#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxg s ASN 23 N 0.00 2.71 0.28 1.61 0.01 -1.26 -5.05 114.94 113.24 3gxg s ASN 23 Ca 0.00 0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 52.04 3gxg s ASN 23 Cb 0.00 -0.15 -0.11 0.00 0.41 0.00 0.00 41.25 41.40 3gxg s ASN 23 CO 0.00 -2.98 1.56 -0.63 -1.51 0.00 0.00 177.10 173.54 3gxg s ILE 24 N -3.90 2.18 -0.04 0.60 -1.09 -1.26 -4.98 121.20 112.71 3gxg s ILE 24 Ca 0.76 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 59.40 3gxg s ILE 24 Cb -0.03 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 3gxg s ILE 24 CO 0.54 0.02 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.43 3gxg s GLU 25 N -0.47 2.21 -1.13 2.79 2.02 -1.26 -4.83 118.70 118.03 3gxg s GLU 25 Ca 0.62 -0.84 -0.22 0.00 0.02 0.00 0.00 54.97 54.56 3gxg s GLU 25 Cb -0.47 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.80 3gxg s GLU 25 CO 0.47 0.40 0.78 0.43 0.02 0.00 0.00 175.26 177.37 3gxg n SER 26 N 2.82 -5.28 0.30 -0.19 7.64 -1.26 -4.84 113.62 112.82 3gxg n SER 26 Ca -0.17 -1.03 0.18 0.00 1.01 0.00 0.00 58.87 58.86 3gxg n SER 26 Cb 0.52 -3.22 0.99 0.00 -1.01 0.00 0.00 64.21 61.49 3gxg n SER 26 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3gxg h ILE 27 N -1.90 0.36 -0.45 0.44 2.10 -2.02 -0.38 117.51 115.67 3gxg h ILE 27 Ca -0.66 0.00 0.13 0.00 1.08 0.00 0.00 64.86 65.41 3gxg h ILE 27 Cb 1.36 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 3gxg h ILE 27 CO 0.48 0.00 0.37 1.05 -1.08 0.00 0.00 178.15 178.97 3gxg h GLU 28 N 0.00 0.00 0.00 2.19 9.09 -1.99 0.11 114.58 123.98 3gxg h GLU 28 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3gxg h GLU 28 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3gxg h GLU 28 CO -0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 3gxg n ASN 29 N -4.12 0.51 -0.94 3.06 3.02 -0.15 -1.36 115.26 115.29 3gxg n ASN 29 Ca 0.08 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.40 3gxg n ASN 29 Cb 0.57 -0.75 0.22 0.00 -0.61 0.00 0.00 39.78 39.21 3gxg n ASN 29 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gxg n LEU 30 N -2.10 2.87 -0.49 3.41 4.77 0.38 -4.49 117.00 121.34 3gxg n LEU 30 Ca 0.01 -1.10 0.09 0.00 -0.03 0.00 0.00 56.01 54.98 3gxg n LEU 30 Cb 0.16 -0.11 0.20 0.00 -2.33 0.00 0.00 43.42 41.34 3gxg n LEU 30 CO 0.15 0.55 0.64 0.00 -1.33 0.00 0.00 177.39 177.40 3gxg n GLN 31 N 1.16 2.21 0.00 3.23 6.02 -0.46 -5.09 117.38 124.45 3gxg n GLN 31 Ca 0.17 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.50 3gxg n GLN 31 Cb 0.55 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3gxg n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gxg n GLY 32 N -0.88 -0.85 3.71 1.08 0.00 -1.26 -4.87 105.19 102.12 3gxg n GLY 32 Ca 0.18 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3gxg n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxg s ILE 33 N 0.00 2.93 0.08 -0.61 1.01 -1.26 -4.89 121.20 118.47 3gxg s ILE 33 Ca 0.00 0.64 -0.34 0.00 0.00 0.00 0.00 60.65 60.95 3gxg s ILE 33 Cb 0.00 -3.41 -0.13 0.00 0.01 0.00 0.00 42.46 38.92 3gxg s ILE 33 CO 0.00 0.04 1.65 -1.14 0.00 0.00 0.00 174.94 175.49 3gxg n ARG 34 N 4.12 2.08 -2.60 2.79 0.63 -1.26 -2.62 116.66 119.80 3gxg n ARG 34 Ca 0.13 0.75 -0.18 0.00 -0.92 0.00 0.00 57.85 57.63 3gxg n ARG 34 Cb 0.40 -2.53 -0.00 0.00 0.45 0.00 0.00 32.46 30.78 3gxg n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gxg n ALA 35 N 4.24 -0.77 -2.01 5.13 0.00 -1.26 -0.46 120.51 125.37 3gxg n ALA 35 Ca 0.19 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3gxg n ALA 35 Cb 0.28 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 3gxg n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gxg s LEU 36 N -6.02 4.39 -0.17 0.00 2.96 -1.08 -3.76 118.68 114.99 3gxg s LEU 36 Ca 0.08 2.48 -0.05 0.00 -0.22 0.00 0.00 54.13 56.42 3gxg s LEU 36 Cb -0.04 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.13 3gxg s LEU 36 CO 0.10 -0.66 0.30 -1.58 -1.32 0.00 0.00 176.35 173.19 3gxg s GLN 37 N 0.45 0.21 0.26 1.98 0.74 0.73 -4.99 119.66 119.05 3gxg s GLN 37 Ca 0.62 0.69 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 3gxg s GLN 37 Cb -0.39 -0.19 -0.10 0.00 1.10 0.00 0.00 33.01 33.43 3gxg s GLN 37 CO 0.36 -0.38 1.29 -1.14 -0.55 0.00 0.00 175.29 174.87 3gxg s GLN 38 N 2.46 4.40 -0.02 1.67 0.74 -1.26 -1.37 119.66 126.28 3gxg s GLN 38 Ca 0.03 2.11 0.08 0.00 0.05 0.00 0.00 55.36 57.63 3gxg s GLN 38 Cb -0.13 -3.14 -0.13 0.00 1.10 0.00 0.00 33.01 30.71 3gxg s GLN 38 CO -0.11 -0.18 0.16 1.04 -0.55 0.00 0.00 175.29 175.65 3gxg n GLN 39 N 1.72 0.63 -3.78 1.67 1.13 0.23 -4.90 117.38 114.08 3gxg n GLN 39 Ca 0.03 -0.07 -0.04 0.00 -1.94 0.00 0.00 57.00 54.98 3gxg n GLN 39 Cb 0.42 -1.20 -0.01 0.00 0.11 0.00 0.00 30.24 29.56 3gxg n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxg s ALA 40 N -2.53 -1.56 0.49 -1.58 0.00 -0.91 -4.95 121.76 110.72 3gxg s ALA 40 Ca -0.03 0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.12 3gxg s ALA 40 Cb 0.05 0.69 1.21 0.00 0.00 0.00 0.00 23.12 25.07 3gxg s ALA 40 CO 0.35 -1.05 2.05 -1.35 0.00 0.00 0.00 175.76 175.77 3gxg h PRO 41 N 2.00 0.15 -0.19 0.00 0.11 -2.02 -1.95 132.00 130.09 3gxg h PRO 41 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gxg h PRO 41 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gxg h PRO 41 