#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gi4 s LYS 2 N 0.00 4.09 -0.08 0.03 2.20 -1.26 -4.90 119.74 119.82 2gi4 s LYS 2 Ca 0.00 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.88 2gi4 s LYS 2 Cb 0.00 -3.62 -0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2gi4 s LYS 2 CO 0.00 -0.24 -0.23 0.15 -0.36 0.00 0.00 175.35 174.68 2gi4 s LYS 3 N 1.93 2.69 -0.26 4.03 1.02 -1.26 -2.02 119.74 125.88 2gi4 s LYS 3 Ca 0.19 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 2gi4 s LYS 3 Cb -0.15 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2gi4 s LYS 3 CO 0.09 0.23 -0.05 0.42 -0.92 0.00 0.00 175.35 175.12 2gi4 s ILE 4 N 0.20 2.89 -0.41 2.17 -1.09 -0.60 -0.69 121.20 123.67 2gi4 s ILE 4 Ca -0.13 -1.09 -0.15 0.00 -2.23 0.00 0.00 60.65 57.05 2gi4 s ILE 4 Cb -0.16 -2.50 0.02 0.00 -1.58 0.00 0.00 42.46 38.23 2gi4 s ILE 4 CO 0.06 0.14 0.33 -0.76 -1.23 0.00 0.00 174.94 173.49 2gi4 s LEU 5 N 1.31 4.99 -0.10 2.97 1.43 -0.28 -1.65 118.68 127.36 2gi4 s LEU 5 Ca -0.01 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.16 2gi4 s LEU 5 Cb -0.17 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2gi4 s LEU 5 CO -0.04 -0.46 0.34 -0.36 0.23 0.00 0.00 176.35 176.06 2gi4 s PHE 6 N 1.80 3.57 -0.16 0.29 0.08 0.41 -1.62 117.98 122.36 2gi4 s PHE 6 Ca 0.07 0.76 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 2gi4 s PHE 6 Cb -0.18 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2gi4 s PHE 6 CO 0.11 0.42 -0.13 0.42 -0.10 0.00 0.00 175.22 175.94 2gi4 s ILE 7 N -0.20 2.89 -0.10 0.64 1.01 -0.02 -1.54 121.20 123.88 2gi4 s ILE 7 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2gi4 s ILE 7 Cb -0.14 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.11 2gi4 s ILE 7 CO 0.08 0.50 -0.09 0.00 0.00 0.00 0.00 174.94 175.43 2gi4 h LEU 9 N 7.78 -1.53 0.10 0.00 5.85 -1.89 -2.90 115.31 122.72 2gi4 h LEU 9 Ca -0.31 0.20 -0.29 0.00 0.84 0.00 0.00 57.88 58.33 2gi4 h LEU 9 Cb 1.15 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2gi4 h LEU 9 CO 0.43 -0.30 -1.42 1.23 -0.34 0.00 0.00 178.44 178.04 2gi4 h GLY 10 N -0.27 0.23 -0.96 3.75 0.00 -1.96 -3.39 103.07 100.47 2gi4 h GLY 10 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 47.33 46.58 2gi4 h GLY 10 CO -0.52 0.52 -0.20 -2.01 0.00 0.00 0.00 176.54 174.33 2gi4 n ASN 11 N -3.42 -3.95 -0.60 0.19 5.15 -1.09 -3.80 115.26 107.74 2gi4 n ASN 11 Ca -0.13 0.27 0.06 0.00 -0.60 0.00 0.00 54.58 54.18 2gi4 n ASN 11 Cb 1.03 -3.31 0.14 0.00 -0.53 0.00 0.00 39.78 37.10 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2gi4 n ILE 12 N -1.82 1.51 0.00 -1.44 -6.64 -1.26 -3.57 119.36 106.14 2gi4 n ILE 12 Ca -0.11 -2.25 0.00 0.00 -1.77 0.00 0.00 62.75 58.62 2gi4 n ILE 12 Cb 0.45 0.05 0.00 0.00 -1.44 0.00 0.00 39.64 38.70 2gi4 n ILE 12 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2gi4 h ARG 14 N 0.00 0.00 0.08 0.00 1.12 -1.97 -3.18 114.38 110.42 2gi4 h ARG 14 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2gi4 h ARG 14 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2gi4 h ARG 14 CO 0.00 0.35 -0.04 1.03 -3.11 0.00 0.00 179.97 178.20 2gi4 h SER 15 N 0.00 -0.09 -0.05 -3.80 0.87 -1.93 -2.60 113.55 105.94 2gi4 h SER 15 Ca -0.00 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2gi4 h SER 15 Cb 0.96 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2gi4 h SER 15 CO 0.05 0.28 -0.01 -0.65 -0.53 0.00 0.00 176.83 175.97 2gi4 h PRO 16 N -0.47 0.10 0.52 2.24 0.11 -1.77 -0.49 132.00 132.23 2gi4 h PRO 16 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2gi4 h PRO 16 Cb 0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2gi4 h PRO 16 CO 0.02 0.40 -0.41 1.98 -0.21 0.00 0.00 178.00 179.78 2gi4 h MET 17 N -0.22 -0.88 0.00 1.05 1.85 -1.67 -1.70 114.93 113.36 2gi4 h MET 17 Ca 0.01 0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 2gi4 h MET 17 Cb 0.36 0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.59 2gi4 h MET 17 CO 0.00 -0.59 -0.03 0.00 -0.40 0.00 0.00 176.91 175.90 2gi4 h ALA 18 N -0.61 1.73 -0.71 0.39 0.00 -1.54 -1.67 119.26 116.85 2gi4 h ALA 18 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gi4 h ALA 18 Cb 0.77 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2gi4 h ALA 18 CO 0.00 0.04 0.46 1.49 0.00 0.00 0.00 179.25 181.24 2gi4 h GLU 19 N 0.00 0.94 -0.20 0.00 4.57 -0.19 0.14 114.58 119.85 2gi4 h GLU 19 Ca -0.00 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 2gi4 h GLU 19 Cb 0.06 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2gi4 h GLU 19 CO 0.00 0.63 -0.69 0.35 -1.18 0.00 0.00 179.01 178.13 2gi4 h PHE 20 N 0.97 1.03 0.56 0.92 3.57 -0.73 -2.24 116.94 121.01 2gi4 h PHE 20 Ca 0.26 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 2gi4 h PHE 20 Cb -0.10 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.48 2gi4 h PHE 20 CO -0.02 1.24 -0.27 0.82 -2.23 0.00 0.00 178.31 177.85 2gi4 h ILE 21 N 0.56 0.44 0.02 1.41 1.08 -1.04 -1.74 117.51 118.24 2gi4 h ILE 21 Ca -0.03 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2gi4 h ILE 21 Cb 1.30 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2gi4 h ILE 21 CO 0.14 0.02 -0.10 0.24 -0.69 0.00 0.00 178.15 177.76 2gi4 h MET 22 N -0.81 -0.18 -0.85 2.37 2.86 -1.07 -1.97 114.93 115.28 2gi4 h MET 22 Ca -0.08 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.78 2gi4 h MET 22 Cb 0.60 