#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 3.50 -0.03 0.03 -0.14 -1.26 -4.98 119.74 116.86 2gi4 s LYS 2 Ca 0.00 -0.61 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 2gi4 s LYS 2 Cb 0.00 -2.78 -0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2gi4 s LYS 2 CO 0.00 0.19 -0.14 0.15 -0.76 0.00 0.00 175.35 174.79 2gi4 s LYS 3 N 0.44 1.46 -0.25 1.68 1.02 -1.25 -1.58 119.74 121.26 2gi4 s LYS 3 Ca -0.07 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.42 2gi4 s LYS 3 Cb -0.15 -1.31 0.07 0.00 -0.52 0.00 0.00 37.83 35.92 2gi4 s LYS 3 CO 0.04 0.22 -0.02 0.42 -0.92 0.00 0.00 175.35 175.09 2gi4 s ILE 4 N 0.03 1.46 -0.35 2.17 1.09 -0.71 -0.95 121.20 123.95 2gi4 s ILE 4 Ca -0.02 -1.33 -0.26 0.00 -1.10 0.00 0.00 60.65 57.94 2gi4 s ILE 4 Cb -0.10 -1.83 0.01 0.00 -1.06 0.00 0.00 42.46 39.48 2gi4 s ILE 4 CO 0.01 -0.24 0.91 -0.22 -0.10 0.00 0.00 174.94 175.29 2gi4 s LEU 5 N 1.40 4.02 0.02 2.97 0.20 0.26 -0.36 118.68 127.20 2gi4 s LEU 5 Ca -0.01 0.65 -0.18 0.00 0.69 0.00 0.00 54.13 55.27 2gi4 s LEU 5 Cb -0.19 -3.24 -0.06 0.00 -0.43 0.00 0.00 46.19 42.27 2gi4 s LEU 5 CO -0.09 -0.80 0.52 -0.36 -0.29 0.00 0.00 176.35 175.34 2gi4 s PHE 6 N 3.35 3.74 -0.26 5.38 0.40 -0.12 -1.55 117.98 128.91 2gi4 s PHE 6 Ca 0.37 1.15 -0.02 0.00 -0.60 0.00 0.00 56.93 57.84 2gi4 s PHE 6 Cb -0.13 -2.47 0.08 0.00 0.51 0.00 0.00 43.02 41.02 2gi4 s PHE 6 CO 0.17 0.52 0.06 0.42 0.70 0.00 0.00 175.22 177.09 2gi4 s ILE 7 N -0.78 0.75 -0.19 0.64 1.01 -0.29 -0.59 121.20 121.76 2gi4 s ILE 7 Ca 0.28 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2gi4 s ILE 7 Cb -0.18 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 2gi4 s ILE 7 CO 0.16 -0.46 -0.10 0.00 0.00 0.00 0.00 174.94 174.54 2gi4 h LEU 9 N 7.74 0.00 -6.76 0.00 5.85 -1.88 -3.28 115.31 116.98 2gi4 h LEU 9 Ca -0.39 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.74 2gi4 h LEU 9 Cb 1.17 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.80 2gi4 h LEU 9 CO 0.60 0.00 -0.80 -0.83 -0.34 0.00 0.00 178.44 177.07 2gi4 s GLY 10 N -3.89 1.22 0.00 3.75 0.00 -1.26 -4.57 107.32 102.57 2gi4 s GLY 10 Ca -0.04 -2.19 -0.02 0.00 0.00 0.00 0.00 44.72 42.47 2gi4 s GLY 10 CO 0.57 1.85 2.53 -2.01 0.00 0.00 0.00 173.10 176.04 2gi4 n ASN 11 N 3.81 5.23 0.00 1.64 5.15 -1.24 -3.14 115.26 126.72 2gi4 n ASN 11 Ca 0.11 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.67 2gi4 n ASN 11 Cb 0.36 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 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 1.85 0.03 0.00 -1.44 -5.35 -1.26 -0.58 119.36 112.61 2gi4 n ILE 12 Ca 0.15 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 2gi4 n ILE 12 Cb 0.63 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 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 0.35 -0.37 0.00 2.43 -1.95 -3.29 114.38 111.55 2gi4 h ARG 14 Ca 0.00 -0.49 0.07 0.00 -0.81 0.00 0.00 59.98 58.74 2gi4 h ARG 14 Cb 0.00 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 2gi4 h ARG 14 CO 0.00 1.19 0.02 0.77 -1.51 0.00 0.00 179.97 180.44 2gi4 h SER 15 N -0.26 -0.12 -0.72 -3.80 0.02 -1.90 -2.63 113.55 104.14 2gi4 h SER 15 Ca -0.12 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2gi4 h SER 15 Cb 1.53 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 64.15 2gi4 h SER 15 CO 0.14 -0.02 0.41 -0.65 -1.14 0.00 0.00 176.83 175.57 2gi4 h PRO 16 N 0.12 0.74 0.55 3.45 0.11 -1.79 0.44 132.00 135.62 2gi4 h PRO 16 Ca 0.18 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 2gi4 h PRO 16 Cb 0.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2gi4 h PRO 16 CO -0.29 0.49 -0.43 1.98 -0.21 0.00 0.00 178.00 179.53 2gi4 h MET 17 N 0.76 -0.93 0.00 1.05 4.05 -1.54 -1.58 114.93 116.75 2gi4 h MET 17 Ca 0.32 0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.78 2gi4 h MET 17 Cb 0.19 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2gi4 h MET 17 CO -0.18 -0.62 -0.12 0.00 0.23 0.00 0.00 176.91 176.22 2gi4 h ALA 18 N -0.71 1.16 0.30 0.39 0.00 -1.37 -2.65 119.26 116.38 2gi4 h ALA 18 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gi4 h ALA 18 Cb 0.81 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2gi4 h ALA 18 CO 0.00 0.15 -0.35 1.49 0.00 0.00 0.00 179.25 180.54 2gi4 h GLU 19 N 0.00 -0.67 -0.07 0.00 4.57 0.85 0.41 114.58 119.67 2gi4 h GLU 19 Ca -0.00 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2gi4 h GLU 19 Cb 0.43 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2gi4 h GLU 19 CO 0.02 -0.45 -0.10 0.35 -1.18 0.00 0.00 179.01 177.65 2gi4 h PHE 20 N -0.70 0.23 0.37 0.92 3.57 -1.30 -2.31 116.94 117.72 2gi4 h PHE 20 Ca -0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2gi4 h PHE 20 Cb 0.65 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2gi4 h PHE 20 CO -0.23 0.67 -0.18 -0.84 -2.23 0.00 0.00 178.31 175.50 2gi4 h ILE 21 N -0.27 0.62 -0.03 1.41 3.07 -1.45 -2.29 117.51 118.57 2gi4 h ILE 21 Ca 0.01 -0.41 0.02 0.00 1.55 0.00 0.00 64.86 66.02 2gi4 h ILE 21 Cb 0.64 0.82 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 2gi4 h ILE 21 CO 0.02 0.08 -0.06 0.24 -1.05 0.00 0.00 178.15 177.38 2gi4 h MET 22 N -0.74 -0.09 -0.95 0.16 2.86 -0.30 -0.42 114.93 115.45 2gi4 h MET 22 Ca -0.05 