CO 0.25 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.18 3gxg n GLN 42 N -4.47 2.55 -3.75 1.05 6.02 -1.26 -4.96 117.38 112.55 3gxg n GLN 42 Ca 0.04 -2.50 -0.23 0.00 -0.01 0.00 0.00 57.00 54.31 3gxg n GLN 42 Cb 0.31 -1.57 -0.17 0.00 1.02 0.00 0.00 30.24 29.82 3gxg n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gxg s LEU 43 N -2.31 0.60 0.03 1.08 2.96 -0.74 -1.01 118.68 119.30 3gxg s LEU 43 Ca 0.32 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3gxg s LEU 43 Cb 0.25 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 3gxg s LEU 43 CO 0.08 -0.22 0.03 -0.76 -1.32 0.00 0.00 176.35 174.16 3gxg s LEU 44 N 1.99 3.64 0.08 -0.68 1.43 0.30 -0.60 118.68 124.84 3gxg s LEU 44 Ca 0.04 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 3gxg s LEU 44 Cb -0.13 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3gxg s LEU 44 CO -0.05 0.24 -0.24 -0.94 0.23 0.00 0.00 176.35 175.59 3gxg s SER 45 N -1.88 2.87 0.24 2.29 1.04 -0.47 -1.24 113.70 116.55 3gxg s SER 45 Ca 0.23 -0.64 -0.22 0.00 0.48 0.00 0.00 55.95 55.80 3gxg s SER 45 Cb -0.12 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.83 3gxg s SER 45 CO 0.15 0.16 0.82 -0.94 0.98 0.00 0.00 173.24 174.40 3gxg s SER 46 N -1.63 -0.20 0.16 7.02 1.04 -0.81 -0.19 113.70 119.08 3gxg s SER 46 Ca 0.10 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3gxg s SER 46 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3gxg s SER 46 CO 0.04 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3gxg n GLY 47 N -0.48 -1.13 3.61 7.32 0.00 0.39 -2.08 105.19 112.83 3gxg n GLY 47 Ca -0.05 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3gxg n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxg s LEU 48 N 0.00 3.72 0.35 0.99 2.96 -0.39 -4.38 118.68 121.93 3gxg s LEU 48 Ca 0.00 0.96 -0.27 0.00 -0.22 0.00 0.00 54.13 54.60 3gxg s LEU 48 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 3gxg s LEU 48 CO 0.00 -1.26 1.15 -2.84 -1.32 0.00 0.00 176.35 172.08 3gxg s PRO 49 N 4.56 4.28 0.89 0.98 0.02 -1.26 -4.49 135.00 139.98 3gxg s PRO 49 Ca 0.58 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 63.30 3gxg s PRO 49 Cb -0.14 -2.86 0.17 0.00 0.02 0.00 0.00 34.50 31.68 3gxg s PRO 49 CO 0.28 -0.12 1.24 0.54 -0.33 0.00 0.00 177.00 178.62 3gxg s ASN 50 N -1.03 3.56 0.15 2.53 2.20 -1.26 -4.92 114.94 116.17 3gxg s ASN 50 Ca 0.52 0.26 -0.17 0.00 -0.94 0.00 0.00 52.86 52.53 3gxg s ASN 50 Cb -0.31 -0.44 0.06 0.00 -2.00 0.00 0.00 41.25 38.57 3gxg s ASN 50 CO 0.40 -2.44 1.73 -0.08 -2.94 0.00 0.00 177.10 173.76 3gxg h GLU 51 N -1.35 0.19 -0.79 3.55 4.81 -2.00 -1.99 114.58 116.99 3gxg h GLU 51 Ca -0.43 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3gxg h GLU 51 Cb 1.26 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 3gxg h GLU 51 CO 0.43 0.13 0.52 0.37 -0.73 0.00 0.00 179.01 179.72 3gxg h GLN 52 N 0.20 0.92 0.00 1.92 5.75 -2.01 -2.14 115.11 119.74 3gxg h GLN 52 Ca 0.16 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3gxg h GLN 52 Cb 0.18 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.52 3gxg h GLN 52 CO -0.21 0.61 -0.13 1.96 -2.65 0.00 0.00 178.83 178.41 3gxg h GLN 53 N 0.95 0.00 -0.42 1.69 4.20 -1.74 -1.73 115.11 118.06 3gxg h GLN 53 Ca 0.32 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 3gxg h GLN 53 Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3gxg h GLN 53 CO -0.10 0.13 -0.16 0.74 -0.67 0.00 0.00 178.83 178.77 3gxg h PHE 54 N 0.00 0.89 -0.58 2.96 0.04 -1.18 0.62 116.94 119.69 3gxg h PHE 54 Ca -0.00 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 3gxg h PHE 54 Cb 0.53 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3gxg h PHE 54 CO 0.00 0.90 0.24 0.77 -0.60 0.00 0.00 178.31 179.62 3gxg h SER 55 N 0.71 0.80 -0.93 2.17 0.02 -1.36 -2.12 113.55 112.84 3gxg h SER 55 Ca 0.11 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3gxg h SER 55 Cb 0.66 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3gxg h SER 55 CO 0.05 0.75 0.59 -0.07 -1.14 0.00 0.00 176.83 177.00 3gxg h LEU 56 N 0.80 1.09 -0.21 5.07 3.38 -1.12 -1.66 115.31 122.66 3gxg h LEU 56 Ca 0.20 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3gxg h LEU 56 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3gxg h LEU 56 CO -0.02 0.81 0.11 -0.07 0.09 0.00 0.00 178.44 179.36 3gxg h LEU 57 N 1.26 0.17 -0.61 1.67 3.38 -0.68 -0.62 115.31 119.88 3gxg h LEU 57 Ca 0.34 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.39 3gxg h LEU 57 Cb -0.10 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3gxg h LEU 57 CO -0.07 0.13 0.27 0.50 0.09 0.00 0.00 178.44 179.36 3gxg h LYS 58 N 0.23 0.48 0.00 1.13 1.63 -1.12 -1.65 116.57 117.27 3gxg h LYS 58 Ca 0.08 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3gxg h LYS 58 Cb 0.01 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3gxg h LYS 58 CO -0.05 0.32 -0.16 1.96 -3.45 0.00 0.00 179.45 178.06 3gxg h GLN 59 N 0.49 0.00 -0.00 1.90 4.20 -0.75 -1.40 115.11 119.55 3gxg h GLN 59 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3gxg h GLN 59 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3gxg h GLN 59 CO -0.26 0.16 -0.03 0.00 -0.67 0.00 0.00 178.83 178.04 3gxg n ALA 60 N -2.36 2.66 0.00 3.87 0.00 -0.29 -4.90 120.51 119.49 3gxg n ALA 60 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3gxg