#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis s VAL 17 N 0.00 5.34 -1.47 1.39 1.01 0.11 -4.31 120.40 122.48 3gis s VAL 17 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 3gis s VAL 17 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3gis s VAL 17 CO 0.00 0.51 0.89 -0.62 0.00 0.00 0.00 175.10 175.89 3gis n GLU 18 N 2.67 -6.42 -0.05 2.72 -0.58 -1.26 -2.03 120.64 115.70 3gis n GLU 18 Ca -0.16 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 3gis n GLU 18 Cb 0.53 -5.83 0.00 0.00 -0.57 0.00 0.00 31.44 25.57 3gis n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gis n GLY 19 N -1.77 4.10 3.21 0.62 0.00 -1.26 -4.48 105.19 105.60 3gis n GLY 19 Ca -0.05 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3gis n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gis s SER 20 N -0.28 0.22 0.38 1.61 1.04 -0.34 -4.93 113.70 111.40 3gis s SER 20 Ca 0.00 -0.95 -0.28 0.00 0.48 0.00 0.00 55.95 55.21 3gis s SER 20 Cb 0.00 0.33 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 3gis s SER 20 CO 0.00 -0.75 1.40 -1.81 0.98 0.00 0.00 173.24 173.06 3gis s ASP 21 N -2.96 6.41 0.66 7.02 1.01 -1.26 -0.99 116.67 126.56 3gis s ASP 21 Ca 0.15 2.87 -0.11 0.00 0.71 0.00 0.00 52.55 56.17 3gis s ASP 21 Cb 0.06 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 3gis s ASP 21 CO -0.04 -0.81 1.05 0.00 0.21 0.00 0.00 175.17 175.59 3gis s ALA 22 N -1.16 2.92 0.35 5.23 0.00 0.00 -4.77 121.76 124.34 3gis s ALA 22 Ca 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 3gis s ALA 22 Cb -0.43 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3gis s ALA 22 CO 0.57 -0.95 0.60 -1.21 0.00 0.00 0.00 175.76 174.78 3gis s GLU 23 N -5.18 3.58 0.16 0.00 2.02 -1.26 -4.93 118.70 113.08 3gis s GLU 23 Ca 0.57 -0.04 -0.33 0.00 0.02 0.00 0.00 54.97 55.18 3gis s GLU 23 Cb -0.12 -2.59 -0.13 0.00 0.10 0.00 0.00 34.13 31.39 3gis s GLU 23 CO 0.54 0.11 1.65 -0.89 0.02 0.00 0.00 175.26 176.69 3gis n ILE 24 N -1.45 0.06 -1.26 -1.63 2.08 -1.26 -1.22 119.36 114.67 3gis n ILE 24 Ca -0.02 -0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.19 3gis n ILE 24 Cb 0.55 -1.73 -0.04 0.00 -0.75 0.00 0.00 39.64 37.67 3gis n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gis n GLY 25 N 3.68 0.99 0.21 7.39 0.00 -1.26 -4.87 105.19 111.34 3gis n GLY 25 Ca 0.17 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3gis n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gis h MET 26 N 0.11 0.00 -2.04 1.61 -1.53 -1.53 -3.34 114.93 108.21 3gis h MET 26 Ca -0.19 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 55.51 3gis h MET 26 Cb 0.87 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.52 3gis h MET 26 CO 0.27 0.30 -1.04 0.43 0.14 0.00 0.00 176.91 177.00 3gis n SER 27 N -3.50 0.57 0.19 1.39 7.64 -1.26 -4.97 113.62 113.68 3gis n SER 27 Ca -0.00 -2.77 0.18 0.00 1.01 0.00 0.00 58.87 57.29 3gis n SER 27 Cb 0.45 -0.64 0.82 0.00 -1.01 0.00 0.00 64.21 63.83 3gis n SER 27 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3gis h PRO 28 N 4.08 0.00 -0.01 1.43 0.11 -1.76 -0.17 132.00 135.69 3gis h PRO 28 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3gis h PRO 28 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3gis h PRO 28 CO 0.50 0.00 -0.25 -2.67 -0.21 0.00 0.00 178.00 175.37 3gis n TRP 29 N -3.67 0.00 -1.97 0.65 2.14 -0.95 -2.40 117.44 111.24 3gis n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 3gis n TRP 29 Cb 0.40 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.72 3gis n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gis s GLN 30 N -2.55 4.22 -0.04 -2.67 2.00 -0.08 -0.99 119.66 119.55 3gis s GLN 30 Ca 0.24 2.30 0.06 0.00 -2.00 0.00 0.00 55.36 55.96 3gis s GLN 30 Cb 0.19 -3.36 -0.01 0.00 0.80 0.00 0.00 33.01 30.63 3gis s GLN 30 CO 0.53 -0.64 -0.24 0.08 -0.50 0.00 0.00 175.29 174.53 3gis s VAL 31 N 1.78 1.91 -0.25 1.34 1.01 0.12 -4.10 120.40 122.22 3gis s VAL 31 Ca 0.71 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3gis s VAL 31 Cb -0.41 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3gis s VAL 31 CO 