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.77 2gi4 h MET 22 Cb 0.51 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 2gi4 h MET 22 CO 0.08 -0.06 0.60 -0.22 1.06 0.00 0.00 176.91 178.38 2gi4 h LYS 23 N -0.09 0.63 -0.16 1.72 3.64 -1.46 0.19 116.57 121.04 2gi4 h LYS 23 Ca 0.04 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2gi4 h LYS 23 Cb 0.14 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2gi4 h LYS 23 CO -0.09 0.42 -0.33 0.22 -2.27 0.00 0.00 179.45 177.40 2gi4 h ASP 24 N 0.65 0.57 -0.52 4.20 1.82 -0.78 -3.05 116.42 119.32 2gi4 h ASP 24 Ca 0.51 -0.55 -0.10 0.00 -0.39 0.00 0.00 57.03 56.49 2gi4 h ASP 24 Cb 0.92 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 2gi4 h ASP 24 CO -0.26 1.02 -0.07 0.25 -1.61 0.00 0.00 179.24 178.57 2gi4 h LEU 25 N 0.14 0.98 -1.15 2.28 6.46 0.23 -3.08 115.31 121.16 2gi4 h LEU 25 Ca 0.00 -0.30 -0.08 0.00 -0.12 0.00 0.00 57.88 57.38 2gi4 h LEU 25 Cb 0.93 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2gi4 h LEU 25 CO 0.07 1.07 -0.34 -0.37 -0.62 0.00 0.00 178.44 178.25 2gi4 h VAL 26 N 0.89 1.27 -0.23 1.05 -1.51 -0.74 -3.13 116.25 113.85 2gi4 h VAL 26 Ca 0.15 -1.29 0.06 0.00 -1.23 0.00 0.00 66.70 64.39 2gi4 h VAL 26 Cb 0.61 1.59 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 2gi4 h VAL 26 CO 0.04 0.38 -0.20 0.50 -1.23 0.00 0.00 177.57 177.06 2gi4 h LYS 27 N 0.13 -0.19 0.00 5.19 3.64 -1.44 1.50 116.57 125.40 2gi4 h LYS 27 Ca 0.02 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2gi4 h LYS 27 Cb 0.67 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2gi4 h LYS 27 CO 0.05 -0.13 -0.41 1.57 -2.27 0.00 0.00 179.45 178.26 2gi4 h LYS 28 N -0.20 0.00 0.00 1.90 5.09 -1.68 -2.85 116.57 118.83 2gi4 h LYS 28 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.85 2gi4 h LYS 28 Cb 0.40 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.69 2gi4 h LYS 28 CO -0.35 0.41 -0.48 0.00 -2.09 0.00 0.00 179.45 176.94 2gi4 n ALA 29 N -2.41 3.25 0.11 0.07 0.00 -0.77 -4.70 120.51 116.05 2gi4 n ALA 29 Ca -0.01 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.39 2gi4 n ALA 29 Cb 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.96 -1.89 0.32 0.00 4.13 0.50 -4.90 115.26 112.46 2gi4 n ASN 30 Ca 0.17 0.41 0.20 0.00 1.68 0.00 0.00 54.58 57.03 2gi4 n ASN 30 Cb 0.73 2.02 1.06 0.00 -1.54 0.00 0.00 39.78 42.05 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 -0.54 3.41 5.85 -1.07 -0.47 115.31 122.48 2gi4 h LEU 31 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2gi4 h LEU 31 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2gi4 h LEU 31 CO 0.00 0.01 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.31 2gi4 h GLU 32 N 0.00 0.64 -0.64 1.25 4.39 -1.77 -2.77 114.58 115.69 2gi4 h GLU 32 Ca -0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2gi4 h GLU 32 Cb 0.10 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2gi4 h GLU 32 CO 0.00 0.97 0.00 1.63 -1.16 0.00 0.00 179.01 180.45 2gi4 n LYS 33 N -4.00 3.52 -2.94 2.33 5.02 -0.35 -4.94 118.16 116.81 2gi4 n LYS 33 Ca -0.03 -2.46 -0.07 0.00 -2.02 0.00 0.00 58.31 53.73 2gi4 n LYS 33 Cb 0.56 -1.88 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.83 -1.59 -4.51 1.97 1.02 -0.88 -5.02 120.64 112.46 2gi4 n GLU 34 Ca 0.22 1.02 -0.34 0.00 -0.02 0.00 0.00 57.16 58.04 2gi4 n GLU 34 Cb 0.83 -5.21 -0.12 0.00 -0.02 0.00 0.00 31.44 26.91 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 -3.19 2.97 -0.18 -0.32 0.40 -0.33 -4.59 117.98 112.74 2gi4 s PHE 35 Ca 0.22 -0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 2gi4 s PHE 35 Cb -0.03 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 2gi4 s PHE 35 CO 0.64 -0.02 0.06 -0.06 0.70 0.00 0.00 175.22 176.54 2gi4 s PHE 36 N 0.19 3.25 -0.09 0.36 0.40 -0.61 -4.42 117.98 117.05 2gi4 s PHE 36 Ca -0.03 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2gi4 s PHE 36 Cb -0.14 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.36 2gi4 s PHE 36 CO 0.03 0.18 -0.01 0.96 0.70 0.00 0.00 175.22 177.08 2gi4 s ILE 37 N 0.28 0.51 0.48 0.64 -5.25 -1.26 -1.74 121.20 114.87 2gi4 s ILE 37 Ca 0.03 -0.03 0.08 0.00 -0.99 0.00 0.00 60.65 59.75 2gi4 s ILE 37 Cb -0.12 -0.68 0.03 0.00 2.95 0.00 0.00 42.46 44.64 2gi4 s ILE 37 CO 0.00 0.23 0.59 0.20 -1.79 0.00 0.00 174.94 174.18 2gi4 s ASN 38 N 1.91 5.25 -0.29 4.36 0.01 0.52 -4.94 114.94 121.77 2gi4 s ASN 38 Ca 0.04 -0.71 -0.16 0.00 -0.71 0.00 0.00 52.86 51.33 2gi4 s ASN 38 Cb -0.13 -0.20 0.11 0.00 0.41 0.00 0.00 41.25 41.44 2gi4 s ASN 38 CO -0.06 -0.98 0.83 -0.94 -1.51 0.00 0.00 177.10 174.44 2gi4 s SER 39 N -4.41 -0.74 0.34 -1.22 1.04 -1.26 -0.95 113.70 106.49 2gi4 s SER 39 Ca 0.54 1.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.00 2gi4 s SER 39 Cb -0.06 1.35 0.03 0.00 0.10 0.00 0.00 66.02 67.44 2gi4 s SER 39 CO 0.33 -0.18 0.68 0.00 0.98 0.00 0.00 173.24 175.05 2gi4 s ALA 40 N 1.58 -0.55 0.43 5.32 0.00 0.25 -4.78 121.76 124.01 2gi4 s ALA 40 Ca -0.09 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.16 2gi4 s ALA 40 Cb -0.05 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.93 2gi4 s ALA 40 CO -0.18 -0.95 0.59 0.20 0.00 0.00 0.00 175.76 175.42 2gi4 s GLY 41 N -3.05 1.94 0.15 0.00 0.00 -1.18 -1.54 107.32 103.64 2gi4 s GLY 41 Ca 0.18 -1.