00 0.00 0.34 -0.02 0.00 -1.26 -4.74 105.19 99.52 1gxd n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gxd n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gxd n LYS 81 N -1.24 0.00 -3.96 1.61 5.02 -1.26 -5.11 118.16 113.22 1gxd n LYS 81 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1gxd n LYS 81 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1gxd n LYS 81 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1gxd s LYS 82 N -0.77 3.40 0.11 1.97 1.02 -1.26 -5.12 119.74 119.09 1gxd s LYS 82 Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.37 1gxd s LYS 82 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1gxd s LYS 82 CO 0.00 0.50 0.06 -1.21 -0.92 0.00 0.00 175.35 173.78 1gxd s GLU 83 N -3.41 2.76 -0.06 1.68 8.01 -1.26 -4.65 118.70 121.77 1gxd s GLU 83 Ca 0.34 -0.81 -0.03 0.00 0.01 0.00 0.00 54.97 54.49 1gxd s GLU 83 Cb -0.10 -2.63 0.04 0.00 -4.31 0.00 0.00 34.13 27.13 1gxd s GLU 83 CO 0.28 0.53 0.11 0.71 0.01 0.00 0.00 175.26 176.91 1gxd s TYR 84 N -1.48 -0.07 -0.05 1.61 1.51 -0.16 0.34 117.35 119.04 1gxd s TYR 84 Ca 0.29 0.44 0.19 0.00 -1.01 0.00 0.00 57.07 56.98 1gxd s TYR 84 Cb -0.11 -0.34 0.45 0.00 -0.11 0.00 0.00 41.96 41.85 1gxd s TYR 84 CO 0.21 -0.22 1.62 1.25 -1.11 0.00 0.00 175.55 177.30 1gxd h LEU 85 N 8.28 0.00 0.00 -1.29 5.85 -1.69 0.19 115.31 126.65 1gxd h LEU 85 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1gxd h LEU 85 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1gxd h LEU 85 CO 0.18 0.35 0.00 -0.38 -0.34 0.00 0.00 178.44 178.25 1gxd n ILE 86 N -3.30 0.00 -2.29 4.05 5.41 -1.25 -1.86 119.36 120.12 1gxd n ILE 86 Ca 0.01 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 1gxd n ILE 86 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 1gxd n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gxd n ALA 87 N 0.00 5.91 -1.22 -1.39 0.00 -1.24 -4.45 120.51 118.12 1gxd n ALA 87 Ca 0.00 -4.30 -0.29 0.00 0.00 0.00 0.00 53.44 48.85 1gxd n ALA 87 Cb 0.00 -2.80 0.19 0.00 0.00 0.00 0.00 19.45 16.84 1gxd n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gxd s GLY 88 N 0.28 1.57 -0.09 0.00 0.00 -1.25 -4.61 107.32 103.22 1gxd s GLY 88 Ca 0.44 -0.53 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 1gxd s GLY 88 CO -0.03 0.13 1.98 1.25 0.00 0.00 0.00 173.10 176.43 1gxd s LYS 89 N -5.12 3.77 0.00 2.90 2.20 -0.51 -4.14 119.74 118.85 1gxd s LYS 89 Ca 0.66 2.26 -0.30 0.00 -0.36 0.00 0.00 55.97 58.23 1gxd s LYS 89 Cb -0.16 -4.20 -0.07 0.00 -1.51 0.00 0.00 37.83 31.89 1gxd s LYS 89 CO 0.57 -1.36 1.64 0.00 -0.36 0.00 0.00 175.35 175.83 1gxd s ALA 90 N 5.77 3.64 0.06 3.13 0.00 -1.26 -1.43 121.76 131.66 1gxd s ALA 90 Ca 0.89 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.98 1gxd s ALA 90 Cb -0.36 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 1gxd s ALA 90 CO 0.37 -1.24 -0.21 -1.21 0.00 0.00 0.00 175.76 173.47 1gxd s GLU 91 N 3.35 1.91 -0.01 0.00 2.02 1.27 -4.93 118.70 122.31 1gxd s GLU 91 Ca 0.73 -1.07 -0.38 0.00 0.02 0.00 0.00 54.97 54.28 1gxd s GLU 91 Cb -0.36 -2.11 -0.19 0.00 0.10 0.00 0.00 34.13 31.57 1gxd s GLU 91 CO 0.31 0.52 1.02 0.41 0.02 0.00 0.00 175.26 177.53 1gxd n GLY 92 N 1.43 -0.25 2.72 -1.39 0.00 -1.26 -1.83 105.19 104.62 1gxd n GLY 92 Ca -0.16 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 1gxd n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gxd n ASP 93 N 1.48 -7.89 0.00 1.61 8.00 -1.26 -3.51 116.55 114.97 1gxd n ASP 93 Ca 0.19 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.86 1gxd n ASP 93 Cb 0.07 -5.27 0.00 0.00 -0.02 0.00 0.00 41.12 35.90 1gxd n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gxd