#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 0.25 0.22 0.03 1.02 -1.26 -5.02 119.74 114.98 2gi4 s LYS 2 Ca 0.00 0.57 0.12 0.00 0.02 0.00 0.00 55.97 56.67 2gi4 s LYS 2 Cb 0.00 -0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.18 2gi4 s LYS 2 CO 0.00 -0.15 -0.23 0.15 -0.92 0.00 0.00 175.35 174.20 2gi4 s LYS 3 N 1.19 1.56 -0.22 1.68 1.02 -1.26 -2.25 119.74 121.48 2gi4 s LYS 3 Ca -0.09 -1.60 -0.01 0.00 0.02 0.00 0.00 55.97 54.30 2gi4 s LYS 3 Cb -0.09 -1.81 0.06 0.00 -0.52 0.00 0.00 37.83 35.47 2gi4 s LYS 3 CO -0.09 0.37 -0.02 0.42 -0.92 0.00 0.00 175.35 175.12 2gi4 s ILE 4 N -1.95 1.13 -0.42 2.17 1.09 -0.64 -1.17 121.20 121.40 2gi4 s ILE 4 Ca 0.24 -0.95 -0.21 0.00 -1.10 0.00 0.00 60.65 58.62 2gi4 s ILE 4 Cb -0.07 -1.49 0.02 0.00 -1.06 0.00 0.00 42.46 39.87 2gi4 s ILE 4 CO 0.11 -0.14 0.69 -0.22 -0.10 0.00 0.00 174.94 175.29 2gi4 s LEU 5 N 1.58 4.37 -0.31 2.97 0.20 -0.38 0.11 118.68 127.22 2gi4 s LEU 5 Ca -0.04 -0.16 -0.14 0.00 0.69 0.00 0.00 54.13 54.48 2gi4 s LEU 5 Cb -0.18 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.73 2gi4 s LEU 5 CO -0.07 -0.79 0.33 -0.36 -0.29 0.00 0.00 176.35 175.18 2gi4 s PHE 6 N 2.95 3.22 -0.19 5.38 0.08 -0.20 -1.66 117.98 127.57 2gi4 s PHE 6 Ca 0.25 0.11 -0.08 0.00 0.12 0.00 0.00 56.93 57.33 2gi4 s PHE 6 Cb -0.14 -2.59 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 2gi4 s PHE 6 CO 0.19 -0.33 0.09 0.42 -0.10 0.00 0.00 175.22 175.49 2gi4 s ILE 7 N 1.98 5.03 -0.05 0.64 1.01 -0.56 -0.68 121.20 128.57 2gi4 s ILE 7 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2gi4 s ILE 7 Cb -0.16 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.06 2gi4 s ILE 7 CO 0.11 0.45 0.01 0.00 0.00 0.00 0.00 174.94 175.52 2gi4 h LEU 9 N 7.91 0.00 -6.81 0.00 6.46 -1.89 -3.32 115.31 117.66 2gi4 h LEU 9 Ca -0.27 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 56.95 2gi4 h LEU 9 Cb 1.13 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 40.66 2gi4 h LEU 9 CO 0.32 0.00 -0.78 -0.83 -0.62 0.00 0.00 178.44 176.53 2gi4 s GLY 10 N -3.94 0.61 0.00 3.75 0.00 -1.26 -4.52 107.32 101.96 2gi4 s GLY 10 Ca -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 2gi4 s GLY 10 CO 0.64 2.02 2.42 -2.01 0.00 0.00 0.00 173.10 176.18 2gi4 n ASN 11 N 5.05 5.12 -0.99 1.64 2.85 -1.25 -3.34 115.26 124.35 2gi4 n ASN 11 Ca -0.03 -2.39 0.02 0.00 -0.11 0.00 0.00 54.58 52.07 2gi4 n ASN 11 Cb 0.41 -1.18 0.01 0.00 1.24 0.00 0.00 39.78 40.27 2gi4 n ASN 11 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2gi4 n ILE 12 N 1.83 0.05 0.00 -1.44 -5.35 -1.26 -3.82 119.36 109.37 2gi4 n ILE 12 Ca 0.13 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2gi4 n ILE 12 Cb 0.61 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.46 -0.21 0.00 -0.00 -1.91 -3.16 114.38 109.57 2gi4 h ARG 14 Ca 0.00 -0.74 0.05 0.00 -0.00 0.00 0.00 59.98 59.29 2gi4 h ARG 14 Cb 0.00 0.27 -0.05 0.00 -0.00 0.00 0.00 29.97 30.19 2gi4 h ARG 14 CO 0.00 1.34 -0.10 1.03 -0.00 0.00 0.00 179.97 182.24 2gi4 h SER 15 N 0.15 -0.34 -0.23 0.08 0.87 -1.90 -2.23 113.55 109.95 2gi4 h SER 15 Ca -0.20 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 2gi4 h SER 15 Cb 2.03 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 64.17 2gi4 h SER 15 CO 0.24 -0.13 -0.23 -0.65 -0.53 0.00 0.00 176.83 175.53 2gi4 h PRO 16 N -0.07 0.70 0.49 2.24 0.11 -1.78 -1.50 132.00 132.19 2gi4 h PRO 16 Ca 0.11 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2gi4 h PRO 16 Cb 0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2gi4 h PRO 16 CO -0.26 0.87 -0.41 1.98 -0.21 0.00 0.00 178.00 179.97 2gi4 h MET 17 N 0.61 -0.86 0.00 1.05 4.05 -1.43 -2.07 114.93 116.29 2gi4 h MET 17 Ca 0.09 0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 2gi4 h MET 17 Cb 0.72 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2gi4 h MET 17 CO 0.06 -0.57 -0.29 0.00 0.23 0.00 0.00 176.91 176.33 2gi4 h ALA 18 N -0.57 1.45 -0.04 0.39 0.00 -1.45 -2.24 119.26 116.79 2gi4 h ALA 18 Ca -0.05 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2gi4 h ALA 18 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2gi4 h ALA 18 CO -0.02 0.37 -0.16 1.49 0.00 0.00 0.00 179.25 180.93 2gi4 h GLU 19 N 0.00 -0.24 -0.03 0.00 4.81 -0.69 0.38 114.58 118.81 2gi4 h GLU 19 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2gi4 h GLU 19 Cb 0.54 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2gi4 h GLU 19 CO 0.04 -0.16 -0.12 0.35 -0.73 0.00 0.00 179.01 178.39 2gi4 h PHE 20 N -0.25 0.18 0.28 0.92 3.04 -1.28 -2.14 116.94 117.69 2gi4 h PHE 20 Ca 0.07 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2gi4 h PHE 20 Cb 0.34 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.82 2gi4 h PHE 20 CO -0.24 0.76 -0.14 -0.84 -2.02 0.00 0.00 178.31 175.84 2gi4 h ILE 21 N -0.46 0.74 -0.71 1.41 3.07 -1.35 -2.37 117.51 117.84 2gi4 h ILE 21 Ca -0.01 -0.11 0.04 0.00 1.55 0.00 0.00 64.86 66.34 2gi4 h ILE 21 Cb 0.78 0.80 -0.05 0.00 -0.27 0.00 0.00 36.82 38.08 2gi4 h ILE 21 CO 0.03 0.02 0.43 0.24 -1.05 0.00 0.00 178.15 177.82 2gi4 h MET 22 N -0.43 0.80 -0.88 0.16 2.86 -0.37 -1.26 114.93 115.81 2gi4 h MET 22 Ca -0.04 -0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.72 2gi4 h MET 22 