n ALA 60 Cb 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3gxg n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxg n GLY 61 N 1.15 0.79 3.71 0.00 0.00 -0.53 -5.07 105.19 105.25 3gxg n GLY 61 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3gxg n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxg s VAL 62 N -2.00 3.21 -0.21 1.61 1.01 -0.70 -4.55 120.40 118.77 3gxg s VAL 62 Ca 0.00 0.85 0.16 0.00 0.00 0.00 0.00 61.98 62.99 3gxg s VAL 62 Cb 0.00 -3.55 -0.24 0.00 0.00 0.00 0.00 36.38 32.59 3gxg s VAL 62 CO 0.00 0.06 0.03 0.47 0.00 0.00 0.00 175.10 175.66 3gxg n ASP 63 N 4.10 0.28 -3.84 3.32 8.00 0.61 -4.41 116.55 124.62 3gxg n ASP 63 Ca 0.12 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 3gxg n ASP 63 Cb 0.42 0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 42.18 3gxg n ASP 63 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gxg s VAL 64 N -2.50 -0.00 -0.20 2.53 0.11 -0.79 -1.11 120.40 118.44 3gxg s VAL 64 Ca -0.13 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 3gxg s VAL 64 Cb 0.06 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 3gxg s VAL 64 CO 0.80 0.01 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.81 3gxg s VAL 65 N 0.13 3.20 -0.28 2.04 1.01 0.73 -1.28 120.40 125.95 3gxg s VAL 65 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3gxg s VAL 65 Cb -0.01 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3gxg s VAL 65 CO -0.00 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 174.97 3gxg s ILE 66 N 1.28 3.76 -0.29 2.22 1.01 0.68 -0.69 121.20 129.17 3gxg s ILE 66 Ca 0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3gxg s ILE 66 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3gxg s ILE 66 CO -0.03 0.14 0.12 0.21 0.00 0.00 0.00 174.94 175.38 3gxg s ASN 67 N 1.47 5.36 -1.17 3.58 2.47 0.08 -1.09 114.94 125.65 3gxg s ASN 67 Ca 0.03 -0.49 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 3gxg s ASN 67 Cb -0.17 -1.96 0.24 0.00 -1.45 0.00 0.00 41.25 37.92 3gxg s ASN 67 CO 0.01 -0.16 1.61 0.18 -3.72 0.00 0.00 177.10 175.02 3gxg n LEU 68 N 4.94 6.37 -4.28 3.21 4.77 -0.17 -1.08 117.00 130.76 3gxg n LEU 68 Ca -0.14 -4.93 -0.29 0.00 -0.03 0.00 0.00 56.01 50.61 3gxg n LEU 68 Cb 0.49 -1.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.03 3gxg n LEU 68 CO 0.33 1.48 -0.55 -2.84 -1.33 0.00 0.00 177.39 174.47 3gxg s PRO 70 N -1.14 1.93 0.63 3.23 0.02 -1.26 -0.75 135.00 137.65 3gxg s PRO 70 Ca 0.35 -0.88 0.34 0.00 0.02 0.00 0.00 61.00 60.84 3gxg s PRO 70 Cb 0.05 -1.88 1.94 0.00 0.02 0.00 0.00 34.50 34.63 3gxg s PRO 70 CO 0.05 0.51 2.19 -0.44 -0.33 0.00 0.00 177.00 178.98 3gxg h ASP 71 N 5.48 0.00 0.99 2.53 3.32 -1.99 -1.04 116.42 125.70 3gxg h ASP 71 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3gxg h ASP 71 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gxg h ASP 71 CO 0.47 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.45 3gxg n SER 72 N -3.44 0.58 -4.75 6.45 3.41 -1.26 -4.70 113.62 109.91 3gxg n SER 72 Ca -0.01 0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 58.80 3gxg n SER 72 Cb 0.21 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 3gxg n SER 72 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3gxg n SER 73 N -2.09 3.07 0.26 4.04 2.88 -0.40 -4.89 113.62 116.50 3gxg n SER 73 Ca 0.04 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 3gxg n SER 73 Cb 0.30 -1.58 0.71 0.00 -0.75 0.00 0.00 64.21 62.90 3gxg n SER 73 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3gxg h LYS 74 N 2.10 0.00 0.00 -1.46 2.10 -1.89 -2.06 116.57 115.37 3gxg h LYS 74 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3gxg h LYS 74 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3gxg h LYS 74 CO 0.60 0.09 -0.30 -0.25 -2.00 0.00 0.00 179.45 177.59 3gxg n ASP 75 N -3.96 0.34 -4.76 7.07 8.00 -1.26 -4.95 116.55 117.03 3gxg n ASP 75 Ca -0.02 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.19 3gxg n ASP 75 Cb 0.18 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 3gxg n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxg s ALA 76 N -3.02 2.89 0.52 2.24 0.00 -0.78 -4.99 121.76 118.62 3gxg s ALA 76 Ca 0.12 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.09 3gxg s ALA 76 Cb 0.17 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3gxg s ALA 76 CO 0.63 -1.15 1.23 -1.01 0.00 0.00 0.00 175.76 175.46 3gxg s HIS 77 N -1.37 2.56 0.40 0.00 3.76 -1.26 -4.95 115.29 114.44 3gxg s HIS 77 Ca 0.69 1.48 0.07 0.00 -0.15 0.00 0.00 55.06 57.14 3gxg s HIS 77 Cb -0.37 -3.53 0.82 0.00 1.11 0.00 0.00 32.58 30.61 3gxg s HIS 77 CO 0.44 -2.12 2.03 -1.35 -0.85 0.00 0.00 174.74 172.89 3gxg h PRO 78 N 1.54 0.53 -1.29 8.40 0.11 -1.94 -3.37 132.00 135.98 3gxg h PRO 78 Ca -0.50 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.23 3gxg h PRO 78 Cb 1.28 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 3gxg h PRO 78 CO 0.58 0.38 -0.70 -3.47 -0.21 0.00 0.00 178.00 174.58 3gxg n ASP 79 N -4.44 -2.11 -0.07 -2.05 -0.08 -1.26 -4.99 116.55 101.55 3gxg n ASP 79 Ca 0.03 -2.82 0.00 0.00 -1.51 0.00 0.00 54.79 50.49 3gxg n ASP 79 Cb 0.09 0.86 0.29 0.00 2.34 0.00 0.00 41.12 44.69 3gxg n ASP 79 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3gxg h GLU 80 N 4.85 0.68 -0.88 -0.67 4.81 -1.99 -2.67 114.58 118.71 3gxg h GLU 80 Ca 0.08 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3gxg h GLU 80 Cb 1.01 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 3gxg h GLU 80 CO 0.23 0.58 0.55 0.78 -0.73 0.00 0.00 179.01 180.41 3gxg h GLY 81 N 0.83 1.31 0.97 1.92 0.00 -1.96 0.03 103.07 106.17 3gxg h GLY 81 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3gxg h GLY 81 CO -0.01 0.30 0.22 1.70 0.00 0.00 0.00 176.54 178.75 3gxg h LYS 82 N 1.03 0.67 -0.58 4.80 3.64 -1.91 0.44 116.57 124.66 3gxg h LYS 82 Ca 0.37 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3gxg h LYS 82 Cb 0.12 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3gxg h LYS 82 CO -0.16 0.57 0.38 -0.07 -2.27 0.00 0.00 179.45 177.90 3gxg h LEU 83 N 0.60 0.64 -0.12 5.20 3.38 -1.03 0.13 115.31 124.11 3gxg h LEU 83 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gxg h LEU 83 Cb 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gxg h LEU 83 CO -0.02 0.46 -0.04 0.58 0.09 0.00 0.00 178.44 179.51 3gxg h VAL 84 N 0.76 1.30 -0.37 1.22 2.07 -0.88 -2.20 116.25 118.14 3gxg h VAL 84 Ca 0.22 -1.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.59 3gxg h VAL 84 Cb -0.05 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3gxg h VAL 84 CO -0.06 0.29 -0.35 0.71 0.02 0.00 0.00 177.57 178.17 3gxg h THR 85 N -0.09 1.28 0.00 2.57 1.35 -0.77 -2.63 112.91 114.62 3gxg h THR 85 Ca 0.03 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3gxg h THR 85 Cb 0.47 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3gxg h THR 85 CO 0.01 0.51 -0.02 1.56 -0.25 0.00 0.00 175.52 177.33 3gxg h GLN 86 N 0.71 0.00 -0.00 4.72 4.20 -0.75 -0.63 115.11 123.36 3gxg h GLN 86 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3gxg h GLN 86 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3gxg h GLN 86 CO 0.08 0.02 -0.01 0.00 -0.67 0.00 0.00 178.83 178.26 3gxg n ALA 87 N -2.50 2.66 -0.67 3.87 0.00 -0.83 -5.09 120.51 117.95 3gxg n ALA 87 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3gxg n ALA 87 Cb 0.11 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3gxg n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxg n GLY 88 N 1.08 0.78 3.52 0.00 0.00 -0.25 -4.79 105.19 105.53 3gxg n GLY 88 Ca 0.21 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3gxg n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gxg s ASP 90 N -2.22 4.16 -0.09 1.61 1.01 -0.27 -4.99 116.67 115.89 3gxg s ASP 90 Ca 0.00 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 52.99 3gxg s ASP 90 Cb 0.00 -0.82 -0.01 0.00 1.01 0.00 0.00 42.92 43.11 3gxg s ASP 90 CO 0.00 0.27 -0.22 -0.47 0.21 0.00 0.00 175.17 174.96 3gxg s TYR 91 N -0.96 2.58 -0.08 4.23 5.04 -1.26 -0.19 117.35 126.71 3gxg s TYR 91 Ca 0.16 -0.82 0.02 0.00 -2.44 0.00 0.00 57.07 53.99 3gxg s TYR 91 Cb -0.11 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.52 3gxg s TYR 91 CO 0.06 -0.28 -0.12 0.08 -1.34 0.00 0.00 175.55 173.96 3gxg s VAL 92 N 0.12 1.17 -0.25 3.14 1.01 0.14 -4.97 120.40 120.77 3gxg s VAL 92 Ca -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3gxg s VAL 92 Cb -0.16 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3gxg s VAL 92 CO 0.06 0.37 -0.05 -0.47 0.00 0.00 0.00 175.10 175.01 3gxg s TYR 93 N 0.93 3.05 -0.51 5.22 5.04 -1.26 -0.74 117.35 129.08 3gxg s TYR 93 Ca -0.09 -1.45 0.03 0.00 -2.44 0.00 0.00 57.07 53.12 3gxg s TYR 93 Cb -0.15 -2.08 0.15 0.00 0.35 0.00 0.00 41.96 40.24 3gxg s TYR 93 CO 0.00 -0.70 0.33 0.42 -1.34 0.00 0.00 175.55 174.27 3gxg s ILE 94 N 1.35 1.67 -0.13 3.14 1.01 -0.24 -4.98 121.20 123.03 3gxg s ILE 94 Ca 0.01 -3.11 -0.29 0.00 0.00 0.00 0.00 60.65 57.25 3gxg s ILE 94 Cb -0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3gxg s ILE 94 CO -0.04 -0.99 1.32 -2.16 0.00 0.00 0.00 174.94 173.06 3gxg s PRO 95 N -0.26 4.24 -0.24 2.79 0.04 -1.26 -4.08 135.00 136.24 3gxg s PRO 95 Ca 0.23 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.95 3gxg s PRO 95 Cb -0.13 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 3gxg s PRO 95 CO -0.09 -0.69 0.07 0.08 0.04 0.00 0.00 177.00 176.41 3gxg s VAL 96 N 3.36 4.44 -0.19 -0.36 1.01 0.07 -4.90 120.40 123.83 3gxg s VAL 96 Ca 0.58 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3gxg s VAL 96 Cb -0.24 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3gxg s VAL 96 CO 0.18 0.36 1.23 -0.62 0.00 0.00 0.00 175.10 176.25 3gxg s ASP 97 N 1.35 6.94 0.44 3.32 -1.08 -1.26 -4.51 116.67 121.87 3gxg s ASP 97 Ca 0.05 1.59 0.11 0.00 -0.52 0.00 0.00 52.55 53.78 3gxg s ASP 97 Cb -0.15 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.78 3gxg s ASP 97 CO 0.04 -0.78 2.07 -0.25 0.52 0.00 0.00 175.17 176.77 3gxg h TRP 98 N 8.19 0.36 -0.15 -5.34 2.91 -1.97 -1.11 115.95 118.83 3gxg h TRP 98 Ca -0.25 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.78 3gxg h TRP 98 Cb 1.10 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 3gxg h TRP 98 CO 0.80 0.22 0.00 1.04 -1.03 0.00 0.00 178.44 179.47 3gxg n GLN 99 N -4.49 1.83 -2.75 2.65 6.02 -1.26 -4.39 117.38 115.00 3gxg n GLN 99 Ca 0.03 -1.23 -0.08 0.00 -0.01 0.00 0.00 57.00 55.70 3gxg n GLN 99 Cb 0.12 -1.43 0.06 0.00 1.02 0.00 0.00 30.24 30.02 3gxg n GLN 99 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxg n ASN 100 N 0.46 -2.70 -4.76 1.08 