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 2gi4 h MET 22 CO 0.13 -0.12 0.58 -0.22 1.06 0.00 0.00 176.91 178.33 2gi4 h LYS 23 N -0.19 0.29 0.39 1.72 3.64 -1.38 0.12 116.57 121.17 2gi4 h LYS 23 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2gi4 h LYS 23 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2gi4 h LYS 23 CO -0.09 0.19 -0.19 0.22 -2.27 0.00 0.00 179.45 177.32 2gi4 h ASP 24 N 0.30 -0.45 -0.12 4.20 1.82 -0.58 -3.31 116.42 118.27 2gi4 h ASP 24 Ca 0.43 -0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.92 2gi4 h ASP 24 Cb 1.22 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.33 2gi4 h ASP 24 CO -0.12 -0.01 -0.18 -0.07 -1.61 0.00 0.00 179.24 177.24 2gi4 h LEU 25 N -1.07 0.52 -1.87 2.28 3.38 -1.05 -3.02 115.31 114.47 2gi4 h LEU 25 Ca -0.05 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2gi4 h LEU 25 Cb 0.49 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2gi4 h LEU 25 CO 0.09 0.72 0.30 -0.37 0.09 0.00 0.00 178.44 179.27 2gi4 h VAL 26 N 0.48 0.85 -0.57 1.22 -1.51 -0.91 -0.95 116.25 114.86 2gi4 h VAL 26 Ca 0.08 -0.05 0.16 0.00 -1.23 0.00 0.00 66.70 65.66 2gi4 h VAL 26 Cb 0.59 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 2gi4 h VAL 26 CO 0.04 0.03 0.54 0.50 -1.23 0.00 0.00 177.57 177.45 2gi4 h LYS 27 N 0.14 0.00 0.20 5.19 3.64 -1.61 1.11 116.57 125.24 2gi4 h LYS 27 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2gi4 h LYS 27 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2gi4 h LYS 27 CO -0.03 0.00 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.84 2gi4 h LYS 28 N 0.00 -0.26 0.00 1.90 3.11 -1.38 -3.36 116.57 116.59 2gi4 h LYS 28 Ca 0.27 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 58.05 2gi4 h LYS 28 Cb 1.35 0.06 -0.16 0.00 -1.00 0.00 0.00 32.23 32.47 2gi4 h LYS 28 CO -0.00 0.08 -0.66 0.00 -2.81 0.00 0.00 179.45 176.05 2gi4 n ALA 29 N -2.41 2.70 0.08 5.00 0.00 -0.77 -4.73 120.51 120.38 2gi4 n ALA 29 Ca -0.09 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.88 2gi4 n ALA 29 Cb 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2gi4 n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gi4 n ASN 30 N -0.31 0.22 0.29 0.00 4.13 0.38 -4.72 115.26 115.25 2gi4 n ASN 30 Ca 0.10 0.26 0.15 0.00 1.68 0.00 0.00 54.58 56.78 2gi4 n ASN 30 Cb 0.88 0.10 0.90 0.00 -1.54 0.00 0.00 39.78 40.12 2gi4 n ASN 30 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2gi4 h LEU 31 N 0.00 0.00 -0.12 3.41 5.85 -1.59 0.41 115.31 123.27 2gi4 h LEU 31 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2gi4 h LEU 31 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2gi4 h LEU 31 CO 0.00 0.02 0.02 -0.33 -0.34 0.00 0.00 178.44 177.81 2gi4 h GLU 32 N 0.00 0.20 -0.41 1.25 5.08 -1.81 -2.52 114.58 116.36 2gi4 h GLU 32 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2gi4 h GLU 32 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2gi4 h GLU 32 CO 0.00 0.40 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 2gi4 n LYS 33 N -4.83 1.94 -2.75 2.33 5.02 -0.72 -4.93 118.16 114.22 2gi4 n LYS 33 Ca -0.06 -1.25 -0.01 0.00 -2.02 0.00 0.00 58.31 54.98 2gi4 n LYS 33 Cb 0.17 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2gi4 n LYS 33 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gi4 n GLU 34 N 0.46 -1.18 -3.99 1.97 2.13 -0.43 -4.87 120.64 114.73 2gi4 n GLU 34 Ca 0.12 1.37 -0.23 0.00 0.66 0.00 0.00 57.16 59.08 2gi4 n GLU 34 Cb 0.35 -4.96 -0.03 0.00 0.27 0.00 0.00 31.44 27.07 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2gi4 s PHE 35 N -2.92 3.40 0.00 4.31 0.40 0.00 -4.60 117.98 118.58 2gi4 s PHE 35 Ca 0.02 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 2gi4 s PHE 35 Cb -0.01 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 2gi4 s PHE 35 CO 0.61 0.48 -0.14 -0.06 0.70 0.00 0.00 175.22 176.81 2gi4 s PHE 36 N -1.91 1.26 0.00 0.36 0.08 -0.85 -4.73 117.98 112.19 2gi4 s PHE 36 Ca 0.34 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.14 2gi4 s PHE 36 Cb -0.10 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 2gi4 s PHE 36 CO 0.28 -0.00 -0.08 0.96 -0.10 0.00 0.00 175.22 176.28 2gi4 s ILE 37 N -0.47 0.62 -0.05 0.64 -4.36 -1.26 -1.56 121.20 114.76 2gi4 s ILE 37 Ca 0.04 -0.45 -0.03 0.00 -0.26 0.00 0.00 60.65 59.96 2gi4 s ILE 37 Cb -0.06 -0.54 0.03 0.00 1.25 0.00 0.00 42.46 43.13 2gi4 s ILE 37 CO -0.00 0.09 0.11 0.54 0.24 0.00 0.00 174.94 175.92 2gi4 s ASN 38 N -0.40 -0.08 -0.15 4.36 4.22 -0.66 -4.97 114.94 117.26 2gi4 s ASN 38 Ca 0.01 0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.96 2gi4 s ASN 38 Cb -0.04 0.15 -0.00 0.00 1.28 0.00 0.00 41.25 42.64 2gi4 s ASN 38 CO -0.00 -0.11 -0.15 -0.55 -2.04 0.00 0.00 177.10 174.25 2gi4 s SER 39 N 0.79 3.66 0.08 3.54 0.15 -1.26 -0.44 113.70 120.22 2gi4 s SER 39 Ca -0.06 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 2gi4 s SER 39 Cb -0.08 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 2gi4 s SER 39 CO -0.03 0.09 0.04 0.00 1.20 0.00 0.00 173.24 174.53 2gi4 s ALA 40 N 0.80 0.48 0.79 5.45 0.00 -0.59 -4.72 121.76 123.97 2gi4 s ALA 40 Ca -0.05 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2gi4 s ALA 40 Cb -0.15 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.53 2gi4 s ALA 40 CO 0.00 -0.44 0.47 0.41 0.00 0.00 0.00 175.76 176.20 2gi4 n GLY 41 N 0.01 -0.41 0.10 0.00 0.00 -1.23 -1.68 