Cb 0.33 -0.18 -0.10 0.00 0.06 0.00 0.00 31.60 31.71 2gi4 h MET 22 CO 0.06 0.53 0.45 0.87 1.06 0.00 0.00 176.91 179.89 2gi4 h LYS 23 N 0.83 0.57 -0.33 1.72 1.79 -1.15 0.51 116.57 120.50 2gi4 h LYS 23 Ca 0.30 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.60 2gi4 h LYS 23 Cb 0.09 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2gi4 h LYS 23 CO -0.14 0.38 -0.32 0.22 -1.08 0.00 0.00 179.45 178.51 2gi4 h ASP 24 N 0.59 0.85 0.62 0.86 3.58 -0.78 -2.79 116.42 119.34 2gi4 h ASP 24 Ca 0.50 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2gi4 h ASP 24 Cb 0.79 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2gi4 h ASP 24 CO -0.41 1.14 -0.03 0.25 -2.88 0.00 0.00 179.24 177.32 2gi4 h LEU 25 N 0.57 0.00 -0.40 2.28 7.12 0.21 -3.02 115.31 122.07 2gi4 h LEU 25 Ca 0.05 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2gi4 h LEU 25 Cb 0.90 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 2gi4 h LEU 25 CO 0.08 0.03 0.11 0.58 -0.13 0.00 0.00 178.44 179.11 2gi4 h VAL 26 N 0.00 1.22 -0.39 1.05 2.07 0.18 -3.01 116.25 117.37 2gi4 h VAL 26 Ca -0.00 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2gi4 h VAL 26 Cb 0.34 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2gi4 h VAL 26 CO 0.00 0.26 0.20 0.50 0.02 0.00 0.00 177.57 178.55 2gi4 h LYS 27 N 0.50 0.54 0.08 1.57 3.64 -1.61 0.64 116.57 121.93 2gi4 h LYS 27 Ca 0.13 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2gi4 h LYS 27 Cb 0.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2gi4 h LYS 27 CO -0.00 0.41 -0.04 1.57 -2.27 0.00 0.00 179.45 179.13 2gi4 h LYS 28 N 0.55 -0.10 0.00 1.90 5.09 -1.65 -3.38 116.57 118.98 2gi4 h LYS 28 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.89 2gi4 h LYS 28 Cb 0.04 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.40 2gi4 h LYS 28 CO -0.02 0.26 -0.14 0.00 -2.09 0.00 0.00 179.45 177.45 2gi4 n ALA 29 N -2.33 0.90 0.11 0.07 0.00 -1.20 -4.78 120.51 113.29 2gi4 n ALA 29 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2gi4 n ALA 29 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2gi4 n ALA 29 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2gi4 h ASN 30 N 0.00 0.00 -4.71 0.00 4.21 -0.14 -3.49 115.58 111.45 2gi4 h ASN 30 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2gi4 h ASN 30 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2gi4 h ASN 30 CO 0.00 0.39 -0.18 0.18 -1.29 0.00 0.00 177.43 176.53 2gi4 n LEU 31 N -3.02 -5.95 0.00 1.61 4.32 0.15 -4.10 117.00 110.02 2gi4 n LEU 31 Ca -0.02 0.17 0.23 0.00 -0.02 0.00 0.00 56.01 56.37 2gi4 n LEU 31 Cb 0.71 -2.74 0.69 0.00 -1.62 0.00 0.00 43.42 40.46 2gi4 n LEU 31 CO 0.40 -1.28 1.21 -0.08 -1.22 0.00 0.00 177.39 176.42 2gi4 h GLU 32 N 0.89 0.00 -0.91 3.23 4.22 -1.81 0.59 114.58 120.80 2gi4 h GLU 32 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 2gi4 h GLU 32 Cb 0.87 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 2gi4 h GLU 32 CO 0.18 0.00 0.17 0.36 -2.18 0.00 0.00 179.01 177.54 2gi4 n LYS 33 N -3.64 2.18 0.15 1.92 2.85 -1.26 -4.28 118.16 116.08 2gi4 n LYS 33 Ca 0.12 -1.47 0.00 0.00 -1.05 0.00 0.00 58.31 55.91 2gi4 n LYS 33 Cb 0.84 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 2gi4 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gi4 n GLU 34 N -0.02 0.00 -3.10 -1.58 -0.58 0.20 -5.14 120.64 110.42 2gi4 n GLU 34 Ca 0.22 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.77 2gi4 n GLU 34 Cb 0.90 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.79 2gi4 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2gi4 s PHE 35 N -2.00 2.36 -0.02 -0.32 0.40 -0.59 -4.69 117.98 113.12 2gi4 s PHE 35 Ca 0.00 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 2gi4 s PHE 35 Cb 0.00 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.24 2gi4 s PHE 35 CO 0.00 -0.61 0.06 -0.06 0.70 0.00 0.00 175.22 175.32 2gi4 s PHE 36 N -2.47 -0.06 -0.13 0.36 0.08 -0.95 -4.58 117.98 110.23 2gi4 s PHE 36 Ca 0.56 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.76 2gi4 s PHE 36 Cb -0.08 0.01 0.02 0.00 -0.57 0.00 0.00 43.02 42.40 2gi4 s PHE 36 CO 0.34 -0.05 -0.16 0.96 -0.10 0.00 0.00 175.22 176.21 2gi4 s ILE 37 N -0.06 1.65 0.36 0.64 -0.00 -1.26 -1.62 121.20 120.92 2gi4 s ILE 37 Ca -0.01 -0.71 0.08 0.00 -0.00 0.00 0.00 60.65 60.00 2gi4 s ILE 37 Cb -0.01 -1.51 -0.03 0.00 -0.00 0.00 0.00 42.46 40.90 2gi4 s ILE 37 CO 0.00 0.47 0.24 0.54 -0.00 0.00 0.00 174.94 176.20 2gi4 s ASN 38 N 1.16 4.93 -0.28 4.36 2.20 0.12 -4.91 114.94 122.51 2gi4 s ASN 38 Ca -0.02 -0.71 -0.16 0.00 -0.94 0.00 0.00 52.86 51.04 2gi4 s ASN 38 Cb -0.14 -0.75 0.10 0.00 -2.00 0.00 0.00 41.25 38.46 2gi4 s ASN 38 CO -0.06 -0.41 0.78 -0.94 -2.94 0.00 0.00 177.10 173.53 2gi4 s SER 39 N -3.96 -0.81 0.34 3.54 1.04 -1.26 -1.04 113.70 111.56 2gi4 s SER 39 Ca 0.41 1.29 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 2gi4 s SER 39 Cb -0.03 1.34 0.04 0.00 0.10 0.00 0.00 66.02 67.48 2gi4 s SER 39 CO 0.25 -0.20 0.78 0.00 0.98 0.00 0.00 173.24 175.04 2gi4 s ALA 40 N 1.56 -0.95 0.82 5.32 0.00 0.14 -4.93 121.76 123.72 2gi4 s ALA 40 Ca -0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2gi4 s ALA 40 Cb -0.05 0.74 0.15 0.00 0.00 0.00 0.00 23.12 