#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 0.68 -0.11 3.17 3.01 -1.26 -5.01 119.74 120.22 2gi4 s LYS 2 Ca 0.00 -0.65 0.01 0.00 -1.01 0.00 0.00 55.97 54.31 2gi4 s LYS 2 Cb 0.00 -2.02 0.02 0.00 -1.01 0.00 0.00 37.83 34.82 2gi4 s LYS 2 CO 0.00 -0.77 -0.11 0.15 0.51 0.00 0.00 175.35 175.12 2gi4 s LYS 3 N 1.78 1.82 -0.23 1.68 1.02 -1.26 -2.18 119.74 122.37 2gi4 s LYS 3 Ca 0.03 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.64 2gi4 s LYS 3 Cb -0.17 -1.69 0.05 0.00 -0.52 0.00 0.00 37.83 35.50 2gi4 s LYS 3 CO -0.15 -0.16 -0.10 0.42 -0.92 0.00 0.00 175.35 174.44 2gi4 s ILE 4 N 1.30 1.89 -0.29 2.17 -1.09 -0.94 -1.02 121.20 123.22 2gi4 s ILE 4 Ca -0.02 -1.34 -0.20 0.00 -2.23 0.00 0.00 60.65 56.86 2gi4 s ILE 4 Cb -0.14 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 2gi4 s ILE 4 CO -0.05 0.05 0.60 -0.22 -1.23 0.00 0.00 174.94 174.09 2gi4 s LEU 5 N 1.25 4.12 -0.27 2.97 0.20 0.27 -1.53 118.68 125.68 2gi4 s LEU 5 Ca -0.05 0.49 -0.12 0.00 0.69 0.00 0.00 54.13 55.14 2gi4 s LEU 5 Cb -0.18 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.75 2gi4 s LEU 5 CO -0.07 -0.42 0.23 -0.36 -0.29 0.00 0.00 176.35 175.45 2gi4 s PHE 6 N 2.52 3.23 -0.20 5.38 0.08 -0.48 -1.72 117.98 126.79 2gi4 s PHE 6 Ca 0.24 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 2gi4 s PHE 6 Cb -0.15 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.86 2gi4 s PHE 6 CO 0.11 -0.16 -0.01 0.42 -0.10 0.00 0.00 175.22 175.47 2gi4 s ILE 7 N 1.79 3.84 -0.06 0.64 1.01 -0.53 -1.92 121.20 125.98 2gi4 s ILE 7 Ca 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2gi4 s ILE 7 Cb -0.16 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.59 2gi4 s ILE 7 CO 0.10 0.43 -0.11 0.00 0.00 0.00 0.00 174.94 175.37 2gi4 n LEU 9 N 3.73 0.00 -3.24 0.00 4.77 -1.26 -3.77 117.00 117.23 2gi4 n LEU 9 Ca -0.22 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 2gi4 n LEU 9 Cb 0.52 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2gi4 n LEU 9 CO 0.25 -0.07 -0.11 -0.83 -1.33 0.00 0.00 177.39 175.31 2gi4 s GLY 10 N -2.20 -0.17 0.00 -0.72 0.00 -1.26 -4.70 107.32 98.27 2gi4 s GLY 10 Ca 0.14 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2gi4 s GLY 10 CO 0.14 2.90 1.30 0.70 0.00 0.00 0.00 173.10 178.14 2gi4 n ASN 11 N 3.74 3.57 0.00 1.64 4.13 -1.26 -2.85 115.26 124.23 2gi4 n ASN 11 Ca 0.16 -1.93 0.00 0.00 1.68 0.00 0.00 54.58 54.49 2gi4 n ASN 11 Cb 0.49 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2gi4 n ILE 12 N 1.20 0.30 0.00 2.41 -5.35 -1.26 -2.81 119.36 113.84 2gi4 n ILE 12 Ca 0.00 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2gi4 n ILE 12 Cb 0.40 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 2gi4 n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gi4 h ARG 14 N 0.00 0.53 -0.22 0.00 -0.00 -1.95 -3.20 114.38 109.54 2gi4 h ARG 14 Ca 0.00 -0.90 0.04 0.00 -0.00 0.00 0.00 59.98 59.11 2gi4 h ARG 14 Cb 0.00 0.34 -0.03 0.00 -0.00 0.00 0.00 29.97 30.27 2gi4 h ARG 14 CO 0.00 1.43 -0.00 0.77 -0.00 0.00 0.00 179.97 182.17 2gi4 h SER 15 N 0.11 -0.09 -0.63 0.08 0.02 -1.90 -1.70 113.55 109.44 2gi4 h SER 15 Ca -0.25 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 2gi4 h SER 15 Cb 2.13 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 64.73 2gi4 h SER 15 CO 0.27 -0.02 0.20 1.55 -1.14 0.00 0.00 176.83 177.69 2gi4 h PRO 16 N 0.07 0.98 0.71 3.45 0.13 -1.76 -0.81 132.00 134.77 2gi4 h PRO 16 Ca 0.10 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2gi4 h PRO 16 Cb 0.13 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.11 2gi4 h PRO 16 CO -0.17 0.86 -0.43 0.52 -0.23 0.00 0.00 178.00 178.55 2gi4 h MET 17 N 0.91 -1.03 0.00 0.86 2.86 -1.49 -2.05 114.93 114.98 2gi4 h MET 17 Ca 0.20 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2gi4 h MET 17 Cb 0.29 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2gi4 h MET 17 CO -0.01 -0.69 -0.05 0.00 1.06 0.00 0.00 176.91 177.23 2gi4 h ALA 18 N -0.88 1.16 0.19 6.32 0.00 -1.32 -1.39 119.26 123.34 2gi4 h ALA 18 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2gi4 h ALA 18 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2gi4 h ALA 18 CO 0.10 0.06 -0.09 1.49 0.00 0.00 0.00 179.25 180.81 2gi4 h GLU 19 N 0.00 -0.25 -0.06 0.00 4.81 -0.44 0.18 114.58 118.81 2gi4 h GLU 19 Ca -0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2gi4 h GLU 19 Cb 0.24 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2gi4 h GLU 19 CO 0.01 -0.14 -0.30 0.35 -0.73 0.00 0.00 179.01 178.19 2gi4 h PHE 20 N -0.28 0.42 0.28 0.92 3.04 -1.09 -2.38 116.94 117.84 2gi4 h PHE 20 Ca -0.03 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.74 2gi4 h PHE 20 Cb 0.22 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 2gi4 h PHE 20 CO -0.06 0.92 -0.29 0.82 -2.02 0.00 0.00 178.31 177.68 2gi4 h ILE 21 N -0.20 0.38 -0.50 1.41 2.04 -1.25 -2.04 117.51 117.34 2gi4 h ILE 21 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2gi4 h ILE 21 Cb 0.95 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2gi4 h ILE 21 CO 0.06 0.00 0.25 0.24 0.00 0.00 0.00 178.15 178.70 2gi4 h MET 22 N -0.61 0.47 -0.99 2.37 2.86 -0.76 -1.61 114.93 116.66 2gi4 h MET 22 Ca -0.01 -0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.81 2gi4 h MET 22 Cb 0.57 