105.19 101.98 2gi4 n GLY 41 Ca -0.11 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 2gi4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gi4 h THR 42 N -0.94 1.61 0.00 2.61 1.03 -1.75 -1.35 112.91 114.11 2gi4 h THR 42 Ca -0.15 -2.29 0.00 0.00 -0.01 0.00 0.00 66.41 63.96 2gi4 h THR 42 Cb 0.48 3.11 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 2gi4 h THR 42 CO 0.13 0.63 0.00 -1.20 -0.01 0.00 0.00 175.52 175.06 2gi4 n SER 43 N -4.39 1.31 -1.96 0.00 7.64 -1.26 -4.59 113.62 110.37 2gi4 n SER 43 Ca -0.11 -1.51 -0.13 0.00 1.01 0.00 0.00 58.87 58.13 2gi4 n SER 43 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 2gi4 n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gi4 n GLY 44 N -0.25 0.27 0.21 0.23 0.00 -1.26 -4.83 105.19 99.56 2gi4 n GLY 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2gi4 n GLY 44 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gi4 h GLU 45 N 0.00 0.52 0.00 1.61 5.08 -1.94 -3.39 114.58 116.45 2gi4 h GLU 45 Ca -0.29 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2gi4 h GLU 45 Cb 1.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2gi4 h GLU 45 CO 0.37 0.34 0.00 -2.39 -1.00 0.00 0.00 179.01 176.34 2gi4 n HIS 46 N -4.86 0.00 -1.46 4.33 1.44 -1.26 -5.07 115.22 108.34 2gi4 n HIS 46 Ca 0.04 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.31 2gi4 n HIS 46 Cb 0.12 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.10 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2gi4 n ASP 47 N 0.00 0.73 0.00 4.39 8.00 -1.25 -3.14 116.55 125.29 2gi4 n ASP 47 Ca 0.00 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2gi4 n ASP 47 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2gi4 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gi4 n GLY 48 N 6.60 0.26 0.00 0.44 0.00 -1.23 -1.53 105.19 109.73 2gi4 n GLY 48 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2gi4 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gi4 n GLU 49 N 0.00 0.00 -0.23 1.61 1.02 -1.19 -1.36 120.64 120.49 2gi4 n GLU 49 Ca 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2gi4 n GLU 49 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2gi4 n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gi4 n GLY 50 N -0.93 0.76 3.52 0.62 0.00 -1.26 -4.27 105.19 103.64 2gi4 n GLY 50 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.32 2gi4 n GLY 50 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2gi4 s MET 51 N -2.16 0.39 -0.01 1.61 0.23 0.12 -4.88 119.30 114.60 2gi4 s MET 51 Ca 0.00 0.87 -0.16 0.00 -1.03 0.00 0.00 55.69 55.37 2gi4 s MET 51 Cb 0.00 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2gi4 s MET 51 CO 0.00 -0.12 0.34 -1.58 -2.03 0.00 0.00 175.02 171.63 2gi4 s HIS 52 N 2.22 -0.21 0.13 3.16 2.46 -1.18 -4.70 115.29 117.16 2gi4 s HIS 52 Ca -0.05 0.31 -0.30 0.00 0.47 0.00 0.00 55.06 55.49 2gi4 s HIS 52 Cb -0.06 0.12 -0.07 0.00 -0.13 0.00 0.00 32.58 32.44 2gi4 s HIS 52 CO -0.17 -0.41 1.57 1.88 -2.47 0.00 0.00 174.74 175.14 2gi4 h TYR 53 N 3.76 -1.32 0.30 3.88 0.05 -1.98 0.23 116.97 121.89 2gi4 h TYR 53 Ca -0.30 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 2gi4 h TYR 53 Cb 1.18 0.60 0.00 0.00 1.01 0.00 0.00 36.73 39.51 2gi4 h TYR 53 CO 0.51 -0.50 -0.14 0.78 -1.05 0.00 0.00 178.16 177.76 2gi4 h GLY 54 N -0.51 -0.41 0.75 3.88 0.00 -1.87 -1.88 103.07 103.02 2gi4 h GLY 54 Ca 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2gi4 h GLY 54 CO -0.42 -0.15 -0.04 -0.84 0.00 0.00 0.00 176.54 175.09 2gi4 h THR 55 N -0.52 1.07 -0.18 4.70 2.02 -1.81 -1.81 112.91 116.39 2gi4 h THR 55 Ca -0.04 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.61 2gi4 h THR 55 Cb 0.38 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2gi4 h THR 55 CO 0.07 0.14 0.01 0.11 0.37 0.00 0.00 175.52 176.22 2gi4 h LYS 56 N -0.36 0.07 -0.54 6.66 1.57 -0.62 -0.30 116.57 123.05 2gi4 h LYS 56 Ca -0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2gi4 h LYS 56 Cb 0.31 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2gi4 h LYS 56 CO 0.02 0.05 0.26 -0.97 -0.57 0.00 0.00 179.45 178.24 2gi4 h ASN 57 N 0.07 0.36 -0.50 0.86 -1.24 -1.37 0.33 115.58 114.10 2gi4 h ASN 57 Ca 0.08 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.18 2gi4 h ASN 57 Cb 0.09 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 2gi4 h ASN 57 CO -0.13 0.24 0.23 0.50 -1.29 0.00 0.00 177.43 176.98 2gi4 h LYS 58 N 0.50 0.43 -0.28 6.67 3.11 -0.78 -1.50 116.57 124.72 2gi4 h LYS 58 Ca 0.25 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.96 2gi4 h LYS 58 Cb 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2gi4 h LYS 58 CO -0.18 0.28 -0.26 -0.07 -2.81 0.00 0.00 179.45 176.40 2gi4 h LEU 59 N 0.44 0.56 -1.63 5.20 3.38 -0.16 -2.80 115.31 120.30 2gi4 h LEU 59 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2gi4 h LEU 59 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2gi4 h LEU 59 CO -0.19 0.81 0.06 0.00 0.09 0.00 0.00 178.44 179.21 2gi4 h ALA 60 N 1.23 1.71 -0.92 1.53 0.00 0.60 0.52 119.26 123.93 2gi4 h ALA 60 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2gi4 h ALA 60 Cb 0.71 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2gi4 h ALA 60 CO 0.05 0.23 0.54 1.96 0.00 0.00 0.00 179.25 182.04 2gi4 h GLN 61 N 0.30 0.81 0.00 0.00 4.20 -1.07 -3.42 115.11 115.93 2gi4 h GLN 61 