0.31 0.54 0.09 -0.32 0.00 0.00 0.00 175.10 175.72 3gis s MET 32 N -0.31 3.74 -0.28 2.72 1.75 -0.43 -1.08 119.30 125.40 3gis s MET 32 Ca 0.02 -0.44 -0.19 0.00 -1.25 0.00 0.00 55.69 53.83 3gis s MET 32 Cb -0.12 -3.36 -0.02 0.00 2.84 0.00 0.00 34.83 34.18 3gis s MET 32 CO 0.01 -0.14 0.58 -0.51 -0.65 0.00 0.00 175.02 174.32 3gis s LEU 33 N 1.50 4.11 -0.21 4.11 1.43 -0.42 -0.97 118.68 128.24 3gis s LEU 33 Ca 0.06 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3gis s LEU 33 Cb -0.15 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3gis s LEU 33 CO 0.05 -0.39 -0.10 0.12 0.23 0.00 0.00 176.35 176.25 3gis s PHE 34 N 2.47 2.90 0.16 0.29 5.36 0.32 -0.74 117.98 128.75 3gis s PHE 34 Ca 0.24 -1.22 -0.30 0.00 -0.96 0.00 0.00 56.93 54.68 3gis s PHE 34 Cb -0.15 -2.04 -0.08 0.00 -0.34 0.00 0.00 43.02 40.41 3gis s PHE 34 CO 0.10 -0.65 1.22 0.50 -1.46 0.00 0.00 175.22 174.93 3gis s ARG 35 N 1.40 4.46 -0.03 10.12 3.52 -0.29 -0.32 118.95 137.82 3gis s ARG 35 Ca 0.05 1.89 -0.25 0.00 -0.13 0.00 0.00 55.73 57.29 3gis s ARG 35 Cb -0.14 -3.25 -0.19 0.00 -1.56 0.00 0.00 34.95 29.80 3gis s ARG 35 CO -0.07 -0.15 1.16 0.87 -0.81 0.00 0.00 175.30 176.31 3gis h LYS 36 N 5.57 -0.08 -3.66 5.12 1.57 -1.58 -2.68 116.57 120.84 3gis h LYS 36 Ca -0.44 0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 57.80 3gis h LYS 36 Cb 1.21 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 3gis h LYS 36 CO 0.76 0.41 -0.77 0.45 -0.57 0.00 0.00 179.45 179.74 3gis s SER 36 N -5.62 3.32 0.77 0.86 0.15 -1.26 -2.43 113.70 109.49 3gis s SER 36 Ca -0.15 -1.07 -0.12 0.00 0.70 0.00 0.00 55.95 55.31 3gis s SER 36 Cb 0.01 -0.74 0.05 0.00 -1.71 0.00 0.00 66.02 63.63 3gis s SER 36 CO 0.63 -0.32 1.11 -2.16 1.20 0.00 0.00 173.24 173.70 3gis s PRO 37 N 1.74 2.35 -0.58 5.44 0.04 -1.26 -5.06 135.00 137.66 3gis s PRO 37 Ca 0.01 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.22 3gis s PRO 37 Cb -0.17 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 3gis s PRO 37 CO -0.12 -1.39 1.63 -0.65 0.04 0.00 0.00 177.00 176.51 3gis s GLN 38 N -5.33 3.00 0.17 4.56 -1.52 -1.02 -4.59 119.66 114.94 3gis s GLN 38 Ca 0.60 0.52 -0.21 0.00 -1.95 0.00 0.00 55.36 54.32 3gis s GLN 38 Cb -0.12 -4.25 0.05 0.00 -0.22 0.00 0.00 33.01 28.47 3gis s GLN 38 CO 0.52 -2.30 0.58 -1.83 -0.25 0.00 0.00 175.29 172.01 3gis s GLU 39 N 6.22 1.33 0.28 2.91 -1.05 -1.01 -4.99 118.70 122.38 3gis s GLU 39 Ca 0.59 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 3gis s GLU 39 Cb -0.12 0.57 -0.10 0.00 -0.44 0.00 0.00 34.13 34.03 3gis s GLU 39 CO 0.23 -0.58 1.44 -1.17 0.95 0.00 0.00 175.26 176.13 3gis s LEU 40 N -2.79 4.38 -0.08 1.83 2.96 -1.26 -1.14 118.68 122.59 3gis s LEU 40 Ca 0.03 2.74 -0.08 0.00 -0.22 0.00 0.00 54.13 56.60 3gis s LEU 40 Cb -0.01 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3gis s LEU 40 CO -0.09 -0.72 -0.17 -0.11 -1.32 0.00 0.00 176.35 173.94 3gis n LEU 41 N 1.92 1.30 0.00 -0.68 7.94 0.09 -4.80 117.00 122.76 3gis n LEU 41 Ca 0.05 0.21 -0.05 0.00 -1.11 0.00 0.00 56.01 55.11 3gis n LEU 41 Cb 0.40 -0.48 0.02 0.00 0.53 0.00 0.00 43.42 43.89 3gis n LEU 41 CO 0.61 -0.21 0.32 0.00 -1.11 0.00 0.00 177.39 177.00 3gis s GLY 43 N -2.26 2.10 -0.08 0.00 0.00 0.31 -1.29 107.32 106.10 3gis s GLY 43 Ca 0.10 -1.67 -0.32 0.00 0.00 0.00 0.00 44.72 42.83 3gis s GLY 43 CO 0.07 -1.80 1.39 0.00 0.00 0.00 0.00 173.10 172.76 3gis s ALA 44 N -2.68 -2.60 0.08 3.20 0.00 -0.24 -3.37 121.76 116.15 3gis s ALA 44 Ca 0.46 0.58 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3gis s ALA 44 Cb -0.04 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 3gis s ALA 44 CO 0.29 -1.11 -0.07 -1.54 0.00 0.00 0.00 175.76 173.32 3gis s SER 45 N -3.42 1.06 -0.25 0.00 1.04 0.36 0.15 113.70 112.64 3gis s SER 45 Ca 0.23 -0.86 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 3gis s SER 45 Cb 0.04 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3gis s SER 45 CO -0.05 -0.38 0.38 -0.22 0.98 0.00 0.00 173.24 173.95 3gis s LEU 46 N -2.57 4.07 -0.00 2.42 0.20 -0.17 -0.64 118.68 122.00 3gis s LEU 46 Ca 0.05 0.36 