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.06 2gi4 s GLY 41 CO 0.11 -1.48 1.77 -0.84 0.00 0.00 0.00 173.10 172.67 2gi4 h THR 42 N 0.60 0.99 0.00 0.90 2.02 -1.81 -0.52 112.91 115.08 2gi4 h THR 42 Ca -0.40 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2gi4 h THR 42 Cb 1.28 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2gi4 h THR 42 CO 0.45 0.06 0.00 -0.24 0.37 0.00 0.00 175.52 176.17 2gi4 n SER 43 N -4.94 1.16 -2.12 4.18 2.88 -1.26 -4.56 113.62 108.96 2gi4 n SER 43 Ca 0.00 -1.29 -0.18 0.00 -1.33 0.00 0.00 58.87 56.07 2gi4 n SER 43 Cb 0.08 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.15 0.24 0.00 0.46 0.00 -1.24 -4.89 105.19 99.62 2gi4 n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gi4 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gi4 n GLU 45 N -2.70 0.00 -0.00 1.61 -0.58 -1.26 -4.51 120.64 113.20 2gi4 n GLU 45 Ca -0.20 0.23 0.03 0.00 -0.42 0.00 0.00 57.16 56.80 2gi4 n GLU 45 Cb 0.64 -1.20 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 2gi4 n GLU 45 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2gi4 n HIS 46 N -1.14 0.00 -1.50 -0.32 1.44 -1.26 -4.99 115.22 107.45 2gi4 n HIS 46 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 2gi4 n HIS 46 Cb 0.00 -0.09 -0.13 0.00 0.12 0.00 0.00 29.99 29.89 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 -1.52 0.64 0.00 4.39 8.00 -1.26 -1.49 116.55 125.31 2gi4 n ASP 47 Ca -0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2gi4 n ASP 47 Cb 0.13 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 6.44 0.84 0.32 0.44 0.00 0.26 -1.62 105.19 111.87 2gi4 n GLY 48 Ca 0.61 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.64 2gi4 n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gi4 h GLU 49 N 0.00 0.77 -5.28 1.61 4.57 -1.32 -2.56 114.58 112.37 2gi4 h GLU 49 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2gi4 h GLU 49 Cb 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2gi4 h GLU 49 CO 0.00 0.54 -0.25 0.41 -1.18 0.00 0.00 179.01 178.54 2gi4 n GLY 50 N -1.35 -1.26 3.15 1.92 0.00 -1.10 -4.84 105.19 101.70 2gi4 n GLY 50 Ca 0.05 0.85 0.05 0.00 0.00 0.00 0.00 46.02 46.97 2gi4 n GLY 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gi4 s MET 51 N -2.79 0.22 -0.03 1.61 0.00 0.11 -4.91 119.30 113.51 2gi4 s MET 51 Ca 0.12 0.31 -0.29 0.00 0.00 0.00 0.00 55.69 55.83 2gi4 s MET 51 Cb -0.03 0.16 0.09 0.00 0.00 0.00 0.00 34.83 35.04 2gi4 s MET 51 CO 0.74 -0.33 0.76 -1.01 0.00 0.00 0.00 175.02 175.18 2gi4 s HIS 52 N 2.94 -0.54 1.11 4.11 3.76 -0.63 -4.76 115.29 121.29 2gi4 s HIS 52 Ca 0.13 0.77 -0.20 0.00 -0.15 0.00 0.00 55.06 55.61 2gi4 s HIS 52 Cb -0.07 0.46 0.08 0.00 1.11 0.00 0.00 32.58 34.16 2gi4 s HIS 52 CO -0.18 -0.59 -0.17 0.66 -0.85 0.00 0.00 174.74 173.62 2gi4 n TYR 53 N 0.50 -1.40 0.00 1.40 4.01 -1.26 -2.03 117.16 118.38 2gi4 n TYR 53 Ca -0.16 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2gi4 n TYR 53 Cb 0.59 -1.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 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 2.19 1.56 0.10 2.72 0.00 -1.26 -4.07 105.19 106.42 2gi4 n GLY 54 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.89 -0.20 2.61 1.35 -1.75 -0.78 112.91 115.02 2gi4 h THR 55 Ca 0.00 -0.01 0.02 0.00 -0.55 0.00 0.00 66.41 65.87 2gi4 h THR 55 Cb 0.00 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2gi4 h THR 55 CO 0.00 0.00 0.05 0.50 -0.25 0.00 0.00 175.52 175.82 2gi4 h LYS 56 N -0.16 0.13 -0.86 4.72 3.64 -1.55 -0.28 116.57 122.22 2gi4 h LYS 56 Ca -0.02 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2gi4 h LYS 56 Cb 0.12 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 2gi4 h LYS 56 CO 0.03 0.09 0.48 -0.97 -2.27 0.00 0.00 179.45 176.81 2gi4 h ASN 57 N 0.14 0.66 -0.38 4.20 -1.24 -1.74 -1.28 115.58 115.95 2gi4 h ASN 57 Ca 0.09 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.08 2gi4 h ASN 57 Cb 0.07 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2gi4 h ASN 57 CO -0.11 0.35 -0.08 0.50 -1.29 0.00 0.00 177.43 176.80 2gi4 h LYS 58 N 0.76 0.72 0.07 6.67 3.64 -0.52 -1.41 116.57 126.51 2gi4 h LYS 58 Ca 0.43 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2gi4 h LYS 58 Cb 0.48 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2gi4 h LYS 58 CO -0.29 0.86 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.49 2gi4 h LEU 59 N 0.52 -0.55 -1.80 5.20 3.38 -0.08 -0.52 115.31 121.47 2gi4 h LEU 59 Ca 0.10 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2gi4 h LEU 59 Cb 0.59 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2gi4 h LEU 59 CO 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 178.44 178.29 2gi4 h ALA 60 N 0.50 1.84 -0.28 1.53 0.00 -1.26 0.46 119.26 122.04 2gi4 h ALA 60 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2gi4 h ALA 60 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2gi4 h ALA 60 CO -0.13 0.12 -0.14 0.37 0.00 0.00 0.00 179.25 179.47 2gi4 h GLN 61 N 0.12 0.48 0.00 0.00 4.15 0.01 -3.44 115.11 116.43 2gi4 h GLN 61 Ca 0.03 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2gi4 h GLN 61 Cb 0.09 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2gi4 