#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxd n SER 2 N 0.00 5.44 -4.71 0.00 7.64 -1.26 -4.96 113.62 115.77 1gxd n SER 2 Ca 0.00 -3.02 -0.42 0.00 1.01 0.00 0.00 58.87 56.44 1gxd n SER 2 Cb 0.00 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 61.66 1gxd n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gxd s SER 4 N 1.06 6.29 0.19 0.00 0.01 -1.26 -5.03 113.70 114.96 1gxd s SER 4 Ca 0.55 0.68 -0.31 0.00 1.31 0.00 0.00 55.95 58.18 1gxd s SER 4 Cb -0.25 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1gxd s SER 4 CO 0.28 -0.41 1.42 -2.84 0.41 0.00 0.00 173.24 172.10 1gxd s PRO 5 N -4.44 4.30 -0.09 12.44 0.02 -1.26 -5.00 135.00 140.97 1gxd s PRO 5 Ca 0.43 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.57 1gxd s PRO 5 Cb -0.10 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.27 1gxd s PRO 5 CO 0.39 -0.42 0.25 0.14 -0.33 0.00 0.00 177.00 177.04 1gxd s VAL 6 N 0.49 -0.00 0.02 3.83 -7.23 -1.26 -5.12 120.40 111.13 1gxd s VAL 6 Ca 0.62 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 1gxd s VAL 6 Cb -0.40 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.12 1gxd s VAL 6 CO 0.37 0.00 1.56 -2.28 -0.31 0.00 0.00 175.10 174.44 1gxd s HIS 7 N 0.20 2.49 0.32 2.82 2.46 -1.26 -4.84 115.29 117.48 1gxd s HIS 7 Ca -0.01 0.48 0.16 0.00 0.47 0.00 0.00 55.06 56.17 1gxd s HIS 7 Cb -0.02 -3.84 1.13 0.00 -0.13 0.00 0.00 32.58 29.71 1gxd s HIS 7 CO -0.00 -3.33 1.41 -2.30 -2.47 0.00 0.00 174.74 168.05 1gxd n PRO 8 N 5.83 -0.06 0.14 2.88 -0.02 -1.26 0.44 135.00 142.96 1gxd n PRO 8 Ca 0.15 1.25 0.01 0.00 -2.02 0.00 0.00 63.50 62.89 1gxd n PRO 8 Cb 0.42 -2.20 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.49 -0.52 4.15 -1.89 -2.98 115.11 113.38 1gxd h GLN 9 Ca 0.73 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 60.06 1gxd h GLN 9 Cb 1.87 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.55 1gxd h GLN 9 CO -0.71 0.56 -0.04 0.37 -1.93 0.00 0.00 178.83 177.09 1gxd h GLN 10 N 0.00 0.89 0.00 1.69 4.15 0.89 -2.65 115.11 120.08 1gxd h GLN 10 Ca -0.01 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.09 1gxd h GLN 10 Cb 1.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1gxd h GLN 10 CO 0.07 0.95 -0.09 0.00 -1.93 0.00 0.00 178.83 177.83 1gxd h ALA 11 N 0.92 0.01 -0.96 3.38 0.00 -1.28 -2.94 119.26 118.38 1gxd h ALA 11 Ca 0.13 -0.43 0.28 0.00 0.00 0.00 0.00 54.91 54.89 1gxd h ALA 11 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1gxd h ALA 11 CO 0.03 -0.03 0.81 0.35 0.00 0.00 0.00 179.25 180.41 1gxd h PHE 12 N -0.72 0.00 0.22 0.00 3.04 -1.57 0.76 116.94 118.67 1gxd h PHE 12 Ca -0.01 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.61 1gxd h PHE 12 Cb 0.89 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.43 1gxd h PHE 12 CO 0.21 0.00 -1.45 0.00 -2.02 0.00 0.00 178.31 175.05 1gxd n ASN 14 N -3.65 0.00 -4.73 0.00 3.02 0.25 -4.85 115.26 105.29 1gxd n ASN 14 Ca -0.15 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1gxd n ASN 14 Cb 1.08 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 1gxd n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gxd s ALA 15 N -2.02 3.24 -0.60 5.41 0.00 -0.03 -4.88 121.76 122.88 1gxd s ALA 15 Ca 0.47 0.57 0.22 0.00 0.00 0.00 0.00 51.96 53.22 1gxd s ALA 15 Cb 0.22 -3.28 0.91 0.00 0.00 0.00 0.00 23.12 20.97 1gxd s ALA 15 CO 0.37 -0.03 1.68 -0.25 0.00 0.00 0.00 175.76 177.53 1gxd n ASP 16 N 2.83 0.56 -3.47 0.00 8.00 -0.72 -4.82 116.55 118.94 1gxd n ASP 16 Ca 0.02 0.63 -0.10 0.00 0.71 0.00 0.00 54.79 56.05 1gxd n ASP 16 Cb 0.49 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1gxd n ASP 16 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1gxd s VAL 17 N -3.24 0.00 -0.16 2.53 -7.23 -1.06 -3.98 120.40 107.26 1gxd s VAL 17 Ca 0.05 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1gxd s VAL 17 Cb 0.10 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 36.11 1gxd s VAL 17 CO 0.39 0.00 0.34 -0.69 -0.31 0.00 0.00 175.10 174.84 1gxd s VAL 18 N -3.31 -0.40 0.25 1.32 1.01 -1.06 -2.22 120.40 115.98 1gxd s VAL 18 Ca 0.03 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1gxd s VAL 18 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1gxd s VAL 18 CO -0.10 0.08 0.15 0.27 0.00 0.00 0.00 175.10 175.50 1gxd s ILE 19 N 2.21 0.15 -0.64 2.22 -4.36 0.15 -0.83 121.20 120.09 1gxd s ILE 19 Ca -0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 1gxd s ILE 19 Cb -0.11 -2.52 0.38 0.00 1.25 0.00 0.00 42.46 41.45 1gxd s ILE 19 CO -0.11 0.00 1.42 0.54 0.24 0.00 0.00 174.94 177.03 1gxd n ARG 20 N -0.40 3.43 -1.55 0.37 5.12 -0.12 -1.03 116.66 122.48 1gxd n ARG 20 Ca 0.02 -4.31 -0.29 0.00 -1.93 0.00 0.00 57.85 51.34 1gxd n ARG 20 Cb 0.65 -2.28 0.14 0.00 -1.16 0.00 0.00 32.46 29.81 1gxd n ARG 20 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gxd s ALA 21 N -3.77 1.80 -0.23 7.54 0.00 -1.11 -3.27 121.76 122.72 1gxd s ALA 21 Ca 0.48 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1gxd s ALA 21 Cb 0.37 -3.03 0.12 0.00 0.00 0.00 0.00 23.12 20.58 1gxd s ALA 21 CO -0.24 -2.28 0.32 -1.59 0.00 0.00 0.00 175.76 171.97 1gxd s LYS 22 N -5.30 0.29 0.16 0.00 -2.85 -1.13 -1.98 119.74 108.93 1gxd s LYS 22 Ca 0.64 0.40 -0.31 0.00 -1.00 0.00 0.00 55.97 55.70 1gxd s LYS 22 Cb -0.14 -0.76 -0.11 0.00 -2.06 0.00 0.00 37.83 34.76 1gxd s LYS 22 CO 0.53 -0.65 1.77 0.00 0.10 0.00 0.00 175.35 177.10 1gxd s ALA 23 N 2.46 3.84 -0.04 0.59 0.00 -1.26 -3.27 121.76 124.08 1gxd s ALA 23 Ca 0.10 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1gxd s ALA 23 Cb -0.16 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1gxd s ALA 23 CO -0.15 -1.08 -0.01 0.28 0.00 0.00 0.00 175.76 174.81 1gxd n VAL 24 N 4.38 0.28 -4.04 0.00 0.31 -1.12 -2.84 118.33 115.31 1gxd n VAL 24 Ca 0.17 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 1gxd n VAL 24 Cb 0.37 -0.81 -0.14 0.00 -0.91 0.00 0.00 33.84 32.36 1gxd n VAL 24 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1gxd s SER 25 N -3.89 0.41 -0.02 4.52 0.01 -1.24 -2.37 113.70 111.13 1gxd s SER 25 Ca -0.04 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1gxd s SER 25 Cb 0.01 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.24 1gxd s SER 25 CO 0.14 -0.03 -0.00 -0.70 0.41 0.00 0.00 173.24 173.06 1gxd s GLU 26 N -0.41 0.20 -0.28 12.44 2.12 -1.26 0.08 118.70 131.59 1gxd s GLU 26 Ca -0.02 0.04 -0.19 0.00 0.36 0.00 0.00 54.97 55.15 1gxd s GLU 26 Cb -0.03 -0.32 0.08 0.00 0.26 0.00 0.00 34.13 34.12 1gxd s GLU 26 CO -0.00 -0.07 0.73 -1.59 -0.54 0.00 0.00 175.26 173.79 1gxd s LYS 27 N 0.62 0.72 0.21 4.30 -2.85 -0.93 -5.01 119.74 116.80 1gxd s LYS 27 Ca -0.06 1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 55.70 1gxd s LYS 27 Cb -0.09 0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 1gxd s LYS 27 CO -0.01 -0.13 1.37 -2.00 0.10 0.00 0.00 175.35 174.68 1gxd s GLU 28 N 1.14 4.34 0.06 1.78 2.12 -1.26 -2.26 118.70 124.62 1gxd s GLU 28 Ca -0.06 2.15 0.01 0.00 0.36 0.00 0.00 54.97 57.43 1gxd s GLU 28 Cb -0.05 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1gxd s GLU 28 CO -0.12 -0.33 -0.05 0.14 -0.54 0.00 0.00 175.26 174.35 1gxd s VAL 29 N 0.17 0.41 0.23 3.70 -7.23 -0.33 -4.94 120.40 112.41 1gxd s VAL 29 Ca 0.58 -1.49 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1gxd s VAL 29 Cb -0.39 -1.09 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1gxd s VAL 29 CO 0.39 -0.71 1.19 -1.81 -0.31 0.00 0.00 175.10 173.85 1gxd s ASP 30 N -2.34 7.09 0.00 4.85 1.11 -1.26 -2.10 116.67 124.01 1gxd s ASP 30 Ca -0.00 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.04 1gxd s ASP 30 Cb -0.01 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1gxd s ASP 30 CO -0.04 -0.34 0.00 -0.24 1.18 0.00 0.00 175.17 175.73 1gxd n SER 31 N 1.92 2.95 -3.02 0.27 2.88 -1.08 -4.91 113.62 112.63 1gxd n SER 31 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 1gxd n SER 31 Cb 0.44 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1gxd n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1gxd s GLY 32 N -3.87 0.50 0.04 0.46 0.00 -1.15 -5.02 107.32 98.28 1gxd s GLY 32 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1gxd s GLY 32 CO 0.00 -0.40 -0.19 -1.31 0.00 0.00 0.00 173.10 171.20 1gxd s ASN 33 N -3.09 2.25 -0.01 1.64 0.01 -1.26 -0.27 114.94 114.21 1gxd s ASN 33 Ca 0.17 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.85 1gxd s ASN 33 Cb -0.04 -0.18 -0.00 0.00 0.41 0.00 0.00 41.25 41.43 1gxd s ASN 33 CO 0.12 0.14 -0.06 1.51 -1.51 0.00 0.00 177.10 177.30 1gxd s ASP 34 N -1.09 0.74 -1.34 -1.22 1.47 -0.36 -4.85 116.67 110.02 1gxd s ASP 34 Ca 0.06 -0.11 -0.07 0.00 1.18 0.00 0.00 52.55 53.61 1gxd s ASP 34 Cb -0.08 -0.12 0.02 0.00 -0.34 0.00 0.00 42.92 42.40 1gxd s ASP 34 CO 0.01 0.06 1.06 -0.38 0.68 0.00 0.00 175.17 176.60 1gxd n ILE 35 N 3.06 -3.77 -0.11 2.11 2.08 -1.26 -1.72 119.36 119.74 1gxd n ILE 35 Ca -0.15 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1gxd n ILE 35 Cb 0.57 -4.05 0.00 0.00 -0.75 0.00 0.00 39.64 35.41 1gxd n ILE 35 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gxd n TYR 36 N -4.66 0.00 -0.87 1.39 4.19 -1.26 -4.10 117.16 111.84 1gxd n TYR 36 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 1gxd n TYR 36 Cb 0.59 -1.07 0.00 0.00 0.49 0.00 0.00 39.34 39.35 1gxd n TYR 36 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gxd n GLY 37 N -1.80 1.00 3.22 2.98 0.00 -1.22 -5.05 105.19 104.32 1gxd n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gxd n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gxd s ASN 38 N 0.00 5.77 0.73 1.61 0.01 -0.70 -4.97 114.94 117.39 1gxd s ASN 38 Ca 0.00 -2.02 -0.11 0.00 -0.71 0.00 0.00 52.86 50.02 1gxd s ASN 38 Cb 0.00 -2.03 0.03 0.00 0.41 0.00 0.00 41.25 39.66 1gxd s ASN 38 CO 0.00 -0.68 1.08 -2.84 -1.51 0.00 0.00 177.10 173.15 1gxd s PRO 39 N 1.20 2.62 -0.17 -0.60 0.02 -1.26 -1.22 135.00 135.59 1gxd s PRO 39 Ca 0.07 1.08 -0.01 0.00 0.02 0.00 0.00 61.00 62.15 1gxd s PRO 39 Cb -0.25 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 1gxd s PRO 39 CO -0.01 -1.36 -0.11 -1.50 -0.33 0.00 0.00 177.00 173.69 1gxd s ILE 40 N -2.94 3.02 -0.15 2.83 1.10 0.63 -4.83 121.20 120.86 1gxd s ILE 40 Ca 0.60 -0.64 -0.04 0.00 -0.51 0.00 0.00 60.65 60.06 1gxd s ILE 40 Cb -0.16 -2.31 -0.03 0.00 0.15 0.00 0.00 42.46 40.11 1gxd s ILE 40 CO 0.55 0.49 -0.02 -0.54 -2.11 0.00 0.00 174.94 173.30 1gxd s LYS 41 N 0.90 3.64 0.15 3.50 1.02 -1.26 -2.62 119.74 125.07 1gxd s LYS 41 Ca -0.02 -0.49 0.11 0.00 0.02 0.00 0.00 55.97 55.59 1gxd s LYS 41 Cb -0.15 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1gxd s LYS 41 CO -0.00 0.29 -0.25 1.03 -0.92 0.00 0.00 175.35 175.50 1gxd s ARG 42 N 0.23 1.49 0.50 1.68 0.52 -0.89 -4.45 118.95 118.03 1gxd s ARG 42 Ca -0.02 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 53.65 1gxd s ARG 42 Cb -0.14 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 1gxd s ARG 42 CO 0.02 0.44 0.95 0.42 0.02 0.00 0.00 175.30 177.15 1gxd s ILE 43 N -1.29 4.59 -0.08 1.52 -1.09 0.62 -1.19 121.20 124.28 1gxd s ILE 43 Ca 0.17 1.09 -0.03 0.00 -2.23 0.00 0.00 60.65 59.65 1gxd s ILE 43 Cb -0.09 -3.73 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1gxd s ILE 43 CO 0.08 -0.70 0.16 -1.58 -1.23 0.00 0.00 174.94 171.67 1gxd s GLN 44 N -4.12 0.06 -0.12 2.79 0.74 -0.96 -1.10 119.66 116.96 1gxd s GLN 44 Ca 0.57 0.51 -0.07 0.00 0.05 0.00 0.00 55.36 56.43 1gxd s GLN 44 Cb -0.10 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 1gxd s GLN 44 CO 0.33 -0.26 0.13 0.71 -0.55 0.00 0.00 175.29 175.65 1gxd s TYR 45 N 1.92 3.56 -1.16 1.67 2.02 -0.65 -2.18 117.35 122.52 1gxd s TYR 45 Ca -0.01 0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 57.04 1gxd s TYR 45 Cb -0.12 -1.93 0.17 0.00 -0.40 0.00 0.00 41.96 39.68 1gxd s TYR 45 CO -0.06 0.71 1.37 -2.00 -1.57 0.00 0.00 175.55 174.00 1gxd s GLU 46 N -0.99 4.03 0.99 -0.62 2.12 0.11 -2.19 118.70 122.15 1gxd s GLU 46 Ca 0.15 -2.50 -0.16 0.00 0.36 0.00 0.00 54.97 52.81 1gxd s GLU 46 Cb -0.12 -5.01 0.21 0.00 0.26 0.00 0.00 34.13 29.47 1gxd s GLU 46 CO 0.04 -1.74 1.29 0.96 -0.54 0.00 0.00 175.26 175.27 1gxd s ILE 47 N 1.57 1.95 -0.16 -3.70 -5.25 -0.81 -2.79 121.20 112.01 1gxd s ILE 47 Ca 0.41 0.00 -0.04 0.00 -0.99 0.00 0.00 60.65 60.02 1gxd s ILE 47 Cb -0.03 -2.93 0.07 0.00 2.95 0.00 0.00 42.46 42.51 1gxd s ILE 47 CO -0.02 0.00 0.14 -0.75 -1.79 0.00 0.00 174.94 172.52 1gxd s LYS 48 N -5.82 0.09 -0.48 0.37 2.20 -1.20 -4.67 119.74 110.23 1gxd s LYS 48 Ca 0.73 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 56.17 1gxd s LYS 48 Cb -0.05 -1.