0.09 0.00 0.69 0.00 0.00 54.13 55.31 3gis s LEU 46 Cb 0.00 -2.45 -0.10 0.00 -0.43 0.00 0.00 46.19 43.21 3gis s LEU 46 CO -0.03 -0.15 0.36 2.30 -0.29 0.00 0.00 176.35 178.54 3gis n ILE 47 N 4.88 0.00 -3.46 6.68 -5.35 -0.77 -1.32 119.36 120.02 3gis n ILE 47 Ca -0.08 -0.28 -0.04 0.00 -0.27 0.00 0.00 62.75 62.08 3gis n ILE 47 Cb 0.51 0.90 0.01 0.00 -1.74 0.00 0.00 39.64 39.32 3gis n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gis n SER 48 N -1.30 -1.13 0.00 7.28 3.41 -1.23 -4.66 113.62 116.00 3gis n SER 48 Ca 0.01 -1.75 0.12 0.00 -0.26 0.00 0.00 58.87 57.00 3gis n SER 48 Cb 0.15 1.87 0.65 0.00 -0.26 0.00 0.00 64.21 66.63 3gis n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gis n ASP 49 N -1.21 0.00 0.00 4.04 5.68 -1.26 -3.87 116.55 119.94 3gis n ASP 49 Ca -0.04 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 3gis n ASP 49 Cb 0.31 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3gis n ASP 49 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3gis n ARG 50 N -1.23 0.00 -4.78 0.11 1.85 -1.26 0.43 116.66 111.78 3gis n ARG 50 Ca 0.13 -0.42 -0.26 0.00 -1.00 0.00 0.00 57.85 56.30 3gis n ARG 50 Cb 0.18 -0.49 -0.17 0.00 -1.05 0.00 0.00 32.46 30.93 3gis n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3gis s TRP 51 N 0.00 1.75 -0.03 2.89 0.52 -1.25 -0.77 118.94 122.05 3gis s TRP 51 Ca 0.00 -0.64 0.07 0.00 0.02 0.00 0.00 56.10 55.55 3gis s TRP 51 Cb 0.00 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 3gis s TRP 51 CO 0.00 -0.29 -0.25 0.08 0.02 0.00 0.00 176.95 176.52 3gis s VAL 52 N 0.47 1.97 -0.03 4.03 1.01 -0.42 -1.84 120.40 125.59 3gis s VAL 52 Ca -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.81 3gis s VAL 52 Cb -0.15 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3gis s VAL 52 CO 0.05 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.45 3gis s LEU 53 N -0.41 3.38 0.00 3.92 2.96 0.19 -0.96 118.68 127.76 3gis s LEU 53 Ca 0.04 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3gis s LEU 53 Cb -0.11 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.74 3gis s LEU 53 CO 0.01 0.31 0.51 1.07 -1.32 0.00 0.00 176.35 176.93 3gis n THR 54 N 1.71 0.00 -3.13 3.68 5.66 -0.68 -0.48 114.28 121.04 3gis n THR 54 Ca -0.16 -0.77 -0.39 0.00 -3.05 0.00 0.00 64.05 59.68 3gis n THR 54 Cb 0.53 0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 3gis n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gis s ALA 55 N -1.85 3.50 0.34 1.79 0.00 -1.26 -0.70 121.76 123.57 3gis s ALA 55 Ca 0.12 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3gis s ALA 55 Cb -0.03 -2.80 0.60 0.00 0.00 0.00 0.00 23.12 20.88 3gis s ALA 55 CO 0.09 0.27 1.93 0.00 0.00 0.00 0.00 175.76 178.05 3gis h ALA 56 N 4.87 1.43 0.00 0.00 0.00 -1.70 -2.50 119.26 121.36 3gis h ALA 56 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3gis h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gis h ALA 56 CO 0.66 0.44 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 3gis n HIS 57 N -4.35 0.62 0.01 0.00 1.44 -1.26 -0.96 115.22 110.71 3gis n HIS 57 Ca 0.04 0.24 -0.10 0.00 -2.01 0.00 0.00 57.72 55.89 3gis n HIS 57 Cb 0.15 -0.89 0.05 0.00 0.12 0.00 0.00 29.99 29.42 3gis n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gis n LEU 59 N -3.94 0.39 -3.65 0.00 4.77 -1.00 -4.85 117.00 108.72 3gis n LEU 59 Ca -0.03 0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 3gis n LEU 59 Cb 0.62 0.34 -0.18 0.00 -2.33 0.00 0.00 43.42 41.87 3gis n LEU 59 CO 0.47 0.48 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.45 3gis s LEU 60 N -5.73 0.26 -0.10 2.23 2.96 -0.13 -1.57 118.68 116.60 3gis s LEU 60 Ca -0.09 -0.22 -0.33 0.00 -0.22 0.00 0.00 54.13 53.28 3gis s LEU 60 Cb 0.07 -0.20 0.13 0.00 0.50 0.00 0.00 46.19 46.68 3gis s LEU 60 CO 0.82 -0.29 1.21 -0.47 -1.32 0.00 0.00 176.35 176.31 3gis s TYR 60 N 2.14 -0.10 0.00 5.38 5.04 0.23 -4.11 117.35 125.93 3gis s TYR 60 Ca 0.04 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 3gis s TYR 60 Cb -0.14 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.71 3gis s TYR 60 CO -0.06 -0.27 0.00 -2.30 -1.34 0.00 0.00 175.55 171.58 3gis n PRO 60 N -0.27 0.00 -2.24 4.97 -0.02 -1.26 -2.39 135.00 133.78 3gis n PRO 60 Ca -0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 3gis n PRO 60 Cb 0.60 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.09 3gis n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gis n TRP 60 N 0.00 2.66 -3.38 6.00 8.01 -1.26 -4.89 117.44 124.58 3gis n TRP 60 Ca 0.00 -2.51 -0.13 0.00 -1.31 0.00 0.00 57.50 53.55 3gis n TRP 60 Cb 0.00 -1.35 0.01 0.00 -2.01 0.00 0.00 31.31 27.96 3gis n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3gis n ASP 60 N 0.31 -6.50 -3.57 -0.99 -0.08 -1.24 -5.04 116.55 99.44 3gis n ASP 60 Ca 0.52 -0.52 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 3gis n ASP 60 Cb 0.28 -3.94 -0.06 0.00 2.34 0.00 0.00 41.12 39.73 3gis n ASP 60 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3gis s LYS 60 N -4.11 0.46 -0.36 -0.67 1.02 -1.01 -4.97 119.74 110.10 3gis s LYS 60 Ca 0.10 1.16 0.05 0.00 0.02 0.00 0.00 55.97 57.30 3gis s LYS 60 Cb -0.03 0.51 0.29 0.00 -0.52 0.00 0.00 37.83 38.08 3gis s LYS 60 CO 0.81 -0.31 1.29 -1.71 -0.92 0.00 0.00 175.35 174.51 3gis n ASN 60 N 5.42 -1.50 -4.79 2.83 2.85 -1.13 0.77 115.26 119.71 3gis n ASN 60 Ca -0.09 -2.27 -0.35 0.00 -0.11 0.00 0.00 54.58 51.76 3gis n ASN 60 Cb 0.49 1.30 -0.04 0.00 1.24 0.00 0.00 39.78 42.77 3gis n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3gis s PHE 60 N 0.10 3.21 0.40 1.20 0.08 -0.61 -5.02 117.98 117.35 3gis s PHE 60 Ca 0.18 1.63 0.08 0.00 0.12 0.00 0.00 56.93 58.94 3gis s PHE 60 Cb 0.27 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.64 3gis s PHE 60 CO -0.13 -0.57 0.37 0.95 -0.10 0.00 0.00 175.22 175.73 3gis s THR 60 N -1.82 2.84 0.36 0.64 -4.23 -1.26 -4.93 115.64 107.23 3gis s THR 60 Ca 0.61 -1.33 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 3gis s THR 60 Cb -0.18 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 70.97 3gis s THR 60 CO 0.23 -0.03 1.79 -0.33 -0.54 0.00 0.00 174.62 175.74 3gis h GLU 61 N 1.05 0.56 0.00 3.99 3.07 -1.94 -1.80 114.58 119.51 3gis h GLU 61 Ca -0.42 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3gis h GLU 61 Cb 1.26 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3gis h GLU 61 CO 0.57 0.37 0.00 0.09 -1.40 0.00 0.00 179.01 178.64 3gis n ASN 62 N -4.67 0.14 0.19 1.42 3.02 -1.26 -3.53 115.26 110.57 3gis n ASN 62 Ca 0.23 0.51 0.14 0.00 -0.03 0.00 0.00 54.58 55.43 3gis n ASN 62 Cb 0.69 -0.55 0.42 0.00 -0.61 0.00 0.00 39.78 39.73 3gis n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3gis h ASP 63 N 0.00 0.00 -2.39 6.41 3.45 -1.71 -3.47 116.42 118.71 3gis h ASP 63 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3gis h ASP 63 Cb 0.53 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.16 3gis h ASP 63 CO 0.00 0.00 -0.66 -0.76 -1.57 0.00 0.00 179.24 176.25 3gis s LEU 64 N -5.49 2.61 -0.04 1.55 1.43 -1.23 -1.48 118.68 116.04 3gis s LEU 64 Ca 0.06 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 3gis s LEU 64 Cb 0.09 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3gis s LEU 64 CO 0.57 -0.33 -0.16 -0.76 0.23 0.00 0.00 176.35 175.90 3gis s LEU 65 N -3.55 1.89 -0.37 1.79 1.43 0.57 -4.73 118.68 115.71 3gis s LEU 65 Ca 0.32 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3gis s LEU 65 Cb 0.05 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3gis s LEU 65 CO 0.15 0.14 0.22 -0.69 0.23 0.00 0.00 176.35 176.40 3gis s VAL 66 N 0.05 4.75 -0.30 -1.59 1.01 -0.87 -0.52 120.40 122.92 3gis s VAL 66 Ca -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3gis s VAL 66 Cb -0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3gis s VAL 66 CO 0.02 -0.21 0.16 -0.13 0.00 0.00 0.00 175.10 174.94 3gis s ARG 67 N 1.59 3.47 0.10 2.72 0.52 -0.14 0.34 118.95 127.55 3gis s ARG 67 Ca 0.03 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 3gis s ARG 67 Cb -0.19 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 3gis s ARG 67 CO 0.07 -0.37 -0.11 0.42 0.02 0.00 0.00 175.30 175.33 3gis s ILE 68 N 1.65 3.28 -0.11 