h GLN 61 CO 0.00 0.62 0.00 1.47 -1.93 0.00 0.00 178.83 178.99 2gi4 n LEU 62 N -4.19 0.00 0.00 -2.39 -0.00 -0.43 -5.08 117.00 104.90 2gi4 n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2gi4 n LEU 62 Cb 0.33 0.26 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2gi4 n LEU 62 CO 0.40 -0.36 0.00 0.59 -0.00 0.00 0.00 177.39 178.03 2gi4 n ASN 63 N -2.22 0.00 -4.42 1.45 3.02 0.15 -5.01 115.26 108.24 2gi4 n ASN 63 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2gi4 n ASN 63 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.00 3.55 -2.00 2.41 -1.09 -1.21 -4.44 121.20 118.42 2gi4 s ILE 64 Ca 0.00 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 2gi4 s ILE 64 Cb 0.00 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.33 2gi4 s ILE 64 CO 0.00 0.49 0.30 -0.62 -1.23 0.00 0.00 174.94 173.88 2gi4 n GLU 65 N 3.80 0.29 -4.35 2.79 1.02 -1.26 -4.68 120.64 118.24 2gi4 n GLU 65 Ca -0.18 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.70 2gi4 n GLU 65 Cb 0.52 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.83 2gi4 n GLU 65 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2gi4 s HIS 66 N -2.00 2.49 0.24 -0.32 3.76 -1.26 -5.01 115.29 113.19 2gi4 s HIS 66 Ca 0.00 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 2gi4 s HIS 66 Cb 0.00 -1.20 0.03 0.00 1.11 0.00 0.00 32.58 32.52 2gi4 s HIS 66 CO 0.00 0.53 0.64 -1.59 -0.85 0.00 0.00 174.74 173.47 2gi4 s LYS 67 N -2.89 1.58 -0.58 1.40 0.00 -1.26 -4.94 119.74 113.05 2gi4 s LYS 67 Ca 0.24 -0.87 -0.26 0.00 0.00 0.00 0.00 55.97 55.08 2gi4 s LYS 67 Cb -0.08 0.58 -0.07 0.00 0.00 0.00 0.00 37.83 38.26 2gi4 s LYS 67 CO 0.14 -0.71 2.27 1.21 0.00 0.00 0.00 175.35 178.26 2gi4 s ASN 68 N -2.88 4.56 -0.89 0.03 3.04 -1.26 -4.89 114.94 112.65 2gi4 s ASN 68 Ca 0.09 0.71 -0.23 0.00 0.04 0.00 0.00 52.86 53.47 2gi4 s ASN 68 Cb -0.04 -2.52 0.06 0.00 -1.54 0.00 0.00 41.25 37.22 2gi4 s ASN 68 CO 0.01 -2.91 1.30 -0.36 -3.04 0.00 0.00 177.10 172.11 2gi4 s PHE 69 N 11.82 2.56 -0.28 0.43 0.08 -1.26 -4.86 117.98 126.47 2gi4 s PHE 69 Ca 0.89 -0.67 -0.00 0.00 0.12 0.00 0.00 56.93 57.27 2gi4 s PHE 69 Cb -0.15 -4.58 0.14 0.00 -0.57 0.00 0.00 43.02 37.86 2gi4 s PHE 69 CO 0.21 -1.88 0.34 -0.08 -0.10 0.00 0.00 175.22 173.71 2gi4 s THR 70 N 4.77 -0.50 -0.44 0.64 -1.32 -0.96 -5.00 115.64 112.82 2gi4 s THR 70 Ca 0.38 -0.34 -0.27 0.00 -1.21 0.00 0.00 61.69 60.26 2gi4 s THR 70 Cb -0.05 -0.94 -0.05 0.00 -1.51 0.00 0.00 72.50 69.95 2gi4 s THR 70 CO -0.01 -0.34 2.24 -0.55 -2.21 0.00 0.00 174.62 173.75 2gi4 s SER 71 N 2.44 4.88 0.10 8.08 0.15 -1.26 -4.41 113.70 123.70 2gi4 s SER 71 Ca 0.10 1.16 0.03 0.00 0.70 0.00 0.00 55.95 57.94 2gi4 s SER 71 Cb -0.14 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 2gi4 s SER 71 CO -0.28 -2.52 0.12 -0.54 1.20 0.00 0.00 173.24 171.22 2gi4 s LYS 72 N 7.48 2.99 -0.30 5.44 -0.14 -0.64 -4.96 119.74 129.61 2gi4 s LYS 72 Ca 0.92 -0.70 -0.02 0.00 -1.36 0.00 0.00 55.97 54.81 2gi4 s LYS 72 Cb -0.20 -2.76 0.10 0.00 -1.68 0.00 0.00 37.83 33.29 2gi4 s LYS 72 CO 0.28 0.55 0.11 0.21 -0.76 0.00 0.00 175.35 175.73 2gi4 s LYS 73 N -2.64 0.48 0.17 1.68 2.20 -1.26 -3.08 119.74 117.29 2gi4 s LYS 73 Ca 0.31 -0.81 -0.33 0.00 -0.36 0.00 0.00 55.97 54.77 2gi4 s LYS 73 Cb -0.12 -1.64 -0.13 0.00 -1.51 0.00 0.00 37.83 34.43 2gi4 s LYS 73 CO 0.23 -0.99 1.62 -0.11 -0.36 0.00 0.00 175.35 175.75 2gi4 n LEU 74 N 5.03 3.35 0.00 5.43 7.94 -0.20 -4.86 117.00 133.68 2gi4 n LEU 74 Ca -0.04 1.07 -0.22 0.00 -1.11 0.00 0.00 56.01 55.72 2gi4 n LEU 74 Cb 0.42 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.83 2gi4 n LEU 74 CO 0.08 -0.16 -0.12 0.35 -1.11 0.00 0.00 177.39 176.43 2gi4 n THR 75 N 3.60 0.00 -0.02 1.96 -2.24 -1.26 -4.74 114.28 111.58 2gi4 n THR 75 Ca 0.17 -2.36 -0.10 0.00 -2.27 0.00 0.00 64.05 59.49 2gi4 n THR 75 Cb 0.30 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 2gi4 n THR 75 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2gi4 h GLN 76 N 0.00 0.62 -0.70 -0.78 4.15 -1.93 -2.31 115.11 114.16 2gi4 h GLN 76 Ca -0.26 -0.37 0.02 0.00 0.77 0.00 0.00 58.65 58.80 2gi4 h GLN 76 Cb 1.18 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 2gi4 h GLN 76 CO 0.40 0.98 0.45 -0.22 -1.93 0.00 0.00 178.83 178.51 2gi4 h LYS 77 N 0.49 0.88 -0.25 1.69 3.11 -1.99 -0.65 116.57 119.85 2gi4 h LYS 77 Ca 0.02 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.67 2gi4 h LYS 77 Cb 1.05 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2gi4 h LYS 77 CO 0.10 0.58 -0.36 1.25 -2.81 0.00 0.00 179.45 178.21 2gi4 h LEU 78 N 0.91 0.75 -1.10 5.20 7.12 -1.94 -3.16 115.31 123.09 2gi4 h LEU 78 Ca 0.26 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2gi4 h LEU 78 Cb -0.06 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 39.82 2gi4 h LEU 78 CO -0.08 1.12 0.55 0.00 -0.13 0.00 0.00 178.44 179.90 2gi4 h ASP 80 N 1.19 0.00 0.00 0.00 3.32 -1.09 -3.10 116.42 116.74 2gi4 h ASP 80 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2gi4 h ASP 80 Cb -0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2gi4 h ASP 80 CO -0.06 0.02 -0.37 -0.33 -1.72 0.00 0.00 179.24 176.77 2gi4 h GLU 81 N 0.00 0.00 -6.81 3.56 4.39 -1.16 -3.47 