#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxg n ASN 23 N 0.00 0.04 -4.71 1.61 3.02 -1.26 -5.00 115.26 108.96 3gxg n ASN 23 Ca 0.00 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 52.99 3gxg n ASN 23 Cb 0.00 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3gxg n ASN 23 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gxg s ILE 24 N -1.79 3.36 -0.16 2.41 -1.09 -1.26 -4.99 121.20 117.68 3gxg s ILE 24 Ca 0.21 0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 59.51 3gxg s ILE 24 Cb -0.01 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3gxg s ILE 24 CO 0.15 0.05 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.17 3gxg s GLU 25 N 1.58 3.70 -1.13 2.79 -6.30 -1.26 -4.71 118.70 113.36 3gxg s GLU 25 Ca 0.65 -0.50 -0.18 0.00 -2.50 0.00 0.00 54.97 52.44 3gxg s GLU 25 Cb -0.36 -2.94 -0.02 0.00 0.00 0.00 0.00 34.13 30.82 3gxg s GLU 25 CO 0.29 0.25 0.81 0.43 0.02 0.00 0.00 175.26 177.06 3gxg n SER 26 N 3.52 -5.35 0.25 -1.70 7.64 -1.26 -4.83 113.62 111.89 3gxg n SER 26 Ca -0.17 -0.97 0.18 0.00 1.01 0.00 0.00 58.87 58.92 3gxg n SER 26 Cb 0.52 -3.66 0.89 0.00 -1.01 0.00 0.00 64.21 60.95 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 -1.78 0.27 -0.16 0.44 2.10 -2.02 -0.15 117.51 116.21 3gxg h ILE 27 Ca -0.66 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.33 3gxg h ILE 27 Cb 1.35 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 3gxg h ILE 27 CO 0.48 0.00 0.15 1.05 -1.08 0.00 0.00 178.15 178.75 3gxg h GLU 28 N 0.00 0.00 0.00 2.19 9.09 -1.98 0.16 114.58 124.03 3gxg h GLU 28 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 3gxg h GLU 28 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 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 -4.02 0.29 -1.04 3.06 3.02 -0.07 -1.63 115.26 114.87 3gxg n ASN 29 Ca 0.01 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.25 3gxg n ASN 29 Cb 0.28 -0.64 0.19 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.84 3.28 -0.38 3.41 4.77 0.55 -4.56 117.00 122.23 3gxg n LEU 30 Ca 0.02 -1.50 0.09 0.00 -0.03 0.00 0.00 56.01 54.59 3gxg n LEU 30 Cb 0.16 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 3gxg n LEU 30 CO 0.14 0.71 0.61 0.00 -1.33 0.00 0.00 177.39 177.52 3gxg n GLN 31 N 1.33 1.83 0.00 3.23 6.02 -0.65 -5.10 117.38 124.04 3gxg n GLN 31 Ca 0.17 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 3gxg n GLN 31 Cb 0.56 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.13 -0.97 3.71 1.08 0.00 -1.26 -4.85 105.19 101.78 3gxg n GLY 32 Ca 0.18 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 3.08 0.02 -0.61 1.01 -1.26 -4.89 121.20 118.55 3gxg s ILE 33 Ca 0.00 0.69 -0.37 0.00 0.00 0.00 0.00 60.65 60.97 3gxg s ILE 33 Cb 0.00 -3.44 -0.16 0.00 0.01 0.00 0.00 42.46 38.87 3gxg s ILE 33 CO 0.00 0.03 1.45 -1.14 0.00 0.00 0.00 174.94 175.28 3gxg n ARG 34 N 4.59 1.24 -2.90 2.79 0.63 -1.26 -2.72 116.66 119.04 3gxg n ARG 34 Ca 0.14 0.45 -0.20 0.00 -0.92 0.00 0.00 57.85 57.32 3gxg n ARG 34 Cb 0.41 -2.11 0.01 0.00 0.45 0.00 0.00 32.46 31.21 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 3.22 -0.91 -2.24 5.13 0.00 -1.26 -0.39 120.51 124.07 3gxg n ALA 35 Ca 0.20 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3gxg n ALA 35 Cb 0.19 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 16.86 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 -6.28 4.37 -0.12 0.00 2.96 -1.10 -3.80 118.68 114.70 3gxg s LEU 36 Ca 0.22 2.24 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 3gxg s LEU 36 Cb -0.11 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.06 3gxg s LEU 36 CO 0.27 -0.61 0.17 -1.58 -1.32 0.00 0.00 176.35 173.28 3gxg s GLN 37 N 1.16 0.07 0.20 1.98 0.74 0.66 -4.99 119.66 119.49 3gxg s GLN 37 Ca 0.63 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 56.15 3gxg s GLN 37 Cb -0.35 -0.65 -0.09 0.00 1.10 0.00 0.00 33.01 33.02 3gxg s GLN 37 CO 0.30 -0.43 1.35 -1.14 -0.55 0.00 0.00 175.29 174.82 3gxg s GLN 38 N 2.29 4.35 -0.01 1.67 0.74 -1.26 -1.17 119.66 126.27 3gxg s GLN 38 Ca 0.04 2.11 0.10 0.00 0.05 0.00 0.00 55.36 57.67 3gxg s GLN 38 Cb -0.13 -3.18 -0.16 0.00 1.10 0.00 0.00 33.01 30.64 3gxg s GLN 38 CO -0.08 -0.31 0.23 1.04 -0.55 0.00 0.00 175.29 175.63 3gxg n GLN 39 N 2.68 0.37 -3.69 1.67 1.13 0.61 -4.90 117.38 115.26 3gxg n GLN 39 Ca 0.07 -0.09 -0.04 0.00 -1.94 0.00 0.00 57.00 55.00 3gxg n GLN 39 Cb 0.42 -1.24 -0.01 0.00 0.11 0.00 0.00 30.24 29.52 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 -2.70 -1.78 0.49 -1.58 0.00 -0.88 -4.94 121.76 110.36 3gxg s ALA 40 Ca -0.04 0.41 0.21 0.00 0.00 0.00 0.00 51.96 52.55 3gxg s ALA 40 Cb 0.07 0.54 1.27 0.00 0.00 0.00 0.00 23.12 24.99 3gxg s ALA 40 CO 0.43 -0.97 1.98 -1.35 0.00 0.00 0.00 175.76 175.85 3gxg h PRO 41 N 2.00 0.15 -0.16 0.00 0.11 -2.02 -2.03 132.00 130.04 3gxg h PRO 41 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gxg h PRO 41 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gxg h PRO 41 CO 0.27 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.19 