1.52 1.01 0.11 -1.32 121.20 127.33 3gis s ILE 68 Ca 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.40 3gis s ILE 68 Cb -0.17 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3gis s ILE 68 CO 0.07 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3gis n GLY 69 N 0.74 0.48 3.87 6.18 0.00 -1.26 0.15 105.19 115.35 3gis n GLY 69 Ca -0.14 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 3gis n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 70 N -1.76 3.62 0.11 1.61 1.02 -1.26 -4.22 119.74 118.85 3gis s LYS 70 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.72 3gis s LYS 70 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3gis s LYS 70 CO 0.00 -0.53 0.00 1.58 -0.92 0.00 0.00 175.35 175.48 3gis n HIS 71 N -2.65 -0.89 -2.46 3.18 -0.00 -1.26 -4.94 115.22 106.21 3gis n HIS 71 Ca 0.06 0.16 -0.40 0.00 -0.00 0.00 0.00 57.72 57.53 3gis n HIS 71 Cb 0.54 0.44 -0.04 0.00 -0.00 0.00 0.00 29.99 30.93 3gis n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3gis s SER 72 N -5.08 7.24 0.12 0.26 0.15 -1.26 -0.33 113.70 114.81 3gis s SER 72 Ca 0.00 2.28 -0.12 0.00 0.70 0.00 0.00 55.95 58.81 3gis s SER 72 Cb 0.00 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 3gis s SER 72 CO 0.00 -0.17 1.43 -0.09 1.20 0.00 0.00 173.24 175.62 3gis h ARG 73 N 3.88 0.86 0.00 5.44 2.43 -1.37 -3.39 114.38 122.22 3gis h ARG 73 Ca -0.47 -0.48 -0.28 0.00 -0.81 0.00 0.00 59.98 57.94 3gis h ARG 73 Cb 1.21 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3gis h ARG 73 CO 0.67 1.12 -2.04 0.25 -1.51 0.00 0.00 179.97 178.47 3gis n THR 74 N -4.10 1.04 -2.33 0.20 -2.24 -1.26 -5.01 114.28 100.58 3gis n THR 74 Ca -0.03 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 3gis n THR 74 Cb 0.55 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 3gis n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gis s ARG 75 N -2.37 4.50 -0.64 -0.78 3.52 -1.26 -4.97 118.95 116.95 3gis s ARG 75 Ca -0.11 1.96 -0.25 0.00 -0.13 0.00 0.00 55.73 57.20 3gis s ARG 75 Cb 0.05 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.31 3gis s ARG 75 CO 0.58 -0.02 1.10 -0.47 -0.81 0.00 0.00 175.30 175.68 3gis s TYR 76 N -0.70 2.57 -1.34 5.12 5.04 -1.26 -4.80 117.35 121.98 3gis s TYR 76 Ca 0.49 -0.10 -0.13 0.00 -2.44 0.00 0.00 57.07 54.89 3gis s TYR 76 Cb -0.35 -4.38 0.11 0.00 0.35 0.00 0.00 41.96 37.69 3gis s TYR 76 CO 0.42 -1.70 1.93 0.39 -1.34 0.00 0.00 175.55 175.25 3gis n GLU 77 N 8.29 3.24 -0.29 4.97 1.02 -1.26 -4.87 120.64 131.74 3gis n GLU 77 Ca 0.02 -3.19 0.15 0.00 -0.02 0.00 0.00 57.16 54.12 3gis n GLU 77 Cb 0.48 -3.16 0.28 0.00 -0.02 0.00 0.00 31.44 29.02 3gis n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3gis n ARG 77 N 5.63 -0.06 0.00 3.49 0.63 -1.26 -1.49 116.66 123.59 3gis n ARG 77 Ca 0.45 1.24 0.12 0.00 -0.92 0.00 0.00 57.85 58.74 3gis n ARG 77 Cb 0.40 -2.01 0.19 0.00 0.45 0.00 0.00 32.46 31.48 3gis n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gis n ASN 78 N -5.16 0.98 -0.04 6.15 4.13 -1.26 -4.61 115.26 115.44 3gis n ASN 78 Ca 0.22 -0.77 -0.07 0.00 1.68 0.00 0.00 54.58 55.64 3gis n ASN 78 Cb 0.71 0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 39.30 3gis n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3gis n ILE 79 N -1.02 0.41 -2.76 2.41 -0.00 -0.65 -5.05 119.36 112.71 3gis n ILE 79 Ca 0.08 -0.12 -0.33 0.00 -0.00 0.00 0.00 62.75 62.38 3gis n ILE 79 Cb 0.36 -1.31 -0.06 0.00 -0.00 0.00 0.00 39.64 38.62 3gis n ILE 79 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 3gis s GLU 80 N -2.14 4.19 -0.08 0.38 -1.05 -0.56 -4.76 118.70 114.69 3gis s GLU 80 Ca -0.10 1.09 0.04 0.00 -0.15 0.00 0.00 54.97 55.85 3gis s GLU 80 Cb 0.04 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3gis s GLU 80 CO 0.14 -0.06 -0.20 0.15 0.95 0.00 0.00 175.26 176.24 3gis s LYS 81 N -3.30 2.51 -0.21 -4.83 3.01 0.12 -4.82 119.74 112.22 3gis s LYS 81 Ca 0.61 -0.73 -0.14 0.00 -1.01 0.00 0.00 55.97 54.71 3gis s LYS 81 Cb -0.09 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.71 3gis s LYS 81 CO 0.16 0.17 0.31 0.42 0.51 0.00 0.00 