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.02 2gi4 h MET 22 CO -0.07 0.31 0.62 -0.22 1.06 0.00 0.00 176.91 178.61 2gi4 h LYS 23 N 0.49 0.62 0.15 1.72 1.63 -1.09 0.16 116.57 120.24 2gi4 h LYS 23 Ca 0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2gi4 h LYS 23 Cb 0.13 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2gi4 h LYS 23 CO -0.16 0.41 -0.07 -0.44 -3.45 0.00 0.00 179.45 175.74 2gi4 h ASP 24 N 0.64 -0.17 -0.08 4.20 3.32 -0.60 -3.14 116.42 120.60 2gi4 h ASP 24 Ca 0.57 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2gi4 h ASP 24 Cb 1.05 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2gi4 h ASP 24 CO -0.34 0.34 0.04 0.25 -1.72 0.00 0.00 179.24 177.81 2gi4 h LEU 25 N -0.74 0.07 -1.01 1.55 6.46 -0.77 -2.93 115.31 117.93 2gi4 h LEU 25 Ca -0.02 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.89 2gi4 h LEU 25 Cb 0.52 -0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.35 2gi4 h LEU 25 CO 0.03 0.05 0.63 -0.37 -0.62 0.00 0.00 178.44 178.16 2gi4 h VAL 26 N 0.09 0.84 -0.93 1.05 -1.51 -0.83 -0.60 116.25 114.36 2gi4 h VAL 26 Ca 0.03 -0.31 0.26 0.00 -1.23 0.00 0.00 66.70 65.45 2gi4 h VAL 26 Cb -0.00 -0.15 -0.04 0.00 -2.13 0.00 0.00 31.29 28.96 2gi4 h VAL 26 CO -0.01 0.17 0.66 0.11 -1.23 0.00 0.00 177.57 177.27 2gi4 h LYS 27 N 0.91 0.04 0.22 5.19 1.57 -1.46 1.18 116.57 124.22 2gi4 h LYS 27 Ca 0.53 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2gi4 h LYS 27 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2gi4 h LYS 27 CO -0.31 0.03 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.27 2gi4 h LYS 28 N 0.04 -0.28 0.00 3.15 3.11 -1.21 -3.39 116.57 117.99 2gi4 h LYS 28 Ca 0.45 0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 58.22 2gi4 h LYS 28 Cb 1.72 0.06 -0.18 0.00 -1.00 0.00 0.00 32.23 32.83 2gi4 h LYS 28 CO -0.03 0.07 -0.71 0.00 -2.81 0.00 0.00 179.45 175.98 2gi4 n ALA 29 N -2.46 2.71 0.07 5.00 0.00 -0.87 -4.75 120.51 120.22 2gi4 n ALA 29 Ca -0.09 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2gi4 n ALA 29 Cb 0.25 -0.55 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 -0.25 0.43 0.29 0.00 5.03 0.40 -4.64 115.26 116.54 2gi4 n ASN 30 Ca 0.10 0.22 0.16 0.00 0.87 0.00 0.00 54.58 55.93 2gi4 n ASN 30 Cb 0.90 -0.02 0.91 0.00 -1.02 0.00 0.00 39.78 40.55 2gi4 n ASN 30 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2gi4 h LEU 31 N 0.00 0.00 -0.56 3.41 5.85 -1.59 0.30 115.31 122.71 2gi4 h LEU 31 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 2gi4 h LEU 31 Cb 0.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2gi4 h LEU 31 CO 0.00 0.04 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.11 2gi4 h GLU 32 N 0.00 0.12 -0.57 1.25 4.39 -1.81 -2.95 114.58 115.01 2gi4 h GLU 32 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2gi4 h GLU 32 Cb 0.13 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2gi4 h GLU 32 CO 0.00 0.77 0.00 1.63 -1.16 0.00 0.00 179.01 180.25 2gi4 n LYS 33 N -3.76 3.87 -3.04 2.33 5.02 -0.20 -4.96 118.16 117.43 2gi4 n LYS 33 Ca -0.02 -2.90 -0.13 0.00 -2.02 0.00 0.00 58.31 53.24 2gi4 n LYS 33 Cb 0.68 -1.94 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 2gi4 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gi4 n GLU 34 N 0.79 -1.99 -4.31 1.97 1.02 -0.47 -4.98 120.64 112.67 2gi4 n GLU 34 Ca 0.25 0.76 -0.33 0.00 -0.02 0.00 0.00 57.16 57.82 2gi4 n GLU 34 Cb 0.94 -5.31 -0.09 0.00 -0.02 0.00 0.00 31.44 26.96 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gi4 s PHE 35 N -3.34 3.08 -0.01 -0.32 0.40 0.87 -4.55 117.98 114.11 2gi4 s PHE 35 Ca 0.40 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.85 2gi4 s PHE 35 Cb -0.05 -1.68 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 2gi4 s PHE 35 CO 0.65 0.46 -0.09 0.12 0.70 0.00 0.00 175.22 177.06 2gi4 s PHE 36 N -1.05 0.81 -0.04 0.36 5.36 -0.93 -4.39 117.98 118.10 2gi4 s PHE 36 Ca 0.19 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.00 2gi4 s PHE 36 Cb -0.11 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 2gi4 s PHE 36 CO 0.09 -0.03 -0.05 0.96 -1.46 0.00 0.00 175.22 174.74 2gi4 s ILE 37 N -0.13 0.54 0.46 3.12 -0.00 -1.26 -2.22 121.20 121.70 2gi4 s ILE 37 Ca 0.02 -0.13 0.07 0.00 -0.00 0.00 0.00 60.65 60.62 2gi4 s ILE 37 Cb -0.04 -0.56 0.00 0.00 -0.00 0.00 0.00 42.46 41.86 2gi4 s ILE 37 CO -0.00 0.22 0.43 0.20 -0.00 0.00 0.00 174.94 175.79 2gi4 s ASN 38 N 0.88 5.00 -0.29 4.36 0.01 -0.58 -4.98 114.94 119.32 2gi4 s ASN 38 Ca -0.12 -0.84 -0.13 0.00 -0.71 0.00 0.00 52.86 51.06 2gi4 s ASN 38 Cb -0.14 -0.30 0.13 0.00 0.41 0.00 0.00 41.25 41.35 2gi4 s ASN 38 CO 0.00 -0.81 0.79 -0.55 -1.51 0.00 0.00 177.10 175.02 2gi4 s SER 39 N -4.22 -0.87 0.19 -1.22 0.15 -1.25 -1.39 113.70 105.09 2gi4 s SER 39 Ca 0.47 1.25 -0.23 0.00 0.70 0.00 0.00 55.95 58.14 2gi4 s SER 39 Cb -0.03 1.81 0.05 0.00 -1.71 0.00 0.00 66.02 66.14 2gi4 s SER 39 CO 0.28 -0.18 0.70 0.00 1.20 0.00 0.00 173.24 175.24 2gi4 s ALA 40 N 2.33 -1.48 0.97 5.45 0.00 -0.81 -4.93 121.76 123.30 2gi4 s ALA 40 Ca -0.06 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2gi4 s ALA 40 Cb -0.08 0.81 0.19 0.00 0.00 0.00 0.00 23.12 24.04 2gi4 s ALA 40 CO -0.18 -0.89 1.22 0.20 0.00 0.00 0.00 175.76 176.11 2gi4 s GLY 41 N -2.81 1.67 0.01 0.00 0.00 -0.96 -1.91 107.32 103.31 2gi4 s GLY 41 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.64 2gi4 s GLY 41 CO -0.03 -0.22 1.21 -0.84 0.00 0.00 0.00 173.10 173.22 2gi4 h THR 42 N -1.70 1.42 0.00 0.90 2.02 -1.87 -0.17 112.91 113.50 2gi4 h THR 42 Ca -0.46 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.12 2gi4 h THR 42 Cb 1.28 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2gi4 h THR 42 CO 0.47 0.46 0.00 -0.24 0.37 0.00 0.00 175.52 176.57 2gi4 n SER 43 N -4.50 0.82 -2.17 4.18 2.88 -1.26 -4.45 113.62 109.13 2gi4 n SER 43 Ca -0.08 -0.97 -0.19 0.00 -1.33 0.00 0.00 58.87 56.30 2gi4 n SER 43 Cb 0.45 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 2gi4 n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gi4 n GLY 44 N 0.05 0.16 0.24 0.46 0.00 -1.25 -4.85 105.19 100.00 2gi4 n GLY 44 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.95 -3.41 114.58 115.39 2gi4 h GLU 45 Ca -0.44 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2gi4 h GLU 45 Cb 1.31 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2gi4 h GLU 45 CO 0.55 -0.35 -0.25 0.72 -1.00 0.00 0.00 179.01 178.68 2gi4 n HIS 46 N -5.33 0.00 -1.51 4.33 8.25 -1.26 -5.04 115.22 114.66 2gi4 n HIS 46 Ca -0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.97 2gi4 n HIS 46 Cb 0.24 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 2gi4 n HIS 46 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2gi4 n ASP 47 N -0.46 0.49 0.00 0.41 8.00 -1.26 -0.94 116.55 122.78 2gi4 n ASP 47 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2gi4 n ASP 47 Cb 0.02 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 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 6.37 -0.23 0.00 0.44 0.00 -1.13 -1.66 105.19 108.99 2gi4 n GLY 48 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 1.61 1.02 -0.12 -2.35 120.64 120.81 2gi4 n GLU 49 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2gi4 n GLU 49 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.64 2.67 3.78 0.62 0.00 -1.26 -4.68 105.19 105.68 2gi4 n GLY 50 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 2.64 2.19 0.05 1.61 0.23 -1.24 -4.37 119.30 120.41 2gi4 s MET 51 Ca 0.00 -2.24 0.02 0.00 -1.03 0.00 0.00 55.69 52.44 2gi4 s MET 51 Cb 0.00 -1.71 -0.03 0.00 -1.53 0.00 0.00 34.83 31.57 2gi4 s MET 51 CO 0.00 -0.36 -0.08 -1.58 -2.03 0.00 0.00 175.02 170.97 2gi4 s HIS 52 N -2.81 0.72 0.70 3.16 2.46 -0.39 -4.83 115.29 114.29 2gi4 s HIS 52 Ca 0.18 -0.58 -0.17 0.00 0.47 0.00 0.00 55.06 54.96 2gi4 s HIS 52 Cb 0.02 -0.43 -0.05 0.00 -0.13 0.00 0.00 32.58 31.99 2gi4 s HIS 52 CO 0.10 -0.10 0.53 0.66 -2.47 0.00 0.00 174.74 173.46 2gi4 n TYR 53 N 1.17 -0.78 0.00 3.88 4.01 -1.26 -2.55 117.16 121.62 2gi4 n TYR 53 Ca -0.21 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2gi4 n TYR 53 Cb 0.56 -1.92 0.00 0.00 -0.31 0.00 0.00 39.34 37.67 2gi4 n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gi4 n GLY 54 N 1.68 1.09 0.18 2.72 0.00 -1.26 -4.28 105.19 105.32 2gi4 n GLY 54 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2gi4 n GLY 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gi4 h THR 55 N 0.00 0.73 -0.51 2.61 1.35 -1.73 0.96 112.91 116.32 2gi4 h THR 55 Ca 0.00 -0.14 0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2gi4 h THR 55 Cb 0.00 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 67.21 2gi4 h THR 55 CO 0.00 0.03 0.34 0.07 -0.25 0.00 0.00 175.52 175.71 2gi4 h LYS 56 N -0.46 0.63 -0.04 4.72 5.09 -1.77 -1.02 116.57 123.73 2gi4 h LYS 56 Ca -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.66 2gi4 h LYS 56 Cb 0.35 -0.14 -0.00 0.00 0.10 0.00 0.00 32.23 32.54 2gi4 h LYS 56 CO 0.07 0.42 0.02 -0.97 -2.09 0.00 0.00 179.45 176.89 2gi4 h ASN 57 N 0.65 0.04 0.06 7.07 -1.24 -1.70 0.23 115.58 120.69 2gi4 h ASN 57 Ca 0.20 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2gi4 h ASN 57 Cb -0.01 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2gi4 h ASN 57 CO -0.05 0.11 -0.03 0.50 -1.29 0.00 0.00 177.43 176.68 2gi4 h LYS 58 N -0.03 -0.07 0.10 6.67 1.63 -0.23 -2.26 116.57 122.37 2gi4 h LYS 58 Ca 0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2gi4 h LYS 58 Cb 0.08 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2gi4 h LYS 58 CO -0.00 0.08 -0.05 -0.07 -3.45 0.00 0.00 179.45 175.97 2gi4 h LEU 59 N -0.22 -0.11 -1.62 5.20 3.38 -1.17 -2.52 115.31 118.26 2gi4 h LEU 59 Ca -0.01 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.06 2gi4 h LEU 59 Cb 0.19 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2gi4 h LEU 59 CO 0.01 0.03 0.58 0.00 0.09 0.00 0.00 178.44 179.15 2gi4 h ALA 60 N 0.65 2.30 -0.51 1.53 0.00 -0.55 1.19 119.26 123.88 2gi4 h ALA 60 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gi4 h ALA 60 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2gi4 h ALA 60 CO 0.02 -0.56 0.33 0.37 0.00 0.00 0.00 179.25 179.41 2gi4 h GLN 61 N 0.32 0.67 0.00 0.00 -0.00 -0.95 -3.43 115.11 111.72 2gi4 h GLN 61 Ca 0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 2gi4 h GLN 61 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.52 2gi4 h GLN 61 CO -0.13 0.45 0.00 1.28 0.00 0.00 0.00 178.83 180.42 2gi4 n LEU 62 N -4.73 0.00 0.00 -2.39 4.32 -0.06 -5.12 117.00 109.02 2gi4 n LEU 62 