3gxg n GLN 42 N -4.42 2.58 -3.81 1.05 6.02 -1.26 -4.95 117.38 112.60 3gxg n GLN 42 Ca 0.11 -2.23 -0.26 0.00 -0.01 0.00 0.00 57.00 54.62 3gxg n GLN 42 Cb 0.56 -1.40 -0.17 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.86 0.99 -0.01 1.08 2.96 -0.76 -1.17 118.68 119.91 3gxg s LEU 43 Ca 0.24 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3gxg s LEU 43 Cb 0.18 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 3gxg s LEU 43 CO 0.07 -0.20 0.07 -0.76 -1.32 0.00 0.00 176.35 174.21 3gxg s LEU 44 N 1.84 3.85 0.13 -0.68 1.43 0.14 -0.28 118.68 125.11 3gxg s LEU 44 Ca 0.03 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 3gxg s LEU 44 Cb -0.14 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3gxg s LEU 44 CO -0.07 0.28 -0.25 -0.94 0.23 0.00 0.00 176.35 175.60 3gxg s SER 45 N -1.67 3.16 0.27 2.29 1.04 -0.32 -1.19 113.70 117.29 3gxg s SER 45 Ca 0.22 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.70 3gxg s SER 45 Cb -0.12 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 65.85 3gxg s SER 45 CO 0.13 0.15 0.87 -0.94 0.98 0.00 0.00 173.24 174.42 3gxg s SER 46 N -2.09 -0.09 0.00 7.02 1.04 -0.86 -0.24 113.70 118.48 3gxg s SER 46 Ca 0.13 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.78 3gxg s SER 46 Cb -0.10 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3gxg s SER 46 CO 0.06 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.59 3gxg n GLY 47 N -0.54 -0.24 3.63 7.32 0.00 0.48 -2.04 105.19 113.80 3gxg n GLY 47 Ca -0.06 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 3.94 0.49 0.99 2.96 -0.31 -4.40 118.68 122.34 3gxg s LEU 48 Ca 0.00 0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 54.62 3gxg s LEU 48 Cb 0.00 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 3gxg s LEU 48 CO 0.00 -0.88 1.05 -2.84 -1.32 0.00 0.00 176.35 172.37 3gxg s PRO 49 N 3.62 3.78 0.76 0.98 0.02 -1.26 -4.49 135.00 138.40 3gxg s PRO 49 Ca 0.43 1.41 -0.02 0.00 0.02 0.00 0.00 61.00 62.85 3gxg s PRO 49 Cb -0.12 -2.13 0.14 0.00 0.02 0.00 0.00 34.50 32.42 3gxg s PRO 49 CO 0.17 -0.46 1.04 0.54 -0.33 0.00 0.00 177.00 177.95 3gxg s ASN 50 N -1.91 4.15 0.15 2.53 2.20 -1.26 -4.92 114.94 115.89 3gxg s ASN 50 Ca 0.67 -0.36 -0.17 0.00 -0.94 0.00 0.00 52.86 52.07 3gxg s ASN 50 Cb -0.18 0.05 0.06 0.00 -2.00 0.00 0.00 41.25 39.19 3gxg s ASN 50 CO 0.22 -2.01 1.72 -0.08 -2.94 0.00 0.00 177.10 174.01 3gxg h GLU 51 N -0.68 0.16 -0.84 3.55 4.81 -1.99 -1.97 114.58 117.63 3gxg h GLU 51 Ca -0.36 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3gxg h GLU 51 Cb 1.26 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 3gxg h GLU 51 CO 0.39 0.10 0.55 0.37 -0.73 0.00 0.00 179.01 179.69 3gxg h GLN 52 N 0.16 1.08 0.00 1.92 -0.00 -2.00 -2.32 115.11 113.95 3gxg h GLN 52 Ca 0.16 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.70 3gxg h GLN 52 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3gxg h GLN 52 CO -0.22 0.71 -0.23 1.96 0.00 0.00 0.00 178.83 181.05 3gxg h GLN 53 N 1.11 0.00 -0.25 1.69 4.20 -1.75 -1.76 115.11 118.35 3gxg h GLN 53 Ca 0.31 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 3gxg h GLN 53 Cb -0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3gxg h GLN 53 CO -0.07 0.23 -0.24 0.74 -0.67 0.00 0.00 178.83 178.82 3gxg h PHE 54 N 0.00 0.53 -0.65 2.96 0.04 -0.99 0.18 116.94 119.01 3gxg h PHE 54 Ca -0.00 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 3gxg h PHE 54 Cb 0.49 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3gxg h PHE 54 CO 0.00 0.68 0.06 0.77 -0.60 0.00 0.00 178.31 179.22 3gxg h SER 55 N 0.43 1.07 -0.69 2.17 0.02 -1.36 -2.31 113.55 112.87 3gxg h SER 55 Ca 0.06 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3gxg h SER 55 Cb 0.65 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3gxg h SER 55 CO 0.05 1.08 0.21 -0.07 -1.14 0.00 0.00 176.83 176.95 3gxg h LEU 56 N 1.02 1.01 -0.68 5.07 3.38 -0.94 -1.84 115.31 122.33 3gxg h LEU 56 Ca 0.19 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gxg h LEU 56 Cb 0.50 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3gxg h LEU 56 CO 0.02 0.96 0.44 -0.07 0.09 0.00 0.00 178.44 179.88 3gxg h LEU 57 N 1.01 0.74 -0.46 1.67 3.38 -0.44 -0.58 115.31 120.63 3gxg h LEU 57 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gxg h LEU 57 Cb 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3gxg h LEU 57 CO -0.01 0.53 0.29 0.50 0.09 0.00 0.00 178.44 179.84 3gxg h LYS 58 N 0.88 0.62 -0.05 1.13 1.63 -1.11 -1.36 116.57 118.31 3gxg h LYS 58 Ca 0.26 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 3gxg h LYS 58 Cb -0.05 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 3gxg h LYS 58 CO -0.08 0.44 -0.20 1.96 -3.45 0.00 0.00 179.45 178.12 3gxg h GLN 59 N 0.62 0.08 0.00 1.90 4.20 -0.99 -0.72 115.11 120.20 3gxg h GLN 59 Ca 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gxg h GLN 59 Cb -0.