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2gi4 h GLN 61 Cb 0.11 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2gi4 h GLN 61 CO -0.01 0.54 0.00 1.47 -0.67 0.00 0.00 178.83 180.16 2gi4 n LEU 62 N -4.72 0.00 0.00 1.46 -0.00 -0.95 -5.14 117.00 107.65 2gi4 n LEU 62 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2gi4 n LEU 62 Cb 0.37 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2gi4 n LEU 62 CO 0.25 -0.11 0.00 0.59 -0.00 0.00 0.00 177.39 178.12 2gi4 n ASN 63 N -1.72 -0.63 -4.85 1.45 3.02 0.18 -5.01 115.26 107.70 2gi4 n ASN 63 Ca 0.00 -0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.05 2gi4 n ASN 63 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2gi4 n ASN 63 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gi4 s ILE 64 N -0.44 5.44 0.33 2.41 1.01 -1.23 -4.39 121.20 124.33 2gi4 s ILE 64 Ca 0.00 0.28 0.12 0.00 0.00 0.00 0.00 60.65 61.05 2gi4 s ILE 64 Cb 0.00 -3.45 0.33 0.00 0.01 0.00 0.00 42.46 39.35 2gi4 s ILE 64 CO 0.00 0.58 1.64 -0.33 0.00 0.00 0.00 174.94 176.84 2gi4 h GLU 65 N 5.24 0.23 0.00 2.79 3.07 -1.88 -3.43 114.58 120.59 2gi4 h GLU 65 Ca -0.52 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2gi4 h GLU 65 Cb 1.22 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2gi4 h GLU 65 CO 0.61 0.15 0.00 -2.39 -1.40 0.00 0.00 179.01 175.98 2gi4 n HIS 66 N -5.15 0.00 -2.41 4.33 1.44 -1.26 -4.72 115.22 107.45 2gi4 n HIS 66 Ca 0.30 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.99 2gi4 n HIS 66 Cb 0.95 0.00 0.05 0.00 0.12 0.00 0.00 29.99 31.11 2gi4 n HIS 66 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2gi4 n LYS 67 N -0.33 0.55 -2.21 -1.40 0.00 -1.26 -4.98 118.16 108.52 2gi4 n LYS 67 Ca 0.00 -0.59 0.01 0.00 -0.00 0.00 0.00 58.31 57.73 2gi4 n LYS 67 Cb 0.00 0.28 0.04 0.00 -0.00 0.00 0.00 35.03 35.34 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2gi4 n ASN 68 N -0.63 0.97 -4.55 -5.58 4.13 -1.26 -4.97 115.26 103.36 2gi4 n ASN 68 Ca -0.10 -2.03 -0.34 0.00 1.68 0.00 0.00 54.58 53.79 2gi4 n ASN 68 Cb 0.65 -0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.58 2gi4 n ASN 68 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2gi4 s PHE 69 N -1.85 1.59 -0.27 3.10 2.19 -1.26 -4.84 117.98 116.64 2gi4 s PHE 69 Ca 0.27 0.91 -0.00 0.00 0.33 0.00 0.00 56.93 58.44 2gi4 s PHE 69 Cb 0.34 -3.98 0.15 0.00 -1.31 0.00 0.00 43.02 38.22 2gi4 s PHE 69 CO -0.09 -2.16 0.40 0.95 1.83 0.00 0.00 175.22 176.14 2gi4 s THR 70 N 10.02 -0.62 -0.40 0.12 -4.23 -0.47 -5.02 115.64 115.05 2gi4 s THR 70 Ca 0.73 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 2gi4 s THR 70 Cb -0.12 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 2gi4 s THR 70 CO 0.16 -0.21 2.19 -0.94 -0.54 0.00 0.00 174.62 175.27 2gi4 s SER 71 N 2.55 5.07 0.30 3.99 1.04 -1.25 -4.33 113.70 121.06 2gi4 s SER 71 Ca 0.11 1.27 0.10 0.00 0.48 0.00 0.00 55.95 57.91 2gi4 s SER 71 Cb -0.14 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 2gi4 s SER 71 CO -0.24 -2.36 -0.03 -0.54 0.98 0.00 0.00 173.24 171.05 2gi4 s LYS 72 N 7.14 2.12 -0.34 4.02 -0.14 -0.59 -4.95 119.74 127.01 2gi4 s LYS 72 Ca 0.92 -1.59 0.03 0.00 -1.36 0.00 0.00 55.97 53.97 2gi4 s LYS 72 Cb -0.22 -2.02 0.16 0.00 -1.68 0.00 0.00 37.83 34.06 2gi4 s LYS 72 CO 0.29 0.27 0.41 -1.59 -0.76 0.00 0.00 175.35 173.97 2gi4 s LYS 73 N -3.67 0.55 -0.02 1.68 -2.85 -1.26 -3.57 119.74 110.60 2gi4 s LYS 73 Ca 0.33 -0.38 -0.33 0.00 -1.00 0.00 0.00 55.97 54.58 2gi4 s LYS 73 Cb -0.04 -0.49 -0.12 0.00 -2.06 0.00 0.00 37.83 35.13 2gi4 s LYS 73 CO 0.19 -1.12 1.84 -0.11 0.10 0.00 0.00 175.35 176.25 2gi4 n LEU 74 N 4.76 3.53 0.00 2.77 7.94 -0.51 -4.85 117.00 130.63 2gi4 n LEU 74 Ca 0.06 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 2gi4 n LEU 74 Cb 0.48 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.02 2gi4 n LEU 74 CO 0.03 -0.04 0.00 0.35 -1.11 0.00 0.00 177.39 176.62 2gi4 n THR 75 N 4.88 0.00 -0.02 1.96 -2.24 -1.26 -4.72 114.28 112.89 2gi4 n THR 75 Ca 0.21 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2gi4 n THR 75 Cb 0.31 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 2gi4 n THR 75 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2gi4 h GLN 76 N 0.00 0.04 -0.73 -0.78 1.08 -1.97 -1.46 115.11 111.29 2gi4 h GLN 76 Ca 0.00 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2gi4 h GLN 76 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 2gi4 h GLN 76 CO 0.00 0.50 0.48 1.57 -0.95 0.00 0.00 178.83 180.43 2gi4 h LYS 77 N -0.41 0.88 -0.13 1.46 2.10 -1.99 -0.61 116.57 117.88 2gi4 h LYS 77 Ca 0.00 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.54 2gi4 h LYS 77 Cb 0.49 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2gi4 h LYS 77 CO 0.00 0.58 -0.17 -0.07 -2.00 0.00 0.00 179.45 177.80 2gi4 h LEU 78 N 0.91 0.38 -1.43 7.07 3.38 -1.93 -3.13 115.31 120.55 2gi4 h LEU 78 Ca 0.29 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2gi4 h LEU 78 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2gi4 h LEU 78 CO -0.08 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.50 2gi4 h ASP 80 N 0.63 0.00 0.00 0.00 3.58 -1.07 -3.06 116.42 116.50 2gi4 h ASP 80 Ca 0.16 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2gi4 h ASP 80 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2gi4 h ASP 80 CO -0.03 0.00 -0.20 -0.33 -2.88 0.00 0.00 179.24 175.81 2gi4 h GLU 81 