114.58 111.09 2gi4 h GLU 81 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2gi4 h GLU 81 Cb 0.10 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.87 2gi4 h GLU 81 CO 0.00 0.18 0.48 -1.13 -1.16 0.00 0.00 179.01 177.38 2gi4 n SER 82 N -4.65 2.53 0.05 1.42 3.41 -0.81 -4.84 113.62 110.73 2gi4 n SER 82 Ca -0.07 1.12 0.11 0.00 -0.26 0.00 0.00 58.87 59.77 2gi4 n SER 82 Cb 0.23 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.66 2gi4 n SER 82 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gi4 n ASP 83 N 0.30 0.56 -3.79 4.04 -0.08 -0.12 -4.85 116.55 112.61 2gi4 n ASP 83 Ca 0.06 0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 53.16 2gi4 n ASP 83 Cb 0.39 0.94 -0.17 0.00 2.34 0.00 0.00 41.12 44.62 2gi4 n ASP 83 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2gi4 s PHE 84 N -3.33 0.70 -0.06 -0.67 0.08 -0.68 -5.01 117.98 109.01 2gi4 s PHE 84 Ca -0.01 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 2gi4 s PHE 84 Cb 0.12 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 2gi4 s PHE 84 CO 0.82 -0.32 0.08 -0.51 -0.10 0.00 0.00 175.22 175.19 2gi4 s LEU 85 N 1.84 3.94 -0.06 -0.37 1.02 -0.44 -0.57 118.68 124.04 2gi4 s LEU 85 Ca 0.03 0.23 0.01 0.00 0.02 0.00 0.00 54.13 54.42 2gi4 s LEU 85 Cb -0.12 -2.11 0.02 0.00 0.02 0.00 0.00 46.19 44.00 2gi4 s LEU 85 CO -0.05 0.34 -0.08 -0.63 0.02 0.00 0.00 176.35 175.95 2gi4 s ILE 86 N -1.07 0.81 -0.08 -0.59 -1.09 -0.60 -0.92 121.20 117.67 2gi4 s ILE 86 Ca 0.18 -0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 2gi4 s ILE 86 Cb -0.12 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 2gi4 s ILE 86 CO 0.08 0.29 -0.15 0.35 -1.23 0.00 0.00 174.94 174.28 2gi4 n THR 87 N 4.08 0.66 0.00 2.92 -2.24 -0.89 -1.13 114.28 117.68 2gi4 n THR 87 Ca -0.22 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2gi4 n THR 87 Cb 0.51 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 -3.36 0.00 -2.82 -0.78 2.81 -1.24 -4.55 117.12 107.18 2gi4 n MET 88 Ca -0.06 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 2gi4 n MET 88 Cb 0.23 -0.05 -0.06 0.00 -0.71 0.00 0.00 33.22 32.63 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 7.52 0.07 7.83 1.11 -1.26 -4.40 116.67 127.53 2gi4 s ASP 89 Ca 0.00 1.80 -0.35 0.00 0.18 0.00 0.00 52.55 54.18 2gi4 s ASP 89 Cb 0.00 -2.57 -0.20 0.00 1.07 0.00 0.00 42.92 41.23 2gi4 s ASP 89 CO 0.00 0.11 1.60 -1.13 1.18 0.00 0.00 175.17 176.93 2gi4 h ASN 90 N 4.66 -0.94 -0.83 0.27 -0.73 -1.92 -2.43 115.58 113.66 2gi4 h ASN 90 Ca -0.45 0.03 0.03 0.00 1.87 0.00 0.00 56.30 57.79 2gi4 h ASN 90 Cb 1.20 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 40.00 2gi4 h ASN 90 CO 0.69 -0.66 0.55 0.28 -0.37 0.00 0.00 177.43 177.91 2gi4 h SER 91 N -1.09 0.90 0.02 1.15 0.02 -2.00 -1.22 113.55 111.33 2gi4 h SER 91 Ca -0.11 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2gi4 h SER 91 Cb 0.84 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2gi4 h SER 91 CO 0.17 0.63 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.35 2gi4 h ASN 92 N 1.05 0.00 0.64 3.07 -0.73 -1.91 -0.56 115.58 117.14 2gi4 h ASN 92 Ca 0.33 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.46 2gi4 h ASN 92 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 2gi4 h ASN 92 CO -0.09 0.01 -0.31 0.15 -0.37 0.00 0.00 177.43 176.82 2gi4 h PHE 93 N 0.00 -0.80 -0.32 0.67 3.57 -0.72 0.13 116.94 119.46 2gi4 h PHE 93 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2gi4 h PHE 93 Cb 0.03 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2gi4 h PHE 93 CO 0.00 -0.50 0.05 1.57 -2.23 0.00 0.00 178.31 177.20 2gi4 h LYS 94 N -1.11 0.48 0.30 1.11 2.10 -1.54 -2.11 116.57 115.80 2gi4 h LYS 94 Ca -0.09 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 2gi4 h LYS 94 Cb 0.66 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2gi4 h LYS 94 CO 0.15 0.47 -0.14 -0.91 -2.00 0.00 0.00 179.45 177.01 2gi4 h ASN 95 N 0.47 -0.34 -0.31 7.07 2.35 -1.11 -2.98 115.58 120.73 2gi4 h ASN 95 Ca 0.11 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2gi4 h ASN 95 Cb 0.23 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2gi4 h ASN 95 CO 0.00 0.00 0.22 0.58 -1.65 0.00 0.00 177.43 176.59 2gi4 h VAL 96 N -0.72 0.84 -0.66 2.81 2.07 -0.84 0.90 116.25 120.65 2gi4 h VAL 96 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2gi4 h VAL 96 Cb 0.49 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 2gi4 h VAL 96 CO 0.07 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.65 2gi4 h LEU 97 N 0.00 -0.18 0.00 2.57 4.07 -1.22 -1.90 115.31 118.65 2gi4 h LEU 97 Ca 0.15 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2gi4 h LEU 97 Cb 0.59 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2gi4 h LEU 97 CO -0.00 -0.09 -1.09 0.29 -1.08 0.00 0.00 178.44 176.46 2gi4 n LYS 98 N -5.24 1.07 0.00 1.13 5.02 -0.89 -4.30 118.16 114.95 2gi4 n LYS 98 Ca 0.11 -0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 2gi4 n LYS 98 Cb 0.39 -1.35 0.66 0.00 -0.02 0.00 0.00 35.03 34.71 2gi4 n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gi4 n ASN 99 N -1.61 0.00 -3.95 4.39 4.13 0.26 -4.85 115.26 113.63 2gi4 n ASN 99 Ca 0.01 0.10 -0.24 0.00 1.68 0.00 0.00 54.58 56.13 2gi4 n