175.35 176.91 3gis s ILE 82 N 0.35 5.26 0.17 2.17 1.01 -1.26 0.04 121.20 128.94 3gis s ILE 82 Ca -0.15 0.51 0.09 0.00 0.00 0.00 0.00 60.65 61.11 3gis s ILE 82 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3gis s ILE 82 CO 0.06 0.29 -0.14 -0.44 0.00 0.00 0.00 174.94 174.71 3gis s SER 83 N 1.02 4.01 -0.02 3.58 0.01 0.15 -4.96 113.70 117.50 3gis s SER 83 Ca 0.15 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 3gis s SER 83 Cb -0.14 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 3gis s SER 83 CO 0.06 0.12 0.05 -0.04 0.41 0.00 0.00 173.24 173.85 3gis s MET 84 N -2.69 3.00 -0.03 12.44 -1.94 -1.26 -2.06 119.30 126.76 3gis s MET 84 Ca 0.23 -0.49 -0.27 0.00 -1.71 0.00 0.00 55.69 53.45 3gis s MET 84 Cb -0.09 -2.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 3gis s MET 84 CO 0.13 0.65 0.84 -0.51 -0.01 0.00 0.00 175.02 176.12 3gis s LEU 85 N -1.57 4.35 -0.14 -0.03 1.43 -1.26 -0.86 118.68 120.60 3gis s LEU 85 Ca 0.21 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.69 3gis s LEU 85 Cb -0.12 -3.32 -0.24 0.00 0.03 0.00 0.00 46.19 42.54 3gis s LEU 85 CO 0.11 -0.18 0.26 1.21 0.23 0.00 0.00 176.35 177.99 3gis n GLU 86 N 3.81 0.73 -3.58 1.70 2.13 0.47 -4.74 120.64 121.15 3gis n GLU 86 Ca 0.02 0.24 -0.14 0.00 0.66 0.00 0.00 57.16 57.94 3gis n GLU 86 Cb 0.51 -1.67 -0.06 0.00 0.27 0.00 0.00 31.44 30.48 3gis n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3gis s LYS 87 N -2.55 0.83 -0.11 5.31 2.20 -1.18 -4.99 119.74 119.25 3gis s LYS 87 Ca -0.24 0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 55.89 3gis s LYS 87 Cb 0.07 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 3gis s LYS 87 CO 0.74 -0.19 0.00 0.42 -0.36 0.00 0.00 175.35 175.97 3gis s ILE 88 N -0.42 4.31 -0.22 5.43 1.01 -1.26 -1.21 121.20 128.83 3gis s ILE 88 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3gis s ILE 88 Cb -0.03 -2.84 0.06 0.00 0.01 0.00 0.00 42.46 39.66 3gis s ILE 88 CO 0.03 0.57 -0.05 -0.31 0.00 0.00 0.00 174.94 175.18 3gis s TYR 89 N -0.53 2.23 -0.12 3.97 2.02 0.52 -5.00 117.35 120.45 3gis s TYR 89 Ca 0.09 -1.60 -0.07 0.00 -0.37 0.00 0.00 57.07 55.12 3gis s TYR 89 Cb -0.12 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3gis s TYR 89 CO 0.02 -0.74 0.14 0.42 -1.57 0.00 0.00 175.55 173.82 3gis s ILE 90 N 1.45 5.47 0.06 2.71 1.01 -1.26 -0.67 121.20 129.96 3gis s ILE 90 Ca -0.04 0.18 -0.35 0.00 0.00 0.00 0.00 60.65 60.44 3gis s ILE 90 Cb -0.18 -3.38 -0.14 0.00 0.01 0.00 0.00 42.46 38.77 3gis s ILE 90 CO -0.07 0.61 1.62 1.57 0.00 0.00 0.00 174.94 178.67 3gis n HIS 91 N 1.95 2.13 -0.15 3.97 -0.00 -1.07 -4.81 115.22 117.23 3gis n HIS 91 Ca -0.20 0.29 0.27 0.00 -0.00 0.00 0.00 57.72 58.09 3gis n HIS 91 Cb 0.55 -2.53 0.71 0.00 -0.00 0.00 0.00 29.99 28.72 3gis n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3gis h PRO 92 N 6.53 0.02 -0.48 1.57 0.13 -1.95 -1.16 132.00 136.66 3gis h PRO 92 Ca -0.46 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 3gis h PRO 92 Cb 1.28 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3gis h PRO 92 CO 0.89 0.01 0.09 0.54 -0.23 0.00 0.00 178.00 179.30 3gis n ARG 93 N -4.30 3.04 -1.69 0.86 1.74 -1.26 -5.01 116.66 110.04 3gis n ARG 93 Ca 0.17 -3.02 -0.44 0.00 -0.77 0.00 0.00 57.85 53.79 3gis n ARG 93 Cb 0.89 -2.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3gis n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3gis n TYR 94 N -0.49 2.42 -3.62 -1.55 9.36 -0.44 -4.82 117.16 118.02 3gis n TYR 94 Ca 0.32 0.28 -0.38 0.00 3.32 0.00 0.00 57.90 61.43 3gis n TYR 94 Cb 1.13 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 37.22 3gis n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3gis s ASN 95 N 0.71 5.75 -0.00 2.98 2.47 -0.74 -4.86 114.94 121.24 3gis s ASN 95 Ca 0.73 -3.10 0.02 0.00 0.42 0.00 0.00 52.86 50.92 3gis s ASN 95 Cb -0.61 -1.94 -0.26 0.00 -1.45 0.00 0.00 41.25 36.99 3gis s ASN 95 CO 0.42 -0.35 0.82 4.11 -3.72 0.00 0.00 177.10 178.38 3gis h TRP 96 N 6.85 0.29 0.00 0.43 5.08 -1.92 0.81 115.95 127.48 3gis h TRP 96 Ca 0.06 -0.21 -0.00 0.00 1.08 0.00 0.00 