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.91 1gxd s LYS 48 CO 0.53 -0.61 1.34 -1.14 -0.36 0.00 0.00 175.35 175.11 1gxd s GLN 49 N 2.22 3.52 -0.07 4.03 0.74 -1.25 -2.82 119.66 126.02 1gxd s GLN 49 Ca 0.04 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.11 1gxd s GLN 49 Cb -0.15 -4.03 -0.25 0.00 1.10 0.00 0.00 33.01 29.67 1gxd s GLN 49 CO -0.09 -1.65 0.57 -0.84 -0.55 0.00 0.00 175.29 172.72 1gxd h ILE 50 N 6.37 0.81 -3.29 -2.34 3.07 -1.92 -3.46 117.51 116.75 1gxd h ILE 50 Ca -0.26 -2.56 -0.44 0.00 1.55 0.00 0.00 64.86 63.15 1gxd h ILE 50 Cb 1.09 2.53 -0.37 0.00 -0.27 0.00 0.00 36.82 39.80 1gxd h ILE 50 CO 1.13 0.74 -0.77 -0.54 -1.05 0.00 0.00 178.15 177.66 1gxd s LYS 51 N -2.58 0.73 0.24 0.16 1.02 -1.26 -5.01 119.74 113.03 1gxd s LYS 51 Ca -0.14 0.04 -0.10 0.00 0.02 0.00 0.00 55.97 55.79 1gxd s LYS 51 Cb 0.07 -1.00 -0.07 0.00 -0.52 0.00 0.00 37.83 36.31 1gxd s LYS 51 CO 0.81 -0.26 0.56 1.41 -0.92 0.00 0.00 175.35 176.95 1gxd s MET 52 N 1.74 3.81 0.01 1.68 -2.45 -1.26 -0.94 119.30 121.90 1gxd s MET 52 Ca 0.02 0.30 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 1gxd s MET 52 Cb -0.13 -2.63 -0.00 0.00 1.25 0.00 0.00 34.83 33.32 1gxd s MET 52 CO -0.05 0.30 -0.01 1.19 1.05 0.00 0.00 175.02 177.51 1gxd n PHE 53 N -0.16 0.00 -3.59 4.11 3.72 -0.01 -4.98 117.46 116.55 1gxd n PHE 53 Ca 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1gxd n PHE 53 Cb 0.52 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 1gxd n PHE 53 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1gxd s LYS 54 N -2.02 0.51 0.00 -1.08 -2.85 -1.23 -4.94 119.74 108.12 1gxd s LYS 54 Ca -0.01 1.28 0.00 0.00 -1.00 0.00 0.00 55.97 56.24 1gxd s LYS 54 Cb 0.00 0.67 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 1gxd s LYS 54 CO 0.02 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1gxd n GLY 55 N 5.43 3.24 1.20 0.59 0.00 -1.26 -2.57 105.19 111.83 1gxd n GLY 55 Ca -0.10 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1gxd n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gxd n PRO 56 N -1.27 0.00 0.00 1.61 -0.02 -1.26 -4.64 135.00 129.42 1gxd n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1gxd n PRO 56 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1gxd n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1gxd n GLU 57 N 0.79 0.12 -4.00 -0.52 2.13 -1.26 -4.32 120.64 113.57 1gxd n GLU 57 Ca 0.08 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.58 1gxd n GLU 57 Cb 0.01 -1.21 -0.15 0.00 0.27 0.00 0.00 31.44 30.36 1gxd n GLU 57 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1gxd s LYS 58 N -0.26 1.89 -0.38 5.31 2.20 -1.26 -5.06 119.74 122.17 1gxd s LYS 58 Ca 0.00 -1.63 -0.35 0.00 -0.36 0.00 0.00 55.97 53.63 1gxd s LYS 58 Cb 0.00 -3.13 -0.15 0.00 -1.51 0.00 0.00 37.83 33.04 1gxd s LYS 58 CO 0.00 -0.79 1.37 -0.25 -0.36 0.00 0.00 175.35 175.31 1gxd n ASP 59 N 4.38 0.80 -4.64 1.43 9.92 -1.26 -4.52 116.55 122.66 1gxd n ASP 59 Ca -0.05 0.77 -0.43 0.00 -0.53 0.00 0.00 54.79 54.56 1gxd n ASP 59 Cb 0.42 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 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 3.09 3.43 -0.09 0.53 -1.09 -1.26 -4.69 121.20 121.13 1gxd s ILE 60 Ca 0.84 0.49 0.03 0.00 -2.23 0.00 0.00 60.65 59.78 1gxd s ILE 60 Cb -1.14 -3.40 -0.25 0.00 -1.58 0.00 0.00 42.46 36.09 1gxd s ILE 60 CO 0.58 -0.14 0.49 1.21 -1.23 0.00 0.00 174.94 175.86 1gxd n GLU 61 N 7.68 0.70 -4.30 2.79 2.13 -0.50 -3.96 120.64 125.18 1gxd n GLU 61 Ca 0.20 0.27 -0.23 0.00 0.66 0.00 0.00 57.16 58.06 1gxd n GLU 61 Cb 0.44 -1.74 -0.13 0.00 0.27 0.00 0.00 31.44 30.28 1gxd n GLU 61 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1gxd s PHE 62 N -2.58 1.72 -0.16 4.31 0.08 -0.59 -1.92 117.98 118.85 1gxd s PHE 62 Ca -0.14 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.48 1gxd s PHE 62 Cb 0.07 -0.95 0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1gxd s PHE 62 CO 0.79 0.18 -0.04 0.42 -0.10 0.00 0.00 175.22 176.47 1gxd s ILE 63 N -1.15 1.00 0.34 0.64 1.01 -0.93 -2.17 121.20 119.95 1gxd s ILE 63 Ca 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1gxd s ILE 63 Cb -0.10 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1gxd s ILE 63 CO 0.04 0.12 0.59 -0.31 0.00 0.00 0.00 174.94 175.37 1gxd s TYR 64 N 1.68 3.50 0.36 3.97 1.51 0.16 -1.64 117.35 126.89 1gxd s TYR 64 Ca 0.01 0.54 -0.16 0.00 -1.01 0.00 0.00 57.07 56.45 1gxd s TYR 64 Cb -0.15 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1gxd s TYR 64 CO -0.08 0.08 0.75 -0.08 -1.11 0.00 0.00 175.55 175.11 1gxd s THR 65 N -2.29 0.00 0.56 -0.71 -1.32 -0.25 -2.52 115.64 109.10 1gxd s THR 65 Ca 0.43 -1.05 -0.17 0.00 -1.21 0.00 0.00 61.69 59.69 1gxd s THR 65 Cb -0.10 -2.65 -0.05 0.00 -1.51 0.00 0.00 72.50 68.18 1gxd s THR 65 CO 0.35 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.81 1gxd s ALA 66 N -2.75 2.78 0.34 11.08 0.00 -1.26 -0.27 121.76 131.67 1gxd s ALA 66 Ca 0.15 0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.68 1gxd s ALA 66 Cb -0.05 -3.24 0.62 0.00 0.00 0.00 0.00 23.12 20.45 1gxd s ALA 66 CO 0.11 -0.66 1.80 -1.35 0.00 0.00 0.00 175.76 175.66 1gxd h PRO 67 N 0.81 0.17 -4.92 0.00 0.11 -1.90 -3.41 132.00 122.86 1gxd h PRO 67 Ca -0.48 -0.06 -0.29 0.00 0.11 0.00 0.00 66.00 65.27 1gxd h PRO 67 Cb 1.22 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 1gxd h PRO 67 CO 0.58 0.48 -0.70 -1.54 -0.21 0.00 0.00 178.00 176.60 1gxd s SER 68 N -6.89 1.56 0.06 -2.05 1.04 -1.26 -4.99 113.70 101.16 1gxd s SER 68 Ca -0.04 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.15 1gxd s SER 68 Cb 0.14 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1gxd s SER 68 CO 0.75 -0.39 1.33 0.28 0.98 0.00 0.00 173.24 176.18 1gxd h SER 69 N 2.82 -0.91 0.03 7.02 0.02 -1.89 -1.99 113.55 118.65 1gxd h SER 69 Ca -0.36 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1gxd h SER 69 Cb 1.18 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1gxd h SER 69 CO 0.64 -0.35 0.00 0.00 -1.14 0.00 0.00 176.83 175.98 1gxd n ALA 70 N -2.70 1.62 -0.97 3.77 0.00 -1.26 -2.22 