n GLY 94 N 0.42 0.00 3.70 0.44 0.00 -0.65 -4.74 105.19 104.36 1gxd n GLY 94 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1gxd n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxd s LYS 95 N -1.51 4.19 -0.18 1.61 1.02 -0.76 -2.31 119.74 121.80 1gxd s LYS 95 Ca 0.00 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 1gxd s LYS 95 Cb 0.00 -3.48 0.06 0.00 -0.52 0.00 0.00 37.83 33.89 1gxd s LYS 95 CO 0.00 0.12 0.45 0.00 -0.92 0.00 0.00 175.35 175.00 1gxd s MET 96 N 0.85 0.45 -0.13 1.68 0.23 -1.26 0.39 119.30 121.51 1gxd s MET 96 Ca 0.15 0.82 -0.10 0.00 -1.03 0.00 0.00 55.69 55.53 1gxd s MET 96 Cb -0.13 0.04 -0.05 0.00 -1.53 0.00 0.00 34.83 33.16 1gxd s MET 96 CO 0.05 -0.14 0.20 -1.58 -2.03 0.00 0.00 175.02 171.51 1gxd s HIS 97 N 1.26 3.56 -0.28 3.16 2.46 -0.51 -2.30 115.29 122.63 1gxd s HIS 97 Ca -0.08 0.56 -0.03 0.00 0.47 0.00 0.00 55.06 55.98 1gxd s HIS 97 Cb -0.07 -2.10 0.03 0.00 -0.13 0.00 0.00 32.58 30.31 1gxd s HIS 97 CO -0.12 0.55 -0.00 0.96 -2.47 0.00 0.00 174.74 173.66 1gxd s ILE 98 N -0.51 3.17 -0.19 0.89 -4.36 -0.32 -1.42 121.20 118.46 1gxd s ILE 98 Ca 0.15 -1.10 -0.12 0.00 -0.26 0.00 0.00 60.65 59.32 1gxd s ILE 98 Cb -0.13 -2.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 1gxd s ILE 98 CO 0.04 0.05 0.21 0.42 0.24 0.00 0.00 174.94 175.89 1gxd s THR 99 N 1.34 5.36 0.30 8.37 -4.23 -1.26 -4.49 115.64 121.03 1gxd s THR 99 Ca -0.01 0.36 0.22 0.00 -1.18 0.00 0.00 61.69 61.07 1gxd s THR 99 Cb -0.18 -3.55 0.34 0.00 1.34 0.00 0.00 72.50 70.45 1gxd s THR 99 CO -0.02 0.41 1.08 -0.11 -0.54 0.00 0.00 174.62 175.44 1gxd n LEU 100 N 3.60 0.15 0.00 4.79 0.00 -1.23 0.39 117.00 124.70 1gxd n LEU 100 Ca -0.14 0.97 0.01 0.00 0.00 0.00 0.00 56.01 56.86 1gxd n LEU 100 Cb 0.52 -0.48 0.07 0.00 0.00 0.00 0.00 43.42 43.53 1gxd n LEU 100 CO 0.38 -1.06 0.44 0.00 0.00 0.00 0.00 177.39 177.15 1gxd s ASP 102 N -2.50 6.34 -0.64 0.00 -1.08 1.26 -4.88 116.67 115.19 1gxd s ASP 102 Ca 0.03 0.25 -0.26 0.00 -0.52 0.00 0.00 52.55 52.05 1gxd s ASP 102 Cb 0.02 -1.94 -0.10 0.00 -1.46 0.00 0.00 42.92 39.44 1gxd s ASP 102 CO 0.04 -0.05 2.39 0.12 0.52 0.00 0.00 175.17 178.19 1gxd s PHE 103 N -1.92 1.13 -0.17 -5.34 5.36 -1.26 -4.88 117.98 110.90 1gxd s PHE 103 Ca 0.36 1.73 -0.03 0.00 -0.96 0.00 0.00 56.93 58.03 1gxd s PHE 103 Cb -0.10 -3.54 0.05 0.00 -0.34 0.00 0.00 43.02 39.09 1gxd s PHE 103 CO 0.30 -2.08 0.03 0.42 -1.46 0.00 0.00 175.22 172.43 1gxd s ILE 104 N 13.28 0.45 -0.07 3.12 1.01 -1.26 -3.64 121.20 134.09 1gxd s ILE 104 Ca 0.94 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 1gxd s ILE 104 Cb -0.15 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.44 1gxd s ILE 104 CO 0.17 -0.13 0.18 0.68 0.00 0.00 0.00 174.94 175.84 1gxd s VAL 105 N 1.90 -0.01 0.30 2.92 -7.23 -1.26 -5.00 120.40 112.01 1gxd s VAL 105 Ca 0.00 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 59.94 1gxd s VAL 105 Cb -0.16 -0.26 -0.14 0.00 0.56 0.00 0.00 36.38 36.38 1gxd s VAL 105 CO -0.08 0.02 1.02 -2.65 -0.31 0.00 0.00 175.10 173.10 1gxd n PRO 106 N 3.34 1.38 -0.32 4.82 -0.02 -1.26 -3.99 135.00 138.95 1gxd n PRO 106 Ca -0.16 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 61.95 1gxd n PRO 106 Cb 0.57 -1.87 0.33 0.00 -0.02 0.00 0.00 33.50 32.52 1gxd n PRO 106 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1gxd h TRP 107 N 1.99 0.74 0.00 6.00 2.91 -0.49 -1.46 115.95 125.63 1gxd h TRP 107 Ca -0.40 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.65 1gxd h TRP 107 Cb 1.34 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.81 1gxd h TRP 107 CO 0.47 -0.03 -0.04 -0.44 -1.03 0.00 0.00 