ASN 99 Cb 0.32 -0.36 -0.08 0.00 -1.54 0.00 0.00 39.78 38.12 2gi4 n ASN 99 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2gi4 s PHE 100 N -2.71 1.76 0.00 3.10 0.08 -0.77 -4.91 117.98 114.53 2gi4 s PHE 100 Ca 0.22 -1.37 0.00 0.00 0.12 0.00 0.00 56.93 55.90 2gi4 s PHE 100 Cb 0.18 -1.03 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 2gi4 s PHE 100 CO 0.45 -0.44 0.00 0.25 -0.10 0.00 0.00 175.22 175.38 2gi4 n THR 101 N -0.81 0.00 0.85 0.64 -2.24 -1.26 -4.87 114.28 106.59 2gi4 n THR 101 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2gi4 n THR 101 Cb 0.64 -1.69 0.30 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.88 0.00 -0.74 3.42 4.13 -1.26 -2.24 115.26 115.69 2gi4 n ASN 102 Ca 0.00 -0.54 0.07 0.00 1.68 0.00 0.00 54.58 55.79 2gi4 n ASN 102 Cb 0.00 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.44 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2gi4 n THR 103 N -0.87 0.51 0.15 3.41 5.66 -1.26 -4.14 114.28 117.74 2gi4 n THR 103 Ca 0.08 -0.53 0.03 0.00 -3.05 0.00 0.00 64.05 60.58 2gi4 n THR 103 Cb 0.03 0.29 0.14 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.67 0.02 0.00 1.09 0.00 -0.95 -1.68 117.38 116.52 2gi4 n GLN 104 Ca 0.14 0.45 0.10 0.00 0.00 0.00 0.00 57.00 57.69 2gi4 n GLN 104 Cb 0.35 -1.55 0.59 0.00 0.00 0.00 0.00 30.24 29.63 2gi4 n GLN 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2gi4 n ASN 105 N -1.58 0.00 -1.52 2.61 5.15 -1.26 -2.34 115.26 116.32 2gi4 n ASN 105 Ca 0.01 -0.55 0.10 0.00 -0.60 0.00 0.00 54.58 53.54 2gi4 n ASN 105 Cb 0.05 -0.04 0.35 0.00 -0.53 0.00 0.00 39.78 39.61 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2gi4 n LYS 106 N -1.04 3.36 -3.97 1.20 5.02 -0.68 -4.94 118.16 117.11 2gi4 n LYS 106 Ca 0.15 -2.81 -0.34 0.00 -2.02 0.00 0.00 58.31 53.29 2gi4 n LYS 106 Cb 0.08 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 2gi4 n LYS 106 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gi4 s VAL 107 N -1.52 5.20 0.11 -0.18 1.01 -0.99 -1.32 120.40 122.72 2gi4 s VAL 107 Ca 0.51 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.35 2gi4 s VAL 107 Cb 0.30 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2gi4 s VAL 107 CO 0.29 0.37 0.03 -0.76 0.00 0.00 0.00 175.10 175.02 2gi4 s LEU 108 N -1.75 3.52 0.06 3.92 1.02 -0.10 -4.97 118.68 120.38 2gi4 s LEU 108 Ca 0.24 -0.19 0.09 0.00 0.02 0.00 0.00 54.13 54.29 2gi4 s LEU 108 Cb -0.12 -2.21 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 2gi4 s LEU 108 CO 0.15 0.15 -0.26 -0.54 0.02 0.00 0.00 176.35 175.87 2gi4 s LYS 109 N -2.53 1.72 0.00 1.70 1.02 -1.26 -2.10 119.74 118.30 2gi4 s LYS 109 Ca 0.27 -1.13 0.29 0.00 0.02 0.00 0.00 55.97 55.42 2gi4 s LYS 109 Cb -0.11 -1.94 1.20 0.00 -0.52 0.00 0.00 37.83 36.46 2gi4 s LYS 109 CO 0.19 0.50 1.85 1.51 -0.92 0.00 0.00 175.35 178.48 2gi4 n ILE 110 N 1.67 0.00 -0.05 2.17 0.13 -1.26 -3.85 119.36 118.17 2gi4 n ILE 110 Ca -0.17 -0.05 0.07 0.00 -1.10 0.00 0.00 62.75 61.50 2gi4 n ILE 110 Cb 0.52 -0.13 0.44 0.00 -0.84 0.00 0.00 39.64 39.62 2gi4 n ILE 110 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 2gi4 h THR 111 N 0.44 1.03 0.00 9.51 2.02 -1.87 1.12 112.91 125.16 2gi4 h THR 111 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2gi4 h THR 111 Cb 0.37 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2gi4 h THR 111 CO 0.00 0.10 -0.14 -0.78 0.37 0.00 0.00 175.52 175.07 2gi4 h ASP 112 N 0.54 0.00 -0.08 4.18 3.58 -2.02 -3.27 116.42 119.35 2gi4 h ASP 112 Ca 0.21 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2gi4 h ASP 112 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2gi4 h ASP 112 CO -0.05 0.02 0.00 0.49 -2.88 0.00 0.00 179.24 176.81 2gi4 n PHE 113 N -2.36 0.11 -3.37 0.28 3.72 -0.05 -4.81 117.46 110.98 2gi4 n PHE 113 Ca 0.05 -0.42 -0.26 0.00 -0.05 0.00 0.00 57.45 56.77 2gi4 n PHE 113 Cb 0.45 -0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 38.86 2gi4 n PHE 113 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2gi4 n SER 114 N -0.15 0.53 0.00 4.37 2.88 0.37 -4.92 113.62 116.70 2gi4 n SER 114 Ca 0.03 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2gi4 n SER 114 Cb 0.26 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2gi4 n SER 114 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2gi4 n PRO 115 N 2.02 0.00 0.00 -1.46 -0.04 -1.26 -3.91 135.00 130.35 2gi4 n PRO 115 Ca 0.26 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 2gi4 n PRO 115 Cb 0.48 -0.66 0.38 0.00 -0.04 0.00 0.00 33.50 33.67 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 -1.15 0.00 -0.06 3.54 7.64 -1.26 -2.87 113.62 119.46 2gi4 n SER 116 Ca 0.00 -0.39 -0.18 0.00 1.01 0.00 0.00 58.87 59.32 2gi4 n SER 116 Cb 0.00 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.06 2gi4 n SER 116 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2gi4 h LEU 117 N 0.00 0.09 -1.90 -3.43 3.38 -1.97 -3.48 115.31 108.01 2gi4 h LEU 117 Ca 0.00 -0.84 -0.52 0.00 0.09 0.00 0.00 57.88 56.61 2gi4 h LEU 117 Cb 0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2gi4 h LEU 117 CO 0.00 1.24 -0.90 -3.20 0.09 0.00 0.00 178.44 175.68 2gi4 n ASN 118 N -4.44 -0.25 -4.90 -0.43 4.05 -1.14 -4.94 115.26 103.21 2gi4 n ASN 118 Ca -0.18 -1.04 -0.28 0.00 0.45 0.00 0.00 54.58 53.52 2gi4 n ASN 118 Cb 0.62 -2.84 0.03 0.00 1.23 0.00 0.00 39.78 38.81 2gi4 n ASN 118 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2gi4 s TYR 119 N -3.99 3.35 -0.28 1.20 1.13 -1.26 -5.08 117.35 112.42 2gi4 s TYR 119 Ca 0.03 0.85 -0.01 0.00 -1.41 0.00 0.00 57.07 56.54 2gi4 s TYR 119 Cb -0.02 -2.78 0.09 0.00 -1.10 0.00 0.00 41.96 38.15 2gi4 s TYR 119 CO 0.91 -0.85 0.07 -0.51 -2.51 0.00 0.00 175.55 172.66 2gi4 s ASP 120 N -4.28 3.80 0.00 -0.18 1.11 -1.26 -4.93 116.67 110.92 2gi4 s ASP 120 Ca 0.54 -1.43 0.00 0.00 0.18 0.00 0.00 52.55 51.84 2gi4 s ASP 120 Cb -0.11 -0.87 0.00 0.00 1.07 0.00 0.00 42.92 43.01 2gi4 s ASP 120 CO 0.48 -0.37 0.00 -0.62 1.18 0.00 0.00 175.17 175.84 2gi4 n GLU 121 N 4.85 -0.51 -1.56 8.23 4.71 -1.26 -4.63 120.64 130.46 2gi4 n GLU 121 Ca -0.04 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 2gi4 n GLU 121 Cb 0.43 -0.43 0.00 0.00 -1.01 0.00 0.00 31.44 30.44 2gi4 n GLU 121 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2gi4 n VAL 122 N 1.54 -5.14 0.00 2.62 0.31 -1.26 -4.96 118.33 111.45 2gi4 n VAL 122 Ca 0.00 2.30 0.00 0.00 -0.01 0.00 0.00 64.34 66.63 2gi4 n VAL 122 Cb 0.06 -3.15 0.00 0.00 -0.91 0.00 0.00 33.84 29.85 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 -0.38 0.25 -0.76 5.55 -0.02 -1.26 -4.71 135.00 133.67 2gi4 n PRO 123 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 2gi4 n PRO 123 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 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 -4.09 0.30 2.55 -0.08 -1.25 -3.64 116.55 110.33 2gi4 n ASP 124 Ca 0.00 0.85 0.16 0.00 -1.51 0.00 0.00 54.79 54.29 2gi4 n ASP 124 Cb 0.00 -2.22 0.93 0.00 2.34 0.00 0.00 41.12 42.17 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 -0.25 0.00 0.00 -0.67 0.13 -1.57 -1.23 132.00 128.41 2gi4 h PRO 125 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2gi4 h PRO 125 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 2gi4 h PRO 125 CO 0.02 0.02 -0.33 2.35 -0.23 0.00 0.00 178.00 179.83 2gi4 h TRP 126 N 0.00 0.00 0.00 1.56 2.91 -1.88 -2.33 115.95 116.21 2gi4 h TRP 126 Ca -0.00 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.89 2gi4 h TRP 126 Cb 0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 2gi4 h TRP 126 CO 0.00 0.33 -1.26 0.66 -1.03 0.00 0.00 178.44 177.14 2gi4 n TYR 127 N -3.89 0.35 -0.10 2.65 4.01 -0.70 -4.86 117.16 114.62 2gi4 n TYR 127 Ca -0.02 0.15 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 2gi4 n TYR 127 Cb 0.40 -0.75 -0.05 0.00 -0.31 0.00 0.00 39.34 38.64 2gi4 n TYR 127 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2gi4 n SER 128 N -4.45 1.91 0.00 7.72 3.41 -0.55 -5.03 113.62 116.63 2gi4 n SER 128 Ca -0.24 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2gi4 n SER 128 Cb 0.56 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2gi4 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gi4 n GLY 129 N 1.45 -0.96 3.09 5.00 0.00 -0.88 -4.96 105.19 107.94 2gi4 n GLY 129 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.22 -0.10 1.61 2.47 -1.26 -4.69 114.94 114.20 2gi4 s ASN 130 Ca 0.00 -0.45 -0.26 0.00 0.42 0.00 0.00 52.86 52.57 2gi4 s ASN 130 Cb 0.00 -0.05 -0.27 0.00 -1.45 0.00 0.00 41.25 39.48 2gi4 s ASN 130 CO 0.00 -0.06 0.85 -0.26 -3.72 0.00 0.00 177.10 173.91 2gi4 h PHE 131 N 4.88 0.21 -0.01 0.43 -1.00 -1.91 -1.66 116.94 117.88 2gi4 h PHE 131 Ca -0.36 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2gi4 h PHE 131 Cb 1.19 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 2gi4 h PHE 131 CO 0.56 1.09 0.03 -0.44 -1.61 0.00 0.00 178.31 177.94 2gi4 h ASP 132 N -0.73 0.00 -0.71 2.17 3.32 -1.97 -1.93 116.42 116.57 2gi4 h ASP 132 Ca -0.05 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.13 2gi4 h ASP 132 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 2gi4 h ASP 132 CO 0.06 0.00 0.48 -0.08 -1.72 0.00 0.00 179.24 177.97 2gi4 h GLU 133 N 0.00 0.41 -0.80 3.56 4.57 -1.94 0.54 114.58 120.91 2gi4 h GLU 133 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2gi4 h GLU 133 Cb 0.07 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2gi4 h GLU 133 CO -0.00 0.27 0.53 1.79 -1.18 0.00 0.00 179.01 180.42 2gi4 h THR 134 N 0.42 1.19 -0.25 0.32 1.35 -1.54 -1.47 112.91 112.93 2gi4 h THR 134 Ca 0.34 -0.36 -0.06 0.00 -0.55 0.00 0.00 66.41 65.77 2gi4 h THR 134 Cb 0.76 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2gi4 h THR 134 CO -0.11 0.19 -0.09 0.22 -0.25 0.00 0.00 175.52 175.48 2gi4 h TYR 135 N 1.06 0.58 -0.18 4.73 3.20 -1.09 0.37 116.97 125.64 2gi4 h TYR 135 Ca 0.30 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2gi4 h TYR 135 Cb -0.08 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 2gi4 h TYR 135 CO -0.00 0.75 0.05 0.87 -1.64 0.00 0.00 178.16 178.19 2gi4 h LYS 136 N 0.24 0.12 0.22 1.82 1.79 -1.07 -0.59 116.57 119.10 2gi4 h LYS 136 Ca 0.06 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2gi4 h LYS 136 Cb 0.58 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2gi4 h LYS 136 CO 0.03 0.08 -0.10 0.82 -1.08 0.00 0.00 179.45 179.20 2gi4 h ILE 137 N 0.13 0.82 -0.68 1.86 1.08 -1.29 -2.57 117.51 116.87 2gi4 h ILE 137 Ca 0.08 -0.86 