120.51 118.76 1gxd n ALA 70 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1gxd n ALA 70 Cb 0.25 -1.08 0.33 0.00 0.00 0.00 0.00 19.45 18.95 1gxd n ALA 70 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1gxd n VAL 71 N -1.08 2.87 -2.69 0.00 0.24 -0.75 -4.40 118.33 112.51 1gxd n VAL 71 Ca 0.04 -1.54 -0.09 0.00 -2.04 0.00 0.00 64.34 60.71 1gxd n VAL 71 Cb 0.02 -0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.07 1gxd n VAL 71 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gxd s GLY 73 N -2.99 1.99 0.01 0.00 0.00 -1.14 -3.89 107.32 101.31 1gxd s GLY 73 Ca 0.16 -0.73 -0.18 0.00 0.00 0.00 0.00 44.72 43.97 1gxd s GLY 73 CO 0.19 -0.42 0.51 0.14 0.00 0.00 0.00 173.10 173.52 1gxd s VAL 74 N -0.82 4.92 -0.09 1.40 1.01 -1.26 -4.70 120.40 120.86 1gxd s VAL 74 Ca 0.13 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1gxd s VAL 74 Cb -0.12 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1gxd s VAL 74 CO 0.03 0.51 -0.01 -0.44 0.00 0.00 0.00 175.10 175.18 1gxd s SER 75 N -0.71 5.09 0.12 3.32 0.01 -1.26 -4.86 113.70 115.40 1gxd s SER 75 Ca 0.27 0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.66 1gxd s SER 75 Cb -0.18 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1gxd s SER 75 CO 0.16 0.36 -0.10 -0.76 0.41 0.00 0.00 173.24 173.31 1gxd s LEU 76 N -0.78 2.48 -0.66 2.44 1.43 -1.26 -5.10 118.68 117.23 1gxd s LEU 76 Ca 0.12 -0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 52.02 1gxd s LEU 76 Cb -0.11 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 45.86 1gxd s LEU 76 CO 0.02 -0.33 1.15 -1.81 0.23 0.00 0.00 176.35 175.61 1gxd s ASP 77 N -2.87 6.26 0.99 2.29 1.01 -1.26 -5.02 116.67 118.07 1gxd s ASP 77 Ca 0.11 -0.40 -0.14 0.00 0.71 0.00 0.00 52.55 52.83 1gxd s ASP 77 Cb 0.01 -2.51 0.18 0.00 1.01 0.00 0.00 42.92 41.61 1gxd s ASP 77 CO -0.01 -1.59 1.17 -0.69 0.21 0.00 0.00 175.17 174.26 1gxd s VAL 78 N 4.97 1.91 0.00 -1.27 1.01 -1.26 -3.90 120.40 121.86 1gxd s VAL 78 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1gxd s VAL 78 Cb -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1gxd s VAL 78 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1gxd n GLY 79 N -2.20 1.71 0.00 4.51 0.00 -1.00 -3.16 105.19 105.06 1gxd n GLY 79 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.10 0.87 0.13 -0.02 0.00 -1.13 -4.92 105.19 99.01 1gxd n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1gxd n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxd h LYS 81 N 0.00 0.42 0.00 1.61 1.79 -1.68 -3.49 116.57 115.22 1gxd h LYS 81 Ca 0.00 -0.72 0.00 0.00 -2.18 0.00 0.00 60.65 57.75 1gxd h LYS 81 Cb 0.00 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1gxd h LYS 81 CO 0.00 1.34 0.00 1.63 -1.08 0.00 0.00 179.45 181.34 1gxd n LYS 82 N -3.63 0.00 -3.56 3.15 5.02 -1.26 -5.11 118.16 112.78 1gxd n LYS 82 Ca -0.15 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.97 1gxd n LYS 82 Cb 1.07 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.02 1gxd n LYS 82 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1gxd s GLU 83 N 0.06 0.99 0.04 1.97 -1.05 -1.26 -4.56 118.70 114.88 1gxd s GLU 83 Ca 0.00 0.37 0.04 0.00 -0.15 0.00 0.00 54.97 55.23 1gxd s GLU 83 Cb 0.00 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1gxd s GLU 83 CO 0.00 -0.28 -0.11 0.71 0.95 0.00 0.00 175.26 176.53 1gxd s TYR 84 N -0.90 0.95 -0.90 4.83 1.51 -0.84 -2.59 117.35 119.42 1gxd s TYR 84 Ca -0.09 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.39 1gxd s TYR 84 Cb -0.01 -0.56 0.12 0.00 -0.11 0.00 0.00 41.96 41.40 1gxd s TYR 84 CO 0.08 -0.00 1.10 -1.17 -1.11 0.00 0.00 175.55 174.45 1gxd s LEU 85 N -1.28 4.98 0.36 -1.29 2.96 -0.09 -2.77 118.68 121.55 1gxd s LEU 85 Ca -0.03 -1.92 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 1gxd s LEU 85 Cb -0.08 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1gxd s LEU 85 CO 0.01 -1.10 0.56 -0.63 -1.32 0.00 0.00 176.35 173.87 1gxd s ILE 86 N 2.84 5.09 -0.28 6.68 1.01 -0.20 -3.82 121.20 132.53 1gxd s ILE 86 Ca 0.31 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 1gxd s ILE 86 Cb -0.06 -3.86 0.10 0.00 0.01 0.00 0.00 42.46 38.65 1gxd s ILE 86 CO -0.07 -0.58 0.90 0.00 0.00 0.00 0.00 174.94 175.19 1gxd s ALA 87 N -2.35 -1.91 0.00 9.38 0.00 -1.25 0.30 121.76 125.93 1gxd s ALA 87 Ca 0.40 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.33 1gxd s ALA 87 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1gxd s ALA 87 CO 0.37 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1gxd n GLY 88 N 2.52 -0.83 3.75 0.00 0.00 -0.94 -4.13 105.19 105.55 1gxd n GLY 88 Ca -0.13 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1gxd n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxd s LYS 89 N -0.74 4.54 -0.07 1.61 1.02 -1.22 -1.75 119.74 123.14 1gxd s LYS 89 Ca 0.00 1.88 -0.18 0.00 0.02 0.00 0.00 55.97 57.69 1gxd s LYS 89 Cb 0.00 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.07 1gxd s LYS 89 CO 0.00 0.04 0.50 0.00 -0.92 0.00 0.00 175.35 174.97 1gxd s ALA 90 N -0.69 3.50 -0.76 5.17 0.00 -1.26 -1.72 121.76 126.00 1gxd s ALA 90 Ca 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1gxd s ALA 90 Cb -0.33 -2.64 0.19 0.00 0.00 0.00 0.00 23.12 20.34 1gxd s ALA 90 CO 0.41 0.11 0.62 -1.21 0.00 0.00 0.00 175.76 175.68 1gxd s GLU 91 N 0.18 2.99 0.33 0.00 0.41 -0.37 -4.83 118.70 117.41 1gxd s GLU 91 Ca 0.27 -2.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.00 1gxd s GLU 91 Cb -0.16 -3.91 0.00 0.00 -1.78 0.00 0.00 34.13 28.28 1gxd s GLU 91 CO 0.13 -1.