178.44 177.37 1gxd h ASP 108 N 0.43 0.00 0.07 2.65 3.32 -1.88 -3.20 116.42 117.81 1gxd h ASP 108 Ca 0.59 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.63 1gxd h ASP 108 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1gxd h ASP 108 CO -0.52 0.04 -0.04 0.71 -1.72 0.00 0.00 179.24 177.71 1gxd h THR 109 N 0.00 1.05 -3.58 0.35 1.35 -1.61 -3.45 112.91 107.03 1gxd h THR 109 Ca -0.00 -0.44 -0.57 0.00 -0.55 0.00 0.00 66.41 64.85 1gxd h THR 109 Cb 0.27 1.34 0.16 0.00 -1.73 0.00 0.00 68.15 68.19 1gxd h THR 109 CO 0.01 0.11 0.16 0.18 -0.25 0.00 0.00 175.52 175.72 1gxd n LEU 110 N -5.04 3.76 -4.95 3.87 4.32 -1.21 -5.01 117.00 112.74 1gxd n LEU 110 Ca -0.08 0.83 -0.23 0.00 -0.02 0.00 0.00 56.01 56.50 1gxd n LEU 110 Cb 0.15 -1.40 0.02 0.00 -1.62 0.00 0.00 43.42 40.57 1gxd n LEU 110 CO 0.33 -1.76 0.35 -0.94 -1.22 0.00 0.00 177.39 174.16 1gxd s SER 111 N -1.20 5.67 0.57 -1.43 1.04 -1.26 -4.88 113.70 112.20 1gxd s SER 111 Ca 0.75 0.31 0.36 0.00 0.48 0.00 0.00 55.95 57.85 1gxd s SER 111 Cb -0.42 -1.44 1.46 0.00 0.10 0.00 0.00 66.02 65.72 1gxd s SER 111 CO 0.48 -0.87 1.70 0.74 0.98 0.00 0.00 173.24 176.27 1gxd h THR 112 N 0.21 0.26 0.11 2.02 2.02 -1.95 0.64 112.91 116.23 1gxd h THR 112 Ca -0.45 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.47 1gxd h THR 112 Cb 1.26 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1gxd h THR 112 CO 0.57 0.00 -1.33 0.71 0.37 0.00 0.00 175.52 175.84 1gxd h THR 113 N 0.00 1.07 -0.74 3.16 1.35 -1.92 -3.34 112.91 112.49 1gxd h THR 113 Ca 0.54 -2.39 0.09 0.00 -0.55 0.00 0.00 66.41 64.10 1gxd h THR 113 Cb 2.41 2.74 -0.07 0.00 -1.73 0.00 0.00 68.15 71.50 1gxd h THR 113 CO -0.01 0.68 0.39 1.56 -0.25 0.00 0.00 175.52 177.90 1gxd h GLN 114 N -0.36 0.65 0.40 4.72 4.20 -1.03 -2.78 115.11 120.91 1gxd h GLN 114 Ca -0.29 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1gxd h GLN 114 Cb 1.71 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1gxd h GLN 114 CO 0.05 0.43 -0.19 0.87 -0.67 0.00 0.00 178.83 179.32 1gxd h LYS 115 N 0.67 -0.52 0.00 1.46 1.57 -1.67 -3.05 116.57 115.04 1gxd h LYS 115 Ca 0.36 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1gxd h LYS 115 Cb 0.34 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1gxd h LYS 115 CO -0.25 -0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.00 1gxd n LYS 116 N -5.26 0.00 0.00 3.15 4.76 -1.07 -0.86 118.16 118.89 1gxd n LYS 116 Ca -0.11 0.35 0.14 0.00 -2.87 0.00 0.00 58.31 55.82 1gxd n LYS 116 Cb 0.27 -1.50 0.61 0.00 -1.84 0.00 0.00 35.03 32.56 1gxd n LYS 116 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1gxd n SER 117 N -1.35 0.74 0.07 4.39 3.41 -1.10 -4.05 113.62 115.73 1gxd n SER 117 Ca 0.00 -0.93 -0.07 0.00 -0.26 0.00 0.00 58.87 57.62 1gxd n SER 117 Cb 0.00 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 1gxd n SER 117 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gxd h LEU 118 N 1.03 0.35 0.06 1.04 3.38 -1.16 -2.56 115.31 117.45 1gxd h LEU 118 Ca 0.00 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1gxd h LEU 118 Cb 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gxd h LEU 118 CO 0.00 0.90 -0.98 0.78 0.09 0.00 0.00 178.44 179.23 1gxd h ASN 119 N 0.21 0.21 0.00 -0.43 2.35 -1.80 -3.46 115.58 112.67 1gxd h ASN 119 Ca -0.01 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 1gxd h ASN 119 Cb 1.19 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1gxd h ASN 119 CO 0.11 1.42 -0.42 1.41 -1.65 0.00 0.00 177.43 178.29 1gxd n HIS 120 N -4.23 0.00 0.00 1.19 8.25 -1.26 -4.88 115.22 114.30 1gxd n HIS 120 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1gxd n HIS 120 