58.89 59.82 3gis h TRP 96 Cb 0.93 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 27.07 3gis h TRP 96 CO 0.77 1.28 -0.01 0.00 -1.28 0.00 0.00 178.44 179.21 3gis h ARG 97 N 0.04 0.00 0.00 0.12 3.08 -2.01 -3.43 114.38 112.19 3gis h ARG 97 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3gis h ARG 97 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.04 3gis h ARG 97 CO 0.13 0.01 0.00 -1.91 -1.07 0.00 0.00 179.97 177.13 3gis n GLU 97 N -3.52 0.00 -0.12 0.04 2.13 -1.25 -5.02 120.64 112.89 3gis n GLU 97 Ca -0.03 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.88 3gis n GLU 97 Cb 0.09 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.95 3gis n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3gis n ASN 98 N -0.19 2.57 -1.40 4.31 6.94 -1.26 -4.99 115.26 121.25 3gis n ASN 98 Ca 0.00 -3.00 -0.12 0.00 -0.02 0.00 0.00 54.58 51.44 3gis n ASN 98 Cb 0.00 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 36.99 3gis n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gis n LEU 99 N -1.22 -1.56 -4.76 -4.53 4.32 0.27 -4.99 117.00 104.53 3gis n LEU 99 Ca 0.16 -0.01 -0.38 0.00 -0.02 0.00 0.00 56.01 55.76 3gis n LEU 99 Cb 0.65 -1.93 0.01 0.00 -1.62 0.00 0.00 43.42 40.53 3gis n LEU 99 CO 0.03 -0.13 0.90 -0.62 -1.22 0.00 0.00 177.39 176.35 3gis s ASP 100 N -2.45 5.93 -1.45 -1.43 2.15 -1.20 -2.95 116.67 115.27 3gis s ASP 100 Ca 0.00 2.51 -0.11 0.00 0.43 0.00 0.00 52.55 55.38 3gis s ASP 100 Cb 0.00 -2.62 0.05 0.00 -0.30 0.00 0.00 42.92 40.05 3gis s ASP 100 CO 0.00 -1.10 1.07 0.54 -0.17 0.00 0.00 175.17 175.51 3gis n ARG 101 N -0.52 -6.62 -2.27 4.34 1.74 -1.26 -1.80 116.66 110.27 3gis n ARG 101 Ca 0.07 0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 57.52 3gis n ARG 101 Cb 0.46 -5.66 -0.04 0.00 -1.02 0.00 0.00 32.46 26.20 3gis n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gis s ASP 102 N -3.35 5.74 -0.07 0.55 2.15 -1.15 -4.54 116.67 116.00 3gis s ASP 102 Ca 0.61 -1.34 -0.21 0.00 0.43 0.00 0.00 52.55 52.04 3gis s ASP 102 Cb -0.29 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.80 3gis s ASP 102 CO 0.79 -2.24 0.47 -0.51 -0.17 0.00 0.00 175.17 173.50 3gis s ILE 103 N 8.02 0.03 -0.05 4.11 2.07 -1.26 -3.95 121.20 130.16 3gis s ILE 103 Ca 0.61 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 59.45 3gis s ILE 103 Cb -0.02 -0.75 0.04 0.00 0.13 0.00 0.00 42.46 41.85 3gis s ILE 103 CO 0.01 -0.12 0.41 0.00 -1.91 0.00 0.00 174.94 173.33 3gis s ALA 104 N -0.91 -1.03 0.00 1.50 0.00 0.12 -2.60 121.76 118.85 3gis s ALA 104 Ca -0.10 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3gis s ALA 104 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3gis s ALA 104 CO 0.05 -0.27 -0.12 -0.51 0.00 0.00 0.00 175.76 174.92 3gis s LEU 105 N -0.96 2.90 -0.16 0.00 1.43 0.16 -1.69 118.68 120.37 3gis s LEU 105 Ca -0.10 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3gis s LEU 105 Cb -0.04 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.56 3gis s LEU 105 CO 0.05 0.29 -0.06 -0.04 0.23 0.00 0.00 176.35 176.82 3gis s MET 106 N -1.25 1.46 -0.09 1.70 -1.94 -0.14 -0.35 119.30 118.70 3gis s MET 106 Ca 0.15 -0.47 -0.23 0.00 -1.71 0.00 0.00 55.69 53.44 3gis s MET 106 Cb -0.11 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 3gis s MET 106 CO 0.05 -0.40 0.67 0.21 -0.01 0.00 0.00 175.02 175.54 3gis s LYS 107 N 1.65 4.40 0.33 2.03 2.20 -0.35 -1.30 119.74 128.69 3gis s LYS 107 Ca 0.02 0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 56.20 3gis s LYS 107 Cb -0.15 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 3gis s LYS 107 CO -0.08 0.04 0.90 -0.51 -0.36 0.00 0.00 175.35 175.34 3gis s LEU 108 N 0.90 4.24 0.15 5.43 1.43 0.05 -0.39 118.68 130.48 3gis s LEU 108 Ca 0.35 1.70 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 3gis s LEU 108 Cb -0.17 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.01 3gis s LEU 108 CO 0.16 -0.12 1.68 0.11 0.23 0.00 0.00 176.35 178.41 3gis h LYS 109 N 2.88 0.74 -5.95 1.70 1.57 -1.29 -3.43 116.57 112.79 3gis h LYS 109 Ca -0.47 -0.15 -0.57 0.00 -1.87 0.00 0.00 60.65 57.58 3gis h LYS 109 Cb 1.19 -0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.12 3gis h LYS 109 CO 0.64 0.69 -0.84 0.15 -0.57 0.00 0.00 179.45 179.52 3gis s LYS 110 N -5.45 1.43 0.32 3.15 -0.14 -1.26 -5.01 119.74 112.78 3gis s LYS 110 Ca -0.13 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.36 3gis s LYS 110 Cb 0.11 -1.47 -0.11 0.00 -1.68 0.00 0.00 37.83 34.68 3gis s LYS 110 CO 0.78 0.39 1.43 -1.25 -0.76 0.00 0.00 175.35 175.94 3gis s PRO 111 N -0.89 4.23 0.34 -1.68 0.04 -1.26 -4.85 135.00 130.93 3gis s PRO 111 Ca 0.07 2.