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gxg h GLN 59 CO -0.03 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 3gxg n ALA 60 N -2.49 2.45 -0.03 3.87 0.00 -0.25 -4.90 120.51 119.16 3gxg n ALA 60 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3gxg n ALA 60 Cb 0.28 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.78 0.70 3.72 0.00 0.00 -0.28 -5.07 105.19 105.05 3gxg n GLY 61 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.03 2.87 -0.17 1.61 1.01 -0.56 -4.57 120.40 118.56 3gxg s VAL 62 Ca 0.00 0.62 0.17 0.00 0.00 0.00 0.00 61.98 62.77 3gxg s VAL 62 Cb 0.00 -3.40 -0.25 0.00 0.00 0.00 0.00 36.38 32.74 3gxg s VAL 62 CO 0.00 0.05 0.19 0.47 0.00 0.00 0.00 175.10 175.81 3gxg n ASP 63 N 4.03 0.14 -3.78 3.32 8.00 0.36 -4.43 116.55 124.18 3gxg n ASP 63 Ca 0.13 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 3gxg n ASP 63 Cb 0.40 0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 42.26 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 -2.58 -0.01 -0.19 2.53 0.11 -1.03 -1.01 120.40 118.22 3gxg s VAL 64 Ca -0.09 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 3gxg s VAL 64 Cb 0.07 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 3gxg s VAL 64 CO 0.83 0.02 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.85 3gxg s VAL 65 N 0.41 3.21 -0.28 2.04 1.01 -0.26 -1.24 120.40 125.28 3gxg s VAL 65 Ca -0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3gxg s VAL 65 Cb -0.04 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3gxg s VAL 65 CO -0.02 0.46 0.05 -0.63 0.00 0.00 0.00 175.10 174.96 3gxg s ILE 66 N 1.14 3.74 -0.26 2.22 1.01 0.68 -0.99 121.20 128.74 3gxg s ILE 66 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3gxg s ILE 66 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3gxg s ILE 66 CO -0.02 0.12 0.06 0.21 0.00 0.00 0.00 174.94 175.32 3gxg s ASN 67 N 1.47 5.03 -1.13 3.58 2.47 0.32 -1.12 114.94 125.55 3gxg s ASN 67 Ca 0.02 -0.34 -0.08 0.00 0.42 0.00 0.00 52.86 52.89 3gxg s ASN 67 Cb -0.17 -1.89 0.27 0.00 -1.45 0.00 0.00 41.25 38.01 3gxg s ASN 67 CO 0.01 -0.07 1.36 0.18 -3.72 0.00 0.00 177.10 174.86 3gxg n LEU 68 N 4.90 5.93 -4.30 3.21 4.77 -0.29 -1.14 117.00 130.07 3gxg n LEU 68 Ca -0.16 -5.00 -0.30 0.00 -0.03 0.00 0.00 56.01 50.52 3gxg n LEU 68 Cb 0.51 -1.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 3gxg n LEU 68 CO 0.31 1.41 -0.56 -2.84 -1.33 0.00 0.00 177.39 174.37 3gxg s PRO 70 N -1.36 1.98 0.57 3.23 0.02 -1.26 -1.00 135.00 137.17 3gxg s PRO 70 Ca 0.33 -0.92 0.26 0.00 0.02 0.00 0.00 61.00 60.69 3gxg s PRO 70 Cb -0.02 -1.95 1.61 0.00 0.02 0.00 0.00 34.50 34.16 3gxg s PRO 70 CO 0.00 0.53 2.15 -0.44 -0.33 0.00 0.00 177.00 178.91 3gxg h ASP 71 N 5.40 0.00 0.70 2.53 3.32 -1.99 -1.87 116.42 124.51 3gxg h ASP 71 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 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 -4.01 0.55 -4.76 6.45 3.41 -1.26 -4.71 113.62 109.28 3gxg n SER 72 Ca -0.00 0.63 -0.39 0.00 -0.26 0.00 0.00 58.87 58.85 3gxg n SER 72 Cb 0.23 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 63.45 3gxg n SER 72 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gxg s SER 73 N -4.02 5.83 0.53 4.04 0.15 -0.70 -4.89 113.70 114.63 3gxg s SER 73 Ca 0.05 2.85 0.27 0.00 0.70 0.00 0.00 55.95 59.82 3gxg s SER 73 Cb 0.09 -2.65 1.49 0.00 -1.71 0.00 0.00 66.02 63.25 3gxg s SER 73 CO 0.37 -1.20 2.10 0.07 1.20 0.00 0.00 173.24 175.78 3gxg h LYS 74 N 2.21 0.00 -0.00 5.44 2.10 -1.90 -2.18 116.57 122.24 3gxg h LYS 74 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3gxg h LYS 74 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3gxg h LYS 74 CO 0.61 0.10 -0.33 -0.25 -2.00 0.00 0.00 179.45 177.58 3gxg n ASP 75 N -3.74 0.60 -4.76 7.07 8.00 -1.26 -4.96 116.55 117.50 3gxg n ASP 75 Ca -0.02 -0.41 -0.36 0.00 0.71 0.00 0.00 54.79 54.71 3gxg n ASP 75 Cb 0.21 0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.78 2.72 0.56 2.24 0.00 -0.82 -4.99 121.76 118.68 3gxg s ALA 76 Ca 0.18 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 3gxg s ALA 76 Cb 0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3gxg s ALA 76 CO 0.60 -0.99 1.28 -1.01 0.00 0.00 0.00 175.76 175.64 3gxg s HIS 77 N -1.57 2.39 0.43 0.00 3.76 -1.26 -4.93 115.29 114.11 3gxg s HIS 77 Ca 0.72 1.45 0.09 0.00 -0.15 0.00 0.00 55.06 57.17 3gxg s HIS 77 Cb -0.30 -3.63 0.93 0.00 1.11 0.00 0.00 32.58 30.69 3gxg s HIS 77 CO 0.34 -2.48 2.07 -1.35 -0.85 0.00 0.00 174.74 172.48 3gxg h PRO 78 N 1.29 0.44 -1.25 8.40 0.11 -1.94 -3.37 132.00 135.70 3gxg h PRO 78 Ca -0.51 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.31 3gxg h PRO 78 Cb 1.30 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.09 3gxg h PRO 78 CO 0.57 0.30 -0.62 -3.47 -0.21 0.00 0.00 178.00 174.56 3gxg n ASP 79 N -4.48 -2.64 -0.25 -2.05 -0.08 -1.26 -5.01 116.55 100.77 3gxg n ASP 79 Ca 0.02 -2.82 -0.02 0.00 -1.51 0.00 0.00 54.79 50.46 3gxg n ASP 79 Cb 0.07 1.18 0.17 0.00 2.34 0.00 0.00 41.12 44.87 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 5.02 1.08 -0.29 -0.67 4.81 -1.98 -2.44 114.58 120.11 3gxg h GLU 80 Ca 0.09 