Cb 0.74 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1gxd n HIS 120 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1gxd n ARG 121 N -2.25 0.00 -0.22 -0.41 0.63 -1.24 -2.45 116.66 110.71 1gxd n ARG 121 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1gxd n ARG 121 Cb 0.21 -0.40 0.21 0.00 0.45 0.00 0.00 32.46 32.93 1gxd n ARG 121 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1gxd n TYR 122 N 0.00 0.44 0.10 -0.14 4.01 -0.96 0.16 117.16 120.77 1gxd n TYR 122 Ca 0.00 0.76 0.06 0.00 -0.16 0.00 0.00 57.90 58.56 1gxd n TYR 122 Cb 0.00 -1.00 0.32 0.00 -0.31 0.00 0.00 39.34 38.35 1gxd n TYR 122 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1gxd n GLN 123 N -4.79 0.08 0.04 -0.72 -0.06 -1.11 -1.54 117.38 109.28 1gxd n GLN 123 Ca 0.16 0.55 0.11 0.00 -2.00 0.00 0.00 57.00 55.82 1gxd n GLN 123 Cb 0.52 -1.83 0.06 0.00 -4.06 0.00 0.00 30.24 24.93 1gxd n GLN 123 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1gxd n MET 124 N -1.90 0.32 -0.59 3.69 2.81 0.43 -4.33 117.12 117.54 1gxd n MET 124 Ca -0.01 0.03 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1gxd n MET 124 Cb 0.09 -1.63 0.23 0.00 -0.71 0.00 0.00 33.22 31.20 1gxd n MET 124 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1gxd n GLY 125 N 1.35 4.42 0.10 3.03 0.00 -0.59 -3.72 105.19 109.77 1gxd n GLY 125 Ca 0.02 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 1gxd n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxd n GLU 127 N -3.47 0.72 -4.25 0.00 1.02 -1.26 -4.71 120.64 108.70 1gxd n GLU 127 Ca -0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1gxd n GLU 127 Cb 0.80 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.83 1gxd n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxd s LYS 129 N -2.71 2.45 -0.45 0.00 1.02 -1.25 -5.03 119.74 113.77 1gxd s LYS 129 Ca 0.09 -1.42 0.05 0.00 0.02 0.00 0.00 55.97 54.71 1gxd s LYS 129 Cb -0.05 -2.66 0.18 0.00 -0.52 0.00 0.00 37.83 34.78 1gxd s LYS 129 CO 0.03 -0.69 0.48 0.42 -0.92 0.00 0.00 175.35 174.67 1gxd s ILE 130 N -2.60 -0.17 0.31 2.17 1.01 -1.26 -4.10 121.20 116.56 1gxd s ILE 130 Ca 0.60 -1.99 -0.28 0.00 0.00 0.00 0.00 60.65 58.98 1gxd s ILE 130 Cb -0.07 -0.78 -0.13 0.00 0.01 0.00 0.00 42.46 41.48 1gxd s ILE 130 CO 0.37 -0.77 1.05 0.41 0.00 0.00 0.00 174.94 176.00 1gxd n THR 131 N 2.94 2.03 -4.06 2.92 -1.04 -0.78 -4.77 114.28 111.51 1gxd n THR 131 Ca 0.25 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.41 1gxd n THR 131 Cb 0.51 -1.11 -0.12 0.00 -1.82 0.00 0.00 70.33 67.79 1gxd n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gxd s ARG 132 N -1.65 3.68 -0.15 -2.82 1.70 -1.26 0.43 118.95 118.88 1gxd s ARG 132 Ca 0.58 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 55.06 1gxd s ARG 132 Cb -0.66 -3.11 -0.02 0.00 -0.57 0.00 0.00 34.95 30.58 1gxd s ARG 132 CO 0.60 0.05 1.29 0.00 -1.08 0.00 0.00 175.30 176.16 1gxd n PRO 134 N 6.59 0.00 -4.13 0.00 -0.02 -1.26 -4.75 135.00 131.44 1gxd n PRO 134 Ca 0.14 0.07 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 1gxd n PRO 134 Cb 0.45 -1.01 -0.15 0.00 -0.02 0.00 0.00 33.50 32.77 1gxd n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gxd s MET 135 N -1.14 0.51 -0.03 -0.52 0.23 -1.26 -4.86 119.30 112.22 1gxd s MET 135 Ca 0.00 -0.12 -0.36 0.00 -1.03 0.00 0.00 55.69 54.18 1gxd s MET 135 Cb 0.00 -0.54 -0.14 0.00 -1.53 0.00 0.00 34.83 32.63 1gxd s MET 135 CO 0.00 0.02 1.70 -0.89 -2.03 0.00 0.00 175.02 173.82 1gxd n ILE 136 N 3.44 0.29 -3.95 3.16 5.41 -1.26 -3.13 119.36 123.32 1gxd n ILE 136 Ca -0.19 -0.05 -0.36 0.00 1.00 0.00 0.00 62.75 63.15 1gxd n ILE 136 Cb 0.55 -1.51 -0.07 