#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxh h ILE 24 N 0.00 1.21 -0.52 1.53 6.09 -2.00 -1.95 117.51 121.87 3gxh h ILE 24 Ca 0.00 -0.68 0.06 0.00 -1.37 0.00 0.00 64.86 62.87 3gxh h ILE 24 Cb 0.00 0.57 -0.05 0.00 0.47 0.00 0.00 36.82 37.81 3gxh h ILE 24 CO 0.00 0.26 0.23 -0.08 -3.07 0.00 0.00 178.15 175.50 3gxh h GLU 25 N 0.80 0.44 0.00 2.19 4.81 -2.02 -0.75 114.58 120.06 3gxh h GLU 25 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3gxh h GLU 25 Cb 0.19 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3gxh h GLU 25 CO -0.01 0.29 -0.07 0.77 -0.73 0.00 0.00 179.01 179.26 3gxh h SER 26 N 0.45 0.00 0.11 1.04 0.02 -1.70 -1.10 113.55 112.37 3gxh h SER 26 Ca 0.24 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.95 3gxh h SER 26 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3gxh h SER 26 CO -0.20 0.07 -1.20 0.40 -1.14 0.00 0.00 176.83 174.76 3gxh h ILE 27 N 0.00 1.16 -0.91 3.27 2.04 -1.21 -2.82 117.51 119.05 3gxh h ILE 27 Ca -0.00 -2.41 0.25 0.00 1.00 0.00 0.00 64.86 63.70 3gxh h ILE 27 Cb 0.17 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 3gxh h ILE 27 CO 0.01 0.67 0.64 -0.33 0.00 0.00 0.00 178.15 179.14 3gxh h GLU 28 N -0.41 0.10 0.00 2.37 5.08 -1.19 -1.48 114.58 119.06 3gxh h GLU 28 Ca -0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3gxh h GLU 28 Cb 1.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3gxh h GLU 28 CO 0.06 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 3gxh n ASN 29 N -4.33 0.00 -0.43 1.42 3.02 -0.42 -2.53 115.26 111.98 3gxh n ASN 29 Ca 0.19 -0.46 0.12 0.00 -0.03 0.00 0.00 54.58 54.41 3gxh n ASN 29 Cb 0.92 -0.11 0.26 0.00 -0.61 0.00 0.00 39.78 40.24 3gxh n ASN 29 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gxh n LEU 30 N -1.11 1.59 0.00 3.41 4.77 -0.56 -4.51 117.00 120.60 3gxh n LEU 30 Ca 0.15 -0.52 0.12 0.00 -0.03 0.00 0.00 56.01 55.73 3gxh n LEU 30 Cb 0.11 -0.05 0.66 0.00 -2.33 0.00 0.00 43.42 41.81 3gxh n LEU 30 CO 0.14 0.29 0.89 0.00 -1.33 0.00 0.00 177.39 177.38 3gxh n GLN 31 N -0.13 0.57 0.00 3.23 1.13 -1.05 -1.87 117.38 119.26 3gxh n GLN 31 Ca 0.13 0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.34 3gxh n GLN 31 Cb 0.41 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.59 3gxh n GLN 31 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gxh n GLY 32 N 0.60 -0.82 3.71 1.08 0.00 -1.26 -4.89 105.19 103.61 3gxh n GLY 32 Ca 0.15 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3gxh n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxh s ILE 33 N -2.67 4.01 0.01 -0.61 1.01 -0.78 -4.93 121.20 117.24 3gxh s ILE 33 Ca 0.20 1.44 -0.36 0.00 0.00 0.00 0.00 60.65 61.92 3gxh s ILE 33 Cb 0.19 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.58 3gxh s ILE 33 CO 0.58 0.10 1.55 -1.14 0.00 0.00 0.00 174.94 176.03 3gxh n ARG 34 N 4.08 1.53 -2.41 2.79 0.63 -1.26 -2.28 116.66 119.74 3gxh n ARG 34 Ca 0.09 0.55 -0.16 0.00 -0.92 0.00 0.00 57.85 57.42 3gxh n ARG 34 Cb 0.46 -2.26 -0.01 0.00 0.45 0.00 0.00 32.46 31.10 3gxh n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gxh n ALA 35 N 3.85 -0.71 -2.14 5.13 0.00 -1.26 -0.25 120.51 125.13 3gxh n ALA 35 Ca 0.20 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3gxh n ALA 35 Cb 0.22 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3gxh n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gxh s LEU 36 N -5.75 4.38 -0.09 0.00 0.20 -0.97 -3.98 118.68 112.47 3gxh s LEU 36 Ca 0.00 2.33 -0.04 0.00 0.69 0.00 0.00 54.13 57.11 3gxh s LEU 36 Cb 0.00 -3.59 0.05 0.00 -0.43 0.00 0.00 46.19 42.22 3gxh s LEU 36 CO 0.00 -0.61 0.18 -1.58 -0.29 0.00 0.00 176.35 174.06 3gxh s GLN 37 N 0.76 0.08 -0.12 1.98 0.74 0.15 -4.99 119.66 118.25 3gxh s GLN 37 Ca 0.62 0.55 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 3gxh s GLN 37 Cb -0.36 -0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.53 3gxh s GLN 37 CO 0.32 -0.26 1.22 -1.14 -0.55 0.00 0.00 175.29 174.88 3gxh s GLN 38 N 2.01 4.29 -0.11 1.67 0.74 -1.26 -1.27 119.66 125.74 3gxh s GLN 38 Ca -0.01 1.64 0.16 0.00 0.05 0.00 0.00 55.36 57.21 3gxh s GLN 38 Cb -0.12 -3.66 -0.24 0.00 1.10 0.00 0.00 33.01 30.10 3gxh s GLN 38 CO -0.06 -0.58 0.39 1.04 -0.55 0.00 0.00 175.29 175.52 3gxh n GLN 39 N 5.93 0.66 -3.61 1.67 1.13 -0.09 -4.95 117.38 118.11 3gxh n GLN 39 Ca 0.12 0.12 -0.08 0.00 -1.94 0.00 0.00 57.00 55.22 3gxh n GLN 39 Cb 0.46 -1.65 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 3gxh n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxh s ALA 40 N -2.63 -1.63 0.51 -1.58 0.00 -0.85 -4.97 121.76 110.61 3gxh s ALA 40 Ca -0.07 0.43 0.25 0.00 0.00 0.00 0.00 51.96 52.57 3gxh s ALA 40 Cb 0.07 0.66 1.34 0.00 0.00 0.00 0.00 23.12 25.19 3gxh s ALA 40 CO 0.83 -0.86 1.95 -1.35 0.00 0.00 0.00 175.76 176.33 3gxh h PRO 41 N 2.00 0.09 -0.43 0.00 0.11 -2.03 -2.36 132.00 129.39 3gxh h PRO 41 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gxh h PRO 41 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gxh h PRO 41 CO 0.30 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.19 3gxh n GLN 42 N -4.38 2.67 -3.85 1.05 6.02 -1.26 -4.95 117.38 112.68 3gxh n GLN 42 Ca 0.13 -2.17 -0.26 0.00 -0.01 0.00 0.00 57.00 54.70 3gxh n GLN 42 Cb 0.67 -1.36 -0.17 0.00 1.02 0.00 