5.15 -0.47 -5.08 115.26 108.94 3gxg n ASN 100 Ca 0.17 -3.44 -0.37 0.00 -0.60 0.00 0.00 54.58 50.34 3gxg n ASN 100 Cb 0.38 1.85 0.01 0.00 -0.53 0.00 0.00 39.78 41.49 3gxg n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxg s PRO 101 N 0.54 3.43 0.03 1.20 0.04 -0.91 -4.37 135.00 134.97 3gxg s PRO 101 Ca 0.29 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.23 3gxg s PRO 101 Cb 0.25 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3gxg s PRO 101 CO -0.18 -0.84 -0.16 0.15 0.04 0.00 0.00 177.00 176.01 3gxg s LYS 102 N -2.94 1.12 0.34 4.56 1.02 -1.26 -4.99 119.74 117.60 3gxg s LYS 102 Ca 0.69 -0.77 0.10 0.00 0.02 0.00 0.00 55.97 56.00 3gxg s LYS 102 Cb -0.30 -1.15 0.85 0.00 -0.52 0.00 0.00 37.83 36.70 3gxg s LYS 102 CO 0.36 0.29 1.81 0.28 -0.92 0.00 0.00 175.35 177.17 3gxg h VAL 103 N 4.51 0.72 0.00 3.17 2.07 -1.96 -0.80 116.25 123.95 3gxg h VAL 103 Ca -0.39 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3gxg h VAL 103 Cb 1.17 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3gxg h VAL 103 CO 0.45 0.12 -0.09 1.05 0.02 0.00 0.00 177.57 179.12 3gxg h GLU 104 N 0.66 0.00 -0.29 1.57 4.11 -1.98 -0.06 114.58 118.58 3gxg h GLU 104 Ca 0.53 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.90 3gxg h GLU 104 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3gxg h GLU 104 CO -0.29 0.09 -0.05 -0.44 0.07 0.00 0.00 179.01 178.38 3gxg h ASP 105 N 0.00 0.55 -0.55 3.06 3.32 -1.56 -0.92 116.42 120.33 3gxg h ASP 105 Ca -0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 3gxg h ASP 105 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3gxg h ASP 105 CO 0.01 0.77 0.08 0.58 -1.72 0.00 0.00 179.24 178.96 3gxg h VAL 106 N 0.33 1.26 -0.40 -1.35 2.07 -1.23 -1.26 116.25 115.66 3gxg h VAL 106 Ca 0.08 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3gxg h VAL 106 Cb 0.52 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3gxg h VAL 106 CO 0.03 0.36 -0.03 -0.08 0.02 0.00 0.00 177.57 177.86 3gxg h GLU 107 N 0.81 0.65 -0.67 1.57 4.57 -0.95 -0.01 114.58 120.55 3gxg h GLU 107 Ca 0.17 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3gxg h GLU 107 Cb 0.43 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3gxg h GLU 107 CO 0.01 0.69 0.23 0.00 -1.18 0.00 0.00 179.01 178.77 3gxg h ALA 108 N 1.36 0.87 -0.26 2.92 0.00 -0.84 0.18 119.26 123.49 3gxg h ALA 108 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gxg h ALA 108 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gxg h ALA 108 CO 0.02 0.53 0.15 0.35 0.00 0.00 0.00 179.25 180.30 3gxg h PHE 109 N 0.96 0.35 -0.80 0.00 3.57 -0.71 -0.58 116.94 119.72 3gxg h PHE 109 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3gxg h PHE 109 Cb 0.26 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3gxg h PHE 109 CO 0.02 0.27 0.51 0.74 -2.23 0.00 0.00 178.31 177.62 3gxg h PHE 110 N 0.32 1.03 -0.64 0.41 -1.00 -0.73 -2.32 116.94 114.01 3gxg h PHE 110 Ca 0.09 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 3gxg h PHE 110 Cb 0.03 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.21 3gxg h PHE 110 CO -0.04 0.67 0.40 0.00 -1.61 0.00 0.00 178.31 177.73 3gxg h ALA 111 N 1.27 0.82 0.00 2.45 0.00 -0.74 -1.51 119.26 121.55 3gxg h ALA 111 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gxg h ALA 111 Cb -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3gxg h ALA 111 CO -0.06 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3gxg n ALA 112 N -2.30 1.53 0.00 0.00 0.00 -0.24 -1.84 120.51 117.66 3gxg n ALA 112 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gxg n ALA 112 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gxg n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxg n ASP 114 N 0.84 0.00 -0.00 0.00 8.00 -0.57 -2.82 116.55 122.00 3gxg n ASP 114 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 3gxg n ASP 114 Cb 0.05 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 41.85 3gxg n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxg n GLN 115 N 0.00 0.27 -2.03 -1.24 1.13 -0.77 -3.86 117.38 110.88 3gxg n GLN 115 Ca 0.00 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 54.98 3gxg n GLN 115 Cb 0.00 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 28.91 3gxg n GLN 115 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3gxg n HIS 116 N -1.36 1.46 -1.83 1.08 8.25 -1.13 -5.09 115.22 116.61 3gxg n HIS 116 Ca 0.11 -1.85 -0.40 0.00 -0.26 0.00 0.00 57.72 55.32 3gxg n HIS 116 Cb 0.28 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.14 3gxg n HIS 116 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3gxg s LYS 117 N -3.13 3.91 0.00 -0.41 1.02 -1.25 -1.97 119.74 117.91 3gxg s LYS 117 Ca 0.38 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.84 3gxg s LYS 117 Cb 0.37 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3gxg s LYS 117 CO -0.03 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 3gxg n GLY 118 N 0.54 0.45 3.94 -3.33 0.00 -1.26 -5.01 105.19 100.51 3gxg n GLY 118 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3gxg n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxg s LYS 119 N -0.61 3.39 -0.14 1.61 -0.14 -0.83 -5.09 119.74 117.93 3gxg s LYS 119 Ca 0.00 -0.65 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 3gxg s LYS 119 Cb 0.00 -2.92 