0.00 -0.71 0.00 0.00 39.64 37.90 1gxd n ILE 136 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1gxd s PRO 137 N 2.62 3.48 0.15 0.38 0.05 -1.26 -5.21 135.00 135.21 1gxd s PRO 137 Ca 0.89 -0.19 0.05 0.00 0.05 0.00 0.00 61.00 61.79 1gxd s PRO 137 Cb -0.80 -3.16 -0.04 0.00 0.05 0.00 0.00 34.50 30.55 1gxd s PRO 137 CO 0.50 0.69 -0.11 0.00 0.05 0.00 0.00 177.00 178.12 1gxd s TYR 139 N -3.10 1.39 -0.04 0.00 1.51 -1.26 -5.14 117.35 110.71 1gxd s TYR 139 Ca 0.16 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1gxd s TYR 139 Cb 0.01 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1gxd s TYR 139 CO 0.01 -0.36 -0.02 0.42 -1.11 0.00 0.00 175.55 174.49 1gxd s ILE 140 N -3.81 0.35 -0.11 2.71 1.01 -1.26 -5.02 121.20 115.07 1gxd s ILE 140 Ca 0.35 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1gxd s ILE 140 Cb 0.07 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1gxd s ILE 140 CO 0.11 0.18 -0.23 -0.24 0.00 0.00 0.00 174.94 174.77 1gxd n SER 141 N 4.11 1.27 -4.68 3.58 2.88 -1.26 -5.01 113.62 114.51 1gxd n SER 141 Ca -0.25 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 1gxd n SER 141 Cb 0.51 -0.65 0.01 0.00 -0.75 0.00 0.00 64.21 63.32 1gxd n SER 141 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gxd n SER 142 N -3.78 2.35 0.00 -3.46 3.41 -1.26 -4.87 113.62 106.01 1gxd n SER 142 Ca -0.09 1.13 0.04 0.00 -0.26 0.00 0.00 58.87 59.68 1gxd n SER 142 Cb 0.33 -1.46 0.17 0.00 -0.26 0.00 0.00 64.21 62.99 1gxd n SER 142 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1gxd n PRO 143 N 0.22 0.02 0.00 4.33 -0.02 -1.26 -2.24 135.00 136.05 1gxd n PRO 143 Ca 0.07 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1gxd n PRO 143 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1gxd n PRO 143 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1gxd n ASP 144 N -1.46 1.23 -4.80 2.55 5.75 -1.26 -0.86 116.55 117.71 1gxd n ASP 144 Ca 0.02 -1.12 -0.36 0.00 -0.01 0.00 0.00 54.79 53.32 1gxd n ASP 144 Cb 0.08 0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 40.79 1gxd n ASP 144 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1gxd s GLU 145 N -2.06 4.44 -0.11 0.11 2.02 -0.95 -3.96 118.70 118.19 1gxd s GLU 145 Ca 0.10 1.18 0.01 0.00 0.02 0.00 0.00 54.97 56.28 1gxd s GLU 145 Cb 0.12 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1gxd s GLU 145 CO 0.47 0.25 -0.13 0.00 0.02 0.00 0.00 175.26 175.88 1gxd s LEU 147 N 1.20 4.06 -0.31 0.00 2.96 -1.26 -1.87 118.68 123.45 1gxd s LEU 147 Ca -0.03 1.84 -0.03 0.00 -0.22 0.00 0.00 54.13 55.69 1gxd s LEU 147 Cb -0.14 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.06 1gxd s LEU 147 CO -0.04 -1.11 0.03 0.86 -1.32 0.00 0.00 176.35 174.77 1gxd s TRP 148 N 4.70 3.27 -0.55 5.38 -0.00 0.17 -4.96 118.94 126.95 1gxd s TRP 148 Ca 0.71 -1.76 0.07 0.00 -0.00 0.00 0.00 56.10 55.12 1gxd s TRP 148 Cb -0.28 -2.17 0.26 0.00 -0.00 0.00 0.00 33.47 31.28 1gxd s TRP 148 CO 0.28 -0.79 0.68 0.00 -0.00 0.00 0.00 176.95 177.13 1gxd n MET 149 N 4.67 1.96 0.05 5.86 0.00 -1.26 0.13 117.12 128.53 1gxd n MET 149 Ca -0.13 -4.20 -0.11 0.00 0.00 0.00 0.00 57.70 53.26 1gxd n MET 149 Cb 0.44 -1.92 -0.13 0.00 0.00 0.00 0.00 33.22 31.61 1gxd n MET 149 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1gxd h ASP 150 N 4.05 0.14 -0.94 3.17 5.19 -1.89 -3.02 116.42 123.12 1gxd h ASP 150 Ca 0.15 -0.18 0.22 0.00 -0.62 0.00 0.00 57.03 56.61 1gxd h ASP 150 Cb 0.73 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.12 1gxd h ASP 150 CO 0.71 1.14 0.62 -0.25 -3.12 0.00 0.00 179.24 178.34 1gxd h TRP 151 N 0.02 0.56 0.12 4.55 2.91 -1.76 1.28 115.95 123.63 1gxd h TRP 