N 0.00 0.00 -6.97 0.28 5.08 -1.13 -3.46 114.58 108.38 2gi4 h GLU 81 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2gi4 h GLU 81 Cb 0.12 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.47 2gi4 h GLU 81 CO 0.00 0.14 0.67 -1.12 -1.00 0.00 0.00 179.01 177.70 2gi4 s SER 82 N -5.72 6.07 0.12 1.42 0.01 -1.14 -4.79 113.70 109.67 2gi4 s SER 82 Ca -0.07 2.83 0.14 0.00 1.31 0.00 0.00 55.95 60.16 2gi4 s SER 82 Cb 0.01 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 2gi4 s SER 82 CO 0.15 -1.04 1.05 -0.78 0.41 0.00 0.00 173.24 173.03 2gi4 h ASP 83 N 2.50 0.00 -4.34 2.44 3.58 -1.18 -3.46 116.42 115.95 2gi4 h ASP 83 Ca -0.50 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.37 2gi4 h ASP 83 Cb 1.26 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 42.03 2gi4 h ASP 83 CO 0.62 0.67 -0.84 -0.36 -2.88 0.00 0.00 179.24 176.45 2gi4 s PHE 84 N -2.86 1.76 -0.02 0.28 0.08 -0.93 -5.02 117.98 111.27 2gi4 s PHE 84 Ca -0.01 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.76 2gi4 s PHE 84 Cb 0.08 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2gi4 s PHE 84 CO 0.80 0.02 -0.22 -1.17 -0.10 0.00 0.00 175.22 174.55 2gi4 s LEU 85 N -0.77 2.04 0.00 -0.37 2.96 -0.44 -1.12 118.68 120.98 2gi4 s LEU 85 Ca 0.07 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2gi4 s LEU 85 Cb -0.08 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2gi4 s LEU 85 CO 0.00 0.27 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.59 2gi4 s ILE 86 N -0.51 0.64 -0.05 6.68 1.09 -0.64 -0.69 121.20 127.71 2gi4 s ILE 86 Ca 0.08 -0.48 -0.08 0.00 -1.10 0.00 0.00 60.65 59.07 2gi4 s ILE 86 Cb -0.08 -0.56 -0.03 0.00 -1.06 0.00 0.00 42.46 40.73 2gi4 s ILE 86 CO -0.01 0.08 -0.15 0.35 -0.10 0.00 0.00 174.94 175.11 2gi4 n THR 87 N 2.62 0.95 0.00 2.92 -2.24 -0.42 -0.85 114.28 117.26 2gi4 n THR 87 Ca -0.15 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2gi4 n THR 87 Cb 0.57 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2gi4 n THR 87 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2gi4 n MET 88 N -3.59 0.00 -2.81 -0.78 2.81 -1.24 -4.49 117.12 107.02 2gi4 n MET 88 Ca -0.06 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 2gi4 n MET 88 Cb 0.22 -0.18 -0.05 0.00 -0.71 0.00 0.00 33.22 32.50 2gi4 n MET 88 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2gi4 s ASP 89 N 0.00 7.43 0.15 7.83 1.11 -1.26 -4.49 116.67 127.43 2gi4 s ASP 89 Ca 0.00 1.70 -0.14 0.00 0.18 0.00 0.00 52.55 54.29 2gi4 s ASP 89 Cb 0.00 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.46 2gi4 s ASP 89 CO 0.00 -0.02 1.69 -1.13 1.18 0.00 0.00 175.17 176.89 2gi4 h ASN 90 N 5.46 0.69 0.21 0.27 -0.73 -1.91 -3.06 115.58 116.51 2gi4 h ASN 90 Ca -0.43 -0.19 -0.31 0.00 1.87 0.00 0.00 56.30 57.24 2gi4 h ASN 90 Cb 1.21 -0.18 0.03 0.00 0.27 0.00 0.00 38.32 39.64 2gi4 h ASN 90 CO 0.71 0.69 -1.42 -1.28 -0.37 0.00 0.00 177.43 175.76 2gi4 h SER 91 N 0.64 0.68 -0.26 1.15 0.87 -1.95 -3.32 113.55 111.38 2gi4 h SER 91 Ca 0.16 -0.92 0.07 0.00 -1.23 0.00 0.00 61.79 59.87 2gi4 h SER 91 Cb 0.23 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2gi4 h SER 91 CO -0.01 1.67 0.33 -1.13 -0.53 0.00 0.00 176.83 177.16 2gi4 h ASN 92 N -0.00 0.00 0.73 6.23 -0.73 -1.97 -2.28 115.58 117.56 2gi4 h ASN 92 Ca -0.26 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 57.87 2gi4 h ASN 92 Cb 2.02 0.00 0.01 0.00 0.27 0.00 0.00 38.32 40.62 2gi4 h ASN 92 CO 0.21 0.00 -0.35 0.15 -0.37 0.00 0.00 177.43 177.07 2gi4 h PHE 93 N 0.00 -0.91 -0.71 0.67 3.57 -1.62 0.10 116.94 118.03 2gi4 h PHE 93 Ca 0.12 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2gi4 h PHE 93 Cb 0.79 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 2gi4 h PHE 93 CO 0.00 -0.57 0.43 0.87 -2.23 0.00 0.00 178.31 176.81 2gi4 h LYS 94 N -1.25 0.78 0.67 1.11 1.57 -1.62 -1.36 116.57 116.47 2gi4 h LYS 94 Ca -0.10 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2gi4 h LYS 94 Cb 0.76 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.90 2gi4 h LYS 94 CO 0.17 0.52 -0.32 -0.97 -0.57 0.00 0.00 179.45 178.27 2gi4 h ASN 95 N 0.81 -0.76 -0.11 0.86 -0.73 -1.46 -2.62 115.58 111.56 2gi4 h ASN 95 Ca 0.31 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.51 2gi4 h ASN 95 Cb 0.11 0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.90 2gi4 h ASN 95 CO -0.15 -0.50 0.16 1.62 -0.37 0.00 0.00 177.43 178.19 2gi4 h VAL 96 N -0.98 0.36 0.63 2.57 3.04 -0.82 0.33 116.25 121.39 2gi4 h VAL 96 Ca -0.09 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 2gi4 h VAL 96 Cb 0.71 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2gi4 h VAL 96 CO 0.15 0.00 -0.30 0.25 -1.01 0.00 0.00 177.57 176.66 2gi4 h LEU 97 N 0.00 -0.71 0.00 3.16 6.46 -0.87 -2.36 115.31 120.99 2gi4 h LEU 97 Ca 0.05 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2gi4 h LEU 97 Cb 0.38 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2gi4 h LEU 97 CO -0.00 -0.35 0.00 1.17 -0.62 0.00 0.00 178.44 178.64 2gi4 n LYS 98 N -5.36 0.07 0.13 1.25 4.81 -1.02 -3.09 118.16 114.95 2gi4 n LYS 98 Ca -0.12 0.02 0.07 0.00 -0.87 0.00 0.00 58.31 57.41 2gi4 n LYS 98 Cb 0.35 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.94 2gi4 n LYS 98 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2gi4 h ASN 99 N 0.00 0.00 -1.21 3.14 -0.73 -0.88 -3.47 115.58 112.43 2gi4 h ASN 99 Ca 0.00 