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3gxg h GLU 80 Cb 1.05 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3gxg h GLU 80 CO 0.13 0.79 0.19 0.78 -0.73 0.00 0.00 179.01 180.18 3gxg h GLY 81 N 1.12 0.40 0.93 1.92 0.00 -1.95 0.50 103.07 105.98 3gxg h GLY 81 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3gxg h GLY 81 CO -0.05 0.14 0.09 1.70 0.00 0.00 0.00 176.54 178.42 3gxg h LYS 82 N 0.38 0.24 -0.52 4.80 3.64 -1.87 -0.37 116.57 122.87 3gxg h LYS 82 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3gxg h LYS 82 Cb -0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3gxg h LYS 82 CO -0.02 0.26 0.33 -0.07 -2.27 0.00 0.00 179.45 177.67 3gxg h LEU 83 N 0.16 0.61 -0.07 5.20 3.38 -1.16 -0.42 115.31 123.03 3gxg h LEU 83 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gxg h LEU 83 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gxg h LEU 83 CO -0.01 0.47 -0.03 0.58 0.09 0.00 0.00 178.44 179.55 3gxg h VAL 84 N 0.70 1.32 -0.07 1.22 2.07 -0.84 -2.43 116.25 118.22 3gxg h VAL 84 Ca 0.19 -1.02 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 3gxg h VAL 84 Cb -0.04 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3gxg h VAL 84 CO -0.04 0.28 -0.70 0.71 0.02 0.00 0.00 177.57 177.84 3gxg h THR 85 N -0.23 1.40 0.00 2.57 1.35 -1.02 -2.65 112.91 114.33 3gxg h THR 85 Ca 0.02 -2.15 -0.05 0.00 -0.55 0.00 0.00 66.41 63.68 3gxg h THR 85 Cb 0.46 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3gxg h THR 85 CO 0.01 0.64 -0.23 1.56 -0.25 0.00 0.00 175.52 177.25 3gxg h GLN 86 N 0.22 0.00 0.00 4.72 4.20 -1.09 -1.11 115.11 122.06 3gxg h GLN 86 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3gxg h GLN 86 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3gxg h GLN 86 CO 0.11 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 3gxg n ALA 87 N -2.43 2.63 -0.73 3.87 0.00 -0.92 -5.09 120.51 117.84 3gxg n ALA 87 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gxg n ALA 87 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.96 0.59 3.80 0.00 0.00 -0.42 -4.79 105.19 105.33 3gxg n GLY 88 Ca 0.22 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.24 5.83 -0.11 1.61 1.01 -0.18 -4.99 116.67 117.58 3gxg s ASP 90 Ca 0.00 0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.53 3gxg s ASP 90 Cb 0.00 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 3gxg s ASP 90 CO 0.00 0.33 -0.20 -0.47 0.21 0.00 0.00 175.17 175.05 3gxg s TYR 91 N -1.09 2.66 -0.16 4.23 5.04 -1.26 -1.10 117.35 125.67 3gxg s TYR 91 Ca 0.19 -0.90 -0.01 0.00 -2.44 0.00 0.00 57.07 53.91 3gxg s TYR 91 Cb -0.12 -1.76 0.04 0.00 0.35 0.00 0.00 41.96 40.47 3gxg s TYR 91 CO 0.09 -0.34 -0.05 0.08 -1.34 0.00 0.00 175.55 173.98 3gxg s VAL 92 N 0.36 1.08 -0.32 3.14 1.01 -0.16 -4.98 120.40 120.53 3gxg s VAL 92 Ca -0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3gxg s VAL 92 Cb -0.17 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3gxg s VAL 92 CO 0.07 0.15 0.12 -0.47 0.00 0.00 0.00 175.10 174.97 3gxg s TYR 93 N 1.65 3.19 -0.49 5.22 5.04 -1.26 -0.52 117.35 130.17 3gxg s TYR 93 Ca 0.01 -0.96 0.03 0.00 -2.44 0.00 0.00 57.07 53.71 3gxg s TYR 93 Cb -0.15 -2.31 0.15 0.00 0.35 0.00 0.00 41.96 40.00 3gxg s TYR 93 CO -0.08 -0.59 0.31 0.42 -1.34 0.00 0.00 175.55 174.28 3gxg s ILE 94 N 1.52 1.50 -0.03 3.14 1.01 -0.29 -4.98 121.20 123.07 3gxg s ILE 94 Ca 0.02 -2.93 -0.30 0.00 0.00 0.00 0.00 60.65 57.45 3gxg s ILE 94 Cb -0.18 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3gxg s ILE 94 CO 0.04 -0.98 1.44 -2.16 0.00 0.00 0.00 174.94 173.27 3gxg s PRO 95 N -0.08 4.25 -0.23 2.79 0.04 -1.26 -4.10 135.00 136.42 3gxg s PRO 95 Ca 0.22 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 3gxg s PRO 95 Cb -0.15 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 3gxg s PRO 95 CO -0.07 -0.65 0.01 0.08 0.04 0.00 0.00 177.00 176.41 3gxg s VAL 96 N 2.88 3.87 -0.20 -0.36 1.01 -0.17 -4.92 120.40 122.50 3gxg s VAL 96 Ca 0.65 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 3gxg s VAL 96 Cb -0.31 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3gxg s VAL 96 CO 0.26 0.39 1.51 -0.62 0.00 0.00 0.00 175.10 176.63 3gxg s ASP 97 N 1.47 6.56 0.41 3.32 -1.08 -1.26 -4.53 116.67 121.55 3gxg s ASP 97 Ca 0.05 1.63 0.12 0.00 -0.52 0.00 0.00 52.55 53.84 3gxg s ASP 97 Cb -0.15 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.72 3gxg s ASP 97 CO 0.01 -1.10 1.95 -0.25 0.52 0.00 0.00 175.17 176.29 3gxg h TRP 98 N 9.91 0.56 -0.12 -5.34 2.91 -1.97 -0.43 115.95 121.46 3gxg h TRP 98 Ca -0.32 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.72 3gxg h TRP 98 Cb 1.14 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 3gxg h TRP 98 CO 0.88 0.26 0.00 1.04 -1.03 0.00 0.00 178.44 179.59 3gxg n GLN 99 N -4.48 1.78 -2.76 2.65 6.02 -1.26 -4.41 117.38 114.92 3gxg n GLN 99 Ca 0.12 -1.16 -0.09 0.00 -0.01 0.00 0.00 57.00 55.86 3gxg n GLN 99 Cb 0.39 -1.44 0.07 0.00 1.02 0.00 0.00 30.24 30.28 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 0.39 -2.46 -4.77 1.08 5.15 -0.24 -5.08 115.26 109.34 3gxg n ASN 100 Ca 0.17 -3.51 -0.40 0.00 -0.60 0.00 0.00 54.58 50.25 3gxg n ASN 100 Cb 0.37 1.79 0.01 0.00 -0.53 0.00 0.00 39.78 41.41 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 0.36 3.85 0.09 1.20 0.04 -0.81 -4.40 135.00 135.33 3gxg s PRO 101 Ca 0.27 2.30 0.08 0.00 0.04 0.00 0.00 61.00 63.69 3gxg s PRO 101 Cb 0.26 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3gxg s PRO 101 CO -0.14 -0.64 -0.21 0.15 0.04 0.00 0.00 177.00 176.21 3gxg s LYS 102 N -2.32 1.22 0.33 4.56 1.02 -1.26 -4.99 119.74 118.30 3gxg s LYS 102 Ca 0.58 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 55.52 3gxg s LYS 102 Cb -0.41 -1.45 0.70 0.00 -0.52 0.00 0.00 37.83 36.15 3gxg s LYS 102 CO 0.53 0.35 1.89 0.28 -0.92 0.00 0.00 175.35 177.48 3gxg h VAL 103 N 4.15 0.93 -0.28 3.17 2.07 -1.95 -1.08 116.25 123.26 3gxg h VAL 103 Ca -0.45 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3gxg h VAL 103 Cb 1.17 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3gxg h VAL 103 CO 0.41 0.15 0.19 1.05 0.02 0.00 0.00 177.57 179.39 3gxg h GLU 104 N 0.82 0.11 -0.21 1.57 4.11 -1.98 -0.35 114.58 118.66 3gxg h GLU 104 Ca 0.42 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.81 3gxg h GLU 104 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gxg h GLU 104 CO -0.18 0.08 0.01 -0.44 0.07 0.00 0.00 179.01 178.55 3gxg h ASP 105 N 0.12 0.36 -0.56 3.06 3.32 -1.61 -0.60 116.42 120.50 3gxg h ASP 105 Ca 0.13 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3gxg h ASP 105 Cb 0.36 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3gxg h ASP 105 CO -0.02 0.56 0.35 0.58 -1.72 0.00 0.00 179.24 178.99 3gxg h VAL 106 N 0.14 1.16 -0.70 -1.35 2.07 -1.22 -0.86 116.25 115.49 3gxg h VAL 106 Ca 0.06 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3gxg h VAL 106 Cb 0.36 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3gxg h VAL 106 CO 0.01 0.16 0.30 -0.33 0.02 0.00 0.00 177.57 177.73 3gxg h GLU 107 N 0.76 1.02 -0.64 1.57 4.39 -1.00 -0.03 114.58 120.65 3gxg h GLU 107 Ca 0.20 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3gxg h GLU 107 Cb -0.05 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 3gxg h GLU 107 CO -0.04 0.82 0.08 0.00 -1.16 0.00 0.00 179.01 178.70 3gxg h ALA 108 N 1.32 0.92 -0.21 3.43 0.00 -0.67 -0.31 119.26 123.74 3gxg h ALA 108 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gxg h ALA 108 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gxg h ALA 108 CO -0.02 0.66 0.13 0.35 0.00 0.00 0.00 179.25 180.37 3gxg h PHE 109 N 1.00 0.28 -0.73 0.00 3.57 -0.62 -0.19 116.94 120.25 3gxg h PHE 109 Ca 0.19 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3gxg h PHE 109 Cb 0.46 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3gxg h PHE 109 CO 0.03 0.20 0.42 0.74 -2.23 0.00 0.00 178.31 177.48 3gxg h PHE 110 N 0.27 0.77 -0.42 0.41 0.04 -0.72 -2.31 116.94 114.98 3gxg h PHE 110 Ca 0.08 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 3gxg h PHE 110 Cb 0.00 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 3gxg h PHE 110 CO -0.05 0.38 -0.23 0.00 -0.60 0.00 0.00 178.31 177.80 3gxg h ALA 111 N 1.37 0.80 0.00 2.45 0.00 -0.78 -1.06 119.26 122.03 3gxg h ALA 111 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gxg h ALA 111 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gxg h ALA 111 CO -0.18 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3gxg n ALA 112 N -2.51 1.64 0.00 0.00 0.00 -0.11 -1.78 120.51 117.75 3gxg n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gxg n ALA 112 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.80 0.00 -0.05 0.00 8.00 -0.40 -2.70 116.55 122.19 3gxg n ASP 114 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 3gxg n ASP 114 Cb 0.10 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 41.90 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 0.59 -1.69 -1.24 6.02 -0.73 -3.79 117.38 116.53 3gxg n GLN 115 Ca 0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 56.85 3gxg n GLN 115 Cb 0.00 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.84 3gxg n GLN 115 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gxg n HIS 116 N -1.12 0.98 -1.79 1.08 8.25 -1.10 -5.09 115.22 116.43 3gxg n HIS 116 Ca 0.15 -1.58 -0.41 0.00 -0.26 0.00 0.00 57.72 55.62 3gxg n HIS 116 Cb 0.25 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.66 4.07 0.00 -0.41 1.02 -1.25 -1.90 119.74 118.60 3gxg s LYS 117 Ca 0.38 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.94 3gxg s LYS 117 Cb 0.37 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3gxg s LYS 117 CO -0.06 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.21 3gxg n GLY 118 N 0.45 0.94 3.93 -3.33 0.00 -1.26 -5.01 105.19 100.92 3gxg n GLY 118 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.21 3.50 -0.17 1.61 -0.14 -0.80 -5.07 119.74 118.46 3gxg s LYS 119 Ca 0.00 -0.22 -0.21 0.00 -1.36 0.00 0.00 55.97 54.18 3gxg s LYS 119 Cb 0.00 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 3gxg s LYS 