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 3gxg s LYS 119 CO 0.00 0.50 0.87 -0.51 -0.76 0.00 0.00 175.35 175.46 3gxg s ASP 120 N -3.35 7.05 -0.04 2.83 1.01 -1.26 -4.87 116.67 118.03 3gxg s ASP 120 Ca 0.34 1.29 0.05 0.00 0.71 0.00 0.00 52.55 54.94 3gxg s ASP 120 Cb -0.11 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3gxg s ASP 120 CO 0.28 -0.39 -0.21 -0.69 0.21 0.00 0.00 175.17 174.37 3gxg s VAL 121 N 1.99 1.71 -0.18 -1.27 1.01 -0.18 -0.28 120.40 123.20 3gxg s VAL 121 Ca 0.41 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3gxg s VAL 121 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3gxg s VAL 121 CO 0.15 0.48 0.00 -0.22 0.00 0.00 0.00 175.10 175.51 3gxg s LEU 122 N -0.14 3.38 -0.17 3.92 2.96 -0.41 -0.54 118.68 127.69 3gxg s LEU 122 Ca -0.01 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3gxg s LEU 122 Cb -0.12 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3gxg s LEU 122 CO 0.02 0.12 -0.04 0.54 -1.32 0.00 0.00 176.35 175.66 3gxg s VAL 123 N 0.69 3.73 0.15 1.68 0.11 -0.37 -0.23 120.40 126.16 3gxg s VAL 123 Ca 0.00 -0.41 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 3gxg s VAL 123 Cb -0.14 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 3gxg s VAL 123 CO 0.02 0.48 0.15 -1.38 -3.33 0.00 0.00 175.10 171.04 3gxg s HIS 124 N 0.57 0.72 0.00 1.54 -0.00 -0.25 -1.93 115.29 115.94 3gxg s HIS 124 Ca -0.03 -1.07 0.00 0.00 -0.00 0.00 0.00 55.06 53.95 3gxg s HIS 124 Cb -0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 32.58 32.11 3gxg s HIS 124 CO 0.03 -0.61 0.00 0.00 -0.00 0.00 0.00 174.74 174.16 3gxg n LEU 126 N 0.00 2.19 -0.27 0.00 7.94 -1.26 -1.30 117.00 124.29 3gxg n LEU 126 Ca 0.00 0.33 0.02 0.00 -1.11 0.00 0.00 56.01 55.25 3gxg n LEU 126 Cb 0.00 -1.03 0.02 0.00 0.53 0.00 0.00 43.42 42.94 3gxg n LEU 126 CO 0.00 0.52 0.32 0.00 -1.11 0.00 0.00 177.39 177.12 3gxg n ALA 127 N -3.25 1.79 -2.09 1.96 0.00 -1.26 -1.26 120.51 116.40 3gxg n ALA 127 Ca -0.32 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 51.85 3gxg n ALA 127 Cb 0.84 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3gxg n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gxg n ASN 128 N -0.26 -4.48 0.02 0.00 5.15 -1.25 -4.66 115.26 109.78 3gxg n ASN 128 Ca 0.02 0.07 -0.02 0.00 -0.60 0.00 0.00 54.58 54.05 3gxg n ASN 128 Cb 0.61 -3.55 -0.01 0.00 -0.53 0.00 0.00 39.78 36.29 3gxg n ASN 128 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3gxg h TYR 129 N 0.00 -0.12 -0.53 1.20 -1.99 -1.90 -3.06 116.97 110.58 3gxg h TYR 129 Ca -0.33 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.47 3gxg h TYR 129 Cb 1.19 0.04 -0.06 0.00 2.00 0.00 0.00 36.73 39.89 3gxg h TYR 129 CO 0.39 -0.07 0.17 0.00 -0.00 0.00 0.00 178.16 178.64 3gxg h ARG 130 N -0.69 0.32 -0.32 4.88 3.08 -1.97 -2.11 114.38 117.58 3gxg h ARG 130 Ca -0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3gxg h ARG 130 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3gxg h ARG 130 CO 0.02 0.21 -0.08 0.00 -1.07 0.00 0.00 179.97 179.05 3gxg h ALA 131 N 1.37 0.44 -0.84 0.04 0.00 -1.87 -0.46 119.26 117.94 3gxg h ALA 131 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3gxg h ALA 131 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3gxg h ALA 131 CO -0.29 0.28 0.38 0.66 0.00 0.00 0.00 179.25 180.28 3gxg h SER 132 N 0.39 1.12 -0.33 0.00 4.64 -1.44 0.77 113.55 118.71 3gxg h SER 132 Ca 0.08 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3gxg h SER 132 Cb 0.58 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3gxg h SER 132 CO 0.03 0.96 0.14 0.00 -0.87 0.00 0.00 176.83 177.09 3gxg h ALA 133 N 1.21 0.42 -0.58 5.18 0.00 -1.20 -1.17 119.26 123.11 3gxg h ALA 133 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gxg h ALA 133 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gxg h ALA 133 CO -0.03 0.01 0.19 0.74 0.00 0.00 0.00 179.25 180.16 3gxg h PHE 134 N 0.39 0.93 -0.59 0.00 -1.00 -0.87 -1.82 116.94 113.97 3gxg h PHE 134 Ca 0.11 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3gxg h PHE 134 Cb 0.16 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 3gxg h PHE 134 CO -0.01 0.77 0.39 0.00 -1.61 0.00 0.00 178.31 177.84 3gxg h ALA 135 N 1.06 0.74 -0.01 2.45 0.00 -0.77 -1.09 119.26 121.65 3gxg h ALA 135 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3gxg h ALA 135 Cb 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3gxg h ALA 135 CO -0.01 0.17 -0.21 -0.92 0.00 0.00 0.00 179.25 178.28 3gxg h TYR 136 N 0.79 -0.57 -0.47 0.00 3.20 -0.99 -0.93 116.97 118.00 3gxg h TYR 136 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3gxg h TYR 136 Cb -0.08 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3gxg h TYR 136 CO -0.04 -0.30 0.02 -0.07 -1.64 0.00 0.00 178.16 176.13 3gxg h LEU 137 N -0.34 0.73 -0.11 2.82 3.38 -0.97 -0.43 115.31 120.40 3gxg h LEU 137 Ca 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gxg h LEU 137 Cb 0.42 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gxg h LEU 137 CO -0.20 0.79 0.06 0.22 0.09 0.00 0.00 178.44 179.39 3gxg h TYR 138 N 0.72 0.15 -0.33 1.13 3.20 -0.97 -0.63 116.97 120.23 3gxg h TYR 138 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3gxg h TYR 138 Cb 0.41 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3gxg h TYR 138 CO 0.02 