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.08 1gxd n GLY 92 N 3.06 -2.20 3.54 -1.39 0.00 -1.26 -3.40 105.19 103.55 1gxd n GLY 92 Ca 0.14 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.75 1.99 0.00 1.61 8.00 -1.26 -1.76 116.55 121.38 1gxd n ASP 93 Ca -0.02 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1gxd n ASP 93 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 6.12 0.62 3.37 0.44 0.00 -1.26 -5.01 105.19 109.47 1gxd n GLY 94 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.78 1.41 -0.01 1.61 1.02 -0.72 -1.41 119.74 120.86 1gxd s LYS 95 Ca 0.00 -1.67 -0.19 0.00 0.02 0.00 0.00 55.97 54.14 1gxd s LYS 95 Cb 0.00 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.24 1gxd s LYS 95 CO 0.00 0.11 0.40 0.00 -0.92 0.00 0.00 175.35 174.94 1gxd s MET 96 N -3.69 0.79 -0.11 1.68 0.23 -0.92 -1.24 119.30 116.03 1gxd s MET 96 Ca 0.25 -0.13 0.01 0.00 -1.03 0.00 0.00 55.69 54.80 1gxd s MET 96 Cb 0.01 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1gxd s MET 96 CO 0.09 -0.23 -0.16 -1.58 -2.03 0.00 0.00 175.02 171.10 1gxd s HIS 97 N -1.47 2.73 0.07 3.16 5.04 -0.70 0.35 115.29 124.47 1gxd s HIS 97 Ca -0.12 -0.70 0.06 0.00 -1.54 0.00 0.00 55.06 52.75 1gxd s HIS 97 Cb -0.03 -1.79 -0.03 0.00 0.04 0.00 0.00 32.58 30.77 1gxd s HIS 97 CO 0.04 -0.23 -0.15 0.96 -2.34 0.00 0.00 174.74 173.02 1gxd s ILE 98 N 0.25 1.21 0.47 0.89 -4.36 -1.05 -3.44 121.20 115.16 1gxd s ILE 98 Ca -0.11 -1.27 0.03 0.00 -0.26 0.00 0.00 60.65 59.03 1gxd s ILE 98 Cb -0.16 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 1gxd s ILE 98 CO 0.06 -0.15 0.09 0.42 0.24 0.00 0.00 174.94 175.60 1gxd s THR 99 N -1.16 0.73 0.18 8.37 -4.23 -1.26 -4.56 115.64 113.71 1gxd s THR 99 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1gxd s THR 99 Cb -0.10 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1gxd s THR 99 CO 0.02 0.00 1.50 0.25 -0.54 0.00 0.00 174.62 175.86 1gxd h LEU 100 N 1.54 0.76 0.00 4.79 5.85 -1.90 -2.81 115.31 123.54 1gxd h LEU 100 Ca -0.38 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1gxd h LEU 100 Cb 1.30 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1gxd h LEU 100 CO 0.62 1.11 0.00 0.00 -0.34 0.00 0.00 178.44 179.83 1gxd s ASP 102 N -2.81 7.45 -0.89 0.00 1.11 -1.06 -4.86 116.67 115.60 1gxd s ASP 102 Ca 0.01 2.08 -0.12 0.00 0.18 0.00 0.00 52.55 54.69 1gxd s ASP 102 Cb 0.00 -2.61 -0.27 0.00 1.07 0.00 0.00 42.92 41.11 1gxd s ASP 102 CO 0.01 -0.01 2.12 0.33 1.18 0.00 0.00 175.17 178.80 1gxd n PHE 103 N 1.57 0.25 -3.84 4.23 7.35 -1.26 -4.86 117.46 120.91 1gxd n PHE 103 Ca -0.01 -0.01 -0.36 0.00 -0.76 0.00 0.00 57.45 56.32 1gxd n PHE 103 Cb 0.46 -0.97 -0.11 0.00 0.35 0.00 0.00 39.48 39.21 1gxd n PHE 103 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1gxd s ILE 104 N 3.36 4.74 -0.29 -2.13 1.01 -1.26 -3.94 121.20 122.69 1gxd s ILE 104 Ca 1.14 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 1gxd s ILE 104 Cb -0.63 -3.19 0.10 0.00 0.01 0.00 0.00 42.46 38.75 1gxd s ILE 104 CO 0.42 0.38 0.69 0.68 0.00 0.00 0.00 174.94 177.11 1gxd s VAL 105 N 1.06 -0.29 0.79 2.92 -7.23 -1.25 -5.07 120.40 111.34 1gxd s VAL 105 Ca 0.05 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.09 1gxd s VAL 105 Cb -0.14 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.87 1gxd s VAL 105 CO 0.04 0.00 1.20 -2.84 -0.31 0.00 0.00 175.10 173.18 1gxd s PRO 106 N 1.99 1.76 -0.04 4.82 0.02 -1.26 -0.91 135.00 141.38 1gxd s PRO 106 Ca -0.09 1.71 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 1gxd s PRO 106 Cb -0.07 -1.79 -0.19 0.00 0.02 0.00 0.00 34.50 32.46 1gxd s PRO 106 CO -0.20 -2.12 1.13 2.35 -0.33 0.00 0.00 177.00 177.84 1gxd h TRP 107 N -0.82 -0.08 -4.15 6.54 2.91 -1.83 -3.41 115.95 115.12 1gxd h TRP 107 Ca -0.46 -0.00 -0.54 0.00 1.13 0.00 0.00 58.89 59.02 1gxd h TRP 107 Cb 1.29 0.03 0.15 0.00 -0.51 0.00 0.00 29.16 30.11 1gxd h TRP 107 CO 0.48 0.43 0.43 -0.51 -1.03 0.00 0.00 178.44 178.23 1gxd s ASP 108 N -5.63 4.47 -0.52 2.65 1.01 -1.26 -2.92 116.67 114.46 1gxd s ASP 108 Ca -0.15 2.40 -0.03 0.00 0.71 0.00 0.00 52.55 55.48 1gxd s ASP 108 Cb 0.01 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1gxd s ASP 108 CO 0.62 -2.08 0.43 0.35 0.21 0.00 0.00 175.17 174.70 1gxd n THR 109 N -2.37 -1.10 -4.33 -1.27 -2.24 -1.26 -5.06 114.28 96.65 1gxd n THR 109 Ca 0.14 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 1gxd n THR 109 Cb 0.50 -2.40 -0.10 0.00 -2.10 0.00 0.00 70.33 66.22 1gxd n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gxd s LEU 110 N -3.34 2.53 0.25 3.22 1.43 -1.15 -4.86 118.68 116.76 1gxd s LEU 110 Ca 0.21 -0.98 0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1gxd s LEU 110 Cb -0.09 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1gxd s LEU 110 CO 0.26 -0.16 -0.07 -0.94 0.23 0.00 0.00 176.35 175.68 1gxd s SER 111 N -3.17 4.26 0.66 2.29 1.04 -1.26 -4.92 113.70 112.60 1gxd s SER 111 Ca 0.20 -0.71 0.38 0.00 0.48 0.00 0.00 55.95 56.30 1gxd s SER 111 Cb -0.02 -0.69 2.06 0.00 0.10 0.00 0.00 66.02 67.48 1gxd s SER 111 CO 0.06 0.04 2.18 0.74 0.98 0.00 0.00 173.24 177.24 1gxd h THR 112 N 2.20 0.05 0.00 2.02 2.02 -2.02 1.03 112.91 118.21 1gxd h THR 112 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1gxd h THR 112 Cb 1.24 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1gxd h THR 112 CO 0.59 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.89 1gxd n THR 113 N -3.09 0.43 0.00 3.16 -1.04 -1.26 -2.42 114.28 110.06 1gxd n THR 113 Ca -0.02 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1gxd n THR 113 Cb 0.21 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1gxd n THR 113 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gxd n GLN 114 N -1.45 0.16 0.00 -2.82 6.02 0.16 -4.43 117.38 115.01 1gxd n GLN 114 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 1gxd n GLN 114 Cb 0.24 -0.84 0.65 0.00 1.02 0.00 0.00 30.24 31.32 1gxd n GLN 114 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1gxd n LYS 115 N -2.13 0.56 -0.00 -1.09 2.85 0.30 -3.25 118.16 115.40 1gxd n LYS 115 Ca 0.00 0.03 -0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1gxd n LYS 115 Cb 0.34 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.21 1gxd n LYS 115 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1gxd n LYS 116 N -1.13 2.52 -0.48 -1.58 0.00 -1.02 -4.75 118.16 111.72 1gxd n LYS 116 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.42 1gxd n LYS 116 Cb 0.13 -1.02 0.14 0.00 0.00 0.00 0.00 35.03 34.28 1gxd n LYS 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1gxd n SER 117 N -1.85 3.26 -0.08 3.14 2.88 -1.20 -4.16 113.62 115.61 1gxd n SER 117 Ca -0.01 -2.57 -0.10 0.00 -1.33 0.00 0.00 58.87 54.86 1gxd n SER 117 Cb 0.34 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 1gxd n SER 117 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1gxd n LEU 118 N 0.03 0.32 