0.00 30.24 30.40 3gxh n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gxh s LEU 43 N -1.02 1.00 0.01 1.08 2.96 -0.89 -1.50 118.68 120.32 3gxh s LEU 43 Ca 0.30 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3gxh s LEU 43 Cb 0.16 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 3gxh s LEU 43 CO 0.21 -0.16 0.09 -0.76 -1.32 0.00 0.00 176.35 174.41 3gxh s LEU 44 N 1.80 3.92 0.09 -0.68 1.43 0.02 -0.92 118.68 124.35 3gxh s LEU 44 Ca 0.05 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3gxh s LEU 44 Cb -0.13 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3gxh s LEU 44 CO -0.07 0.25 -0.23 -0.94 0.23 0.00 0.00 176.35 175.59 3gxh s SER 45 N -1.88 2.77 0.33 2.29 1.04 -0.39 -1.02 113.70 116.84 3gxh s SER 45 Ca 0.25 -0.67 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 3gxh s SER 45 Cb -0.12 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.86 3gxh s SER 45 CO 0.16 0.12 0.79 -0.94 0.98 0.00 0.00 173.24 174.35 3gxh s SER 46 N -1.77 -0.09 0.03 7.02 1.04 -0.78 -0.67 113.70 118.48 3gxh s SER 46 Ca 0.09 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3gxh s SER 46 Cb -0.10 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3gxh s SER 46 CO 0.04 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.36 3gxh n GLY 47 N -0.51 -0.47 3.61 7.32 0.00 0.65 -1.79 105.19 114.00 3gxh n GLY 47 Ca -0.07 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3gxh n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxh s LEU 48 N 0.00 3.99 0.34 0.99 2.96 -0.41 -4.39 118.68 122.16 3gxh s LEU 48 Ca 0.00 0.69 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 3gxh s LEU 48 Cb 0.00 -3.30 -0.10 0.00 0.50 0.00 0.00 46.19 43.29 3gxh s LEU 48 CO 0.00 -0.83 1.29 -2.84 -1.32 0.00 0.00 176.35 172.65 3gxh s PRO 49 N 3.44 4.30 0.97 0.98 0.02 -1.26 -4.61 135.00 138.85 3gxh s PRO 49 Ca 0.39 2.18 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 3gxh s PRO 49 Cb -0.12 -3.02 0.18 0.00 0.02 0.00 0.00 34.50 31.56 3gxh s PRO 49 CO 0.17 -0.22 1.23 0.54 -0.33 0.00 0.00 177.00 178.40 3gxh s ASN 50 N -0.56 3.05 0.12 2.53 2.20 -1.26 -4.89 114.94 116.13 3gxh s ASN 50 Ca 0.50 0.53 -0.20 0.00 -0.94 0.00 0.00 52.86 52.75 3gxh s ASN 50 Cb -0.39 -0.77 -0.06 0.00 -2.00 0.00 0.00 41.25 38.04 3gxh s ASN 50 CO 0.51 -2.80 1.73 -0.08 -2.94 0.00 0.00 177.10 173.52 3gxh h GLU 51 N -1.68 0.05 -0.19 3.55 4.81 -2.01 -2.12 114.58 117.00 3gxh h GLU 51 Ca -0.46 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3gxh h GLU 51 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3gxh h GLU 51 CO 0.46 0.04 -0.00 -0.56 -0.73 0.00 0.00 179.01 178.21 3gxh h GLN 52 N 0.06 0.28 0.00 1.92 -0.00 -2.01 -1.87 115.11 113.50 3gxh h GLN 52 Ca 0.07 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.64 3gxh h GLN 52 Cb 0.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 3gxh h GLN 52 CO -0.12 0.31 -0.19 1.96 -0.00 0.00 0.00 178.83 180.79 3gxh h GLN 53 N 0.28 0.00 -0.43 0.06 4.20 -1.75 -1.99 115.11 115.47 3gxh h GLN 53 Ca 0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3gxh h GLN 53 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3gxh h GLN 53 CO 0.00 0.19 -0.01 0.74 -0.67 0.00 0.00 178.83 179.08 3gxh h PHE 54 N 0.00 0.75 -0.70 2.96 0.04 -1.11 -0.61 116.94 118.27 3gxh h PHE 54 Ca -0.00 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3gxh h PHE 54 Cb 0.45 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3gxh h PHE 54 CO 0.00 0.72 0.29 0.77 -0.60 0.00 0.00 178.31 179.49 3gxh h SER 55 N 0.67 0.94 -0.69 2.17 0.02 -1.44 -1.91 113.55 113.32 3gxh h SER 55 Ca 0.13 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3gxh h SER 55 Cb 0.44 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3gxh h SER 55 CO 0.02 0.84 0.20 -0.07 -1.14 0.00 0.00 176.83 176.67 3gxh h LEU 56 N 1.01 1.01 -0.35 5.07 3.38 -1.17 -1.25 115.31 123.02 3gxh h LEU 56 Ca 0.24 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3gxh h LEU 56 Cb 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3gxh h LEU 56 CO -0.02 0.96 0.17 -0.07 0.09 0.00 0.00 178.44 179.57 3gxh h LEU 57 N 1.01 0.24 -0.39 1.67 3.38 -0.89 -1.24 115.31 119.10 3gxh h LEU 57 Ca 0.22 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3gxh h LEU 57 Cb 0.32 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3gxh h LEU 57 CO -0.00 0.18 0.23 0.50 0.09 0.00 0.00 178.44 179.44 3gxh h LYS 58 N 0.35 0.46 0.00 1.13 1.63 -1.05 -1.67 116.57 117.41 3gxh h LYS 58 Ca 0.15 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3gxh h LYS 58 Cb 0.06 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3gxh h LYS 58 CO -0.11 0.30 -0.12 1.96 -3.45 0.00 0.00 179.45 178.04 3gxh h GLN 59 N 0.47 0.00 0.00 1.90 4.20 -0.84 -0.87 115.11 119.98 3gxh h GLN 59 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gxh h GLN 59 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gxh h GLN 59 CO -0.07 0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 3gxh n ALA 60 N -2.46 2.30 0.00 3.87 0.00 -0.50 -4.77 120.51 118.96 3gxh n ALA 60 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3gxh n ALA 60 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3gxh n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxh n GLY 61 N 1.25 0.94 3.74 0.00 