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2gi4 n LEU 62 Cb 0.02 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2gi4 n LEU 62 CO 0.35 -0.32 0.00 0.59 -1.22 0.00 0.00 177.39 176.79 2gi4 n ASN 63 N -2.14 -0.33 -4.74 -1.43 3.02 0.39 -5.01 115.26 105.02 2gi4 n ASN 63 Ca 0.00 -0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 2gi4 n ASN 63 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.29 5.33 -0.80 2.41 -1.09 -1.24 -4.24 121.20 121.28 2gi4 s ILE 64 Ca 0.00 0.47 -0.19 0.00 -2.23 0.00 0.00 60.65 58.70 2gi4 s ILE 64 Cb 0.00 -3.59 -0.19 0.00 -1.58 0.00 0.00 42.46 37.11 2gi4 s ILE 64 CO 0.00 0.43 2.08 -0.62 -1.23 0.00 0.00 174.94 175.59 2gi4 n GLU 65 N 3.35 0.24 0.00 2.79 1.02 -1.26 -4.59 120.64 122.18 2gi4 n GLU 65 Ca -0.13 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 2gi4 n GLU 65 Cb 0.52 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 2gi4 n GLU 65 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2gi4 n HIS 66 N 14.38 0.00 -1.57 -0.32 1.44 -1.26 -4.92 115.22 122.98 2gi4 n HIS 66 Ca 0.43 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.20 2gi4 n HIS 66 Cb 0.39 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.49 2gi4 n HIS 66 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2gi4 n LYS 67 N 0.00 -0.91 -3.02 -1.40 5.02 -1.26 -4.85 118.16 111.74 2gi4 n LYS 67 Ca 0.00 0.60 -0.22 0.00 -2.02 0.00 0.00 58.31 56.67 2gi4 n LYS 67 Cb 0.00 -1.11 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gi4 n ASN 68 N -1.93 -6.01 -4.64 4.39 4.13 -1.26 -4.82 115.26 105.13 2gi4 n ASN 68 Ca 0.00 -0.28 -0.42 0.00 1.68 0.00 0.00 54.58 55.56 2gi4 n ASN 68 Cb 0.21 -4.86 -0.04 0.00 -1.54 0.00 0.00 39.78 33.55 2gi4 n ASN 68 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2gi4 s PHE 69 N -3.16 3.29 -0.24 3.10 -0.12 -1.26 -4.90 117.98 114.69 2gi4 s PHE 69 Ca 0.30 1.12 -0.10 0.00 -0.05 0.00 0.00 56.93 58.20 2gi4 s PHE 69 Cb -0.13 -3.11 0.09 0.00 -0.63 0.00 0.00 43.02 39.24 2gi4 s PHE 69 CO 0.37 -0.44 0.54 0.95 -0.05 0.00 0.00 175.22 176.59 2gi4 s THR 70 N 2.91 -0.49 -0.20 -4.49 -4.23 -0.99 -4.96 115.64 103.20 2gi4 s THR 70 Ca 0.36 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 60.65 2gi4 s THR 70 Cb -0.15 -0.82 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 2gi4 s THR 70 CO 0.08 0.03 2.12 -0.44 -0.54 0.00 0.00 174.62 175.87 2gi4 s SER 71 N 2.25 5.66 0.05 3.99 0.01 -1.13 -4.27 113.70 120.25 2gi4 s SER 71 Ca -0.06 1.93 0.08 0.00 1.31 0.00 0.00 55.95 59.20 2gi4 s SER 71 Cb -0.10 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2gi4 s SER 71 CO -0.16 -1.79 -0.22 -0.54 0.41 0.00 0.00 173.24 170.94 2gi4 s LYS 72 N 5.98 1.44 -0.31 12.44 -0.14 -0.66 -4.96 119.74 133.52 2gi4 s LYS 72 Ca 0.96 -0.98 -0.01 0.00 -1.36 0.00 0.00 55.97 54.58 2gi4 s LYS 72 Cb -0.33 -1.57 0.10 0.00 -1.68 0.00 0.00 37.83 34.35 2gi4 s LYS 72 CO 0.36 0.40 0.10 0.15 -0.76 0.00 0.00 175.35 175.59 2gi4 s LYS 73 N -1.22 0.71 0.26 1.68 3.01 -1.26 -2.27 119.74 120.65 2gi4 s LYS 73 Ca 0.08 -1.05 -0.31 0.00 -1.01 0.00 0.00 55.97 53.68 2gi4 s LYS 73 Cb -0.09 -1.99 -0.13 0.00 -1.01 0.00 0.00 37.83 34.62 2gi4 s LYS 73 CO 0.02 -0.98 1.48 -0.11 0.51 0.00 0.00 175.35 176.27 2gi4 n LEU 74 N 4.85 3.62 0.00 3.17 0.00 -0.08 -4.86 117.00 123.71 2gi4 n LEU 74 Ca -0.02 1.15 -0.18 0.00 0.00 0.00 0.00 56.01 56.95 2gi4 n LEU 74 Cb 0.42 -1.50 -0.05 0.00 0.00 0.00 0.00 43.42 42.30 2gi4 n LEU 74 CO 0.11 -0.24 -0.12 0.41 0.00 0.00 0.00 177.39 177.56 2gi4 n THR 75 N 1.94 0.00 -0.07 1.96 -1.04 -1.26 -4.72 114.28 111.10 2gi4 n THR 75 Ca 0.10 -1.59 -0.13 0.00 -2.04 0.00 0.00 64.05 60.39 2gi4 n THR 75 Cb 0.34 0.51 -0.06 0.00 -1.82 0.00 0.00 70.33 69.30 2gi4 n THR 75 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2gi4 h GLN 76 N 0.00 0.49 -0.96 -2.82 3.07 -1.96 -2.05 115.11 110.88 2gi4 h GLN 76 Ca -0.23 -0.27 0.03 0.00 0.09 0.00 0.00 58.65 58.28 2gi4 h GLN 76 Cb 0.82 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 28.34 2gi4 h GLN 76 CO 0.37 0.85 0.63 -0.22 0.09 0.00 0.00 178.83 180.55 2gi4 h LYS 77 N 0.16 1.20 -0.24 0.06 3.64 -1.99 -0.09 116.57 119.32 2gi4 h LYS 77 Ca 0.03 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2gi4 h LYS 77 Cb 0.77 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2gi4 h LYS 77 CO 0.05 0.79 -0.25 1.25 -2.27 0.00 0.00 179.45 179.02 2gi4 h LEU 78 N 1.24 0.63 -1.34 5.20 6.46 -1.96 -3.10 115.31 122.44 2gi4 h LEU 78 Ca 0.38 -0.48 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 2gi4 h LEU 78 Cb -0.03 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2gi4 h LEU 78 CO -0.11 0.99 -0.11 0.00 -0.62 0.00 0.00 178.44 178.58 2gi4 h ASP 80 N 0.29 0.00 0.00 0.00 5.19 -0.94 -3.04 116.42 117.92 2gi4 h ASP 80 Ca 0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2gi4 h ASP 80 Cb 0.38 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 2gi4 h ASP 80 CO 0.02 0.00 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.75 2gi4 h GLU 81 N 0.00 0.00 -6.86 3.56 4.39 -1.36 -3.46 114.58 110.85 2gi4 h GLU 81 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2gi4 h GLU 81 Cb 0.11 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.84 2gi4 h GLU 81 CO 0.00 0.16 0.78 -1.12 -1.16 0.00 0.00 179.01 177.67 2gi4 s SER 82 N -5.68 6.48 0.21 1.42 0.01 -1.15 -4.87 113.70 110.12 2gi4 s SER 82 Ca -0.04 2.89 0.24 0.00 1.31 0.00 0.00 55.95 60.34 2gi4 s SER 82 Cb -0.00 -2.65 0.36 0.00 0.21 0.00 0.00 66.02 63.94 2gi4 s SER 82 CO 0.13 -0.80 1.39 -0.78 0.41 0.00 0.00 173.24 173.59 2gi4 h ASP 83 N 3.98 0.00 -3.46 2.44 1.82 -1.36 -3.45 116.42 116.39 2gi4 h ASP 83 Ca -0.48 -0.09 -0.39 0.00 -0.39 0.00 0.00 57.03 55.67 2gi4 h ASP 83 Cb 1.23 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.90 2gi4 h ASP 83 CO 0.71 0.05 -0.77 -0.36 -1.61 0.00 0.00 179.24 177.26 2gi4 s PHE 84 N -3.20 0.63 0.13 0.28 0.08 -0.85 -5.00 117.98 110.05 2gi4 s PHE 84 Ca 0.06 -0.15 0.10 0.00 0.12 0.00 0.00 56.93 57.06 2gi4 s PHE 84 Cb 0.11 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2gi4 s PHE 84 CO 0.70 -0.18 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.90 2gi4 s LEU 85 N 0.97 2.48 -0.20 -0.37 1.02 -0.59 -0.57 118.68 121.43 2gi4 s LEU 85 Ca -0.10 -0.69 -0.03 0.00 0.02 0.00 0.00 54.13 53.32 2gi4 s LEU 85 Cb -0.14 -1.34 0.07 0.00 0.02 0.00 0.00 46.19 44.79 2gi4 s LEU 85 CO -0.00 0.17 0.06 -0.63 0.02 0.00 0.00 176.35 175.97 2gi4 s ILE 86 N -1.16 0.33 0.06 -0.59 1.09 -0.70 -1.01 121.20 119.22 2gi4 s ILE 86 Ca 0.16 -0.53 -0.21 0.00 -1.10 0.00 0.00 60.65 58.97 2gi4 s ILE 86 Cb -0.10 -0.95 -0.12 0.00 -1.06 0.00 0.00 42.46 40.23 2gi4 s ILE 86 CO 0.08 -0.31 1.49 0.71 -0.10 0.00 0.00 174.94 176.81 2gi4 h THR 87 N 6.48 1.25 0.00 2.92 1.35 -0.71 -1.40 112.91 122.80 2gi4 h THR 87 Ca -0.16 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2gi4 h THR 87 Cb 1.11 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2gi4 h THR 87 CO 0.34 0.25 0.00 0.80 -0.25 0.00 0.00 175.52 176.66 2gi4 n MET 88 N -4.75 0.00 -2.82 4.72 1.56 -1.24 -4.41 117.12 110.18 2gi4 n MET 88 Ca -0.05 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 56.98 2gi4 n MET 88 Cb 0.21 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.53 2gi4 n MET 88 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2gi4 s ASP 89 N 0.00 7.53 0.02 6.12 1.11 -1.26 -4.08 116.67 126.11 2gi4 s ASP 89 Ca 0.00 1.81 -0.13 0.00 0.18 0.00 0.00 52.55 54.41 2gi4 s ASP 89 Cb 0.00 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 2gi4 s ASP 89 CO 0.00 0.13 1.20 0.78 1.18 0.00 0.00 175.17 178.45 2gi4 h ASN 90 N 4.53 -0.43 -0.18 0.27 4.21 -1.94 -2.80 115.58 119.23 2gi4 h ASN 90 Ca -0.45 0.02 0.05 0.00 1.21 0.00 0.00 56.30 57.13 2gi4 h ASN 90 Cb 1.20 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 2gi4 h ASN 90 CO 0.68 -0.27 0.26 0.77 -1.29 0.00 0.00 177.43 177.57 2gi4 h SER 91 N -0.44 0.00 -0.35 5.81 4.64 -2.00 -1.01 113.55 120.20 2gi4 h SER 91 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2gi4 h SER 91 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2gi4 h SER 91 CO 0.05 0.00 0.22 -1.13 -0.87 0.00 0.00 176.83 175.10 2gi4 h ASN 92 N 0.00 0.41 0.22 4.97 -1.24 -1.87 -2.43 115.58 115.64 2gi4 h ASN 92 Ca 0.08 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 2gi4 h ASN 92 Cb 0.60 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.54 2gi4 h ASN 92 CO -0.00 0.31 -0.11 0.15 -1.29 0.00 0.00 177.43 176.49 2gi4 h PHE 93 N 0.48 -0.27 -1.01 0.67 3.57 -1.16 -1.25 116.94 117.97 2gi4 h PHE 93 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2gi4 h PHE 93 Cb -0.03 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2gi4 h PHE 93 CO 0.00 -0.01 0.67 0.87 -2.23 0.00 0.00 178.31 177.61 2gi4 h LYS 94 N -0.51 1.33 0.35 1.11 1.79 -1.64 -0.71 116.57 118.29 2gi4 h LYS 94 Ca -0.03 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 2gi4 h LYS 94 Cb 0.38 -0.30 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2gi4 h LYS 94 CO 0.05 0.88 -0.17 -0.97 -1.08 0.00 0.00 179.45 178.16 2gi4 h ASN 95 N 1.37 -0.40 0.22 0.86 -1.24 -1.40 -3.13 115.58 111.86 2gi4 h ASN 95 Ca 0.37 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 2gi4 h ASN 95 Cb -0.16 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 2gi4 h ASN 95 CO -0.08 -0.02 -0.06 1.62 -1.29 0.00 0.00 177.43 177.60 2gi4 h VAL 96 N -0.82 0.47 -0.54 2.57 3.04 -1.17 -1.65 116.25 118.15 2gi4 h VAL 96 Ca -0.05 -0.29 0.01 0.00 -1.01 0.00 0.00 66.70 65.36 2gi4 h VAL 96 Cb 0.53 1.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2gi4 h VAL 96 CO 0.08 0.06 0.36 0.25 -1.01 0.00 0.00 177.57 177.31 2gi4 h LEU 97 N 0.00 0.62 0.11 3.16 5.85 -1.07 -1.48 115.31 122.50 2gi4 h LEU 97 Ca -0.00 -0.02 -0.31 0.00 0.84 0.00 0.00 57.88 58.39 2gi4 h LEU 97 Cb 0.19 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2gi4 h LEU 97 CO 0.01 0.45 -1.63 0.11 -0.34 0.00 0.00 178.44 177.04 2gi4 h LYS 98 N 0.73 0.23 0.00 1.25 1.57 -1.54 -3.35 116.57 115.47 2gi4 h LYS 98 Ca 0.20 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2gi4 h LYS 98 Cb -0.08 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2gi4 h LYS 98 CO -0.04 1.19 0.00 -0.97 -0.57 0.00 0.00 179.45 179.06 2gi4 h ASN 99 N -0.23 0.00 -0.66 0.86 -0.73 -1.34 -3.43 115.58 110.05 2gi4 h ASN 99 Ca -0.36 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.23 2gi4 h ASN 99 Cb 1.83 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.36 2gi4 h ASN 99 CO 0.04 0.00 -0.33 -0.36 -0.37 0.00 0.00 177.43 176.41 2gi4 s PHE 100 N -4.07 1.76 0.00 0.67 0.40 -0.56 -5.05 117.98 111.13 2gi4 s PHE 