151 Ca -0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 1gxd h TRP 151 Cb 1.90 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.38 1gxd h TRP 151 CO 0.02 0.13 -0.06 -0.24 -1.03 0.00 0.00 178.44 177.26 1gxd h VAL 152 N 0.40 1.01 0.00 2.65 3.04 -1.84 -3.31 116.25 118.21 1gxd h VAL 152 Ca 0.50 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1gxd h VAL 152 Cb 1.25 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1gxd h VAL 152 CO -0.20 0.26 -0.02 0.74 -1.01 0.00 0.00 177.57 177.34 1gxd h THR 153 N -0.80 0.22 -3.36 3.17 2.02 -1.14 -3.44 112.91 109.59 1gxd h THR 153 Ca -0.02 -1.17 -0.60 0.00 0.77 0.00 0.00 66.41 65.40 1gxd h THR 153 Cb 0.55 0.42 -0.40 0.00 -1.74 0.00 0.00 68.15 66.98 1gxd h THR 153 CO 0.03 0.07 -0.75 -1.61 0.37 0.00 0.00 175.52 173.63 1gxd s GLU 154 N -1.66 1.02 0.25 6.66 8.01 0.43 -5.02 118.70 128.40 1gxd s GLU 154 Ca -0.03 -1.19 0.14 0.00 0.01 0.00 0.00 54.97 53.90 1gxd s GLU 154 Cb -0.00 -2.36 0.90 0.00 -4.31 0.00 0.00 34.13 28.36 1gxd s GLU 154 CO 0.09 -0.89 1.08 1.63 0.01 0.00 0.00 175.26 177.18 1gxd n LYS 155 N 4.70 -0.04 -1.91 1.61 4.01 -1.08 -3.87 118.16 121.58 1gxd n LYS 155 Ca -0.03 0.95 -0.30 0.00 -0.51 0.00 0.00 58.31 58.42 1gxd n LYS 155 Cb 0.43 -1.69 0.06 0.00 -0.51 0.00 0.00 35.03 33.31 1gxd n LYS 155 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1gxd s ASN 156 N -4.69 5.22 0.11 4.39 0.02 -1.26 -4.38 114.94 114.35 1gxd s ASN 156 Ca -0.06 1.02 -0.33 0.00 -1.02 0.00 0.00 52.86 52.47 1gxd s ASN 156 Cb 0.23 -1.75 -0.11 0.00 0.02 0.00 0.00 41.25 39.64 1gxd s ASN 156 CO 0.53 -1.47 1.57 0.40 0.02 0.00 0.00 177.10 178.15 1gxd h ILE 157 N -0.73 0.07 -2.43 0.60 2.04 -1.97 -3.37 117.51 111.72 1gxd h ILE 157 Ca -0.45 0.00 -0.58 0.00 1.00 0.00 0.00 64.86 64.83 1gxd h ILE 157 Cb 1.27 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1gxd h ILE 157 CO 0.64 0.00 1.35 0.21 0.00 0.00 0.00 178.15 180.35 1gxd s ASN 158 N -4.73 5.72 -0.09 1.72 3.04 -1.26 -4.72 114.94 114.62 1gxd s ASN 158 Ca -0.16 1.46 -0.30 0.00 0.04 0.00 0.00 52.86 53.90 1gxd s ASN 158 Cb 0.07 -2.52 0.07 0.00 -1.54 0.00 0.00 41.25 37.34 1gxd s ASN 158 CO 0.62 -1.82 0.71 -0.83 -3.04 0.00 0.00 177.10 172.74 1gxd s GLY 159 N 6.92 -0.55 0.00 1.21 0.00 -1.26 -4.94 107.32 108.70 1gxd s GLY 159 Ca 0.86 1.48 0.00 0.00 0.00 0.00 0.00 44.72 47.07 1gxd s GLY 159 CO 0.34 1.09 0.00 1.57 0.00 0.00 0.00 173.10 176.09 1gxd n HIS 160 N 1.16 0.00 0.31 1.90 -0.00 -1.26 0.28 115.22 117.61 1gxd n HIS 160 Ca -0.18 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.15 1gxd n HIS 160 Cb 0.57 0.00 0.77 0.00 -0.12 0.00 0.00 29.99 31.20 1gxd n HIS 160 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1gxd h GLN 161 N 0.00 0.00 0.03 1.57 4.15 -1.95 0.18 115.11 119.09 1gxd h GLN 161 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.04 1gxd h GLN 161 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 1gxd h GLN 161 CO 0.00 0.00 -2.37 0.00 -1.93 0.00 0.00 178.83 174.53 1gxd n ALA 162 N -1.85 1.33 -0.06 3.38 0.00 0.81 -2.67 120.51 121.45 1gxd n ALA 162 Ca -0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 1gxd n ALA 162 Cb 0.34 -0.23 0.21 0.00 0.00 0.00 0.00 19.45 19.77 1gxd n ALA 162 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gxd h LYS 163 N 0.02 0.68 0.00 0.00 1.57 0.10 -3.35 116.57 115.59 1gxd h LYS 163 Ca -0.54 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1gxd h LYS 163 Cb 1.95 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1gxd h LYS 163 CO -0.04 0.71 0.00 1.19 -0.57 0.00 0.00 179.45 180.73 1gxd n PHE 164 N -4.23 0.00 -4.21 -1.35 3.01 0.41 -4.13 117.46 106.96 1gxd n PHE 