23.96 2gi4 s ALA 40 CO -0.18 -1.01 1.14 0.20 0.00 0.00 0.00 175.76 175.90 2gi4 s GLY 41 N -3.03 1.76 0.03 0.00 0.00 -1.25 -1.40 107.32 103.43 2gi4 s GLY 41 Ca 0.14 -1.39 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 2gi4 s GLY 41 CO 0.10 -0.76 1.36 -0.84 0.00 0.00 0.00 173.10 172.95 2gi4 h THR 42 N -1.01 1.34 0.00 0.90 2.02 -1.87 -1.16 112.91 113.12 2gi4 h THR 42 Ca -0.41 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.62 2gi4 h THR 42 Cb 1.26 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2gi4 h THR 42 CO 0.42 0.33 -0.04 -1.54 0.37 0.00 0.00 175.52 175.06 2gi4 n SER 43 N -4.69 1.56 -2.04 4.18 3.41 -1.26 -4.34 113.62 110.44 2gi4 n SER 43 Ca -0.07 -2.08 -0.18 0.00 -0.26 0.00 0.00 58.87 56.28 2gi4 n SER 43 Cb 0.30 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2gi4 n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gi4 n GLY 44 N -0.59 0.44 0.31 5.00 0.00 -1.26 -4.85 105.19 104.24 2gi4 n GLY 44 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2gi4 n GLY 44 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2gi4 h GLU 45 N 0.00 0.93 0.00 1.61 4.11 -1.89 -3.38 114.58 115.96 2gi4 h GLU 45 Ca -0.41 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 58.82 2gi4 h GLU 45 Cb 1.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2gi4 h GLU 45 CO 0.53 0.83 -0.43 0.72 0.07 0.00 0.00 179.01 180.72 2gi4 n HIS 46 N -4.26 0.00 -1.47 2.06 8.25 -1.26 -5.06 115.22 113.48 2gi4 n HIS 46 Ca 0.04 0.00 -0.60 0.00 -0.26 0.00 0.00 57.72 56.91 2gi4 n HIS 46 Cb 0.23 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 2gi4 n HIS 46 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2gi4 n ASP 47 N -1.06 1.34 -0.10 0.41 2.03 -1.26 -3.78 116.55 114.13 2gi4 n ASP 47 Ca 0.00 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2gi4 n ASP 47 Cb 0.18 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2gi4 n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gi4 n GLY 48 N 6.02 0.65 0.00 0.27 0.00 -1.25 -2.70 105.19 108.18 2gi4 n GLY 48 Ca 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.04 0.00 0.00 1.61 1.02 -1.25 -4.00 120.64 117.98 2gi4 n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gi4 n GLU 49 Cb 0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 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 0.00 1.17 0.96 0.62 0.00 -1.26 -5.07 105.19 101.61 2gi4 n GLY 50 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 2gi4 n GLY 50 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2gi4 n MET 51 N 0.00 0.24 -3.02 1.61 1.56 -1.26 -4.53 117.12 111.73 2gi4 n MET 51 Ca 0.00 -0.49 -0.08 0.00 -0.27 0.00 0.00 57.70 56.86 2gi4 n MET 51 Cb 0.00 0.63 -0.01 0.00 2.15 0.00 0.00 33.22 35.99 2gi4 n MET 51 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 2gi4 n HIS 52 N -0.15 -1.39 -0.50 1.12 -0.00 0.80 -4.89 115.22 110.19 2gi4 n HIS 52 Ca -0.02 -1.42 -0.20 0.00 0.46 0.00 0.00 57.72 56.54 2gi4 n HIS 52 Cb 0.15 0.45 0.16 0.00 -0.12 0.00 0.00 29.99 30.63 2gi4 n HIS 52 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2gi4 n TYR 53 N -0.37 -2.44 0.00 1.57 4.01 -1.26 -2.90 117.16 115.77 2gi4 n TYR 53 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2gi4 n TYR 53 Cb 0.38 -1.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 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 2.35 1.74 0.09 2.72 0.00 -1.26 -4.05 105.19 106.77 2gi4 n GLY 54 Ca 0.06 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 2gi4 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gi4 h THR 55 N 0.00 0.90 -0.98 2.61 1.03 -1.77 -2.22 112.91 112.48 2gi4 h THR 55 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.46 2gi4 h THR 55 Cb 0.00 0.90 -0.07 0.00 -1.07 0.00 0.00 68.15 67.92 2gi4 h THR 55 CO 0.00 0.00 0.63 0.50 -0.01 0.00 0.00 175.52 176.64 2gi4 h LYS 56 N -0.11 1.12 -0.11 0.00 3.64 -1.67 -0.81 116.57 118.63 2gi4 h LYS 56 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2gi4 h LYS 56 Cb 0.09 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2gi4 h LYS 56 CO 0.00 0.74 0.07 -0.97 -2.27 0.00 0.00 179.45 177.02 2gi4 h ASN 57 N 1.15 0.14 -0.71 4.20 -1.24 -1.75 0.13 115.58 117.50 2gi4 h ASN 57 Ca 0.42 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.32 2gi4 h ASN 57 Cb 0.16 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2gi4 h ASN 57 CO -0.17 0.16 0.24 0.11 -1.29 0.00 0.00 177.43 176.48 2gi4 h LYS 58 N 0.11 1.09 0.04 6.67 1.79 -0.98 -1.86 116.57 123.43 2gi4 h LYS 58 Ca 0.04 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2gi4 h LYS 58 Cb 0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2gi4 h LYS 58 CO -0.01 0.92 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.20 2gi4 h LEU 59 N 1.04 -0.05 -1.90 2.94 3.38 -0.96 -2.77 115.31 116.99 2gi4 h LEU 59 Ca 0.23 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2gi4 h LEU 59 Cb 0.27 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2gi4 h LEU 59 CO -0.01 0.24 0.32 0.00 0.09 0.00 0.00 178.44 179.07 2gi4 h ALA 60 N 0.60 2.27 -0.17 1.53 0.00 -0.65 0.38 119.26 123.22 2gi4 h ALA 60 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gi4 h ALA 60 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gi4 