0.00 2.46 4.77 -1.26 -0.73 117.00 122.59 1gxd n LEU 118 Ca 0.20 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1gxd n LEU 118 Cb 0.86 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 1gxd n LEU 118 CO 0.21 0.49 0.35 0.59 -1.33 0.00 0.00 177.39 177.70 1gxd n ASN 119 N -2.84 0.00 0.00 -1.43 3.02 -1.26 -4.44 115.26 108.31 1gxd n ASN 119 Ca -0.30 0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1gxd n ASN 119 Cb 1.13 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 1gxd n ASN 119 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1gxd n HIS 120 N -1.32 0.00 0.26 3.10 -0.00 -1.26 -4.77 115.22 111.23 1gxd n HIS 120 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 1gxd n HIS 120 Cb 0.00 0.00 0.62 0.00 -0.12 0.00 0.00 29.99 30.49 1gxd n HIS 120 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1gxd h ARG 121 N 0.00 0.00 0.13 1.57 3.08 -1.82 -3.08 114.38 114.27 1gxd h ARG 121 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1gxd h ARG 121 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1gxd h ARG 121 CO 0.00 0.10 -1.84 1.88 -1.07 0.00 0.00 179.97 179.04 1gxd h TYR 122 N 0.00 0.51 -0.37 3.04 0.05 -1.15 -3.38 116.97 115.67 1gxd h TYR 122 Ca -0.00 -0.37 0.05 0.00 0.05 0.00 0.00 58.73 58.46 1gxd h TYR 122 Cb 0.57 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.24 1gxd h TYR 122 CO 0.00 1.73 0.09 0.37 -1.05 0.00 0.00 178.16 179.30 1gxd h GLN 123 N -0.02 0.22 -0.58 4.88 5.75 -1.82 -2.67 115.11 120.87 1gxd h GLN 123 Ca -0.39 -0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.33 1gxd h GLN 123 Cb 1.98 -0.05 -0.10 0.00 1.07 0.00 0.00 27.48 30.38 1gxd h GLN 123 CO 0.09 0.14 0.27 -1.33 -2.65 0.00 0.00 178.83 175.35 1gxd n MET 124 N -5.07 -0.04 -0.45 1.69 2.81 -1.17 0.24 117.12 115.14 1gxd n MET 124 Ca 0.02 0.80 -0.08 0.00 -1.81 0.00 0.00 57.70 56.63 1gxd n MET 124 Cb 0.16 -1.42 0.05 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.17 2.91 0.07 3.03 0.00 -1.01 -4.27 105.19 104.75 1gxd n GLY 125 Ca 0.21 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.58 -0.11 -1.47 0.00 1.02 -1.26 -4.43 120.64 109.81 1gxd n GLU 127 Ca -0.06 1.46 -0.38 0.00 -0.02 0.00 0.00 57.16 58.16 1gxd n GLU 127 Cb 0.22 -2.18 0.04 0.00 -0.02 0.00 0.00 31.44 29.50 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 -2.10 0.30 0.14 0.00 1.02 -1.25 -5.02 119.74 112.85 1gxd s LYS 129 Ca 0.69 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 55.72 1gxd s LYS 129 Cb -0.44 -1.34 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1gxd s LYS 129 CO 0.54 -1.01 1.42 0.42 -0.92 0.00 0.00 175.35 175.80 1gxd s ILE 130 N 1.99 3.10 0.00 2.17 1.01 -1.26 -3.73 121.20 124.49 1gxd s ILE 130 Ca 0.09 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1gxd s ILE 130 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1gxd s ILE 130 CO -0.34 0.07 0.00 0.41 0.00 0.00 0.00 174.94 175.08 1gxd n THR 131 N 3.68 0.00 -3.68 2.92 -1.04 0.16 -4.89 114.28 111.44 1gxd n THR 131 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1gxd n THR 131 Cb 0.41 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.83 1gxd n THR 131 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1gxd s ARG 132 N 1.13 0.59 -0.68 -2.82 0.52 -1.26 -4.29 118.95 112.13 1gxd s ARG 132 Ca 0.00 0.89 -0.27 0.00 -0.52 0.00 0.00 55.73 55.83 1gxd s ARG 132 Cb 0.00 0.17 0.03 0.00 0.52 0.00 0.00 34.95 35.68 1gxd s ARG 132 CO 0.00 -0.12 1.21 0.00 0.02 0.00 0.00 175.30 176.41 1gxd h PRO 134 N 9.83 0.88 -2.20 0.00 0.11 -1.91 -3.47 132.00 135.24 1gxd h PRO 134 Ca -0.27 -0.08 0.22 0.00 0.11 0.00 0.00 66.00 65.98 1gxd h PRO 134 Cb 1.05 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 1gxd h PRO 134 CO 1.24 0.63 0.64 0.00 -0.21 0.00 0.00 178.00 180.30 1gxd s MET 135 N -5.63 0.98 -0.17 1.05 0.23 -1.26 -5.12 119.30 109.38 1gxd s MET 135 Ca -0.10 -0.59 -0.29 0.00 -1.03 0.00 0.00 55.69 53.67 1gxd s MET 135 Cb 0.17 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1gxd s MET 135 CO 0.78 -0.45 1.20 0.42 -2.03 0.00 0.00 175.02 174.93 1gxd s ILE 136 N -2.55 4.39 0.36 3.16 -1.09 -1.26 -3.49 121.20 120.72 1gxd s ILE 136 Ca 0.18 1.68 0.05 0.00 -2.23 0.00 0.00 60.65 60.33 1gxd s ILE 136 Cb -0.00 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1gxd s ILE 136 CO 0.02 -0.13 0.38 -0.81 -1.23 0.00 0.00 174.94 173.17 1gxd n PRO 137 N 6.39 0.86 -4.28 2.79 -0.05 -1.26 -5.21 135.00 134.23 1gxd n PRO 137 Ca 0.13 -2.07 -0.17 0.00 -0.05 0.00 0.00 63.50 61.34 1gxd n PRO 137 Cb 0.45 0.04 -0.09 0.00 -0.05 0.00 0.00 33.50 33.85 1gxd n PRO 137 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1gxd s TYR 139 N -3.72 1.48 -0.40 0.00 1.51 -1.26 -5.13 117.35 109.84 1gxd s TYR 139 Ca 0.38 -1.52 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1gxd s TYR 139 Cb 0.05 -0.57 0.12 0.00 -0.11 0.00 0.00 41.96 41.45 1gxd s TYR 139 CO 0.19 -0.86 0.16 0.96 -1.11 0.00 0.00 175.55 174.89 1gxd s ILE 140 N -3.57 1.77 0.26 2.71 -4.36 -1.26 -4.87 121.20 111.87 1gxd s ILE 140 Ca 0.38 -2.39 -0.04 0.00 -0.26 0.00 0.00 60.65 58.34 1gxd s ILE 140 Cb 0.03 -2.27 0.19 0.00 1.25 0.00 0.00 42.46 41.66 1gxd s ILE 140 CO 0.22 -0.74 1.86 0.28 0.24 0.00 0.00 174.94 176.80 1gxd h SER 141 N 7.24 0.99 -3.64 4.36 0.02 -2.00 -3.43 113.55 117.09 1gxd h SER 141 Ca -0.06 -0.11 -0.51 0.00 -0.84 0.00 0.00 61.79 60.27 1gxd h SER 141 Cb 0.97 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1gxd h SER 141 CO 0.53 0.84 0.06 -0.55 -1.14 0.00 0.00 176.83 176.57 1gxd s SER 142 N -6.37 6.81 0.00 3.07 0.15 -1.26 -5.02 113.70 111.08 1gxd s SER 142 Ca -0.12 1.25 -0.25 0.00 0.70 0.00 0.00 55.95 57.53 1gxd s SER 142 Cb 0.16 -2.36 -0.18 0.00 -1.71 0.00 0.00 66.02 61.93 1gxd s SER 142 CO 0.82 -0.13 1.36 -0.65 1.20 0.00 0.00 173.24 175.84 1gxd h PRO 143 N 2.57 0.05 -2.42 5.44 0.11 -1.97 -3.32 132.00 132.46 1gxd h PRO 143 Ca -0.48 -0.02 -0.71 0.00 0.11 0.00 0.00 66.00 64.90 1gxd h PRO 143 Cb 1.18 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 1gxd h PRO 143 CO 0.66 0.44 1.76 -0.40 -0.21 0.00 0.00 178.00 180.25 1gxd n ASP 144 N -4.86 7.63 -3.76 -2.05 5.68 -1.26 -3.29 116.55 114.64 1gxd n ASP 144 Ca -0.08 -3.28 -0.13 0.00 -0.50 0.00 0.00 54.79 50.81 1gxd n ASP 144 Cb 