0.00 -0.33 -4.77 105.19 106.02 3gxh n GLY 61 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3gxh n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxh s VAL 62 N -2.00 2.93 -0.19 1.61 1.01 -0.67 -4.61 120.40 118.48 3gxh s VAL 62 Ca 0.00 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.86 3gxh s VAL 62 Cb 0.00 -3.50 -0.18 0.00 0.00 0.00 0.00 36.38 32.70 3gxh s VAL 62 CO 0.00 0.12 -0.04 0.47 0.00 0.00 0.00 175.10 175.65 3gxh n ASP 63 N 2.38 1.42 -3.92 3.32 8.00 0.68 -4.50 116.55 123.93 3gxh n ASP 63 Ca 0.06 -0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 3gxh n ASP 63 Cb 0.42 0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 41.78 3gxh n ASP 63 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gxh s VAL 64 N -2.42 0.30 -0.17 2.53 1.01 -0.94 -1.07 120.40 119.63 3gxh s VAL 64 Ca -0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3gxh s VAL 64 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3gxh s VAL 64 CO 0.62 0.10 -0.12 -0.69 0.00 0.00 0.00 175.10 175.01 3gxh s VAL 65 N 0.12 2.94 -0.30 2.92 1.01 0.17 -1.18 120.40 126.07 3gxh s VAL 65 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 3gxh s VAL 65 Cb -0.04 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.09 3gxh s VAL 65 CO -0.00 0.49 0.08 -0.63 0.00 0.00 0.00 175.10 175.03 3gxh s ILE 66 N 0.96 3.86 -0.28 2.22 1.01 0.62 -1.08 121.20 128.51 3gxh s ILE 66 Ca -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3gxh s ILE 66 Cb -0.15 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3gxh s ILE 66 CO -0.01 0.03 0.12 0.21 0.00 0.00 0.00 174.94 175.29 3gxh s ASN 67 N 1.47 5.45 -1.14 3.58 2.47 0.27 -1.24 114.94 125.79 3gxh s ASN 67 Ca 0.01 -0.30 -0.09 0.00 0.42 0.00 0.00 52.86 52.90 3gxh s ASN 67 Cb -0.18 -1.99 0.26 0.00 -1.45 0.00 0.00 41.25 37.90 3gxh s ASN 67 CO 0.02 -0.10 1.29 0.18 -3.72 0.00 0.00 177.10 174.77 3gxh n LEU 68 N 4.97 5.72 -4.31 3.21 4.77 -0.21 -1.22 117.00 129.93 3gxh n LEU 68 Ca -0.15 -4.95 -0.32 0.00 -0.03 0.00 0.00 56.01 50.57 3gxh n LEU 68 Cb 0.51 -1.46 -0.16 0.00 -2.33 0.00 0.00 43.42 39.97 3gxh n LEU 68 CO 0.32 1.31 -0.55 -2.84 -1.33 0.00 0.00 177.39 174.30 3gxh s PRO 70 N -0.98 2.46 0.54 3.23 0.02 -1.26 -1.21 135.00 137.79 3gxh s PRO 70 Ca 0.34 -0.88 0.22 0.00 0.02 0.00 0.00 61.00 60.70 3gxh s PRO 70 Cb -0.05 -2.17 1.48 0.00 0.02 0.00 0.00 34.50 33.78 3gxh s PRO 70 CO -0.02 0.45 2.18 -0.44 -0.33 0.00 0.00 177.00 178.84 3gxh h ASP 71 N 5.85 0.00 0.52 2.53 3.32 -1.99 -1.74 116.42 124.91 3gxh h ASP 71 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3gxh h ASP 71 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3gxh h ASP 71 CO 0.48 0.02 0.00 0.77 -1.72 0.00 0.00 179.24 178.79 3gxh h SER 72 N 0.00 0.00 -3.62 6.45 4.64 -1.98 -3.44 113.55 115.60 3gxh h SER 72 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3gxh h SER 72 Cb 0.04 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.21 3gxh h SER 72 CO 0.00 0.00 0.80 -0.55 -0.87 0.00 0.00 176.83 176.21 3gxh s SER 73 N -4.35 6.44 0.62 4.97 0.15 -0.65 -4.87 113.70 116.01 3gxh s SER 73 Ca 0.02 2.92 0.40 0.00 0.70 0.00 0.00 55.95 59.98 3gxh s SER 73 Cb 0.09 -2.65 1.97 0.00 -1.71 0.00 0.00 66.02 63.72 3gxh s SER 73 CO 0.35 -0.83 2.21 0.11 1.20 0.00 0.00 173.24 176.28 3gxh h LYS 74 N 4.03 0.00 0.00 5.44 6.56 -1.90 -1.92 116.57 128.79 3gxh h LYS 74 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 3gxh h LYS 74 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3gxh h LYS 74 CO 0.72 0.01 -0.50 -0.25 -2.06 0.00 0.00 179.45 177.36 3gxh n ASP 75 N -3.11 0.50 -4.77 0.86 8.00 -1.26 -4.95 116.55 111.82 3gxh n ASP 75 Ca -0.02 -0.16 -0.33 0.00 0.71 0.00 0.00 54.79 54.99 3gxh n ASP 75 Cb 0.17 0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.53 3gxh n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxh s ALA 76 N -3.02 2.48 0.49 2.24 0.00 -0.72 -5.00 121.76 118.23 3gxh s ALA 76 Ca 0.10 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 3gxh s ALA 76 Cb 0.17 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 3gxh s ALA 76 CO 0.70 -1.26 1.28 -1.01 0.00 0.00 0.00 175.76 175.46 3gxh s HIS 77 N -2.32 2.59 0.46 0.00 3.76 -1.26 -4.90 115.29 113.61 3gxh s HIS 77 Ca 0.67 1.44 0.13 0.00 -0.15 0.00 0.00 55.06 57.15 3gxh s HIS 77 Cb -0.21 -3.62 1.05 0.00 1.11 0.00 0.00 32.58 30.91 3gxh s HIS 77 CO 0.41 -2.25 2.06 -1.35 -0.85 0.00 0.00 174.74 172.75 3gxh h PRO 78 N 1.86 0.14 -1.49 8.40 0.11 -1.94 -3.36 132.00 135.73 3gxh h PRO 78 Ca -0.50 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.29 3gxh h PRO 78 Cb 1.27 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 3gxh h PRO 78 CO 0.59 0.17 -0.66 0.34 -0.21 0.00 0.00 178.00 178.24 3gxh s ASP 79 N -6.95 -0.42 0.24 -2.05 -1.08 -1.26 -5.01 116.67 100.14 3gxh s ASP 79 Ca -0.05 -2.15 -0.07 0.00 -0.52 0.00 0.00 52.55 49.75 3gxh s ASP 79 Cb 0.16 1.08 0.24 0.00 -1.46 0.00 0.00 42.92 42.95 3gxh s ASP 79 CO 0.70 -0.10 1.90 -0.08 0.52 0.00 0.00 175.17 178.11 3gxh h GLU 80 N 5.33 1.18 -0.55 4.34 4.81 -1.97 -2.60 114.58 125.12 3gxh h GLU 80 Ca 0.13 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3gxh h GLU 80 Cb 1.04 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3gxh h GLU 80 CO 0.14 0.78 0.36 0.78 -0.73 0.00 0.00 