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.53 2gi4 h ASN 99 Cb 0.45 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.90 2gi4 h ASN 99 CO 0.00 0.25 -0.55 -0.36 -0.37 0.00 0.00 177.43 176.39 2gi4 s PHE 100 N -3.13 2.13 0.00 0.67 0.40 -0.89 -5.04 117.98 112.12 2gi4 s PHE 100 Ca 0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 2gi4 s PHE 100 Cb 0.08 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.97 2gi4 s PHE 100 CO 0.75 0.28 0.00 0.25 0.70 0.00 0.00 175.22 177.20 2gi4 n THR 101 N -1.09 0.00 1.01 0.64 -2.24 -1.26 -4.84 114.28 106.50 2gi4 n THR 101 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2gi4 n THR 101 Cb 0.67 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2gi4 n THR 101 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2gi4 n ASN 102 N -2.83 0.03 -0.64 3.42 5.03 -1.26 -2.72 115.26 116.29 2gi4 n ASN 102 Ca 0.00 -1.04 0.09 0.00 0.87 0.00 0.00 54.58 54.50 2gi4 n ASN 102 Cb 0.00 -0.02 0.30 0.00 -1.02 0.00 0.00 39.78 39.04 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2gi4 n THR 103 N -0.46 0.33 0.77 3.41 5.66 -1.26 -3.90 114.28 118.83 2gi4 n THR 103 Ca 0.00 -0.42 0.09 0.00 -3.05 0.00 0.00 64.05 60.67 2gi4 n THR 103 Cb 0.01 0.36 0.44 0.00 -1.55 0.00 0.00 70.33 69.59 2gi4 n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gi4 n GLN 104 N 0.49 0.13 0.06 1.09 0.00 -1.10 -2.84 117.38 115.20 2gi4 n GLN 104 Ca 0.15 0.14 0.06 0.00 0.00 0.00 0.00 57.00 57.36 2gi4 n GLN 104 Cb 0.34 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.37 2gi4 n GLN 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2gi4 n ASN 105 N -1.40 0.23 -0.66 2.61 0.23 -1.25 -1.09 115.26 113.92 2gi4 n ASN 105 Ca 0.07 0.58 0.08 0.00 -0.53 0.00 0.00 54.58 54.78 2gi4 n ASN 105 Cb 0.19 -0.62 0.25 0.00 -2.08 0.00 0.00 39.78 37.52 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2gi4 n LYS 106 N -1.78 1.84 -3.47 -3.83 5.02 -1.13 -4.89 118.16 109.92 2gi4 n LYS 106 Ca 0.01 -1.29 -0.35 0.00 -2.02 0.00 0.00 58.31 54.66 2gi4 n LYS 106 Cb 0.09 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2gi4 s VAL 107 N -1.60 4.98 0.14 -0.18 0.11 -0.25 -1.33 120.40 122.27 2gi4 s VAL 107 Ca 0.28 0.61 0.11 0.00 -2.93 0.00 0.00 61.98 60.05 2gi4 s VAL 107 Cb 0.15 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 2gi4 s VAL 107 CO 0.21 0.23 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.19 2gi4 s LEU 108 N -2.02 2.34 0.05 2.54 1.02 0.13 -4.94 118.68 117.79 2gi4 s LEU 108 Ca 0.36 -0.76 0.09 0.00 0.02 0.00 0.00 54.13 53.84 2gi4 s LEU 108 Cb -0.14 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.86 2gi4 s LEU 108 CO 0.19 0.16 -0.24 -0.75 0.02 0.00 0.00 176.35 175.73 2gi4 s LYS 109 N -2.15 1.85 0.34 1.70 2.20 -1.26 -1.30 119.74 121.11 2gi4 s LYS 109 Ca 0.14 -1.09 0.26 0.00 -0.36 0.00 0.00 55.97 54.92 2gi4 s LYS 109 Cb -0.10 -2.03 0.73 0.00 -1.51 0.00 0.00 37.83 34.92 2gi4 s LYS 109 CO 0.06 0.52 1.73 0.97 -0.36 0.00 0.00 175.35 178.27 2gi4 h ILE 110 N 4.12 0.00 0.00 5.43 6.09 -1.94 -3.13 117.51 128.08 2gi4 h ILE 110 Ca -0.47 -0.64 -0.01 0.00 -1.37 0.00 0.00 64.86 62.37 2gi4 h ILE 110 Cb 1.15 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 40.05 2gi4 h ILE 110 CO 0.44 0.00 -0.04 0.71 -3.07 0.00 0.00 178.15 176.19 2gi4 h THR 111 N 0.00 0.73 0.00 2.19 1.35 -1.87 0.43 112.91 115.74 2gi4 h THR 111 Ca 0.00 -0.15 -0.14 0.00 -0.55 0.00 0.00 66.41 65.56 2gi4 h THR 111 Cb 0.76 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 2gi4 h THR 111 CO 0.00 0.04 -0.76 0.44 -0.25 0.00 0.00 175.52 174.99 2gi4 h ASP 112 N 0.00 0.00 0.00 5.36 5.19 -1.99 -3.39 116.42 121.59 2gi4 h ASP 112 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2gi4 h ASP 112 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2gi4 h ASP 112 CO 0.01 0.65 -0.22 0.49 -3.12 0.00 0.00 179.24 177.05 2gi4 n PHE 113 N -3.21 0.35 -1.60 4.55 3.72 -0.32 -4.93 117.46 116.02 2gi4 n PHE 113 Ca -0.00 0.15 -0.51 0.00 -0.05 0.00 0.00 57.45 57.04 2gi4 n PHE 113 Cb 0.81 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 2gi4 n PHE 113 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2gi4 n SER 114 N -3.20 1.87 0.00 4.37 3.41 0.14 -4.96 113.62 115.24 2gi4 n SER 114 Ca -0.03 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2gi4 n SER 114 Cb 0.11 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2gi4 n SER 114 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2gi4 n PRO 115 N 2.59 0.00 -0.43 4.33 -0.04 -1.26 -4.65 135.00 135.54 2gi4 n PRO 115 Ca 0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 2gi4 n PRO 115 Cb 0.21 -0.08 0.20 0.00 -0.04 0.00 0.00 33.50 33.80 2gi4 n PRO 115 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gi4 n SER 116 N -0.28 3.26 -0.03 3.54 7.64 -1.26 -4.22 113.62 122.27 2gi4 n SER 116 Ca 0.00 -2.42 -0.14 0.00 1.01 0.00 0.00 58.87 57.32 2gi4 n SER 116 Cb 0.00 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 2gi4 n SER 116 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2gi4 h LEU 117 N 2.04 0.09 -2.35 -3.43 5.85 -1.98 -3.47 115.31 112.08 2gi4 h LEU 117 Ca 0.00 -0.61 -0.50 0.00 0.84 0.00 0.00 57.88 57.61 2gi4 h LEU 117 Cb 1.17 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.03 2gi4 h LEU 117 CO 0.22 0.69 -0.79 0.59 -0.34 0.00 0.00 178.44 178.82 2gi4 n ASN 118 N -4.71 0.15 -4.93 1.25 4.13 -1.26 -4.90 115.26 