h ALA 60 CO 0.01 -0.39 0.11 1.96 0.00 0.00 0.00 179.25 180.94 2gi4 h GLN 61 N 0.11 0.22 0.00 0.00 4.20 -1.04 -3.44 115.11 115.16 2gi4 h GLN 61 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2gi4 h GLN 61 Cb 0.69 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2gi4 h GLN 61 CO -0.02 0.14 0.00 1.47 -0.67 0.00 0.00 178.83 179.75 2gi4 n LEU 62 N -4.98 0.00 0.00 1.46 -0.00 -0.65 -5.12 117.00 107.71 2gi4 n LEU 62 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2gi4 n LEU 62 Cb 0.03 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 2gi4 n LEU 62 CO 0.34 -0.10 0.00 0.59 -0.00 0.00 0.00 177.39 178.21 2gi4 n ASN 63 N -1.71 -0.28 -4.66 1.45 3.02 0.12 -5.01 115.26 108.19 2gi4 n ASN 63 Ca 0.00 -0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 2gi4 n ASN 63 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.20 4.68 1.19 2.41 1.09 -1.24 -4.39 121.20 124.74 2gi4 s ILE 64 Ca 0.00 -0.08 -0.20 0.00 -1.10 0.00 0.00 60.65 59.27 2gi4 s ILE 64 Cb 0.00 -3.07 0.31 0.00 -1.06 0.00 0.00 42.46 38.64 2gi4 s ILE 64 CO 0.00 0.51 0.70 -0.62 -0.10 0.00 0.00 174.94 175.43 2gi4 n GLU 65 N 3.08 -4.30 -1.93 2.79 1.02 -1.26 -4.73 120.64 115.30 2gi4 n GLU 65 Ca -0.17 -1.17 -0.42 0.00 -0.02 0.00 0.00 57.16 55.38 2gi4 n GLU 65 Cb 0.53 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2gi4 n GLU 65 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2gi4 s HIS 66 N -1.89 2.97 0.00 -0.32 -3.43 -1.26 -4.86 115.29 106.49 2gi4 s HIS 66 Ca 0.54 0.84 0.00 0.00 -0.80 0.00 0.00 55.06 55.64 2gi4 s HIS 66 Cb -0.10 -3.92 0.00 0.00 -1.43 0.00 0.00 32.58 27.14 2gi4 s HIS 66 CO 0.45 -3.13 0.94 1.63 -2.00 0.00 0.00 174.74 172.62 2gi4 n LYS 67 N 2.78 0.00 -2.46 -0.38 4.01 -1.26 -4.95 118.16 115.90 2gi4 n LYS 67 Ca 0.09 -0.88 -0.12 0.00 -0.51 0.00 0.00 58.31 56.89 2gi4 n LYS 67 Cb 0.39 0.45 0.03 0.00 -0.51 0.00 0.00 35.03 35.39 2gi4 n LYS 67 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2gi4 n ASN 68 N 0.00 3.15 -4.59 4.39 3.02 -1.26 -5.05 115.26 114.92 2gi4 n ASN 68 Ca -0.25 -2.89 -0.43 0.00 -0.03 0.00 0.00 54.58 50.99 2gi4 n ASN 68 Cb 0.67 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 2gi4 n ASN 68 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2gi4 s PHE 69 N -3.66 2.68 -0.26 3.10 -0.12 -1.26 -4.89 117.98 113.55 2gi4 s PHE 69 Ca 0.38 0.59 -0.01 0.00 -0.05 0.00 0.00 56.93 57.84 2gi4 s PHE 69 Cb 0.37 -4.46 0.15 0.00 -0.63 0.00 0.00 43.02 38.45 2gi4 s PHE 69 CO -0.01 -1.48 0.42 0.99 -0.05 0.00 0.00 175.22 175.08 2gi4 s THR 70 N 4.81 -0.67 -0.43 -4.49 2.01 -1.26 -4.94 115.64 110.67 2gi4 s THR 70 Ca 0.48 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.09 2gi4 s THR 70 Cb -0.08 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 2gi4 s THR 70 CO 0.29 -0.15 2.24 -0.44 -0.69 0.00 0.00 174.62 175.87 2gi4 s SER 71 N 2.59 4.91 0.44 3.53 0.01 -1.26 -3.93 113.70 120.00 2gi4 s SER 71 Ca 0.13 1.19 0.03 0.00 1.31 0.00 0.00 55.95 58.61 2gi4 s SER 71 Cb -0.14 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2gi4 s SER 71 CO -0.20 -2.50 0.05 -0.54 0.41 0.00 0.00 173.24 170.46 2gi4 s LYS 72 N 7.42 2.00 -0.29 12.44 -0.14 -1.10 -4.96 119.74 135.11 2gi4 s LYS 72 Ca 0.92 -2.22 0.02 0.00 -1.36 0.00 0.00 55.97 53.33 2gi4 s LYS 72 Cb -0.21 -1.15 0.19 0.00 -1.68 0.00 0.00 37.83 34.98 2gi4 s LYS 72 CO 0.28 -0.34 0.59 -1.59 -0.76 0.00 0.00 175.35 173.53 2gi4 s LYS 73 N -3.80 0.56 0.05 1.68 0.00 -1.26 -4.06 119.74 112.90 2gi4 s LYS 73 Ca 0.20 0.78 -0.33 0.00 0.00 0.00 0.00 55.97 56.61 2gi4 s LYS 73 Cb 0.04 0.38 -0.12 0.00 0.00 0.00 0.00 37.83 38.13 2gi4 s LYS 73 CO 0.10 -0.82 1.76 -0.11 0.00 0.00 0.00 175.35 176.28 2gi4 n LEU 74 N 5.42 3.42 0.00 2.77 7.94 -0.44 -4.87 117.00 131.24 2gi4 n LEU 74 Ca 0.02 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2gi4 n LEU 74 Cb 0.52 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2gi4 n LEU 74 CO -0.01 -0.11 0.00 0.35 -1.11 0.00 0.00 177.39 176.51 2gi4 n THR 75 N 4.40 0.00 -0.03 1.96 -2.24 -1.26 -4.68 114.28 112.42 2gi4 n THR 75 Ca 0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 2gi4 n THR 75 Cb 0.31 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.21 -0.79 -0.78 1.08 -1.99 -1.19 115.11 111.66 2gi4 h GLN 76 Ca 0.00 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2gi4 h GLN 76 Cb 0.00 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 2gi4 h GLN 76 CO 0.00 0.31 0.52 -0.22 -0.95 0.00 0.00 178.83 178.50 2gi4 h LYS 77 N 0.06 0.99 -0.35 1.46 3.64 -1.98 0.44 116.57 120.84 2gi4 h LYS 77 Ca 0.05 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2gi4 h LYS 77 Cb 0.18 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2gi4 h LYS 77 CO -0.00 0.65 0.02 -0.07 -2.27 0.00 0.00 179.45 177.78 2gi4 h LEU 78 N 1.02 0.58 -1.35 5.20 4.07 -1.86 -2.68 115.31 120.30 2gi4 h LEU 78 Ca 0.30 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 2gi4 h LEU 78 Cb -0.03 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 2gi4 h LEU 78 CO -0.08 0.73 -0.24 0.00 -1.08 0.00 0.00 178.44 177.77 2gi4 h ASP 80 N 0.00 0.00 0.00 0.00 3.58 -0.57 -3.15 116.42 116.28 2gi4 h ASP 80 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2gi4 h ASP 80 Cb 0.