119 CO 0.00 0.08 0.64 -0.51 -0.76 0.00 0.00 175.35 174.80 3gxg s ASP 120 N -4.01 6.75 -0.02 2.83 1.01 -1.26 -4.87 116.67 117.10 3gxg s ASP 120 Ca 0.41 0.91 0.06 0.00 0.71 0.00 0.00 52.55 54.65 3gxg s ASP 120 Cb -0.10 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 3gxg s ASP 120 CO 0.37 -0.23 -0.21 -0.69 0.21 0.00 0.00 175.17 174.63 3gxg s VAL 121 N 1.61 1.67 -0.16 -1.27 1.01 -0.32 -0.49 120.40 122.45 3gxg s VAL 121 Ca 0.30 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3gxg s VAL 121 Cb -0.16 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3gxg s VAL 121 CO 0.12 0.47 -0.03 -0.22 0.00 0.00 0.00 175.10 175.44 3gxg s LEU 122 N -0.45 3.24 -0.16 3.92 2.96 -0.37 -0.68 118.68 127.13 3gxg s LEU 122 Ca 0.07 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3gxg s LEU 122 Cb -0.09 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3gxg s LEU 122 CO -0.00 0.15 -0.05 0.54 -1.32 0.00 0.00 176.35 175.67 3gxg s VAL 123 N 0.47 3.73 0.15 1.68 0.11 -0.34 -0.23 120.40 125.97 3gxg s VAL 123 Ca -0.03 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3gxg s VAL 123 Cb -0.14 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 3gxg s VAL 123 CO 0.03 0.48 0.11 -1.38 -3.33 0.00 0.00 175.10 171.00 3gxg s HIS 124 N 0.57 0.86 0.00 1.54 -0.00 -0.27 -2.02 115.29 115.97 3gxg s HIS 124 Ca -0.03 -1.20 0.00 0.00 -0.00 0.00 0.00 55.06 53.83 3gxg s HIS 124 Cb -0.14 -0.43 0.00 0.00 -0.00 0.00 0.00 32.58 32.00 3gxg s HIS 124 CO 0.03 -0.58 0.00 0.00 -0.00 0.00 0.00 174.74 174.19 3gxg h LEU 126 N 0.00 0.01 -2.45 0.00 5.85 -1.86 -1.41 115.31 115.45 3gxg h LEU 126 Ca 0.00 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 3gxg h LEU 126 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3gxg h LEU 126 CO 0.00 1.41 -0.31 0.00 -0.34 0.00 0.00 178.44 179.20 3gxg n ALA 127 N -3.27 2.14 -1.79 1.25 0.00 -1.26 -1.16 120.51 116.42 3gxg n ALA 127 Ca -0.28 -1.73 -0.14 0.00 0.00 0.00 0.00 53.44 51.28 3gxg n ALA 127 Cb 0.65 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.59 -4.58 0.04 0.00 5.15 -1.24 -4.67 115.26 109.38 3gxg n ASN 128 Ca 0.07 0.19 -0.03 0.00 -0.60 0.00 0.00 54.58 54.22 3gxg n ASN 128 Cb 0.69 -3.51 -0.01 0.00 -0.53 0.00 0.00 39.78 36.41 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 -0.16 -0.44 1.20 -1.99 -1.90 -2.92 116.97 110.75 3gxg h TYR 129 Ca -0.31 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.48 3gxg h TYR 129 Cb 1.07 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 39.80 3gxg h TYR 129 CO 0.39 -0.10 0.08 0.00 -0.00 0.00 0.00 178.16 178.53 3gxg h ARG 130 N -0.71 0.20 -0.42 4.88 3.08 -1.96 -2.24 114.38 117.20 3gxg h ARG 130 Ca -0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3gxg h ARG 130 Cb 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gxg h ARG 130 CO 0.03 0.13 0.07 0.00 -1.07 0.00 0.00 179.97 179.14 3gxg h ALA 131 N 1.34 0.56 -0.24 0.04 0.00 -1.86 0.03 119.26 119.13 3gxg h ALA 131 Ca 0.22 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3gxg h ALA 131 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gxg h ALA 131 CO -0.29 0.27 -0.24 0.66 0.00 0.00 0.00 179.25 179.65 3gxg h SER 132 N 0.56 0.46 -0.43 0.00 4.64 -1.41 0.29 113.55 117.66 3gxg h SER 132 Ca 0.13 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3gxg h SER 132 Cb 0.37 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3gxg h SER 132 CO 0.01 0.70 -0.16 0.00 -0.87 0.00 0.00 176.83 176.51 3gxg h ALA 133 N 1.34 0.60 -0.45 5.18 0.00 -1.09 -1.20 119.26 123.63 3gxg h ALA 133 Ca 0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3gxg h ALA 133 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gxg h ALA 133 CO 0.05 0.53 -0.25 0.74 0.00 0.00 0.00 179.25 180.32 3gxg h PHE 134 N 0.69 1.11 -0.39 0.00 -1.00 -0.71 -1.69 116.94 114.96 3gxg h PHE 134 Ca 0.10 -0.28 0.01 0.00 2.81 0.00 0.00 57.97 60.61 3gxg h PHE 134 Cb 0.71 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 3gxg h PHE 134 CO 0.05 1.10 0.24 0.00 -1.61 0.00 0.00 178.31 178.10 3gxg h ALA 135 N 0.88 0.50 -0.10 2.45 0.00 -0.90 -0.45 119.26 121.64 3gxg h ALA 135 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3gxg h ALA 135 Cb 0.83 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3gxg h ALA 135 CO 0.07 -0.08 -0.27 -0.92 0.00 0.00 0.00 179.25 178.05 3gxg h TYR 136 N 0.50 -0.73 -0.90 0.00 3.20 -1.00 -0.12 116.97 117.92 3gxg h TYR 136 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3gxg h TYR 136 Cb -0.02 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3gxg h TYR 136 CO -0.06 -0.36 0.51 -0.07 -1.64 0.00 0.00 178.16 176.54 3gxg h LEU 137 N -0.36 1.10 -0.22 2.82 3.38 -0.95 -0.30 115.31 120.78 3gxg h LEU 137 Ca 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gxg h LEU 137 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3gxg h LEU 137 CO -0.31 0.87 0.11 0.22 0.09 0.00 0.00 178.44 179.43 3gxg h TYR 138 N 1.24 0.31 -0.40 1.13 3.20 -0.76 -0.48 116.97 121.21 3gxg h TYR 138 Ca 0.32 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3gxg h TYR 138 Cb -0.01 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3gxg h TYR 138 CO 0.01 0.30 -0.01 1.96 -1.64 0.00 0.00 178.16 178.77 3gxg h GLN 139 N 0.24 0.64 0.26 1.82 4.20 -0.70 -0.39 115.11 121.17 3gxg h GLN 139 Ca 0.08 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3gxg h GLN 139 Cb 0.