0.22 -1.29 -0.10 0.00 -1.14 0.00 0.00 41.12 38.81 1gxd n ASP 144 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1gxd s GLU 145 N -1.92 0.45 -0.04 0.11 -1.05 -1.25 -3.76 118.70 111.23 1gxd s GLU 145 Ca 0.52 0.31 -0.00 0.00 -0.15 0.00 0.00 54.97 55.65 1gxd s GLU 145 Cb 0.23 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 1gxd s GLU 145 CO -0.14 -0.08 0.01 0.00 0.95 0.00 0.00 175.26 176.00 1gxd s LEU 147 N -1.22 4.12 -0.30 0.00 2.96 -1.26 0.37 118.68 123.35 1gxd s LEU 147 Ca 0.17 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.45 1gxd s LEU 147 Cb -0.11 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1gxd s LEU 147 CO 0.06 -0.50 0.46 0.86 -1.32 0.00 0.00 176.35 175.92 1gxd s TRP 148 N 2.68 3.23 -0.19 5.38 -0.00 -1.26 -4.93 118.94 123.84 1gxd s TRP 148 Ca 0.27 0.38 0.14 0.00 -0.00 0.00 0.00 56.10 56.89 1gxd s TRP 148 Cb -0.15 -2.74 0.39 0.00 -0.00 0.00 0.00 33.47 30.97 1gxd s TRP 148 CO 0.11 -0.36 1.23 0.00 -0.00 0.00 0.00 176.95 177.94 1gxd n MET 149 N 5.54 1.58 -0.01 5.86 0.00 -1.26 -2.57 117.12 126.26 1gxd n MET 149 Ca -0.06 -3.03 -0.15 0.00 0.00 0.00 0.00 57.70 54.46 1gxd n MET 149 Cb 0.50 -1.61 -0.09 0.00 0.00 0.00 0.00 33.22 32.01 1gxd n MET 149 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 1gxd h ASP 150 N 0.71 -1.69 0.56 3.17 2.03 -1.90 0.49 116.42 119.79 1gxd h ASP 150 Ca 0.02 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1gxd h ASP 150 Cb 1.10 0.66 0.00 0.00 -0.83 0.00 0.00 39.33 40.26 1gxd h ASP 150 CO 0.05 -0.48 0.00 -2.67 -1.03 0.00 0.00 179.24 175.12 1gxd n TRP 151 N -5.44 0.59 0.48 4.15 4.27 -1.26 -2.52 117.44 117.71 1gxd n TRP 151 Ca -0.06 0.24 0.05 0.00 -3.89 0.00 0.00 57.50 53.85 1gxd n TRP 151 Cb 0.38 -0.89 -0.01 0.00 -1.36 0.00 0.00 31.31 29.43 1gxd n TRP 151 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 1gxd n VAL 152 N -2.05 0.00 0.00 -1.67 3.14 -0.27 -4.31 118.33 113.17 1gxd n VAL 152 Ca 0.02 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1gxd n VAL 152 Cb 0.18 1.12 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 1gxd n VAL 152 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1gxd n THR 153 N -0.31 0.00 0.28 1.55 -1.04 0.16 -4.34 114.28 110.58 1gxd n THR 153 Ca 0.04 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.23 1gxd n THR 153 Cb 0.22 -0.41 0.94 0.00 -1.82 0.00 0.00 70.33 69.27 1gxd n THR 153 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1gxd h GLU 154 N 0.00 0.00 0.00 -2.82 4.39 -1.86 -3.43 114.58 110.85 1gxd h GLU 154 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gxd h GLU 154 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1gxd h GLU 154 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 1gxd n LYS 155 N -3.63 0.00 -3.83 2.33 5.02 -1.26 -5.06 118.16 111.73 1gxd n LYS 155 Ca -0.01 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1gxd n LYS 155 Cb 0.18 -1.94 -0.16 0.00 -0.02 0.00 0.00 35.03 33.09 1gxd n LYS 155 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1gxd s ASN 156 N -2.55 0.16 0.17 4.39 3.84 -1.26 -5.01 114.94 114.69 1gxd s ASN 156 Ca 0.00 0.02 0.09 0.00 0.21 0.00 0.00 52.86 53.18 1gxd s ASN 156 Cb 0.00 -0.10 -0.08 0.00 -0.55 0.00 0.00 41.25 40.52 1gxd s ASN 156 CO 0.00 -0.11 1.36 0.16 -2.79 0.00 0.00 177.10 175.72 1gxd h ILE 157 N 6.17 1.49 -1.20 -5.21 3.07 -1.89 -3.40 117.51 116.54 1gxd h ILE 157 Ca -0.43 -3.01 -0.65 0.00 1.55 0.00 0.00 64.86 62.32 1gxd h ILE 157 Cb 1.13 2.68 -0.10 0.00 -0.27 0.00 0.00 36.82 40.25 1gxd h ILE 157 CO 0.48 0.83 1.73 0.21 -1.05 0.00 0.00 178.15 180.35 1gxd s ASN 158 N -6.66 6.70 0.00 2.16 3.84 -1.26 -4.75 114.94 114.97 1gxd s ASN 158 Ca 0.01 -2.05 0.00 0.00 0.21 0.00 0.00 52.86 51.04 1gxd s ASN 158 Cb 0.10 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1gxd s ASN 158 CO 0.80 -1.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.45 1gxd n GLY 159 N 5.92 2.90 0.00 1.21 0.00 -1.26 -5.02 105.19 108.94 1gxd n GLY 159 Ca 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1gxd n GLY 159 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gxd n HIS 160 N 0.00 0.00 0.40 1.61 8.25 -1.26 -3.05 115.22 121.17 1gxd n HIS 160 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1gxd n HIS 160 Cb 0.00 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.22 1gxd n HIS 160 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1gxd h GLN 161 N 0.00 0.00 0.00 -0.41 -0.00 -1.94 -3.32 115.11 109.44 1gxd h GLN 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1gxd h GLN 161 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1gxd h GLN 161 CO 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 178.83 178.10 1gxd n ALA 162 N -1.95 2.19 -0.32 3.38 0.00 -1.17 -4.57 120.51 118.06 1gxd n ALA 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1gxd n ALA 162 Cb 0.48 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1gxd n ALA 162 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gxd n LYS 163 N -2.34 0.00 0.26 0.00 5.02 -1.18 -3.67 118.16 116.25 1gxd n LYS 163 Ca 0.00 0.34 0.15 0.00 -2.02 0.00 0.00 58.31 56.78 1gxd n LYS 163 Cb 0.36 -1.29 0.57 0.00 -0.02 0.00 0.00 35.03 34.65 1gxd n LYS 163 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1gxd h PHE 164 N 0.00 0.00 -3.33 2.13 -1.00 -1.82 -3.45 116.94 109.48 1gxd h PHE 164 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1gxd h PHE 164 Cb 0.00 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1gxd h PHE 164 CO 0.14 0.04 0.03 -0.06 -1.61 0.00 0.00 178.31 176.85 1gxd s PHE 165 N -3.60 3.83 -0.06 -0.55 0.08 -1.24 -4.03 117.98 112.40 1gxd s PHE 165 Ca 0.02 1.37 -0.02 0.00 0.12 0.00 0.00 56.93 58.42 1gxd s PHE 165 Cb 0.09 -2.