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2gi4 h ASP 80 CO 0.03 0.02 -0.96 -0.62 -2.88 0.00 0.00 179.24 174.84 2gi4 n GLU 81 N -3.50 0.50 -1.72 0.28 1.02 -0.94 -4.94 120.64 111.35 2gi4 n GLU 81 Ca -0.03 0.42 -0.43 0.00 -0.02 0.00 0.00 57.16 57.11 2gi4 n GLU 81 Cb 0.12 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 2gi4 n GLU 81 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2gi4 n SER 82 N -4.51 3.50 -0.03 1.62 3.41 -1.07 -4.45 113.62 112.08 2gi4 n SER 82 Ca -0.17 1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 59.51 2gi4 n SER 82 Cb 0.46 -1.53 -0.14 0.00 -0.26 0.00 0.00 64.21 62.74 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 2.36 0.52 -4.12 4.04 -0.08 -0.32 -4.84 116.55 114.11 2gi4 n ASP 83 Ca 0.10 0.24 -0.33 0.00 -1.51 0.00 0.00 54.79 53.29 2gi4 n ASP 83 Cb 0.35 0.48 -0.16 0.00 2.34 0.00 0.00 41.12 44.13 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 -2.70 2.82 -0.06 -0.67 0.08 -0.90 -5.01 117.98 111.54 2gi4 s PHE 84 Ca -0.06 -1.67 -0.04 0.00 0.12 0.00 0.00 56.93 55.28 2gi4 s PHE 84 Cb 0.08 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2gi4 s PHE 84 CO 0.83 -0.80 0.13 -1.17 -0.10 0.00 0.00 175.22 174.11 2gi4 s LEU 85 N 1.28 4.24 -0.01 -0.37 2.96 -0.84 -1.24 118.68 124.70 2gi4 s LEU 85 Ca 0.04 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2gi4 s LEU 85 Cb -0.14 -2.26 -0.00 0.00 0.50 0.00 0.00 46.19 44.29 2gi4 s LEU 85 CO -0.12 0.34 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.57 2gi4 s ILE 86 N -1.14 0.37 -0.24 6.68 1.09 -0.66 -0.66 121.20 126.64 2gi4 s ILE 86 Ca 0.20 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.41 2gi4 s ILE 86 Cb -0.12 -0.32 -0.11 0.00 -1.06 0.00 0.00 42.46 40.84 2gi4 s ILE 86 CO 0.10 0.11 -0.28 0.35 -0.10 0.00 0.00 174.94 175.13 2gi4 n THR 87 N 3.04 1.52 0.00 2.92 -2.24 -0.14 -1.49 114.28 117.89 2gi4 n THR 87 Ca -0.14 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2gi4 n THR 87 Cb 0.58 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 -4.33 0.00 -2.86 -0.78 2.81 -1.25 -4.47 117.12 106.24 2gi4 n MET 88 Ca -0.41 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.13 2gi4 n MET 88 Cb 0.76 -0.06 -0.07 0.00 -0.71 0.00 0.00 33.22 33.14 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 7.08 -0.01 7.83 1.11 -1.26 -3.95 116.67 127.47 2gi4 s ASP 89 Ca 0.00 1.68 -0.14 0.00 0.18 0.00 0.00 52.55 54.27 2gi4 s ASP 89 Cb 0.00 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.39 2gi4 s ASP 89 CO 0.00 -0.21 0.78 0.78 1.18 0.00 0.00 175.17 177.70 2gi4 h ASN 90 N 2.52 -0.41 -0.22 0.27 4.21 -1.87 -3.24 115.58 116.84 2gi4 h ASN 90 Ca -0.48 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.06 2gi4 h ASN 90 Cb 1.18 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.48 2gi4 h ASN 90 CO 0.63 -0.16 0.15 0.77 -1.29 0.00 0.00 177.43 177.53 2gi4 h SER 91 N -0.75 0.19 -0.00 5.81 4.64 -1.95 -1.51 113.55 119.98 2gi4 h SER 91 Ca -0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2gi4 h SER 91 Cb 0.37 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2gi4 h SER 91 CO 0.08 0.13 0.01 0.78 -0.87 0.00 0.00 176.83 176.96 2gi4 h ASN 92 N 0.22 0.00 0.41 4.97 4.21 -1.95 -2.00 115.58 121.44 2gi4 h ASN 92 Ca 0.09 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 2gi4 h ASN 92 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2gi4 h ASN 92 CO -0.02 0.00 -0.20 0.15 -1.29 0.00 0.00 177.43 176.07 2gi4 h PHE 93 N 0.00 -0.51 0.00 1.19 3.57 -1.29 -0.90 116.94 118.99 2gi4 h PHE 93 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2gi4 h PHE 93 Cb 0.01 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2gi4 h PHE 93 CO 0.00 -0.21 -0.31 -0.22 -2.23 0.00 0.00 178.31 175.34 2gi4 h LYS 94 N -0.78 0.00 0.38 1.11 3.11 -1.62 -2.14 116.57 116.62 2gi4 h LYS 94 Ca -0.06 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 2gi4 h LYS 94 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2gi4 h LYS 94 CO 0.09 0.31 -0.18 -0.97 -2.81 0.00 0.00 179.45 175.89 2gi4 h ASN 95 N 0.00 -0.43 0.36 4.20 -1.24 -1.24 -3.10 115.58 114.14 2gi4 h ASN 95 Ca -0.00 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 2gi4 h ASN 95 Cb 0.60 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.76 2gi4 h ASN 95 CO 0.04 -0.05 -0.10 -0.37 -1.29 0.00 0.00 177.43 175.65 2gi4 h VAL 96 N -0.86 0.52 -0.90 2.57 -1.51 -1.13 0.08 116.25 115.01 2gi4 h VAL 96 Ca -0.05 -0.48 0.10 0.00 -1.23 0.00 0.00 66.70 65.04 2gi4 h VAL 96 Cb 0.54 1.32 -0.08 0.00 -2.13 0.00 0.00 31.29 30.94 2gi4 h VAL 96 CO 0.08 0.10 0.54 0.25 -1.23 0.00 0.00 177.57 177.32 2gi4 h LEU 97 N 0.00 0.79 0.00 4.19 6.46 -1.30 -1.96 115.31 123.50 2gi4 h LEU 97 Ca -0.00 0.05 -0.18 0.00 -0.12 0.00 0.00 57.88 57.62 2gi4 h LEU 97 Cb 0.31 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 2gi4 h LEU 97 CO 0.01 0.44 -2.04 0.29 -0.62 0.00 0.00 178.44 176.53 2gi4 n LYS 98 N -4.68 0.93 -0.13 1.25 5.02 -1.06 -4.51 118.16 114.99 2gi4 n LYS 98 Ca 0.16 -0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2gi4 n LYS 98 Cb 0.30 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2gi4 n LYS 98 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2gi4 h ASN 99 N 0.00 0.45 -5.91 4.39 -0.26 -0.83 -3.44 115.58 109.98 2gi4 h ASN 99 Ca -0.27 -0.01 -0.37 0.00 -0.56 0.00 0.00 56.30 55.09 2gi4 h ASN 99 Cb 1.55 -0.11 0.02 0.00 -1.06 0.00 0.00 38.32 38.72 2gi4 h ASN 99 CO 0.01 0.32 -0.06 0.49 -1.06 0.00 0.00 177.43 177.14 2gi4 n PHE 100 N -4.82 -2.37 -0.61 1.19 3.01 -0.75 -5.05 117.46 108.06 2gi4 n PHE 100 Ca 0.01 -1.60 0.00 0.00 1.01 0.00 0.00 57.45 56.86 2gi4 n PHE 100 Cb 0.03 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2gi4 n PHE 100 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2gi4 n THR 101 N -1.92 0.00 0.97 4.37 -1.04 -1.26 -4.85 114.28 110.55 2gi4 n THR 101 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2gi4 n THR 101 Cb 0.45 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 2gi4 n THR 101 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2gi4 n ASN 102 N -2.78 0.09 -0.62 8.00 0.23 -1.26 -3.06 115.26 115.86 2gi4 n ASN 102 Ca 0.00 -1.06 0.06 0.00 -0.53 0.00 0.00 54.58 53.05 2gi4 n ASN 102 Cb 0.00 -0.05 0.18 0.00 -2.08 0.00 0.00 39.78 37.83 2gi4 n ASN 102 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2gi4 n THR 103 N -0.38 0.43 0.49 5.53 5.66 -1.26 -4.00 114.28 120.75 2gi4 n THR 103 Ca 0.00 -0.44 0.06 0.00 -3.05 0.00 0.00 64.05 60.62 2gi4 n THR 103 Cb 0.02 0.24 0.28 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.47 0.07 0.00 1.09 -0.00 -1.17 -2.21 117.38 115.63 2gi4 n GLN 104 Ca 0.12 0.24 0.09 0.00 -0.00 0.00 0.00 57.00 57.45 2gi4 n GLN 104 Cb 0.29 -1.50 0.45 0.00 -0.00 0.00 0.00 30.24 29.48 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 -1.42 0.00 -1.33 2.61 2.85 -1.26 -2.31 115.26 114.41 2gi4 n ASN 105 Ca 0.04 0.15 0.06 0.00 -0.11 0.00 0.00 54.58 54.72 2gi4 n ASN 105 Cb 0.13 -0.35 0.31 0.00 1.24 0.00 0.00 39.78 41.11 2gi4 n ASN 105 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2gi4 n LYS 106 N -1.35 3.55 -4.51 1.20 5.02 -0.94 -4.96 118.16 116.18 2gi4 n LYS 106 Ca 0.08 -2.99 -0.34 0.00 -2.02 0.00 0.00 58.31 53.03 2gi4 n LYS 106 Cb 0.17 -2.02 -0.11 0.00 -0.02 0.00 0.00 35.03 33.05 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 -2.86 3.91 0.16 -0.18 1.01 -0.98 -1.99 120.40 119.47 2gi4 s VAL 107 Ca 0.48 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2gi4 s VAL 107 Cb 0.38 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2gi4 s VAL 107 CO 0.11 0.58 0.20 -0.76 0.00 0.00 0.00 175.10 175.23 2gi4 s LEU 108 N -0.58 4.03 -0.17 3.92 1.43 0.17 -4.94 118.68 122.53 2gi4 s LEU 108 Ca 0.09 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2gi4 s LEU 108 Cb -0.12 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.51 2gi4 s LEU 108 CO 0.02 0.06 -0.16 -0.54 0.23 0.00 0.00 176.35 175.97 2gi4 s LYS 109 N -3.15 2.51 0.39 1.70 1.02 -1.26 -0.96 119.74 119.98 2gi4 s LYS 109 Ca 0.32 -0.72 0.09 0.00 0.02 0.00 0.00 55.97 55.68 2gi4 s LYS 109 Cb -0.10 -2.34 0.79 0.00 -0.52 0.00 0.00 37.83 35.65 2gi4 s LYS 109 CO 0.25 -0.27 1.92 0.82 -0.92 0.00 0.00 175.35 177.16 2gi4 h ILE 110 N 6.09 1.17 -0.14 2.17 1.08 -1.89 -1.94 117.51 124.05 2gi4 h ILE 110 Ca -0.39 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.35 2gi4 h ILE 110 Cb 1.13 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 2gi4 h ILE 110 CO 0.56 0.24 0.10 0.00 -0.69 0.00 0.00 178.15 178.35 2gi4 h THR 111 N 0.23 0.95 0.00 -0.27 1.03 -1.90 0.15 112.91 113.11 2gi4 h THR 111 Ca 0.05 -0.01 -0.16 0.00 -0.01 0.00 0.00 66.41 66.28 2gi4 h THR 111 Cb 0.36 0.91 -0.02 0.00 -1.07 0.00 0.00 68.15 68.33 2gi4 h THR 111 CO 0.02 0.01 -0.80 -0.78 -0.01 0.00 0.00 175.52 173.96 2gi4 h ASP 112 N 0.04 0.00 -0.11 0.00 3.58 -1.74 -3.15 116.42 115.04 2gi4 h ASP 112 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2gi4 h ASP 112 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2gi4 h ASP 112 CO -0.00 0.72 0.00 0.49 -2.88 0.00 0.00 179.24 177.57 2gi4 n PHE 113 N -3.25 0.13 -3.61 0.28 3.72 -0.04 -4.80 117.46 109.89 2gi4 n PHE 113 Ca -0.00 -0.06 -0.39 0.00 -0.05 0.00 0.00 57.45 56.94 2gi4 n PHE 113 Cb 0.84 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.26 2gi4 n PHE 113 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2gi4 s SER 114 N -1.78 5.75 0.00 4.37 1.04 0.32 -4.94 113.70 118.47 2gi4 s SER 114 Ca 0.35 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2gi4 s SER 114 Cb 0.20 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2gi4 s SER 114 CO 0.30 -0.17 0.00 -2.65 0.98 0.00 0.00 173.24 171.70 2gi4 n PRO 115 N 5.03 0.00 -0.58 4.02 -0.02 -1.26 -4.54 135.00 137.65 2gi4 n PRO 115 Ca -0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.30 2gi4 n PRO 115 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.15 2gi4 n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gi4 n SER 116 N 0.00 3.55 -0.06 2.55 2.88 -1.26 -4.30 113.62 116.97 2gi4 n SER 116 Ca 0.00 -2.69 -0.14 0.00 -1.33 0.00 0.00 58.87 54.71 2gi4 n SER 116 Cb 0.00 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 62.75 2gi4 n SER 116 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2gi4 h LEU 117 N 1.68 0.58 -2.98 2.46 3.38 -1.99 -3.48 115.31 114.95 2gi4 h LEU 117 Ca 0.16 -0.52 -0.22 0.00 0.09 0.00 0.00 57.88 57.40 2gi4 h LEU 117 Cb 1.65 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2gi4 h LEU 