104.99 2gi4 n ASN 118 Ca -0.09 -1.04 -0.25 0.00 1.68 0.00 0.00 54.58 54.89 2gi4 n ASN 118 Cb 0.35 -1.28 0.01 0.00 -1.54 0.00 0.00 39.78 37.32 2gi4 n ASN 118 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2gi4 s TYR 119 N -4.07 3.35 0.00 3.10 1.13 -1.26 -5.11 117.35 114.49 2gi4 s TYR 119 Ca 0.06 0.51 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 2gi4 s TYR 119 Cb -0.03 -2.39 0.00 0.00 -1.10 0.00 0.00 41.96 38.44 2gi4 s TYR 119 CO 0.80 -0.42 0.00 -3.47 -2.51 0.00 0.00 175.55 169.95 2gi4 n ASP 120 N -2.24 0.00 -4.43 -0.18 -0.08 -1.26 -4.90 116.55 103.47 2gi4 n ASP 120 Ca 0.01 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.86 2gi4 n ASP 120 Cb 0.57 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.99 2gi4 n ASP 120 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2gi4 s GLU 121 N 2.92 3.15 0.24 -0.67 2.02 -1.26 -4.54 118.70 120.56 2gi4 s GLU 121 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2gi4 s GLU 121 Cb 0.00 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.90 2gi4 s GLU 121 CO 0.00 -1.72 0.00 0.28 0.02 0.00 0.00 175.26 173.84 2gi4 n VAL 122 N 5.73 -3.25 0.00 2.63 0.31 -1.26 -4.89 118.33 117.60 2gi4 n VAL 122 Ca -0.02 1.25 0.00 0.00 -0.01 0.00 0.00 64.34 65.56 2gi4 n VAL 122 Cb 0.45 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2gi4 n VAL 122 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2gi4 n PRO 123 N -0.58 1.55 -0.97 5.55 -0.02 -1.26 -4.61 135.00 134.67 2gi4 n PRO 123 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2gi4 n PRO 123 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 2gi4 n PRO 123 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gi4 n ASP 124 N 0.00 -5.23 0.27 2.55 -0.08 -1.25 -3.69 116.55 109.12 2gi4 n ASP 124 Ca 0.00 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.47 2gi4 n ASP 124 Cb 0.00 -3.11 0.74 0.00 2.34 0.00 0.00 41.12 41.10 2gi4 n ASP 124 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2gi4 h PRO 125 N -0.51 0.00 0.00 -0.67 0.13 -1.78 0.10 132.00 129.27 2gi4 h PRO 125 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2gi4 h PRO 125 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2gi4 h PRO 125 CO 0.03 0.11 -0.14 2.35 -0.23 0.00 0.00 178.00 180.12 2gi4 h TRP 126 N 0.00 0.00 0.00 1.56 -0.00 -1.90 -1.84 115.95 113.77 2gi4 h TRP 126 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 2gi4 h TRP 126 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 2gi4 h TRP 126 CO 0.00 0.14 -1.41 0.66 -0.00 0.00 0.00 178.44 177.83 2gi4 n TYR 127 N -3.35 0.00 0.03 2.65 4.01 -0.96 -4.89 117.16 114.65 2gi4 n TYR 127 Ca -0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2gi4 n TYR 127 Cb 0.34 -0.26 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2gi4 n TYR 127 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2gi4 n SER 128 N -2.05 0.88 0.00 7.72 7.64 0.31 -4.88 113.62 123.25 2gi4 n SER 128 Ca -0.07 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2gi4 n SER 128 Cb 0.50 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2gi4 n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gi4 n GLY 129 N 3.31 -0.18 3.17 0.23 0.00 -0.69 -4.93 105.19 106.09 2gi4 n GLY 129 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2gi4 n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gi4 s ASN 130 N -0.52 -0.16 -0.01 1.61 2.47 -1.26 -4.74 114.94 112.33 2gi4 s ASN 130 Ca 0.00 0.17 -0.20 0.00 0.42 0.00 0.00 52.86 53.25 2gi4 s ASN 130 Cb 0.00 0.37 -0.27 0.00 -1.45 0.00 0.00 41.25 39.90 2gi4 s ASN 130 CO 0.00 -0.29 1.01 -0.26 -3.72 0.00 0.00 177.10 173.84 2gi4 h PHE 131 N 4.67 0.60 -0.02 0.43 -1.00 -1.89 -2.74 116.94 117.00 2gi4 h PHE 131 Ca -0.29 -0.38 0.01 0.00 2.81 0.00 0.00 57.97 60.12 2gi4 h PHE 131 Cb 1.19 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.70 2gi4 h PHE 131 CO 0.50 1.23 0.11 0.38 -1.61 0.00 0.00 178.31 178.92 2gi4 h ASP 132 N -0.20 0.00 -0.97 2.17 3.04 -1.97 -1.10 116.42 117.38 2gi4 h ASP 132 Ca -0.11 0.00 0.10 0.00 -3.24 0.00 0.00 57.03 53.78 2gi4 h ASP 132 Cb 1.49 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.70 2gi4 h ASP 132 CO 0.14 0.00 0.61 -0.08 -2.04 0.00 0.00 179.24 177.87 2gi4 h GLU 133 N 0.00 0.99 -0.32 4.15 4.57 -1.92 0.28 114.58 122.32 2gi4 h GLU 133 Ca 0.01 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2gi4 h GLU 133 Cb 0.22 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2gi4 h GLU 133 CO -0.00 0.66 0.21 1.15 -1.18 0.00 0.00 179.01 179.85 2gi4 h THR 134 N 1.02 1.02 0.73 0.32 2.02 -1.38 -0.92 112.91 115.72 2gi4 h THR 134 Ca 0.46 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.49 2gi4 h THR 134 Cb 0.37 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2gi4 h THR 134 CO -0.23 0.06 -0.35 0.22 0.37 0.00 0.00 175.52 175.59 2gi4 h TYR 135 N 0.33 -0.91 -0.23 3.16 3.20 -0.58 -0.87 116.97 121.07 2gi4 h TYR 135 Ca 0.13 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2gi4 h TYR 135 Cb 0.11 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2gi4 h TYR 135 CO -0.00 -0.55 0.10 -0.22 -1.64 0.00 0.00 178.16 175.85 2gi4 h LYS 136 N -1.20 0.21 0.66 1.82 1.63 -1.20 -0.91 116.57 117.58 2gi4 h LYS 136 Ca -0.10 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 2gi4 h LYS 136 Cb 0.77 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2gi4 h LYS 136 CO 0.16 0.14 -0.32 