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3gxg h GLN 139 CO -0.01 0.67 -0.12 1.25 -0.67 0.00 0.00 178.83 179.94 3gxg h LEU 140 N 0.61 -0.29 -1.13 1.46 5.85 -0.82 -0.95 115.31 120.03 3gxg h LEU 140 Ca 0.12 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3gxg h LEU 140 Cb 0.40 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3gxg h LEU 140 CO 0.02 -0.19 0.60 0.50 -0.34 0.00 0.00 178.44 179.02 3gxg h LYS 141 N -0.36 0.99 0.00 1.25 3.11 -0.67 -1.72 116.57 119.16 3gxg h LYS 141 Ca -0.04 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3gxg h LYS 141 Cb 0.28 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 3gxg h LYS 141 CO 0.06 0.65 0.00 1.04 -2.81 0.00 0.00 179.45 178.39 3gxg n GLN 142 N -4.50 0.57 -1.18 1.90 1.13 -0.19 -4.87 117.38 110.23 3gxg n GLN 142 Ca 0.14 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.22 3gxg n GLN 142 Cb 0.23 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 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 0.54 0.48 0.12 1.08 0.00 -0.65 -4.93 105.19 101.83 3gxg n GLY 143 Ca 0.15 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.70 0.55 -3.81 1.61 6.02 -0.38 -4.97 117.38 113.69 3gxg n GLN 144 Ca -0.02 -0.25 -0.36 0.00 -0.01 0.00 0.00 57.00 56.37 3gxg n GLN 144 Cb 0.12 -1.49 0.03 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 -1.01 -4.97 -4.76 1.08 5.15 -1.25 -4.91 115.26 104.59 3gxg n ASN 145 Ca 0.12 -1.10 -0.38 0.00 -0.60 0.00 0.00 54.58 52.61 3gxg n ASN 145 Cb 0.31 -2.76 0.02 0.00 -0.53 0.00 0.00 39.78 36.82 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 -6.39 3.55 0.70 1.20 0.04 -1.26 -5.06 135.00 127.78 3gxg s PRO 146 Ca 0.46 2.14 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 3gxg s PRO 146 Cb -0.20 -2.46 0.16 0.00 0.04 0.00 0.00 34.50 32.04 3gxg s PRO 146 CO 0.90 -0.83 0.95 -1.71 0.04 0.00 0.00 177.00 176.35 3gxg n ASN 147 N -0.53 0.26 0.00 6.66 2.85 -1.26 -4.98 115.26 118.26 3gxg n ASN 147 Ca 0.07 -1.46 0.00 0.00 -0.11 0.00 0.00 54.58 53.09 3gxg n ASN 147 Cb 0.45 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.76 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 -3.51 0.00 -0.01 5.20 0.00 -1.26 -0.57 120.51 120.37 3gxg n ALA 149 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 3gxg n ALA 149 Cb 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 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 0.24 -1.14 0.00 1.08 -2.03 -3.17 115.11 110.09 3gxg h GLN 150 Ca 0.00 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3gxg h GLN 150 Cb 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3gxg h GLN 150 CO 0.00 1.03 0.00 2.41 -0.95 0.00 0.00 178.83 181.32 3gxg n THR 151 N -4.38 0.08 0.00 -0.54 -1.04 0.27 -4.84 114.28 103.83 3gxg n THR 151 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3gxg n THR 151 Cb 0.60 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 0.72 0.00 0.33 12.58 -1.04 -1.20 -4.85 114.28 120.82 3gxg n THR 153 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 3gxg n THR 153 Cb 0.05 0.00 1.14 0.00 -1.82 0.00 0.00 70.33 69.70 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 -1.48 132.00 125.93 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 -1.49 -0.21 0.00 0.00 178.00 176.30 3gxg h TRP 155 N 0.00 0.00 0.00 0.65 4.06 -1.94 -3.47 115.95 115.25 3gxg h TRP 155 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3gxg h TRP 155 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 3gxg h TRP 155 CO 0.00 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.15 3gxg n ASN 156 N -2.59 0.00 -1.34 -3.49 0.23 -0.56 -0.70 115.26 106.81 3gxg n ASN 156 Ca 0.04 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.18 3gxg n ASN 156 Cb 0.39 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.39 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 1.66 3.92 0.02 0.53 9.92 -1.26 -4.64 116.55 126.71 3gxg n ASP 157 Ca 0.00 -2.21 0.13 0.00 -0.53 0.00 0.00 54.79 52.17 3gxg n ASP 157 Cb 0.00 -0.50 0.40 0.00 -0.64 0.00 0.00 41.12 40.38 3gxg n ASP 157 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gxg n GLU 158 N 1.18 0.08 -0.29 -1.24 1.02 0.13 -4.29 120.64 117.23 3gxg n GLU 158 Ca 0.22 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 3gxg n GLU 158 Cb 0.69 -1.57 0.16 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.69 -2.06 -4.62 5.85 -1.82 -0.41 115.31 112.93 3gxg h LEU 159 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3gxg h LEU 159 Cb 0.57 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3gxg h LEU 159 CO 0.00 0.40 0.06 0.00 -0.34 0.00 0.00 178.44 178.56 3gxg h ALA 160 N 1.45 2.01 -0.00 1.25 0.00 -1.98 -1.16 119.26 120.83 3gxg h ALA 160 