0.18 -0.03 1.96 -1.64 0.00 0.00 178.16 178.64 3gxg h GLN 139 N 0.07 0.53 0.23 1.82 4.20 -0.88 -0.45 115.11 120.62 3gxg h GLN 139 Ca 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gxg h GLN 139 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3gxg h GLN 139 CO -0.01 0.58 -0.11 1.25 -0.67 0.00 0.00 178.83 179.87 3gxg h LEU 140 N 0.50 -0.26 -1.21 1.46 5.85 -0.86 -0.82 115.31 119.96 3gxg h LEU 140 Ca 0.10 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3gxg h LEU 140 Cb 0.38 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3gxg h LEU 140 CO 0.02 -0.17 0.54 0.50 -0.34 0.00 0.00 178.44 178.98 3gxg h LYS 141 N -0.32 1.01 0.00 1.25 3.11 -0.71 -1.41 116.57 119.50 3gxg h LYS 141 Ca -0.03 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3gxg h LYS 141 Cb 0.24 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 3gxg h LYS 141 CO 0.05 0.67 0.00 1.04 -2.81 0.00 0.00 179.45 178.40 3gxg n GLN 142 N -4.44 0.53 -1.23 1.90 1.13 -0.21 -4.88 117.38 110.18 3gxg n GLN 142 Ca 0.10 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.18 3gxg n GLN 142 Cb 0.10 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.94 3gxg n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gxg n GLY 143 N 0.82 0.44 0.23 1.08 0.00 -0.53 -4.95 105.19 102.29 3gxg n GLY 143 Ca 0.15 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.31 3gxg n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gxg n GLN 144 N -2.61 0.99 -3.88 1.61 6.02 -0.34 -4.96 117.38 114.21 3gxg n GLN 144 Ca -0.01 -0.47 -0.35 0.00 -0.01 0.00 0.00 57.00 56.15 3gxg n GLN 144 Cb 0.13 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.92 3gxg n GLN 144 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxg n ASN 145 N -0.59 -3.84 -4.74 1.08 5.15 -1.25 -4.91 115.26 106.15 3gxg n ASN 145 Ca 0.16 -1.12 -0.38 0.00 -0.60 0.00 0.00 54.58 52.64 3gxg n ASN 145 Cb 0.30 -2.70 0.05 0.00 -0.53 0.00 0.00 39.78 36.91 3gxg n ASN 145 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxg s PRO 146 N -6.61 2.95 0.76 1.20 0.04 -1.26 -5.06 135.00 127.03 3gxg s PRO 146 Ca 0.38 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 3gxg s PRO 146 Cb -0.17 -2.11 0.17 0.00 0.04 0.00 0.00 34.50 32.43 3gxg s PRO 146 CO 0.91 -1.31 1.04 -1.71 0.04 0.00 0.00 177.00 175.97 3gxg n ASN 147 N -1.33 0.45 0.00 6.66 2.85 -1.26 -4.99 115.26 117.64 3gxg n ASN 147 Ca 0.12 -1.60 0.00 0.00 -0.11 0.00 0.00 54.58 52.99 3gxg n ASN 147 Cb 0.46 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.73 3gxg n ASN 147 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gxg n ALA 149 N -3.45 0.00 0.04 5.20 0.00 -1.26 -0.11 120.51 120.93 3gxg n ALA 149 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 3gxg n ALA 149 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 3gxg n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gxg h GLN 150 N 0.00 0.35 -0.90 0.00 1.08 -2.03 -3.17 115.11 110.43 3gxg h GLN 150 Ca 0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3gxg h GLN 150 Cb 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3gxg h GLN 150 CO 0.00 1.22 0.00 2.41 -0.95 0.00 0.00 178.83 181.51 3gxg n THR 151 N -4.12 0.01 0.00 -0.54 -1.04 0.85 -4.84 114.28 104.59 3gxg n THR 151 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3gxg n THR 151 Cb 0.80 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3gxg n THR 151 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gxg n THR 153 N 0.71 0.00 0.30 12.58 -1.04 -1.20 -4.85 114.28 120.78 3gxg n THR 153 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3gxg n THR 153 Cb 0.01 0.00 1.08 0.00 -1.82 0.00 0.00 70.33 69.60 3gxg n THR 153 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3gxg h PRO 154 N 0.00 0.00 0.00 -2.82 0.11 -1.88 -1.72 132.00 125.68 3gxg h PRO 154 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gxg h PRO 154 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gxg h PRO 154 CO 0.00 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.70 3gxg n TRP 155 N -2.89 0.60 0.00 0.65 7.02 -1.26 -4.89 117.44 116.67 3gxg n TRP 155 Ca -0.03 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 3gxg n TRP 155 Cb 0.06 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.16 3gxg n TRP 155 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3gxg n ASN 156 N -2.00 0.00 -1.35 -0.99 0.23 -0.65 -0.62 115.26 109.88 3gxg n ASN 156 Ca 0.06 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.21 3gxg n ASN 156 Cb 0.39 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.40 3gxg n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gxg n ASP 157 N 1.53 3.95 0.06 0.53 8.00 -1.26 -4.65 116.55 124.70 3gxg n ASP 157 Ca 0.00 -2.12 0.13 0.00 0.71 0.00 0.00 54.79 53.51 3gxg n ASP 157 Cb 0.00 -0.49 0.42 0.00 -0.02 0.00 0.00 41.12 41.02 3gxg n ASP 157 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gxg n GLU 158 N 1.40 0.17 -0.22 -1.24 1.02 0.21 -4.33 120.64 117.65 3gxg n GLU 158 Ca 0.24 0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 3gxg n GLU 158 Cb 0.66 -1.67 0.13 0.00 -0.02 0.00 0.00 31.44 30.54 3gxg n GLU 158 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gxg h LEU 159 N 0.00 0.22 -2.05 -4.62 5.85 -1.83 -0.33 115.31 112.55 3gxg h LEU 159 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3gxg