179.01 180.34 3gxh h GLY 81 N 1.21 0.73 0.90 1.92 0.00 -1.95 0.26 103.07 106.15 3gxh h GLY 81 Ca 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3gxh h GLY 81 CO -0.09 0.24 0.17 1.70 0.00 0.00 0.00 176.54 178.56 3gxh h LYS 82 N 0.67 0.34 -0.68 4.80 3.64 -1.90 0.09 116.57 123.53 3gxh h LYS 82 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3gxh h LYS 82 Cb 0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3gxh h LYS 82 CO -0.05 0.23 0.29 -0.07 -2.27 0.00 0.00 179.45 177.57 3gxh h LEU 83 N 0.35 0.93 -0.13 5.20 3.38 -1.04 -0.14 115.31 123.86 3gxh h LEU 83 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gxh h LEU 83 Cb 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3gxh h LEU 83 CO -0.07 0.83 -0.04 0.58 0.09 0.00 0.00 178.44 179.83 3gxh h VAL 84 N 0.96 1.30 -0.10 1.22 2.07 -0.83 -2.01 116.25 118.86 3gxh h VAL 84 Ca 0.23 -1.02 -0.17 0.00 0.82 0.00 0.00 66.70 66.56 3gxh h VAL 84 Cb 0.18 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3gxh h VAL 84 CO -0.02 0.29 -0.65 0.71 0.02 0.00 0.00 177.57 177.92 3gxh h THR 85 N -0.06 1.37 0.00 2.57 1.35 -0.92 -2.61 112.91 114.61 3gxh h THR 85 Ca 0.03 -2.02 -0.05 0.00 -0.55 0.00 0.00 66.41 63.82 3gxh h THR 85 Cb 0.48 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 3gxh h THR 85 CO 0.02 0.61 -0.23 1.56 -0.25 0.00 0.00 175.52 177.22 3gxh h GLN 86 N 0.28 0.00 -0.01 4.72 1.08 -1.01 -1.12 115.11 119.05 3gxh h GLN 86 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3gxh h GLN 86 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3gxh h GLN 86 CO 0.11 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.22 3gxh n ALA 87 N -2.48 2.63 -1.10 3.87 0.00 -0.76 -5.09 120.51 117.58 3gxh n ALA 87 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gxh n ALA 87 Cb 0.29 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gxh n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxh n GLY 88 N 0.90 0.89 3.44 0.00 0.00 -0.43 -4.76 105.19 105.23 3gxh n GLY 88 Ca 0.17 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3gxh n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gxh s ASP 90 N -2.70 3.64 -0.10 1.61 1.01 -0.23 -5.00 116.67 114.89 3gxh s ASP 90 Ca 0.00 -0.58 0.03 0.00 0.71 0.00 0.00 52.55 52.71 3gxh s ASP 90 Cb 0.00 -0.45 0.01 0.00 1.01 0.00 0.00 42.92 43.49 3gxh s ASP 90 CO 0.00 0.21 -0.19 -0.47 0.21 0.00 0.00 175.17 174.93 3gxh s TYR 91 N -1.03 2.18 -0.09 4.23 5.04 -1.26 -0.65 117.35 125.77 3gxh s TYR 91 Ca 0.15 -0.93 0.03 0.00 -2.44 0.00 0.00 57.07 53.88 3gxh s TYR 91 Cb -0.10 -1.51 0.01 0.00 0.35 0.00 0.00 41.96 40.71 3gxh s TYR 91 CO 0.07 -0.42 -0.17 0.08 -1.34 0.00 0.00 175.55 173.77 3gxh s VAL 92 N 0.60 1.57 -0.25 3.14 1.01 -0.24 -4.98 120.40 121.24 3gxh s VAL 92 Ca -0.14 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 3gxh s VAL 92 Cb -0.17 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.86 3gxh s VAL 92 CO 0.04 0.45 -0.08 -0.47 0.00 0.00 0.00 175.10 175.04 3gxh s TYR 93 N 0.60 3.10 -0.56 5.22 5.04 -1.26 -0.56 117.35 128.92 3gxh s TYR 93 Ca -0.15 -1.78 0.04 0.00 -2.44 0.00 0.00 57.07 52.74 3gxh s TYR 93 Cb -0.16 -2.02 0.17 0.00 0.35 0.00 0.00 41.96 40.30 3gxh s TYR 93 CO 0.05 -0.78 0.41 0.42 -1.34 0.00 0.00 175.55 174.31 3gxh s ILE 94 N 1.26 1.63 0.28 3.14 1.01 -0.36 -4.98 121.20 123.18 3gxh s ILE 94 Ca -0.02 -3.45 -0.29 0.00 0.00 0.00 0.00 60.65 56.89 3gxh s ILE 94 Cb -0.17 -2.09 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 3gxh s ILE 94 CO -0.05 -1.11 1.21 -2.16 0.00 0.00 0.00 174.94 172.83 3gxh s PRO 95 N -0.67 4.49 -0.14 2.79 0.04 -1.26 -4.10 135.00 136.14 3gxh s PRO 95 Ca 0.28 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.34 3gxh s PRO 95 Cb -0.01 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3gxh s PRO 95 CO -0.18 -0.03 -0.22 0.08 0.04 0.00 0.00 177.00 176.70 3gxh s VAL 96 N -0.86 2.08 -0.01 -0.36 1.01 -0.35 -4.93 120.40 116.97 3gxh s VAL 96 Ca 0.49 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3gxh s VAL 96 Cb -0.35 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3gxh s VAL 96 CO 0.44 0.55 1.17 -0.62 0.00 0.00 0.00 175.10 176.64 3gxh s ASP 97 N 0.82 7.10 0.20 3.32 2.15 -1.26 -4.56 116.67 124.44 3gxh s ASP 97 Ca -0.07 1.86 -0.10 0.00 0.43 0.00 0.00 52.55 54.67 3gxh s ASP 97 Cb -0.15 -2.57 0.13 0.00 -0.30 0.00 0.00 42.92 40.03 3gxh s ASP 97 CO -0.02 -0.50 1.81 -0.25 -0.17 0.00 0.00 175.17 176.03 3gxh h TRP 98 N 7.15 0.98 0.00 -5.34 2.91 -1.98 -2.30 115.95 117.37 3gxh h TRP 98 Ca -0.37 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.62 3gxh h TRP 98 Cb 1.19 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 3gxh h TRP 98 CO 0.70 0.70 -0.18 0.00 -1.03 0.00 0.00 178.44 178.63 3gxh n GLN 99 N -4.48 0.00 -2.93 2.65 10.64 -1.26 -4.31 117.38 117.69 3gxh n GLN 99 Ca 0.06 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.09 3gxh n GLN 99 Cb 0.10 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 27.99 3gxh n GLN 99 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3gxh n ASN 100 N -1.51 -1.34 -4.76 2.61 5.15 -1.11 -4.98 115.26 109.33 3gxh n ASN 100 Ca 0.06 -3.20 -0.41 0.00 -0.60 0.00 0.00 54.58 50.44 3gxh n ASN 100 Cb 0.34 0.80 -0.02 0.00 -0.53 0.00 0.00 39.78 40.38 3gxh