164 Ca 0.02 -0.11 -0.26 0.00 1.01 0.00 0.00 57.45 58.11 1gxd n PHE 164 Cb 0.29 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.67 1gxd n PHE 164 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1gxd s PHE 165 N -0.21 2.83 -0.23 1.38 0.40 -1.09 -4.60 117.98 116.45 1gxd s PHE 165 Ca 0.00 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1gxd s PHE 165 Cb 0.00 -1.37 0.12 0.00 0.51 0.00 0.00 43.02 42.28 1gxd s PHE 165 CO 0.00 0.52 0.45 0.00 0.70 0.00 0.00 175.22 176.89 1gxd s ALA 166 N -1.75 -1.36 -1.01 5.36 0.00 -1.26 -4.78 121.76 116.96 1gxd s ALA 166 Ca 0.27 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 1gxd s ALA 166 Cb -0.09 -1.57 0.08 0.00 0.00 0.00 0.00 23.12 21.54 1gxd s ALA 166 CO 0.18 -0.98 1.35 0.00 0.00 0.00 0.00 175.76 176.31 1gxd s ILE 168 N 4.04 1.81 -0.20 0.00 -1.09 0.19 -4.35 121.20 121.60 1gxd s ILE 168 Ca 0.42 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.78 1gxd s ILE 168 Cb -0.02 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1gxd s ILE 168 CO -0.09 0.00 0.02 -0.75 -1.23 0.00 0.00 174.94 172.89 1gxd s LYS 169 N -5.36 3.68 0.83 2.79 2.20 -1.24 -0.59 119.74 122.05 1gxd s LYS 169 Ca 0.69 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.70 1gxd s LYS 169 Cb -0.12 -3.12 0.09 0.00 -1.51 0.00 0.00 37.83 33.17 1gxd s LYS 169 CO 0.55 0.04 1.10 1.03 -0.36 0.00 0.00 175.35 177.72 1gxd s ARG 170 N 0.95 1.77 0.00 4.03 1.81 1.77 -4.91 118.95 124.38 1gxd s ARG 170 Ca 0.02 1.21 0.16 0.00 -1.72 0.00 0.00 55.73 55.40 1gxd s ARG 170 Cb -0.14 -1.84 0.88 0.00 -0.45 0.00 0.00 34.95 33.40 1gxd s ARG 170 CO 0.02 -2.00 1.39 0.43 -0.68 0.00 0.00 175.30 174.47 1gxd n SER 171 N -3.77 0.00 -0.03 0.23 7.64 -1.26 -1.72 113.62 114.71 1gxd n SER 171 Ca 0.09 -0.26 0.08 0.00 1.01 0.00 0.00 58.87 59.80 1gxd n SER 171 Cb 0.53 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.52 1gxd n SER 171 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gxd n ASP 172 N -1.12 0.90 0.00 6.43 5.75 -1.26 -4.94 116.55 122.31 1gxd n ASP 172 Ca 0.10 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 1gxd n ASP 172 Cb 0.08 0.96 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1gxd n ASP 172 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gxd n GLY 173 N 1.40 0.75 3.99 6.12 0.00 -0.70 -5.10 105.19 111.66 1gxd n GLY 173 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1gxd n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gxd s SER 174 N -1.69 4.32 0.21 1.61 0.01 -1.25 -4.69 113.70 112.21 1gxd s SER 174 Ca 0.00 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1gxd s SER 174 Cb 0.00 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 1gxd s SER 174 CO 0.00 -1.89 0.02 0.00 0.41 0.00 0.00 173.24 171.79 1gxd s ALA 176 N -3.61 -2.03 1.09 0.00 0.00 0.25 -4.79 121.76 112.67 1gxd s ALA 176 Ca 0.28 1.59 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1gxd s ALA 176 Cb 0.06 -0.39 0.25 0.00 0.00 0.00 0.00 23.12 23.05 1gxd s ALA 176 CO 0.07 -0.50 1.25 -1.58 0.00 0.00 0.00 175.76 175.00 1gxd s TRP 177 N -2.06 0.88 0.33 0.00 0.51 -1.26 0.55 118.94 117.89 1gxd s TRP 177 Ca 0.07 0.32 -0.18 0.00 -2.12 0.00 0.00 56.10 54.18 1gxd s TRP 177 Cb -0.01 -3.91 0.04 0.00 -0.81 0.00 0.00 33.47 28.78 1gxd s TRP 177 CO -0.05 -3.32 0.78 0.71 -0.51 0.00 0.00 176.95 174.56 1gxd s TYR 178 N -3.55 -0.02 -0.29 -1.98 1.51 -1.01 -4.73 117.35 107.28 1gxd s TYR 178 Ca 0.74 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1gxd s TYR 178 Cb -0.05 0.78 0.19 0.00 -0.11 0.00 0.00 41.96 42.77 1gxd s TYR 178 CO 0.55 -1.38 0.77 0.50 -1.11 0.00 0.00 175.55 174.87 1gxd s ARG 179 N -2.99 0.40 