0.12 0.00 -0.39 0.00 0.00 64.86 63.81 2gi4 h ILE 137 Cb 0.06 1.28 -0.09 0.00 -3.07 0.00 0.00 36.82 35.00 2gi4 h ILE 137 CO -0.09 0.17 0.22 0.25 -0.69 0.00 0.00 178.15 178.01 2gi4 h LEU 138 N -0.77 0.16 0.53 1.44 7.12 -0.91 0.19 115.31 123.06 2gi4 h LEU 138 Ca -0.03 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 2gi4 h LEU 138 Cb 0.51 0.11 0.01 0.00 -0.53 0.00 0.00 40.66 40.75 2gi4 h LEU 138 CO 0.05 0.07 -0.25 -1.28 -0.13 0.00 0.00 178.44 176.89 2gi4 h SER 139 N 0.36 -0.60 0.62 1.25 0.87 -1.16 0.05 113.55 114.94 2gi4 h SER 139 Ca 0.36 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2gi4 h SER 139 Cb 0.53 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2gi4 h SER 139 CO -0.39 -0.37 -0.38 -0.07 -0.53 0.00 0.00 176.83 175.09 2gi4 h LEU 140 N -0.80 -0.95 -0.72 2.23 -0.00 -1.04 -1.78 115.31 112.25 2gi4 h LEU 140 Ca -0.07 0.05 0.11 0.00 -0.00 0.00 0.00 57.88 57.97 2gi4 h LEU 140 Cb 0.58 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 41.44 2gi4 h LEU 140 CO 0.12 -0.59 0.34 0.00 -0.00 0.00 0.00 178.44 178.31 2gi4 h ALA 141 N -0.64 1.01 -0.56 1.53 0.00 -0.70 -0.01 119.26 119.90 2gi4 h ALA 141 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2gi4 h ALA 141 Cb 0.76 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2gi4 h ALA 141 CO 0.08 -0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.61 2gi4 h LYS 143 N 0.72 -0.59 -0.56 0.00 1.63 -0.13 -1.03 116.57 116.60 2gi4 h LYS 143 Ca 0.21 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.17 2gi4 h LYS 143 Cb -0.02 0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 31.64 2gi4 h LYS 143 CO -0.05 -0.39 -0.08 -0.91 -3.45 0.00 0.00 179.45 174.56 2gi4 h ASN 144 N -0.98 -0.41 -0.78 4.20 2.35 -1.20 0.47 115.58 119.23 2gi4 h ASN 144 Ca -0.06 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2gi4 h ASN 144 Cb 0.47 0.31 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 2gi4 h ASN 144 CO 0.10 -0.15 0.50 0.25 -1.65 0.00 0.00 177.43 176.48 2gi4 h LEU 145 N 0.04 0.91 -1.35 1.61 7.12 -1.25 -1.84 115.31 120.55 2gi4 h LEU 145 Ca 0.28 -0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.31 2gi4 h LEU 145 Cb 0.43 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 2gi4 h LEU 145 CO -0.54 0.67 0.48 0.25 -0.13 0.00 0.00 178.44 179.18 2gi4 h LEU 146 N 1.06 0.69 0.52 2.25 5.85 0.44 0.16 115.31 126.28 2gi4 h LEU 146 Ca 0.28 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2gi4 h LEU 146 Cb -0.10 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.79 2gi4 h LEU 146 CO -0.06 0.45 -0.25 0.58 -0.34 0.00 0.00 178.44 178.82 2gi4 h VAL 147 N 0.79 0.30 0.42 1.05 2.07 -0.38 -1.96 116.25 118.54 2gi4 h VAL 147 Ca 0.32 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2gi4 h VAL 147 Cb 0.23 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2gi4 h VAL 147 CO -0.10 0.05 -0.20 0.15 0.02 0.00 0.00 177.57 177.48 2gi4 h PHE 148 N -1.03 -0.53 -0.19 1.57 3.57 -1.27 -1.83 116.94 117.23 2gi4 h PHE 148 Ca -0.07 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.47 2gi4 h PHE 148 Cb 0.61 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 2gi4 h PHE 148 CO 0.01 -0.22 -0.14 1.25 -2.23 0.00 0.00 178.31 176.99 2gi4 h LEU 149 N -0.81 -0.44 -0.17 0.59 6.46 -0.82 -0.26 115.31 119.86 2gi4 h LEU 149 Ca -0.06 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2gi4 h LEU 149 Cb 0.55 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2gi4 h LEU 149 CO 0.10 -0.17 0.00 -0.24 -0.62 0.00 0.00 178.44 177.50 2gi4 n SER 150 N -5.29 0.12 -2.58 1.25 2.88 -0.73 -4.92 113.62 104.35 2gi4 n SER 150 Ca -0.02 -1.48 -0.05 0.00 -1.33 0.00 0.00 58.87 55.99 2gi4 n SER 150 Cb 0.21 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 2gi4 n SER 150 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2gi4 n LYS 151 N -0.40 -4.66 -3.99 -1.46 4.81 -0.11 -5.01 118.16 107.34 2gi4 n LYS 151 Ca 0.00 3.49 -0.13 0.00 -0.87 0.00 0.00 58.31 60.80 2gi4 n LYS 151 Cb 0.03 -4.97 -0.01 0.00 0.02 0.00 0.00 35.03 30.10 2gi4 n LYS 151 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2gi4 s HIS 152 N -0.64 0.77 -0.28 5.64 2.46 -0.71 -4.97 115.29 117.56 2gi4 s HIS 152 Ca -0.26 -1.16 -0.16 0.00 0.47 0.00 0.00 55.06 53.96 2gi4 s HIS 152 Cb 0.02 0.24 0.09 0.00 -0.13 0.00 0.00 32.58 32.80 2gi4 s HIS 152 CO 0.69 -1.32 0.72 -1.58 -2.47 0.00 0.00 174.74 170.79 2gi4 s HIS 153 N -2.68 -1.03 0.32 3.88 2.46 -1.26 -4.84 115.29 112.15 2gi4 s HIS 153 Ca 0.25 2.03 -0.04 0.00 0.47 0.00 0.00 55.06 57.77 2gi4 s HIS 153 Cb -0.02 0.61 0.07 0.00 -0.13 0.00 0.00 32.58 33.11 2gi4 s HIS 153 CO 0.18 -0.51 0.44 0.72 -2.47 0.00 0.00 174.74 173.10 2gi4 n HIS 154 N 4.32 -3.72 -2.40 3.88 8.25 -1.26 -5.11 115.22 119.19 2gi4 n HIS 154 Ca -0.19 -0.51 -0.00 0.00 -0.26 0.00 0.00 57.72 56.76 2gi4 n HIS 154 Cb 0.58 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2gi4 n HIS 154 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2gi4 n HIS 155 N -2.40 -3.29 1.44 4.41 -0.00 -1.26 -5.32 115.22 108.80 2gi4 n HIS 155 Ca 0.06 -0.03 0.14 0.00 -0.00 0.00 0.00 57.72 57.89 2gi4 n HIS 155 Cb 0.21 -0.01 0.47 0.00 -0.00 0.00 0.00 29.99 30.66 2gi4 n HIS 155 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06