100 Ca -0.04 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2gi4 s PHE 100 Cb 0.12 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.74 2gi4 s PHE 100 CO 0.39 -0.38 0.00 0.25 0.70 0.00 0.00 175.22 176.18 2gi4 n THR 101 N -1.69 0.00 0.82 0.64 -2.24 -1.26 -4.87 114.28 105.67 2gi4 n THR 101 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2gi4 n THR 101 Cb 0.64 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2gi4 n THR 101 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2gi4 n ASN 102 N -2.74 0.07 -0.66 3.42 6.94 -1.26 -3.01 115.26 118.03 2gi4 n ASN 102 Ca 0.00 -0.89 0.06 0.00 -0.02 0.00 0.00 54.58 53.73 2gi4 n ASN 102 Cb 0.00 -0.04 0.16 0.00 -2.36 0.00 0.00 39.78 37.54 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2gi4 n THR 103 N -0.37 0.49 0.25 5.53 5.66 -1.26 -4.21 114.28 120.37 2gi4 n THR 103 Ca 0.00 -0.47 0.14 0.00 -3.05 0.00 0.00 64.05 60.66 2gi4 n THR 103 Cb 0.02 0.22 0.72 0.00 -1.55 0.00 0.00 70.33 69.74 2gi4 n THR 103 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2gi4 h GLN 104 N 2.04 0.00 0.00 1.09 4.20 -1.87 0.25 115.11 120.83 2gi4 h GLN 104 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gi4 h GLN 104 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2gi4 h GLN 104 CO 0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.26 2gi4 n ASN 105 N -2.57 0.00 -0.33 1.46 5.03 -1.26 -2.31 115.26 115.29 2gi4 n ASN 105 Ca -0.02 -1.41 0.04 0.00 0.87 0.00 0.00 54.58 54.06 2gi4 n ASN 105 Cb 0.23 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.02 2gi4 n ASN 105 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2gi4 n LYS 106 N -0.56 0.59 -3.97 3.52 3.00 0.08 -4.99 118.16 115.83 2gi4 n LYS 106 Ca 0.02 -0.95 -0.36 0.00 -0.00 0.00 0.00 58.31 57.03 2gi4 n LYS 106 Cb 0.01 -1.15 -0.07 0.00 0.00 0.00 0.00 35.03 33.82 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2gi4 s VAL 107 N -0.83 5.21 0.18 3.15 1.01 -0.98 -1.54 120.40 126.60 2gi4 s VAL 107 Ca 0.10 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2gi4 s VAL 107 Cb 0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2gi4 s VAL 107 CO 0.13 0.58 -0.20 -0.76 0.00 0.00 0.00 175.10 174.85 2gi4 s LEU 108 N -0.71 2.44 0.03 3.92 1.43 -0.18 -4.92 118.68 120.69 2gi4 s LEU 108 Ca 0.13 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2gi4 s LEU 108 Cb -0.12 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2gi4 s LEU 108 CO 0.03 0.01 -0.11 -0.54 0.23 0.00 0.00 176.35 175.96 2gi4 s LYS 109 N -2.79 2.32 0.14 1.70 1.02 -1.26 -0.07 119.74 120.80 2gi4 s LYS 109 Ca 0.18 -0.86 0.10 0.00 0.02 0.00 0.00 55.97 55.41 2gi4 s LYS 109 Cb -0.06 -2.36 0.54 0.00 -0.52 0.00 0.00 37.83 35.43 2gi4 s LYS 109 CO 0.08 0.57 1.32 1.51 -0.92 0.00 0.00 175.35 177.90 2gi4 n ILE 110 N 1.44 1.52 -0.18 2.17 0.13 -1.26 -1.94 119.36 121.24 2gi4 n ILE 110 Ca -0.15 0.57 -0.01 0.00 -1.10 0.00 0.00 62.75 62.06 2gi4 n ILE 110 Cb 0.52 -1.56 0.23 0.00 -0.84 0.00 0.00 39.64 37.99 2gi4 n ILE 110 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2gi4 h THR 111 N 0.00 1.20 0.00 9.51 1.03 -1.85 1.65 112.91 124.45 2gi4 h THR 111 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2gi4 h THR 111 Cb 0.03 0.29 0.00 0.00 -1.07 0.00 0.00 68.15 67.40 2gi4 h THR 111 CO 0.00 0.23 -0.11 0.44 -0.01 0.00 0.00 175.52 176.07 2gi4 h ASP 112 N 0.94 0.00 -0.01 0.00 3.32 -1.82 -2.40 116.42 116.44 2gi4 h ASP 112 Ca 0.24 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2gi4 h ASP 112 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2gi4 h ASP 112 CO -0.04 0.02 -0.27 0.49 -1.72 0.00 0.00 179.24 177.72 2gi4 n PHE 113 N -2.36 0.00 -2.80 4.55 3.72 -0.44 -4.72 117.46 115.41 2gi4 n PHE 113 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 2gi4 n PHE 113 Cb 0.45 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 2gi4 n PHE 113 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2gi4 n SER 114 N -0.08 -2.36 0.01 4.37 7.64 0.55 -4.91 113.62 118.84 2gi4 n SER 114 Ca 0.06 -3.35 -0.13 0.00 1.01 0.00 0.00 58.87 56.46 2gi4 n SER 114 Cb 0.31 1.57 -0.09 0.00 -1.01 0.00 0.00 64.21 64.98 2gi4 n SER 114 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2gi4 h PRO 115 N 3.70 -0.04 0.00 1.43 0.13 -1.63 -2.94 132.00 132.65 2gi4 h PRO 115 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2gi4 h PRO 115 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2gi4 h PRO 115 CO 0.29 0.36 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 2gi4 n SER 116 N -4.92 0.00 -0.08 1.44 3.41 -1.26 -2.96 113.62 109.26 2gi4 n SER 116 Ca -0.08 -0.07 -0.18 0.00 -0.26 0.00 0.00 58.87 58.27 2gi4 n SER 116 Cb 0.22 -0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 2gi4 n SER 116 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gi4 h LEU 117 N 0.00 0.04 -3.31 1.04 5.85 -1.91 -3.49 115.31 113.53 2gi4 h LEU 117 Ca 0.00 -0.76 -0.35 0.00 0.84 0.00 0.00 57.88 57.62 2gi4 h LEU 117 Cb 0.10 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.13 2gi4 h LEU 117 CO 0.00 1.29 -1.13 -3.20 -0.34 0.00 0.00 178.44 175.06 2gi4 n ASN 118 N -4.46 -5.14 -2.78 1.25 4.05 -1.15 -4.99 115.26 102.03 2gi4 n ASN 118 Ca -0.22 -0.12 -0.07 0.00 0.45 0.00 0.00 54.58 54.62 2gi4 n ASN 118 Cb 0.62 -1.48 0.00 0.00 1.23 0.00 0.00 39.78 40.15 