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3gxg h ALA 160 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gxg h ALA 160 CO -0.24 -0.11 -0.03 -0.89 0.00 0.00 0.00 179.25 177.99 3gxg n ILE 161 N -4.41 0.00 -3.86 0.00 2.08 -0.17 -4.21 119.36 108.79 3gxg n ILE 161 Ca -0.01 -0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.02 3gxg n ILE 161 Cb 0.17 -0.44 -0.12 0.00 -0.75 0.00 0.00 39.64 38.50 3gxg n ILE 161 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3gxg s TYR 162 N -2.75 3.41 0.51 1.39 2.02 -0.44 -4.97 117.35 116.52 3gxg s TYR 162 Ca 0.22 -3.27 0.25 0.00 -0.37 0.00 0.00 57.07 53.90 3gxg s TYR 162 Cb 0.20 -2.58 1.52 0.00 -0.40 0.00 0.00 41.96 40.70 3gxg s TYR 162 CO 0.50 -0.56 2.15 -1.00 -1.57 0.00 0.00 175.55 175.07 3gxg h PRO 163 N 5.40 0.00 -0.35 -1.71 0.13 -1.75 -0.58 132.00 133.14 3gxg h PRO 163 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 3gxg h PRO 163 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 3gxg h PRO 163 CO 0.69 0.06 -0.11 0.87 -0.23 0.00 0.00 178.00 179.28 3gxg h LYS 164 N 0.00 0.60 0.04 0.86 1.57 -1.93 -0.56 116.57 117.15 3gxg h LYS 164 Ca -0.00 -0.18 -0.27 0.00 -1.87 0.00 0.00 60.65 58.32 3gxg h LYS 164 Cb 0.14 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.42 3gxg h LYS 164 CO 0.01 0.71 -1.10 -1.49 -0.57 0.00 0.00 179.45 177.00 3gxg h TRP 165 N 0.55 1.00 -0.82 -1.35 4.06 -1.50 -2.00 115.95 115.88 3gxg h TRP 165 Ca 0.10 -0.57 0.03 0.00 2.06 0.00 0.00 58.89 60.51 3gxg h TRP 165 Cb 0.52 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.53 3gxg h TRP 165 CO 0.02 1.41 0.53 0.37 -3.56 0.00 0.00 178.44 177.20 3gxg h GLN 166 N 0.34 0.99 -0.48 0.49 4.15 -1.03 -1.05 115.11 118.53 3gxg h GLN 166 Ca -0.14 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 3gxg h GLN 166 Cb 1.76 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 3gxg h GLN 166 CO 0.21 0.66 0.19 0.00 -1.93 0.00 0.00 178.83 177.96 3gxg h ALA 167 N 1.34 0.62 -0.15 3.38 0.00 -1.09 -0.90 119.26 122.46 3gxg h ALA 167 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gxg h ALA 167 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gxg h ALA 167 CO -0.12 0.23 0.10 1.25 0.00 0.00 0.00 179.25 180.71 3gxg h LEU 168 N 0.63 0.17 -0.76 0.00 5.85 -1.02 -0.03 115.31 120.15 3gxg h LEU 168 Ca 0.16 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3gxg h LEU 168 Cb 0.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3gxg h LEU 168 CO -0.01 0.13 0.36 -0.07 -0.34 0.00 0.00 178.44 178.51 3gxg h LEU 169 N 0.19 1.00 -0.23 2.25 4.07 -1.08 -1.43 115.31 120.09 3gxg h LEU 169 Ca 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 3gxg h LEU 169 Cb -0.01 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3gxg h LEU 169 CO -0.01 0.86 0.06 0.74 -1.08 0.00 0.00 178.44 179.01 3gxg h THR 170 N 1.07 1.20 -0.32 0.22 2.02 -0.91 -0.60 112.91 115.60 3gxg h THR 170 Ca 0.26 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3gxg h THR 170 Cb 0.13 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3gxg h THR 170 CO -0.03 0.21 0.15 -0.33 0.37 0.00 0.00 175.52 175.89 3gxg h GLU 171 N 0.19 0.46 -0.24 6.66 5.08 -0.80 -0.87 114.58 125.06 3gxg h GLU 171 Ca 0.07 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3gxg h GLU 171 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gxg h GLU 171 CO -0.00 0.43 -0.58 0.28 -1.00 0.00 0.00 179.01 178.14 3gxg h VAL 172 N 0.39 1.28 0.00 3.13 2.07 -1.26 -2.85 116.25 119.01 3gxg h VAL 172 Ca 0.11 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3gxg h VAL 172 Cb 0.12 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3gxg h VAL 172 CO -0.01 0.57 -0.11 0.28 0.02 0.00 0.00 177.57 178.32 3gxg h SER 173 N 0.58 0.00 0.49 0.57 0.02 -0.99 -2.18 113.55 112.04 3gxg h SER 173 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3gxg h SER 173 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3gxg h SER 173 CO 0.13 0.11 -0.19 0.00 -1.14 0.00 0.00 176.83 175.73 3gxg h ALA 174 N 1.89 1.25 0.00 3.77 0.00 -0.90 -2.26 119.26 123.00 3gxg h ALA 174 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gxg h ALA 174 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gxg h ALA 174 CO 0.01 0.24 0.00 0.87 0.00 0.00 0.00 179.25 180.38 3gxg h LYS 175 N 0.00 0.00 -5.37 0.00 1.57 -1.45 -3.47 116.57 107.85 3gxg h LYS 175 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 3gxg h LYS 175 Cb 0.49 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.66 3gxg h LYS 175 CO 0.03 0.00 -0.66 0.71 -0.57 0.00 0.00 179.45 178.95 3gxg s TYR 176 N -3.38 1.86 0.00 -1.35 2.02 -0.85 -5.14 117.35 110.51 3gxg s TYR 176 Ca 0.05 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 3gxg s TYR 176 Cb 0.09 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 3gxg s TYR 176 CO 0.55 0.17 0.00 0.41 -1.57 0.00 0.00 175.55 175.11 3gxg n GLY 177 N -0.56 1.45 0.00 0.71 0.00 -1.26 -4.99 105.19 100.54 3gxg n GLY 177 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3gxg n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74