117 CO 0.43 0.98 -0.68 -3.20 0.09 0.00 0.00 178.44 176.06 2gi4 n ASN 118 N -4.37 -6.54 -4.17 -0.43 4.05 -1.26 -5.01 115.26 97.53 2gi4 n ASN 118 Ca -0.06 -0.19 -0.20 0.00 0.45 0.00 0.00 54.58 54.59 2gi4 n ASN 118 Cb 0.46 -3.55 -0.13 0.00 1.23 0.00 0.00 39.78 37.79 2gi4 n ASN 118 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2gi4 s TYR 119 N -2.56 1.27 0.00 1.20 6.14 -1.26 -5.14 117.35 116.99 2gi4 s TYR 119 Ca 0.15 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.45 2gi4 s TYR 119 Cb -0.03 -0.73 0.00 0.00 0.42 0.00 0.00 41.96 41.63 2gi4 s TYR 119 CO 0.82 0.06 0.00 -0.25 0.64 0.00 0.00 175.55 176.82 2gi4 n ASP 120 N 1.55 0.00 -4.38 4.32 8.00 -1.26 -4.80 116.55 119.99 2gi4 n ASP 120 Ca -0.20 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 54.87 2gi4 n ASP 120 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 2gi4 n ASP 120 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2gi4 s GLU 121 N 2.09 2.92 0.34 -1.24 8.01 -1.26 -4.12 118.70 125.44 2gi4 s GLU 121 Ca 0.00 -1.32 0.00 0.00 0.01 0.00 0.00 54.97 53.66 2gi4 s GLU 121 Cb 0.00 -4.05 0.00 0.00 -4.31 0.00 0.00 34.13 25.77 2gi4 s GLU 121 CO 0.00 -0.97 0.00 1.33 0.01 0.00 0.00 175.26 175.63 2gi4 n VAL 122 N 5.15 -4.20 0.00 2.63 0.24 -1.26 -4.95 118.33 115.95 2gi4 n VAL 122 Ca -0.12 1.94 0.00 0.00 -2.04 0.00 0.00 64.34 64.12 2gi4 n VAL 122 Cb 0.44 -2.57 0.00 0.00 -1.47 0.00 0.00 33.84 30.24 2gi4 n VAL 122 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2gi4 n PRO 123 N -0.08 3.04 -0.36 7.34 -0.02 -1.26 -4.71 135.00 138.95 2gi4 n PRO 123 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2gi4 n PRO 123 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 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 -2.14 -0.13 2.55 -0.08 -1.26 -3.91 116.55 111.58 2gi4 n ASP 124 Ca 0.00 0.39 0.25 0.00 -1.51 0.00 0.00 54.79 53.92 2gi4 n ASP 124 Cb 0.00 -0.37 0.69 0.00 2.34 0.00 0.00 41.12 43.78 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 0.13 0.04 0.00 -0.67 0.11 -1.36 0.51 132.00 130.76 2gi4 h PRO 125 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2gi4 h PRO 125 Cb 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 2gi4 h PRO 125 CO 0.00 0.03 -0.04 2.35 -0.21 0.00 0.00 178.00 180.13 2gi4 h TRP 126 N 0.04 0.00 0.00 0.65 2.91 -1.86 -2.94 115.95 114.76 2gi4 h TRP 126 Ca 0.38 0.00 -0.23 0.00 1.13 0.00 0.00 58.89 60.17 2gi4 h TRP 126 Cb 1.44 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 30.05 2gi4 h TRP 126 CO -0.00 0.04 -1.85 0.66 -1.03 0.00 0.00 178.44 176.26 2gi4 n TYR 127 N -3.21 0.00 -0.02 2.65 4.01 0.05 -4.93 117.16 115.72 2gi4 n TYR 127 Ca -0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 2gi4 n TYR 127 Cb 0.24 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 38.69 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 -3.10 1.33 0.00 7.72 7.64 -0.51 -5.04 113.62 121.67 2gi4 n SER 128 Ca -0.27 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2gi4 n SER 128 Cb 0.76 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 2.55 1.16 3.89 0.23 0.00 -1.11 -4.97 105.19 106.94 2gi4 n GLY 129 Ca -0.10 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 5.19 -0.21 1.61 2.47 -1.26 -4.31 114.94 118.42 2gi4 s ASN 130 Ca 0.00 -0.65 -0.20 0.00 0.42 0.00 0.00 52.86 52.43 2gi4 s ASN 130 Cb 0.00 -0.67 -0.17 0.00 -1.45 0.00 0.00 41.25 38.95 2gi4 s ASN 130 CO 0.00 -0.60 0.14 2.22 -3.72 0.00 0.00 177.10 175.14 2gi4 n PHE 131 N -1.55 0.94 0.25 0.43 1.16 -1.26 -1.24 117.46 116.19 2gi4 n PHE 131 Ca 0.03 0.41 0.15 0.00 -1.87 0.00 0.00 57.45 56.17 2gi4 n PHE 131 Cb 0.61 -1.07 0.67 0.00 -1.61 0.00 0.00 39.48 38.09 2gi4 n PHE 131 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 2gi4 h ASP 132 N -1.00 0.00 -0.55 5.98 3.32 -1.98 0.18 116.42 122.37 2gi4 h ASP 132 Ca -0.34 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.78 2gi4 h ASP 132 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 2gi4 h ASP 132 CO -0.21 0.00 0.37 1.05 -1.72 0.00 0.00 179.24 178.73 2gi4 h GLU 133 N 0.00 0.42 -0.96 3.56 4.11 -1.92 -0.95 114.58 118.84 2gi4 h GLU 133 Ca 0.07 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.52 2gi4 h GLU 133 Cb 1.06 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 2gi4 h GLU 133 CO -0.00 0.28 0.62 1.15 0.07 0.00 0.00 179.01 181.13 2gi4 h THR 134 N 0.43 1.14 -0.44 -1.06 2.02 -1.21 -1.44 112.91 112.36 2gi4 h THR 134 Ca 0.25 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 2gi4 h THR 134 Cb 0.40 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2gi4 h THR 134 CO -0.07 0.22 -0.17 0.22 0.37 0.00 0.00 175.52 176.09 2gi4 h TYR 135 N 1.19 1.02 0.44 3.16 3.20 -1.36 0.13 116.97 124.75 2gi4 h TYR 135 Ca 0.39 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2gi4 h TYR 135 Cb 0.05 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2gi4 h TYR 135 CO -0.01 1.02 -0.34 -0.22 -1.64 0.00 0.00 178.16 176.97 2gi4 h LYS 136 N 0.72 -0.74 -0.02 1.82 3.64 -1.01 0.14 116.57 121.11 2gi4 h LYS 136 Ca 0.10 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2gi4 h LYS 136 Cb 0.73 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2gi4 h LYS 136 CO 0.06 -0.49 0.00 0.82 -2.27 0.00 0.00 179.45 