2gi4 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2gi4 n TYR 119 N -0.07 -1.49 -3.68 1.20 4.11 -1.26 -5.11 117.16 110.86 2gi4 n TYR 119 Ca -0.08 -0.63 -0.29 0.00 -0.00 0.00 0.00 57.90 56.90 2gi4 n TYR 119 Cb 0.63 -0.13 -0.13 0.00 -0.00 0.00 0.00 39.34 39.71 2gi4 n TYR 119 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2gi4 s ASP 120 N -1.90 3.53 0.00 9.48 1.01 -1.26 -5.00 116.67 122.52 2gi4 s ASP 120 Ca 0.10 -2.63 0.00 0.00 0.71 0.00 0.00 52.55 50.73 2gi4 s ASP 120 Cb -0.01 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 42.96 2gi4 s ASP 120 CO 0.06 -0.26 0.00 -0.62 0.21 0.00 0.00 175.17 174.56 2gi4 n GLU 121 N 3.53 -0.62 -1.26 8.23 1.02 -1.26 -4.71 120.64 125.56 2gi4 n GLU 121 Ca 0.10 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2gi4 n GLU 121 Cb 0.35 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2gi4 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2gi4 n VAL 122 N 1.71 -4.42 0.00 2.62 0.31 -1.26 -4.90 118.33 112.39 2gi4 n VAL 122 Ca 0.00 1.90 0.00 0.00 -0.01 0.00 0.00 64.34 66.23 2gi4 n VAL 122 Cb 0.25 -2.63 0.00 0.00 -0.91 0.00 0.00 33.84 30.56 2gi4 n VAL 122 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2gi4 n PRO 123 N -0.82 3.64 -0.83 5.55 -0.04 -1.26 -4.60 135.00 136.64 2gi4 n PRO 123 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2gi4 n PRO 123 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2gi4 n PRO 123 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gi4 n ASP 124 N 0.00 -4.48 -0.34 3.54 -0.08 -1.25 -3.90 116.55 110.04 2gi4 n ASP 124 Ca 0.00 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 2gi4 n ASP 124 Cb 0.00 -2.44 0.31 0.00 2.34 0.00 0.00 41.12 41.32 2gi4 n ASP 124 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gi4 h PRO 125 N -0.21 0.70 -0.34 -0.67 0.11 -1.68 -0.11 132.00 129.80 2gi4 h PRO 125 Ca -0.04 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.13 2gi4 h PRO 125 Cb 0.61 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2gi4 h PRO 125 CO 0.01 0.47 0.44 2.35 -0.21 0.00 0.00 178.00 181.06 2gi4 h TRP 126 N 0.72 0.00 0.00 0.65 2.91 -1.88 -2.36 115.95 115.99 2gi4 h TRP 126 Ca 0.57 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.59 2gi4 h TRP 126 Cb 0.88 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 2gi4 h TRP 126 CO -0.02 0.00 -0.43 0.66 -1.03 0.00 0.00 178.44 177.62 2gi4 n TYR 127 N -3.56 0.00 -0.07 2.65 4.01 -0.27 -4.91 117.16 115.02 2gi4 n TYR 127 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 2gi4 n TYR 127 Cb 0.59 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 2gi4 n TYR 127 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2gi4 h SER 128 N -0.43 0.00 0.00 7.72 4.64 -1.12 -3.48 113.55 120.88 2gi4 h SER 128 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2gi4 h SER 128 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2gi4 h SER 128 CO 0.00 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2gi4 n GLY 129 N 1.64 -0.03 3.28 -0.77 0.00 -0.89 -4.94 105.19 103.48 2gi4 n GLY 129 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.19 2.31 0.24 1.61 3.04 -1.26 -4.64 114.94 116.05 2gi4 s ASN 130 Ca 0.00 -0.80 0.19 0.00 0.04 0.00 0.00 52.86 52.29 2gi4 s ASN 130 Cb 0.00 -0.11 0.06 0.00 -1.54 0.00 0.00 41.25 39.66 2gi4 s ASN 130 CO 0.00 -0.07 1.23 -0.26 -3.04 0.00 0.00 177.10 174.96 2gi4 h PHE 131 N 3.54 0.00 0.00 0.43 -1.00 -1.91 -2.82 116.94 115.18 2gi4 h PHE 131 Ca -0.42 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.34 2gi4 h PHE 131 Cb 1.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 2gi4 h PHE 131 CO 0.66 0.29 -0.10 -0.44 -1.61 0.00 0.00 178.31 177.11 2gi4 h ASP 132 N 0.00 0.00 -0.36 2.17 5.19 -1.96 -3.19 116.42 118.27 2gi4 h ASP 132 Ca -0.04 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.42 2gi4 h ASP 132 Cb 1.26 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.72 2gi4 h ASP 132 CO 0.03 0.10 0.07 -0.33 -3.12 0.00 0.00 179.24 175.99 2gi4 h GLU 133 N 0.00 0.19 -1.14 3.56 4.39 -1.95 -0.87 114.58 118.75 2gi4 h GLU 133 Ca -0.00 -0.01 0.32 0.00 0.34 0.00 0.00 59.36 60.01 2gi4 h GLU 133 Cb 0.66 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.17 2gi4 h GLU 133 CO 0.01 0.12 0.75 1.79 -1.16 0.00 0.00 179.01 180.52 2gi4 h THR 134 N 0.19 0.40 0.26 1.13 1.35 -1.78 0.19 112.91 114.66 2gi4 h THR 134 Ca 0.17 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.93 2gi4 h THR 134 Cb 0.19 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 2gi4 h THR 134 CO -0.22 0.05 -0.13 0.22 -0.25 0.00 0.00 175.52 175.19 2gi4 h TYR 135 N 0.26 -0.33 0.03 4.73 3.20 -1.36 -1.66 116.97 121.83 2gi4 h TYR 135 Ca 0.65 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.54 2gi4 h TYR 135 Cb 1.90 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 40.24 2gi4 h TYR 135 CO -0.00 0.02 -0.21 0.87 -1.64 0.00 0.00 178.16 177.20 2gi4 h LYS 136 N -0.92 -0.34 0.48 1.82 1.79 -0.71 -0.35 116.57 118.33 2gi4 h LYS 136 Ca -0.04 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2gi4 h LYS 136 Cb 0.50 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2gi4 h LYS 136 CO 0.06 -0.23 -0.23 0.82 -1.08 0.00 0.00 179.45 178.79 2gi4 h ILE 137 N -0.36 0.00 0.19 1.86 1.08 -0.82 -2.07 117.51 117.41 2gi4 h ILE 137 Ca 0.05 