h LEU 159 Cb 0.65 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3gxg h LEU 159 CO 0.00 0.12 -0.07 0.00 -0.34 0.00 0.00 178.44 178.14 3gxg h ALA 160 N 1.46 1.61 0.00 1.25 0.00 -1.98 -0.82 119.26 120.78 3gxg h ALA 160 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gxg h ALA 160 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gxg h ALA 160 CO -0.34 0.09 0.00 -0.89 0.00 0.00 0.00 179.25 178.11 3gxg n ILE 161 N -4.07 0.76 -3.72 0.00 2.08 -0.14 -4.07 119.36 110.20 3gxg n ILE 161 Ca -0.03 0.17 -0.28 0.00 0.56 0.00 0.00 62.75 63.18 3gxg n ILE 161 Cb 0.16 -0.90 -0.11 0.00 -0.75 0.00 0.00 39.64 38.04 3gxg n ILE 161 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3gxg n TYR 162 N -1.63 2.89 -0.01 1.39 4.01 -0.31 -4.97 117.16 118.53 3gxg n TYR 162 Ca 0.04 -4.17 0.20 0.00 -0.16 0.00 0.00 57.90 53.81 3gxg n TYR 162 Cb 0.22 -0.53 0.68 0.00 -0.31 0.00 0.00 39.34 39.41 3gxg n TYR 162 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gxg h PRO 163 N 5.08 0.01 -0.23 -0.72 0.13 -1.74 -0.21 132.00 134.32 3gxg h PRO 163 Ca 0.17 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 3gxg h PRO 163 Cb 0.75 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3gxg h PRO 163 CO 0.71 0.01 -0.21 0.87 -0.23 0.00 0.00 178.00 179.14 3gxg h LYS 164 N 0.01 0.41 0.18 0.86 1.57 -1.93 0.20 116.57 117.87 3gxg h LYS 164 Ca 0.26 -0.14 -0.31 0.00 -1.87 0.00 0.00 60.65 58.59 3gxg h LYS 164 Cb 1.01 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.31 3gxg h LYS 164 CO -0.01 0.61 -1.35 -1.49 -0.57 0.00 0.00 179.45 176.65 3gxg h TRP 165 N 0.37 0.90 -0.90 -1.35 4.06 -1.41 -1.71 115.95 115.91 3gxg h TRP 165 Ca 0.06 -0.62 0.02 0.00 2.06 0.00 0.00 58.89 60.42 3gxg h TRP 165 Cb 0.59 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.65 3gxg h TRP 165 CO 0.02 1.47 0.59 0.37 -3.56 0.00 0.00 178.44 177.32 3gxg h GLN 166 N 0.18 1.13 -0.26 0.49 4.15 -1.16 -1.27 115.11 118.38 3gxg h GLN 166 Ca -0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3gxg h GLN 166 Cb 2.03 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 3gxg h GLN 166 CO 0.25 0.75 0.16 0.00 -1.93 0.00 0.00 178.83 178.06 3gxg h ALA 167 N 1.36 0.33 0.06 3.38 0.00 -0.93 -0.84 119.26 122.61 3gxg h ALA 167 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gxg h ALA 167 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gxg h ALA 167 CO -0.10 -0.19 -0.05 1.25 0.00 0.00 0.00 179.25 180.16 3gxg h LEU 168 N 0.33 -0.14 -0.97 0.00 5.85 -0.99 -0.22 115.31 119.18 3gxg h LEU 168 Ca 0.09 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3gxg h LEU 168 Cb -0.01 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3gxg h LEU 168 CO -0.02 -0.09 0.63 -0.07 -0.34 0.00 0.00 178.44 178.55 3gxg h LEU 169 N -0.13 1.01 -0.04 2.25 4.07 -1.15 -0.88 115.31 120.44 3gxg h LEU 169 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3gxg h LEU 169 Cb 0.12 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 3gxg h LEU 169 CO -0.01 0.66 -0.00 0.74 -1.08 0.00 0.00 178.44 178.75 3gxg h THR 170 N 1.16 1.25 -0.21 0.22 2.02 -0.87 -0.80 112.91 115.68 3gxg h THR 170 Ca 0.41 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3gxg h THR 170 Cb 0.12 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3gxg h THR 170 CO -0.16 0.21 0.10 -0.33 0.37 0.00 0.00 175.52 175.70 3gxg h GLU 171 N -0.22 0.20 -0.22 6.66 5.08 -0.82 -0.70 114.58 124.56 3gxg h GLU 171 Ca 0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3gxg h GLU 171 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gxg h GLU 171 CO 0.00 0.14 -0.42 0.28 -1.00 0.00 0.00 179.01 178.01 3gxg h VAL 172 N 0.21 1.32 -0.08 3.13 2.07 -1.19 -2.93 116.25 118.78 3gxg h VAL 172 Ca 0.09 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.00 3gxg h VAL 172 Cb 0.03 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3gxg h VAL 172 CO -0.07 0.51 0.06 0.28 0.02 0.00 0.00 177.57 178.38 3gxg h SER 173 N 0.37 0.00 0.32 0.57 0.02 -1.03 -2.26 113.55 111.54 3gxg h SER 173 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3gxg h SER 173 Cb 1.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3gxg h SER 173 CO 0.09 0.00 -0.18 0.00 -1.14 0.00 0.00 176.83 175.61 3gxg h ALA 174 N 1.95 1.42 0.00 3.77 0.00 -0.92 -2.30 119.26 123.17 3gxg h ALA 174 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gxg h ALA 174 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gxg h ALA 174 CO -0.00 0.22 0.00 -0.22 0.00 0.00 0.00 179.25 179.25 3gxg h LYS 175 N 0.00 0.00 -5.53 0.00 3.64 -1.46 -3.47 116.57 109.76 3gxg h LYS 175 Ca -0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 3gxg h LYS 175 Cb 0.38 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.06 3gxg h LYS 175 CO 0.02 0.00 -0.68 0.71 -2.27 0.00 0.00 179.45 177.24 3gxg s TYR 176 N -3.23 1.97 0.00 1.91 2.02 -0.87 -5.14 117.35 114.01 3gxg s TYR 176 Ca 0.07 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3gxg s TYR 176 Cb 0.10 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3gxg s TYR 176 CO 0.53 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 175.22 3gxg n GLY 177 N -0.59 1.10 0.00 0.71 0.00 -1.26 -4.99 105.19 100.15 3gxg n GLY 177 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3gxg n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74