n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxh s PRO 101 N -0.43 4.28 0.09 1.20 0.04 -0.88 -4.57 135.00 134.72 3gxh s PRO 101 Ca 0.32 2.32 0.07 0.00 0.04 0.00 0.00 61.00 63.74 3gxh s PRO 101 Cb 0.25 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3gxh s PRO 101 CO -0.14 -0.33 -0.10 0.15 0.04 0.00 0.00 177.00 176.62 3gxh s LYS 102 N -1.40 2.18 0.36 4.56 1.02 -1.26 -4.94 119.74 120.26 3gxh s LYS 102 Ca 0.53 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 55.62 3gxh s LYS 102 Cb -0.42 -2.32 0.79 0.00 -0.52 0.00 0.00 37.83 35.36 3gxh s LYS 102 CO 0.52 0.52 1.89 0.28 -0.92 0.00 0.00 175.35 177.64 3gxh h VAL 103 N 3.36 0.89 -0.23 3.17 2.07 -1.95 0.03 116.25 123.59 3gxh h VAL 103 Ca -0.49 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3gxh h VAL 103 Cb 1.17 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3gxh h VAL 103 CO 0.52 0.13 0.08 -0.08 0.02 0.00 0.00 177.57 178.24 3gxh h GLU 104 N 0.72 0.32 -0.28 1.57 4.81 -1.98 -0.12 114.58 119.61 3gxh h GLU 104 Ca 0.41 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 3gxh h GLU 104 Cb 0.60 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3gxh h GLU 104 CO -0.18 0.28 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.94 3gxh h ASP 105 N 0.32 0.49 -0.33 1.04 3.32 -1.40 -0.67 116.42 119.19 3gxh h ASP 105 Ca 0.08 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3gxh h ASP 105 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3gxh h ASP 105 CO -0.01 0.68 0.22 0.58 -1.72 0.00 0.00 179.24 178.99 3gxh h VAL 106 N 0.28 1.08 -0.46 -1.35 2.07 -1.01 -1.34 116.25 115.52 3gxh h VAL 106 Ca 0.08 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3gxh h VAL 106 Cb 0.43 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3gxh h VAL 106 CO 0.01 0.08 0.08 -0.33 0.02 0.00 0.00 177.57 177.44 3gxh h GLU 107 N 0.45 0.71 -0.71 1.57 5.08 -0.99 0.47 114.58 121.16 3gxh h GLU 107 Ca 0.12 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3gxh h GLU 107 Cb -0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3gxh h GLU 107 CO -0.03 0.67 0.30 0.00 -1.00 0.00 0.00 179.01 178.95 3gxh h ALA 108 N 1.40 0.92 -0.29 3.43 0.00 -0.84 0.10 119.26 123.99 3gxh h ALA 108 Ca 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gxh h ALA 108 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gxh h ALA 108 CO 0.00 0.53 0.18 0.35 0.00 0.00 0.00 179.25 180.31 3gxh h PHE 109 N 1.01 0.38 -0.93 0.00 3.57 -0.54 -0.56 116.94 119.86 3gxh h PHE 109 Ca 0.24 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3gxh h PHE 109 Cb 0.18 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3gxh h PHE 109 CO 0.01 0.27 0.61 0.74 -2.23 0.00 0.00 178.31 177.72 3gxh h PHE 110 N 0.38 1.14 -0.47 0.41 0.04 -0.50 -2.31 116.94 115.63 3gxh h PHE 110 Ca 0.11 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 3gxh h PHE 110 Cb -0.00 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.75 3gxh h PHE 110 CO -0.05 0.66 -0.13 0.00 -0.60 0.00 0.00 178.31 178.20 3gxh h ALA 111 N 1.45 0.88 0.00 2.45 0.00 -0.76 -1.01 119.26 122.27 3gxh h ALA 111 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gxh h ALA 111 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gxh h ALA 111 CO -0.11 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3gxh n ALA 112 N -2.49 1.72 0.00 0.00 0.00 -0.24 -1.61 120.51 117.89 3gxh n ALA 112 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gxh n ALA 112 Cb 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3gxh n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxh n ASP 114 N 0.81 0.00 0.00 0.00 8.00 -0.39 -2.43 116.55 122.55 3gxh n ASP 114 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3gxh n ASP 114 Cb 0.12 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.64 3gxh n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxh n GLN 115 N 0.00 0.02 -1.79 -1.24 6.02 -0.63 -2.94 117.38 116.82 3gxh n GLN 115 Ca 0.00 0.17 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 3gxh n GLN 115 Cb 0.00 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.83 3gxh n GLN 115 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gxh n HIS 116 N -1.48 1.74 -1.68 1.08 8.25 -1.02 -5.07 115.22 117.05 3gxh n HIS 116 Ca 0.05 -1.94 -0.45 0.00 -0.26 0.00 0.00 57.72 55.11 3gxh n HIS 116 Cb 0.22 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 3gxh n HIS 116 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3gxh n LYS 117 N -0.71 2.23 -0.66 -0.41 4.81 -1.15 -1.43 118.16 120.84 3gxh n LYS 117 Ca 0.30 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 3gxh n LYS 117 Cb 0.89 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.36 3gxh n LYS 117 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gxh n GLY 118 N 3.44 1.34 3.91 3.14 0.00 -1.26 -5.04 105.19 110.72 3gxh n GLY 118 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3gxh n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxh s LYS 119 N -0.13 3.61 -0.20 1.61 -0.14 -0.51 -5.07 119.74 118.90 3gxh s LYS 119 Ca 0.00 0.06 -0.25 0.00 -1.36 0.00 0.00 55.97 54.42 3gxh s LYS 119 Cb 0.00 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.59 3gxh s LYS 119 CO 0.00 0.06 0.81 -0.51 -0.76 0.00 0.00 175.35 174.95 3gxh s ASP 120 N -3.55 6.88 -0.03 2.83 