0.82 -3.45 0.00 0.00 179.45 176.81 2gi4 h ILE 137 N 0.22 0.00 -0.15 2.00 1.08 -1.23 -2.17 117.51 117.25 2gi4 h ILE 137 Ca 0.10 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2gi4 h ILE 137 Cb 0.05 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 2gi4 h ILE 137 CO -0.09 0.00 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.28 2gi4 h LEU 138 N -0.97 -0.12 -0.02 1.44 4.07 -1.20 0.16 115.31 118.67 2gi4 h LEU 138 Ca -0.09 0.04 0.02 0.00 0.08 0.00 0.00 57.88 57.94 2gi4 h LEU 138 Cb 0.68 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 2gi4 h LEU 138 CO 0.15 -0.04 -0.14 -1.28 -1.08 0.00 0.00 178.44 176.05 2gi4 h SER 139 N 0.01 -0.40 0.33 -0.43 0.87 -1.25 0.13 113.55 112.82 2gi4 h SER 139 Ca 0.07 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2gi4 h SER 139 Cb 0.10 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2gi4 h SER 139 CO -0.14 -0.19 -0.16 0.25 -0.53 0.00 0.00 176.83 176.06 2gi4 h LEU 140 N -0.22 -0.38 -0.26 2.23 5.85 -1.27 -2.03 115.31 119.23 2gi4 h LEU 140 Ca 0.05 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2gi4 h LEU 140 Cb 0.29 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2gi4 h LEU 140 CO -0.15 -0.07 -0.02 0.00 -0.34 0.00 0.00 178.44 177.87 2gi4 h ALA 141 N -0.16 0.21 -0.70 1.25 0.00 -0.64 -1.69 119.26 117.53 2gi4 h ALA 141 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2gi4 h ALA 141 Cb 0.49 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2gi4 h ALA 141 CO 0.08 -0.44 0.35 0.00 0.00 0.00 0.00 179.25 179.24 2gi4 h LYS 143 N 0.98 -0.84 -0.78 0.00 3.11 -0.77 0.14 116.57 118.40 2gi4 h LYS 143 Ca 0.24 0.06 0.08 0.00 -2.81 0.00 0.00 60.65 58.22 2gi4 h LYS 143 Cb 0.07 0.19 -0.07 0.00 -1.00 0.00 0.00 32.23 31.43 2gi4 h LYS 143 CO -0.03 -0.56 0.45 -0.91 -2.81 0.00 0.00 179.45 175.59 2gi4 h ASN 144 N -0.94 0.66 -0.77 4.20 4.21 -1.31 -0.55 115.58 121.09 2gi4 h ASN 144 Ca -0.09 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.46 2gi4 h ASN 144 Cb 0.67 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 2gi4 h ASN 144 CO 0.15 0.40 0.49 0.25 -1.29 0.00 0.00 177.43 177.43 2gi4 h LEU 145 N 0.79 0.91 -1.06 1.61 5.85 -0.89 -1.53 115.31 120.99 2gi4 h LEU 145 Ca 0.36 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 2gi4 h LEU 145 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2gi4 h LEU 145 CO -0.22 0.68 -0.07 0.25 -0.34 0.00 0.00 178.44 178.74 2gi4 h LEU 146 N 1.06 0.57 0.59 2.25 6.46 0.86 0.80 115.31 127.89 2gi4 h LEU 146 Ca 0.28 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2gi4 h LEU 146 Cb -0.08 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2gi4 h LEU 146 CO -0.06 0.68 -0.28 0.58 -0.62 0.00 0.00 178.44 178.74 2gi4 h VAL 147 N 0.55 0.37 -0.67 1.05 2.07 -0.45 0.62 116.25 119.78 2gi4 h VAL 147 Ca 0.11 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2gi4 h VAL 147 Cb 0.45 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2gi4 h VAL 147 CO 0.02 0.03 0.15 0.15 0.02 0.00 0.00 177.57 177.94 2gi4 h PHE 148 N -0.93 1.13 0.00 1.57 3.57 -1.40 -2.55 116.94 118.33 2gi4 h PHE 148 Ca -0.08 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.23 2gi4 h PHE 148 Cb 0.65 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2gi4 h PHE 148 CO -0.01 0.93 -0.25 1.25 -2.23 0.00 0.00 178.31 178.00 2gi4 h LEU 149 N 1.02 0.00 -3.72 0.59 5.85 -0.79 -3.03 115.31 115.23 2gi4 h LEU 149 Ca 0.21 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.71 2gi4 h LEU 149 Cb 0.38 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2gi4 h LEU 149 CO 0.00 0.25 0.00 -1.54 -0.34 0.00 0.00 178.44 176.81 2gi4 n SER 150 N -3.81 5.71 -3.14 1.25 3.41 0.20 -4.79 113.62 112.46 2gi4 n SER 150 Ca -0.02 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.77 2gi4 n SER 150 Cb 0.34 -1.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.06 2gi4 n SER 150 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2gi4 n LYS 151 N 1.54 -1.90 -0.51 4.33 4.81 -1.19 -4.93 118.16 120.32 2gi4 n LYS 151 Ca 0.30 1.66 0.06 0.00 -0.87 0.00 0.00 58.31 59.45 2gi4 n LYS 151 Cb 0.67 -4.67 0.24 0.00 0.02 0.00 0.00 35.03 31.29 2gi4 n LYS 151 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2gi4 n HIS 152 N -0.99 0.95 -3.47 5.64 -0.00 -1.15 -5.00 115.22 111.21 2gi4 n HIS 152 Ca -0.00 -1.04 0.00 0.00 0.46 0.00 0.00 57.72 57.13 2gi4 n HIS 152 Cb 0.54 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 2gi4 n HIS 152 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2gi4 n HIS 153 N -0.70 0.00 -4.43 1.57 -0.00 -1.26 -5.01 115.22 105.40 2gi4 n HIS 153 Ca 0.24 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.62 2gi4 n HIS 153 Cb 0.92 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.78 2gi4 n HIS 153 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2gi4 s HIS 154 N -0.39 2.96 0.72 -1.40 0.00 -1.26 -5.12 115.29 110.81 2gi4 s HIS 154 Ca 0.00 -0.46 -0.04 0.00 -3.00 0.00 0.00 55.06 51.55 2gi4 s HIS 154 Cb 0.00 -1.95 0.10 0.00 -4.00 0.00 0.00 32.58 26.73 2gi4 s HIS 154 CO 0.00 -0.15 1.01 -3.38 -1.00 0.00 0.00 174.74 171.22 2gi4 s HIS 155 N 0.52 2.19 0.00 0.38 -0.00 -1.26 -5.26 115.29 111.86 2gi4 s HIS 155 Ca -0.05 0.06 0.00 0.00 -0.00 0.00 0.00 55.06 55.07 2gi4 s HIS 155 Cb -0.15 -3.17 0.00 0.00 -0.00 0.00 0.00 32.58 29.26 2gi4 s HIS 155 CO 0.03 -1.61 0.00 -2.39 -0.00 0.00 0.00 174.74 170.77