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1gxd s PHE 165 CO 0.58 0.56 0.13 0.00 -0.10 0.00 0.00 175.22 176.38 1gxd s ALA 166 N -1.14 -0.21 -1.22 5.36 0.00 -1.25 -4.67 121.76 118.62 1gxd s ALA 166 Ca 0.31 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 1gxd s ALA 166 Cb -0.20 -0.42 0.12 0.00 0.00 0.00 0.00 23.12 22.62 1gxd s ALA 166 CO 0.21 -0.15 1.55 0.00 0.00 0.00 0.00 175.76 177.37 1gxd s ILE 168 N 3.00 4.44 -0.17 0.00 -1.09 -0.48 -4.11 121.20 122.78 1gxd s ILE 168 Ca 0.47 1.26 -0.21 0.00 -2.23 0.00 0.00 60.65 59.95 1gxd s ILE 168 Cb 0.00 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1gxd s ILE 168 CO 0.02 -0.58 0.61 -0.75 -1.23 0.00 0.00 174.94 173.02 1gxd s LYS 169 N -3.83 4.26 1.17 2.79 2.20 -1.26 -0.81 119.74 124.26 1gxd s LYS 169 Ca 0.60 0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.68 1gxd s LYS 169 Cb -0.10 -3.54 0.28 0.00 -1.51 0.00 0.00 37.83 32.95 1gxd s LYS 169 CO 0.27 -0.14 1.04 1.03 -0.36 0.00 0.00 175.35 177.18 1gxd s ARG 170 N 1.58 -0.97 0.00 4.03 1.81 1.59 -4.91 118.95 122.08 1gxd s ARG 170 Ca 0.29 0.51 0.19 0.00 -1.72 0.00 0.00 55.73 55.01 1gxd s ARG 170 Cb -0.16 -1.57 0.85 0.00 -0.45 0.00 0.00 34.95 33.62 1gxd s ARG 170 CO 0.11 -3.67 1.62 0.43 -0.68 0.00 0.00 175.30 173.11 1gxd n SER 171 N -4.83 0.00 -0.30 0.23 7.64 -1.26 -3.05 113.62 112.04 1gxd n SER 171 Ca 0.06 0.41 0.07 0.00 1.01 0.00 0.00 58.87 60.42 1gxd n SER 171 Cb 0.57 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.46 1.45 0.00 6.43 5.75 -1.26 -4.97 116.55 122.49 1gxd n ASP 172 Ca 0.06 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1gxd n ASP 172 Cb 0.21 0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 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 1.13 1.04 3.97 6.12 0.00 -1.17 -5.12 105.19 111.16 1gxd n GLY 173 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.96 4.80 0.49 1.61 0.01 -1.26 -4.50 113.70 113.88 1gxd s SER 174 Ca 0.00 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.18 1gxd s SER 174 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1gxd s SER 174 CO 0.00 -1.27 0.07 0.00 0.41 0.00 0.00 173.24 172.46 1gxd s ALA 176 N -2.80 -2.12 1.02 0.00 0.00 0.01 -4.74 121.76 113.12 1gxd s ALA 176 Ca 0.19 1.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.85 1gxd s ALA 176 Cb 0.03 -1.22 0.21 0.00 0.00 0.00 0.00 23.12 22.14 1gxd s ALA 176 CO 0.10 -0.31 1.21 -1.58 0.00 0.00 0.00 175.76 175.18 1gxd s TRP 177 N -1.27 1.49 0.35 0.00 0.51 -1.26 -1.39 118.94 117.37 1gxd s TRP 177 Ca 0.09 0.51 -0.17 0.00 -2.12 0.00 0.00 56.10 54.41 1gxd s TRP 177 Cb -0.01 -3.72 0.06 0.00 -0.81 0.00 0.00 33.47 28.99 1gxd s TRP 177 CO -0.06 -2.95 0.85 -0.47 -0.51 0.00 0.00 176.95 173.81 1gxd s TYR 178 N -3.46 0.13 -0.30 -1.98 5.04 -1.16 -4.84 117.35 110.77 1gxd s TYR 178 Ca 0.70 -0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 54.47 1gxd s TYR 178 Cb -0.08 0.82 0.19 0.00 0.35 0.00 0.00 41.96 43.23 1gxd s TYR 178 CO 0.54 -1.45 1.02 0.50 -1.34 0.00 0.00 175.55 174.82 1gxd s ARG 179 N -2.15 0.18 0.00 4.97 3.52 -1.26 -3.86 118.95 120.36 1gxd s ARG 179 Ca 0.17 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1gxd s ARG 179 Cb -0.05 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1gxd s ARG 179 CO 0.10 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1gxd n GLY 180 N 4.82 0.83 3.20 8.12 0.00 -1.26 -4.97 105.19 115.94 1gxd n GLY 180 Ca 0.09 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 1gxd n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxd s ALA 181 N -1.22 4.27 0.02 4.61 0.00 -1.26 -5.03 121.76 123.15 1gxd s ALA 181 Ca 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 51.96 48.18 1gxd s ALA 181 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1gxd s ALA 181 CO 0.00 -2.18 0.17 0.00 0.00 0.00 0.00 175.76 173.75 1gxd s ALA 182 N -0.94 -0.33 0.00 0.00 0.00 -1.26 -5.16 121.76 114.07 1gxd s ALA 182 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1gxd s ALA 182 Cb -0.10 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1gxd s ALA 182 CO -0.09 -0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.02 1gxd n PRO 183 N 1.01 0.36 -2.08 0.00 -0.04 -1.26 -4.98 135.00 128.02 1gxd n PRO 183 Ca -0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1gxd n PRO 183 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1gxd n PRO 183 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1gxd s PRO 184 N 1.25 4.32 -0.28 0.54 0.02 -1.26 -5.01 135.00 134.58 1gxd s PRO 184 Ca 0.00 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 1gxd s PRO 184 Cb 0.00 -3.08 0.11 0.00 0.02 0.00 0.00 34.50 31.56 1gxd s PRO 184 CO 0.00 -0.26 0.21 0.15 -0.33 0.00 0.00 177.00 176.76 1gxd s LYS 185 N -1.44 0.24 0.00 5.54 1.02 -1.26 -5.09 119.74 118.75 1gxd s LYS 185 Ca 0.52 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1gxd s LYS 185 Cb -0.40 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1gxd s LYS 185 CO 0.51 -0.99 0.00 1.04 -0.92 0.00 0.00 175.35 174.99 1gxd n GLN 186 N 5.28 0.00 -3.65 1.68 1.13 -1.26 -5.06 117.38 115.50 1gxd n GLN 186 Ca -0.04 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.65 1gxd n GLN 186 Cb 0.45 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.73 1gxd n GLN 186 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1gxd s GLU 187 N 2.29 4.06 -0.02 -1.09 -1.05 -1.26 -5.02 118.70 116.62 1gxd s GLU 187 Ca 0.00 -0.01 -0.37 0.00 -0.15 0.00 0.00 54.97 54.44 1gxd s GLU 187 Cb 0.00 -3.36 -0.16 0.00 -0.44 0.00 0.00 34.13 30.16 1gxd s GLU 187 CO 0.00 0.39 1.48 1.19 0.95 0.00 0.00 175.26 179.27 1gxd n PHE 188 N 3.13 1.72 -4.32 4.83 3.72 -1.26 -4.90 117.46 120.38 1gxd n PHE 188 Ca -0.15 0.57 -0.19 0.00 -0.05 0.00 0.00 57.45 57.63 1gxd n PHE 188 Cb 0.52 -2.39 -0.13 0.00 -0.94 0.00 0.00 39.48 36.55 1gxd n PHE 188 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1gxd s LEU 189 N 1.47 2.18 -0.23 4.37 2.96 -1.26 -5.12 118.68 123.04 1gxd s LEU 189 Ca 0.88 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1gxd s LEU 189 Cb -0.97 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 45.21 1gxd s LEU 189 CO 0.52 0.01 -0.13 -1.81 -1.32 0.00 0.00 176.35 173.62 1gxd s ASP 190 N -1.16 4.00 -0.83 3.68 1.11 -1.26 -5.04 116.67 117.17 1gxd s ASP 190 Ca 0.01 -1.15 -0.25 0.00 0.18 0.00 0.00 52.55 51.34 1gxd s ASP 190 Cb -0.08 -1.50 -0.19 0.00 1.07 0.00 0.00 42.92 42.22 1gxd s ASP 190 CO 0.01 -0.13 2.22 2.30 1.18 0.00 0.00 175.17 180.75 1gxd n ILE 191 N 4.50 0.00 0.27 0.77 -5.35 -1.26 -5.31 119.36 112.98 1gxd n ILE 191 Ca -0.16 -0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.33 1gxd n ILE 191 Cb 0.45 -0.39 0.03 0.00 -1.74 0.00 0.00 39.64 37.98 1gxd n ILE 191 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17