1.01 -1.26 -4.87 116.67 117.68 3gxh s ASP 120 Ca 0.45 1.08 0.07 0.00 0.71 0.00 0.00 52.55 54.87 3gxh s ASP 120 Cb -0.10 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3gxh s ASP 120 CO 0.35 -0.43 -0.25 -0.69 0.21 0.00 0.00 175.17 174.35 3gxh s VAL 121 N 2.40 2.01 -0.19 -1.27 1.01 -0.56 -0.23 120.40 123.56 3gxh s VAL 121 Ca 0.36 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3gxh s VAL 121 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3gxh s VAL 121 CO 0.10 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.57 3gxh s LEU 122 N -0.49 3.42 -0.15 3.92 2.96 -0.32 -0.80 118.68 127.22 3gxh s LEU 122 Ca 0.07 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3gxh s LEU 122 Cb -0.11 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3gxh s LEU 122 CO 0.00 0.10 -0.02 0.54 -1.32 0.00 0.00 176.35 175.65 3gxh s VAL 123 N 0.78 4.05 0.19 1.68 0.11 -0.19 -0.27 120.40 126.74 3gxh s VAL 123 Ca 0.01 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 3gxh s VAL 123 Cb -0.14 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 3gxh s VAL 123 CO 0.02 0.50 0.22 -1.38 -3.33 0.00 0.00 175.10 171.13 3gxh s HIS 124 N 0.19 0.83 0.00 1.54 -0.00 -0.38 -1.87 115.29 115.60 3gxh s HIS 124 Ca -0.01 -1.12 0.00 0.00 -0.00 0.00 0.00 55.06 53.93 3gxh s HIS 124 Cb -0.14 -0.31 0.00 0.00 -0.00 0.00 0.00 32.58 32.13 3gxh s HIS 124 CO 0.02 -0.71 0.00 0.00 -0.00 0.00 0.00 174.74 174.06 3gxh h LEU 126 N 0.00 0.22 -2.33 0.00 5.85 -1.86 -1.17 115.31 116.02 3gxh h LEU 126 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3gxh h LEU 126 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3gxh h LEU 126 CO 0.00 1.65 -0.20 0.00 -0.34 0.00 0.00 178.44 179.54 3gxh n ALA 127 N -3.19 1.96 -1.73 1.25 0.00 -1.26 -1.29 120.51 116.25 3gxh n ALA 127 Ca -0.31 -1.50 -0.11 0.00 0.00 0.00 0.00 53.44 51.52 3gxh n ALA 127 Cb 0.85 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3gxh n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gxh n ASN 128 N -0.56 -4.03 -0.05 0.00 5.15 -1.24 -4.66 115.26 109.87 3gxh n ASN 128 Ca 0.06 0.15 -0.00 0.00 -0.60 0.00 0.00 54.58 54.18 3gxh n ASN 128 Cb 0.60 -2.85 -0.00 0.00 -0.53 0.00 0.00 39.78 37.00 3gxh n ASN 128 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3gxh h TYR 129 N 0.00 0.00 -0.31 1.20 -1.99 -1.89 -2.87 116.97 111.11 3gxh h TYR 129 Ca -0.25 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.55 3gxh h TYR 129 Cb 0.94 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.61 3gxh h TYR 129 CO 0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.40 3gxh h ARG 130 N -0.94 0.01 -0.50 4.88 3.08 -1.97 -2.37 114.38 116.58 3gxh h ARG 130 Ca 0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3gxh h ARG 130 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gxh h ARG 130 CO 0.00 0.01 -0.06 0.00 -1.07 0.00 0.00 179.97 178.85 3gxh h ALA 131 N 1.31 0.67 -0.18 0.04 0.00 -1.87 -0.86 119.26 118.37 3gxh h ALA 131 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3gxh h ALA 131 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gxh h ALA 131 CO -0.32 0.53 -0.32 0.66 0.00 0.00 0.00 179.25 179.81 3gxh h SER 132 N 0.77 0.37 -0.30 0.00 4.64 -1.40 0.80 113.55 118.43 3gxh h SER 132 Ca 0.13 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gxh h SER 132 Cb 0.59 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3gxh h SER 132 CO 0.04 0.68 0.04 0.00 -0.87 0.00 0.00 176.83 176.72 3gxh h ALA 133 N 1.35 0.40 -0.40 5.18 0.00 -1.17 -0.89 119.26 123.73 3gxh h ALA 133 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3gxh h ALA 133 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gxh h ALA 133 CO 0.06 0.10 -0.23 0.74 0.00 0.00 0.00 179.25 179.92 3gxh h PHE 134 N 0.32 0.90 -0.65 0.00 -1.00 -0.95 -1.80 116.94 113.77 3gxh h PHE 134 Ca 0.09 -0.21 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 3gxh h PHE 134 Cb 0.36 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 3gxh h PHE 134 CO 0.02 0.94 0.27 0.00 -1.61 0.00 0.00 178.31 177.94 3gxh h ALA 135 N 1.05 0.84 -0.36 2.45 0.00 -0.71 -0.99 119.26 121.54 3gxh h ALA 135 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gxh h ALA 135 Cb 0.74 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gxh h ALA 135 CO 0.06 0.45 0.16 -0.92 0.00 0.00 0.00 179.25 179.00 3gxh h TYR 136 N 0.91 0.29 -0.35 0.00 3.20 -0.90 -0.68 116.97 119.45 3gxh h TYR 136 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 3gxh h TYR 136 Cb 0.19 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3gxh h TYR 136 CO 0.01 0.14 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.52 3gxh h LEU 137 N 0.33 0.56 -0.05 2.82 3.38 -0.98 -0.06 115.31 121.32 3gxh h LEU 137 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gxh h LEU 137 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gxh h LEU 137 CO -0.13 0.69 0.01 0.22 0.09 0.00 0.00 178.44 179.31 3gxh h TYR 138 N 0.54 0.09 -0.84 1.13 3.20 -0.79 -0.68 116.97 119.62 3gxh h TYR 138 Ca 0.10 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3gxh h TYR 138 Cb 0.48 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3gxh h TYR 138 CO 0.02 0.34 0.40 1.96 -1.64 0.00 0.00 178.16 179.24 3gxh h GLN 139 N -0.18 1.20 -0.36 1.82 4.20 -0.88 -1.15 115.11 