0.00 -0.62 3.52 -1.26 -4.07 118.95 113.93 1gxd s ARG 179 Ca 0.14 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1gxd s ARG 179 Cb -0.05 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1gxd s ARG 179 CO 0.09 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.26 1gxd n GLY 180 N 5.30 0.89 0.29 8.12 0.00 -1.26 -4.91 105.19 113.62 1gxd n GLY 180 Ca 0.07 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1gxd n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxd n ALA 181 N -1.00 2.70 -3.85 4.61 0.00 -1.26 -4.95 120.51 116.76 1gxd n ALA 181 Ca 0.00 -2.78 -0.30 0.00 0.00 0.00 0.00 53.44 50.36 1gxd n ALA 181 Cb 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 1gxd n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gxd s ALA 182 N -2.97 2.38 -0.65 0.00 0.00 -1.26 -5.01 121.76 114.26 1gxd s ALA 182 Ca 0.35 -2.41 0.25 0.00 0.00 0.00 0.00 51.96 50.15 1gxd s ALA 182 Cb 0.31 -1.88 0.67 0.00 0.00 0.00 0.00 23.12 22.22 1gxd s ALA 182 CO 0.01 -1.82 1.73 -1.35 0.00 0.00 0.00 175.76 174.33 1gxd h PRO 183 N 7.37 0.00 -1.41 0.00 0.11 -2.01 -3.44 132.00 132.61 1gxd h PRO 183 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1gxd h PRO 183 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1gxd h PRO 183 CO 0.52 0.00 0.00 -2.30 -0.21 0.00 0.00 178.00 176.01 1gxd n PRO 184 N -2.51 0.78 -3.47 1.05 -0.02 -1.26 -4.95 135.00 124.63 1gxd n PRO 184 Ca 0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 1gxd n PRO 184 Cb 0.46 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.80 1gxd n PRO 184 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1gxd s LYS 185 N 0.27 1.09 -0.02 -0.52 -2.85 -1.26 -5.10 119.74 111.36 1gxd s LYS 185 Ca 0.00 -0.28 -0.01 0.00 -1.00 0.00 0.00 55.97 54.68 1gxd s LYS 185 Cb 0.00 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1gxd s LYS 185 CO 0.00 -0.45 -0.02 0.37 0.10 0.00 0.00 175.35 175.35 1gxd h GLN 186 N 2.19 0.00 -2.78 1.78 4.15 -2.02 -3.49 115.11 114.93 1gxd h GLN 186 Ca -0.29 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.98 1gxd h GLN 186 Cb 1.26 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.67 1gxd h GLN 186 CO 0.36 0.00 -0.38 -1.83 -1.93 0.00 0.00 178.83 175.04 1gxd s GLU 187 N -1.14 0.30 -0.24 1.69 4.04 -1.26 -5.12 118.70 116.98 1gxd s GLU 187 Ca -0.02 0.71 -0.39 0.00 0.04 0.00 0.00 54.97 55.32 1gxd s GLU 187 Cb 0.00 -0.03 -0.15 0.00 0.02 0.00 0.00 34.13 33.97 1gxd s GLU 187 CO 0.02 -0.18 1.74 1.97 -1.84 0.00 0.00 175.26 176.98 1gxd n PHE 188 N 4.42 2.06 -4.10 4.83 1.16 -1.26 -4.95 117.46 119.62 1gxd n PHE 188 Ca -0.22 0.48 -0.10 0.00 -1.87 0.00 0.00 57.45 55.74 1gxd n PHE 188 Cb 0.54 -2.48 -0.09 0.00 -1.61 0.00 0.00 39.48 35.84 1gxd n PHE 188 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1gxd s LEU 189 N 3.45 1.18 0.12 5.98 2.96 -1.26 -5.18 118.68 125.93 1gxd s LEU 189 Ca 0.97 -1.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1gxd s LEU 189 Cb -1.02 0.73 -0.04 0.00 0.50 0.00 0.00 46.19 46.36 1gxd s LEU 189 CO 0.63 -0.86 -0.11 1.51 -1.32 0.00 0.00 176.35 176.21 1gxd s ASP 190 N -3.06 1.64 -0.33 3.68 1.47 -1.26 -5.11 116.67 113.70 1gxd s ASP 190 Ca 0.27 -0.88 -0.29 0.00 1.18 0.00 0.00 52.55 52.84 1gxd s ASP 190 Cb 0.05 -0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.62 1gxd s ASP 190 CO 0.06 -0.27 1.40 0.27 0.68 0.00 0.00 175.17 177.31 1gxd s ILE 191 N -2.68 3.97 -1.75 2.11 -4.36 -1.26 -5.31 121.20 111.92 1gxd s ILE 191 Ca 0.09 1.05 0.14 0.00 -0.26 0.00 0.00 60.65 61.68 1gxd s ILE 191 Cb -0.01 -4.10 0.11 0.00 1.25 0.00 0.00 42.46 39.71 1gxd s ILE 191 CO 0.01 -0.56 0.94 -0.62 0.24 0.00 0.00 174.94 174.95