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2gi4 h ILE 137 Cb 0.42 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 2gi4 h ILE 137 CO -0.18 0.00 -0.40 -0.07 -0.69 0.00 0.00 178.15 176.81 2gi4 h LEU 138 N -0.73 -1.14 0.27 1.44 3.38 -1.35 0.21 115.31 117.39 2gi4 h LEU 138 Ca -0.07 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2gi4 h LEU 138 Cb 0.49 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2gi4 h LEU 138 CO 0.11 -0.49 -0.38 -1.28 0.09 0.00 0.00 178.44 176.48 2gi4 h SER 139 N -0.68 -1.07 0.60 -0.43 0.87 -1.18 0.13 113.55 111.79 2gi4 h SER 139 Ca 0.01 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2gi4 h SER 139 Cb 0.68 0.38 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2gi4 h SER 139 CO -0.19 -0.50 -0.29 0.25 -0.53 0.00 0.00 176.83 175.58 2gi4 h LEU 140 N -0.71 -0.68 -0.52 2.23 5.85 -1.33 -2.29 115.31 117.85 2gi4 h LEU 140 Ca -0.01 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2gi4 h LEU 140 Cb 0.68 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2gi4 h LEU 140 CO -0.13 -0.40 0.19 0.00 -0.34 0.00 0.00 178.44 177.75 2gi4 h ALA 141 N -0.60 0.64 -0.15 1.25 0.00 -0.59 -0.93 119.26 118.88 2gi4 h ALA 141 Ca -0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gi4 h ALA 141 Cb 0.66 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2gi4 h ALA 141 CO 0.13 -0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.25 2gi4 h LYS 143 N 0.16 -1.22 -0.29 0.00 1.79 -1.06 0.18 116.57 116.14 2gi4 h LYS 143 Ca 0.06 0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.67 2gi4 h LYS 143 Cb 0.01 0.28 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 2gi4 h LYS 143 CO -0.04 -0.81 -0.07 -0.97 -1.08 0.00 0.00 179.45 176.48 2gi4 h ASN 144 N -1.33 -0.27 0.02 0.86 -1.24 -1.19 -0.07 115.58 112.36 2gi4 h ASN 144 Ca -0.13 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 2gi4 h ASN 144 Cb 0.97 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2gi4 h ASN 144 CO 0.21 -0.09 -0.05 0.25 -1.29 0.00 0.00 177.43 176.45 2gi4 h LEU 145 N 0.00 0.08 0.34 0.34 6.46 -0.85 -2.38 115.31 119.31 2gi4 h LEU 145 Ca 0.14 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2gi4 h LEU 145 Cb 0.21 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2gi4 h LEU 145 CO -0.30 0.16 -0.16 0.25 -0.62 0.00 0.00 178.44 177.77 2gi4 h LEU 146 N 0.09 -0.39 -0.44 2.25 7.12 0.11 -1.22 115.31 122.84 2gi4 h LEU 146 Ca 0.02 -0.15 0.07 0.00 0.13 0.00 0.00 57.88 57.95 2gi4 h LEU 146 Cb 0.16 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.34 2gi4 h LEU 146 CO 0.01 -0.03 0.10 0.58 -0.13 0.00 0.00 178.44 178.97 2gi4 h VAL 147 N -0.80 0.79 0.43 1.05 2.07 -0.93 0.46 116.25 119.32 2gi4 h VAL 147 Ca -0.05 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2gi4 h VAL 147 Cb 0.52 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2gi4 h VAL 147 CO 0.08 0.04 -0.21 0.15 0.02 0.00 0.00 177.57 177.66 2gi4 h PHE 148 N 0.24 -0.53 0.00 1.57 3.04 -1.48 0.22 116.94 120.00 2gi4 h PHE 148 Ca 0.21 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.15 2gi4 h PHE 148 Cb 0.25 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.94 2gi4 h PHE 148 CO -0.20 -0.22 0.00 1.28 -2.02 0.00 0.00 178.31 177.15 2gi4 n LEU 149 N -5.25 0.41 0.00 0.59 4.77 -0.46 -4.28 117.00 112.79 2gi4 n LEU 149 Ca -0.11 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2gi4 n LEU 149 Cb 0.29 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2gi4 n LEU 149 CO 0.32 -0.57 0.00 -0.24 -1.33 0.00 0.00 177.39 175.57 2gi4 n SER 150 N -1.99 0.00 -3.27 -1.43 2.88 0.14 -5.03 113.62 104.93 2gi4 n SER 150 Ca 0.01 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.37 2gi4 n SER 150 Cb 0.14 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 2gi4 n SER 150 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2gi4 s LYS 151 N 0.00 0.79 0.32 -1.46 3.01 -0.02 -5.06 119.74 117.32 2gi4 s LYS 151 Ca 0.00 -1.28 -0.29 0.00 -1.01 0.00 0.00 55.97 53.39 2gi4 s LYS 151 Cb 0.00 -0.83 -0.10 0.00 -1.01 0.00 0.00 37.83 35.89 2gi4 s LYS 151 CO 0.00 -1.28 1.40 -3.38 0.51 0.00 0.00 175.35 172.60 2gi4 s HIS 152 N 0.92 2.91 0.05 3.18 -3.43 0.58 -4.54 115.29 114.96 2gi4 s HIS 152 Ca 0.24 1.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.73 2gi4 s HIS 152 Cb -0.08 -3.82 0.00 0.00 -1.43 0.00 0.00 32.58 27.25 2gi4 s HIS 152 CO -0.08 -2.42 0.00 1.58 -2.00 0.00 0.00 174.74 171.82 2gi4 n HIS 153 N 1.13 -4.02 0.00 0.38 -0.00 -1.26 -5.04 115.22 106.40 2gi4 n HIS 153 Ca 0.02 2.40 0.00 0.00 -0.00 0.00 0.00 57.72 60.14 2gi4 n HIS 153 Cb 0.41 -3.50 0.00 0.00 -0.00 0.00 0.00 29.99 26.89 2gi4 n HIS 153 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2gi4 n HIS 154 N 1.53 -0.82 -4.22 1.57 -0.00 -1.26 -5.12 115.22 106.89 2gi4 n HIS 154 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 2gi4 n HIS 154 Cb 0.00 0.40 -0.15 0.00 -0.00 0.00 0.00 29.99 30.24 2gi4 n HIS 154 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2gi4 s HIS 155 N -1.81 0.68 0.00 -1.40 2.46 -1.26 -5.29 115.29 108.67 2gi4 s HIS 155 Ca 0.00 -0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.37 2gi4 s HIS 155 Cb 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 2gi4 s HIS 155 CO 0.00 -0.09 0.16 1.58 -2.47 0.00 0.00 174.74 173.92