119.77 3gxh h GLN 139 Ca 0.02 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3gxh h GLN 139 Cb 0.30 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3gxh h GLN 139 CO 0.00 0.92 0.22 1.25 -0.67 0.00 0.00 178.83 180.55 3gxh h LEU 140 N 1.19 0.42 -0.76 1.46 5.85 -0.87 -0.98 115.31 121.62 3gxh h LEU 140 Ca 0.29 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3gxh h LEU 140 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3gxh h LEU 140 CO -0.04 0.35 -0.40 0.07 -0.34 0.00 0.00 178.44 178.08 3gxh h LYS 141 N 0.47 0.00 0.00 1.25 5.09 -0.79 -2.03 116.57 120.56 3gxh h LYS 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 3gxh h LYS 141 Cb -0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3gxh h LYS 141 CO -0.02 0.40 0.00 1.04 -2.09 0.00 0.00 179.45 178.77 3gxh n GLN 142 N -3.46 0.36 -1.01 0.07 1.13 -0.47 -4.88 117.38 109.13 3gxh n GLN 142 Ca 0.00 0.08 -0.00 0.00 -1.94 0.00 0.00 57.00 55.14 3gxh n GLN 142 Cb 0.55 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.40 3gxh n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gxh n GLY 143 N 0.26 0.43 0.32 1.08 0.00 -0.76 -4.94 105.19 101.57 3gxh n GLY 143 Ca 0.10 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.48 3gxh n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gxh n GLN 144 N -2.97 1.44 -3.80 1.61 6.02 -0.39 -4.97 117.38 114.31 3gxh n GLN 144 Ca -0.00 -0.64 -0.35 0.00 -0.01 0.00 0.00 57.00 56.00 3gxh n GLN 144 Cb 0.01 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.82 3gxh n GLN 144 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxh n ASN 145 N -0.23 -4.62 -4.77 1.08 5.15 -1.26 -4.93 115.26 105.69 3gxh n ASN 145 Ca 0.21 -1.09 -0.33 0.00 -0.60 0.00 0.00 54.58 52.77 3gxh n ASN 145 Cb 0.27 -2.92 0.05 0.00 -0.53 0.00 0.00 39.78 36.65 3gxh n ASN 145 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxh s PRO 146 N -6.39 2.76 0.08 1.20 0.04 -1.26 -5.06 135.00 126.36 3gxh s PRO 146 Ca 0.44 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 3gxh s PRO 146 Cb -0.18 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3gxh s PRO 146 CO 0.89 -1.29 0.10 -1.71 0.04 0.00 0.00 177.00 175.04 3gxh n ASN 147 N -2.44 0.11 0.00 6.66 2.85 -1.26 -5.00 115.26 116.18 3gxh n ASN 147 Ca 0.11 -1.10 0.00 0.00 -0.11 0.00 0.00 54.58 53.47 3gxh n ASN 147 Cb 0.52 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.47 3gxh n ASN 147 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gxh n ALA 149 N -3.01 0.00 -0.02 5.20 0.00 -1.26 -1.13 120.51 120.29 3gxh n ALA 149 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3gxh n ALA 149 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 3gxh n ALA 149 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3gxh h GLN 150 N 0.00 0.11 -1.00 0.00 4.15 -2.04 -2.69 115.11 113.64 3gxh h GLN 150 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3gxh h GLN 150 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3gxh h GLN 150 CO 0.00 0.38 0.00 2.41 -1.93 0.00 0.00 178.83 179.69 3gxh n THR 151 N -4.87 0.09 0.00 2.39 -1.04 -0.29 -4.87 114.28 105.69 3gxh n THR 151 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3gxh n THR 151 Cb 0.19 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3gxh n THR 151 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gxh n THR 153 N 0.66 0.00 0.29 12.58 -1.04 -1.02 -4.84 114.28 120.92 3gxh n THR 153 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 3gxh n THR 153 Cb 0.07 0.00 0.92 0.00 -1.82 0.00 0.00 70.33 69.49 3gxh n THR 153 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3gxh h PRO 154 N 0.00 0.00 0.00 -2.82 0.11 -1.89 -0.99 132.00 126.40 3gxh h PRO 154 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gxh h PRO 154 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gxh h PRO 154 CO 0.00 0.00 0.00 -1.49 -0.21 0.00 0.00 178.00 176.30 3gxh h TRP 155 N 0.00 0.00 -6.63 0.65 4.06 -1.92 -3.46 115.95 108.64 3gxh h TRP 155 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 3gxh h TRP 155 Cb 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.16 3gxh h TRP 155 CO 0.00 0.00 -0.87 -1.71 -3.56 0.00 0.00 178.44 172.30 3gxh n ASN 156 N -2.37 -1.57 -2.22 -3.49 2.85 -0.38 -0.55 115.26 107.53 3gxh n ASN 156 Ca 0.02 -1.02 -0.19 0.00 -0.11 0.00 0.00 54.58 53.29 3gxh n ASN 156 Cb 0.27 -2.87 -0.02 0.00 1.24 0.00 0.00 39.78 38.40 3gxh n ASN 156 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3gxh n ASP 157 N -2.84 -5.38 -1.10 1.20 5.68 -1.26 -4.91 116.55 107.94 3gxh n ASP 157 Ca -0.15 0.13 0.12 0.00 -0.50 0.00 0.00 54.79 54.39 3gxh n ASP 157 Cb 0.60 -4.55 0.23 0.00 -1.14 0.00 0.00 41.12 36.26 3gxh n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gxh n GLU 158 N -2.82 2.44 -0.23 0.11 1.02 0.29 -4.48 120.64 116.96 3gxh n GLU 158 Ca -0.22 -2.18 0.11 0.00 -0.02 0.00 0.00 57.16 54.86 3gxh n GLU 158 Cb 0.66 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.97 3gxh n GLU 158 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gxh h LEU 159 N 4.25 0.62 0.00 -4.62 5.85 -1.91 -2.47 115.31 117.02 3gxh h LEU 159 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gxh h LEU 159 Cb 0.94 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3gxh h LEU 159 CO 0.00 