177.57 2gi4 h ILE 137 N -0.77 1.20 0.06 2.00 1.08 -1.31 -2.68 117.51 117.09 2gi4 h ILE 137 Ca -0.04 -0.60 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 2gi4 h ILE 137 Cb 0.66 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 2gi4 h ILE 137 CO -0.00 0.16 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.39 2gi4 h LEU 138 N -0.21 -0.43 0.06 1.44 -0.00 -0.93 0.31 115.31 115.54 2gi4 h LEU 138 Ca 0.01 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.97 2gi4 h LEU 138 Cb 0.26 0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.04 2gi4 h LEU 138 CO 0.00 -0.22 -0.32 -1.28 -0.00 0.00 0.00 178.44 176.62 2gi4 h SER 139 N -0.29 -0.93 0.51 -0.43 0.87 -0.76 0.21 113.55 112.73 2gi4 h SER 139 Ca 0.03 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2gi4 h SER 139 Cb 0.32 0.36 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2gi4 h SER 139 CO -0.11 -0.39 -0.25 0.25 -0.53 0.00 0.00 176.83 175.80 2gi4 h LEU 140 N -0.50 -0.58 -0.40 2.23 5.85 -1.37 -2.36 115.31 118.17 2gi4 h LEU 140 Ca 0.05 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2gi4 h LEU 140 Cb 0.56 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2gi4 h LEU 140 CO -0.23 -0.26 -0.01 0.00 -0.34 0.00 0.00 178.44 177.60 2gi4 h ALA 141 N -0.58 0.35 -0.64 1.25 0.00 -0.35 -0.88 119.26 118.41 2gi4 h ALA 141 Ca -0.07 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2gi4 h ALA 141 Cb 0.61 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2gi4 h ALA 141 CO 0.12 -0.40 0.42 0.00 0.00 0.00 0.00 179.25 179.38 2gi4 h LYS 143 N 0.84 -1.23 -0.77 0.00 1.57 -0.84 -0.19 116.57 115.96 2gi4 h LYS 143 Ca 0.24 0.08 0.11 0.00 -1.87 0.00 0.00 60.65 59.21 2gi4 h LYS 143 Cb -0.07 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2gi4 h LYS 143 CO -0.07 -0.82 0.50 -0.91 -0.57 0.00 0.00 179.45 177.59 2gi4 h ASN 144 N -1.31 0.57 -0.32 0.86 2.35 -1.12 -1.08 115.58 115.54 2gi4 h ASN 144 Ca -0.13 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2gi4 h ASN 144 Cb 0.98 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2gi4 h ASN 144 CO 0.21 0.33 0.15 0.25 -1.65 0.00 0.00 177.43 176.72 2gi4 h LEU 145 N 0.63 0.42 -0.76 1.61 6.46 -0.36 -2.11 115.31 121.21 2gi4 h LEU 145 Ca 0.36 -0.13 0.08 0.00 -0.12 0.00 0.00 57.88 58.07 2gi4 h LEU 145 Cb 0.55 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 2gi4 h LEU 145 CO -0.13 0.44 0.42 -0.07 -0.62 0.00 0.00 178.44 178.47 2gi4 h LEU 146 N 0.38 0.60 0.72 2.25 3.38 0.27 0.37 115.31 123.28 2gi4 h LEU 146 Ca 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2gi4 h LEU 146 Cb 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2gi4 h LEU 146 CO -0.01 0.36 -0.35 0.58 0.09 0.00 0.00 178.44 179.11 2gi4 h VAL 147 N 0.73 0.27 0.43 1.22 2.07 -1.13 -0.08 116.25 119.76 2gi4 h VAL 147 Ca 0.36 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 2gi4 h VAL 147 Cb 0.30 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2gi4 h VAL 147 CO -0.23 0.01 -0.21 0.15 0.02 0.00 0.00 177.57 177.31 2gi4 h PHE 148 N -1.01 -0.53 -0.52 1.57 3.57 -1.15 0.64 116.94 119.50 2gi4 h PHE 148 Ca -0.10 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.49 2gi4 h PHE 148 Cb 0.75 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2gi4 h PHE 148 CO -0.02 -0.23 0.03 1.25 -2.23 0.00 0.00 178.31 177.11 2gi4 h LEU 149 N -0.78 -0.16 0.00 0.59 5.85 -0.33 -3.43 115.31 117.05 2gi4 h LEU 149 Ca -0.06 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2gi4 h LEU 149 Cb 0.54 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2gi4 h LEU 149 CO 0.10 -0.05 0.00 -0.24 -0.34 0.00 0.00 178.44 177.90 2gi4 n SER 150 N -5.21 0.00 0.00 1.25 2.88 -0.08 -5.02 113.62 107.44 2gi4 n SER 150 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2gi4 n SER 150 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.00 0.00 0.00 -1.46 4.81 -0.86 -4.65 118.16 116.00 2gi4 n LYS 151 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2gi4 n LYS 151 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2gi4 n LYS 151 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2gi4 n HIS 152 N 0.00 0.00 -3.31 5.64 1.44 0.16 -4.87 115.22 114.28 2gi4 n HIS 152 Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 2gi4 n HIS 152 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 2gi4 n HIS 152 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2gi4 n HIS 153 N 0.00 -2.32 -0.39 -1.40 8.25 -1.26 -4.77 115.22 113.32 2gi4 n HIS 153 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 2gi4 n HIS 153 Cb 0.00 -4.59 0.00 0.00 1.12 0.00 0.00 29.99 26.52 2gi4 n HIS 153 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gi4 n HIS 154 N -4.68 0.00 -1.70 4.41 -0.00 -1.26 -5.09 115.22 106.90 2gi4 n HIS 154 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 2gi4 n HIS 154 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.55 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 0.00 1.33 0.00 1.57 2.46 -1.26 -5.32 115.29 114.06 2gi4 s HIS 155 Ca 0.00 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.33 2gi4 s HIS 155 Cb 0.00 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 2gi4 s HIS 155 CO 0.00 -5.10 0.00 1.58 -2.47 0.00 0.00 174.74 168.75