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3gxh n ALA 160 N -2.45 1.76 0.39 1.25 0.00 -1.26 -1.59 120.51 118.61 3gxh n ALA 160 Ca 0.15 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.62 3gxh n ALA 160 Cb 0.42 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.78 3gxh n ALA 160 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3gxh n ILE 161 N -1.36 0.36 -3.79 0.00 -5.35 -0.93 -4.68 119.36 103.61 3gxh n ILE 161 Ca 0.06 -0.68 -0.29 0.00 -0.27 0.00 0.00 62.75 61.56 3gxh n ILE 161 Cb 0.13 1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 39.00 3gxh n ILE 161 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3gxh n TYR 162 N 1.08 3.46 0.28 4.28 4.01 -0.62 -4.96 117.16 124.69 3gxh n TYR 162 Ca 0.14 -4.25 0.12 0.00 -0.16 0.00 0.00 57.90 53.75 3gxh n TYR 162 Cb 0.49 -0.70 0.79 0.00 -0.31 0.00 0.00 39.34 39.60 3gxh n TYR 162 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gxh h PRO 163 N 5.30 0.00 -0.55 -0.72 0.13 -1.84 -0.79 132.00 133.54 3gxh h PRO 163 Ca 0.16 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.19 3gxh h PRO 163 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3gxh h PRO 163 CO 0.76 0.04 -0.06 0.87 -0.23 0.00 0.00 178.00 179.39 3gxh h LYS 164 N 0.00 1.00 -0.40 0.86 1.79 -1.93 0.37 116.57 118.25 3gxh h LYS 164 Ca -0.00 -0.33 -0.07 0.00 -2.18 0.00 0.00 60.65 58.07 3gxh h LYS 164 Cb 0.10 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3gxh h LYS 164 CO 0.01 1.01 -0.02 -1.49 -1.08 0.00 0.00 179.45 177.88 3gxh h TRP 165 N 0.90 0.79 -0.75 -1.35 4.06 -1.54 -1.72 115.95 116.34 3gxh h TRP 165 Ca 0.15 -0.14 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 3gxh h TRP 165 Cb 0.60 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3gxh h TRP 165 CO 0.04 0.81 0.32 0.37 -3.56 0.00 0.00 178.44 176.42 3gxh h GLN 166 N 0.55 1.11 -0.75 0.49 5.75 -1.06 -1.28 115.11 119.91 3gxh h GLN 166 Ca 0.11 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3gxh h GLN 166 Cb 0.50 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3gxh h GLN 166 CO 0.02 0.89 0.28 0.00 -2.65 0.00 0.00 178.83 177.37 3gxh h ALA 167 N 1.16 0.98 0.18 3.38 0.00 -0.84 -0.87 119.26 123.25 3gxh h ALA 167 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gxh h ALA 167 Cb 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gxh h ALA 167 CO -0.02 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 180.99 3gxh h LEU 168 N 1.09 -0.27 -0.84 0.00 5.85 -0.99 -0.58 115.31 119.58 3gxh h LEU 168 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3gxh h LEU 168 Cb 0.24 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3gxh h LEU 168 CO -0.02 -0.18 0.53 -0.07 -0.34 0.00 0.00 178.44 178.36 3gxh h LEU 169 N -0.28 0.99 -0.31 2.25 4.07 -0.96 -0.69 115.31 120.37 3gxh h LEU 169 Ca -0.02 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 3gxh h LEU 169 Cb 0.23 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3gxh h LEU 169 CO 0.02 0.74 0.01 0.74 -1.08 0.00 0.00 178.44 178.87 3gxh h THR 170 N 1.14 1.25 -0.42 0.22 2.02 -1.01 -0.95 112.91 115.16 3gxh h THR 170 Ca 0.30 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 3gxh h THR 170 Cb -0.08 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3gxh h THR 170 CO -0.06 0.30 0.10 -0.08 0.37 0.00 0.00 175.52 176.14 3gxh h GLU 171 N 0.34 0.68 -0.10 6.66 4.81 -0.80 -1.41 114.58 124.76 3gxh h GLU 171 Ca 0.09 -0.17 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 3gxh h GLU 171 Cb 0.41 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.71 3gxh h GLU 171 CO 0.01 0.69 -0.82 0.28 -0.73 0.00 0.00 179.01 178.44 3gxh h VAL 172 N 0.55 1.31 -0.12 0.32 2.07 -1.08 -1.47 116.25 117.83 3gxh h VAL 172 Ca 0.13 -2.10 0.02 0.00 0.82 0.00 0.00 66.70 65.57 3gxh h VAL 172 Cb 0.32 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3gxh h VAL 172 CO 0.00 0.65 0.02 0.28 0.02 0.00 0.00 177.57 178.54 3gxh h SER 173 N 0.43 -0.00 -0.80 0.57 0.02 -1.05 -2.30 113.55 110.43 3gxh h SER 173 Ca -0.06 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3gxh h SER 173 Cb 1.45 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 3gxh h SER 173 CO 0.16 0.02 0.41 0.00 -1.14 0.00 0.00 176.83 176.28 3gxh h ALA 174 N 1.09 1.21 -0.65 3.77 0.00 -1.20 0.62 119.26 124.09 3gxh h ALA 174 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gxh h ALA 174 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3gxh h ALA 174 CO -0.08 0.62 0.40 -0.22 0.00 0.00 0.00 179.25 179.97 3gxh h LYS 175 N 1.14 0.88 -0.58 0.00 3.64 -0.92 -3.11 116.57 117.61 3gxh h LYS 175 Ca 0.28 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 3gxh h LYS 175 Cb 0.07 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 31.59 3gxh h LYS 175 CO -0.04 0.61 0.17 0.66 -2.27 0.00 0.00 179.45 178.58 3gxh n TYR 176 N -4.41 1.90 -0.23 1.91 4.01 -0.90 -4.92 117.16 114.52 3gxh n TYR 176 Ca 0.07 -1.29 0.00 0.00 -0.16 0.00 0.00 57.90 56.52 3gxh n TYR 176 Cb 0.06 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 3gxh n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gxh n GLY 177 N -0.55 0.73 0.00 2.72 0.00 -1.16 -4.81 105.19 102.13 3gxh n GLY 177 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3gxh n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74