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.33 3gis s PRO 111 Cb -0.08 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 3gis s PRO 111 CO 0.01 -0.41 0.81 0.14 0.04 0.00 0.00 177.00 177.59 3gis s VAL 112 N -0.71 4.55 -0.19 -0.36 -7.23 0.17 -5.00 120.40 111.64 3gis s VAL 112 Ca 0.54 1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 61.70 3gis s VAL 112 Cb -0.43 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 3gis s VAL 112 CO 0.53 -0.16 0.66 0.00 -0.31 0.00 0.00 175.10 175.82 3gis s ALA 113 N -1.97 3.53 0.79 1.32 0.00 -1.26 -4.80 121.76 119.37 3gis s ALA 113 Ca 0.55 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3gis s ALA 113 Cb -0.11 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.06 3gis s ALA 113 CO 0.17 -0.55 1.09 -0.06 0.00 0.00 0.00 175.76 176.40 3gis s PHE 114 N 1.90 2.79 0.00 0.00 0.08 -1.26 -4.86 117.98 116.63 3gis s PHE 114 Ca 0.31 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.63 3gis s PHE 114 Cb -0.16 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 3gis s PHE 114 CO 0.11 -1.74 0.00 -1.13 -0.10 0.00 0.00 175.22 172.35 3gis n SER 115 N -3.44 0.00 0.27 1.36 3.41 -0.05 -4.91 113.62 110.26 3gis n SER 115 Ca 0.07 -0.48 0.17 0.00 -0.26 0.00 0.00 58.87 58.37 3gis n SER 115 Cb 0.55 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.13 3gis n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gis h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.99 -3.16 116.42 118.63 3gis h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gis h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gis h ASP 116 CO 0.00 0.00 -0.46 -1.22 -1.72 0.00 0.00 179.24 175.84 3gis n TYR 117 N -3.07 0.00 -4.01 4.55 4.01 -1.26 -4.71 117.16 112.67 3gis n TYR 117 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.45 3gis n TYR 117 Cb 0.33 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.20 3gis n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gis s ILE 118 N -1.92 1.55 -0.28 -0.72 1.01 -1.20 -4.23 121.20 115.41 3gis s ILE 118 Ca 0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 3gis s ILE 118 Cb 0.08 -1.48 0.10 0.00 0.01 0.00 0.00 42.46 41.16 3gis s ILE 118 CO 0.41 0.42 0.81 -2.28 0.00 0.00 0.00 174.94 174.30 3gis s HIS 119 N 1.49 -0.79 0.51 3.97 2.46 -1.01 -0.87 115.29 121.06 3gis s HIS 119 Ca 0.04 1.73 -0.21 0.00 0.47 0.00 0.00 55.06 57.09 3gis s HIS 119 Cb -0.13 0.42 -0.07 0.00 -0.13 0.00 0.00 32.58 32.67 3gis s HIS 119 CO -0.10 -0.38 1.14 -1.25 -2.47 0.00 0.00 174.74 171.67 3gis s PRO 120 N 0.91 3.52 0.24 2.88 0.04 -1.26 -2.25 135.00 139.08 3gis s PRO 120 Ca -0.04 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.68 3gis s PRO 120 Cb -0.05 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3gis s PRO 120 CO -0.10 -0.72 0.38 0.54 0.04 0.00 0.00 177.00 177.14 3gis s VAL 121 N -1.71 5.24 0.39 -0.36 0.11 -0.44 -4.91 120.40 118.73 3gis s VAL 121 Ca 0.69 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 3gis s VAL 121 Cb -0.25 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 3gis s VAL 121 CO 0.29 -0.32 0.72 0.00 -3.33 0.00 0.00 175.10 172.46 3gis s LEU 123 N -3.96 3.43 0.59 0.00 1.43 -1.26 -0.88 118.68 118.03 3gis s LEU 123 Ca 0.48 0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.39 3gis s LEU 123 Cb -0.10 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3gis s LEU 123 CO 0.34 0.26 1.32 -0.81 0.23 0.00 0.00 176.35 177.68 3gis n PRO 124 N 2.95 1.41 -2.75 1.29 -0.04 -1.26 -4.95 135.00 131.64 3gis n PRO 124 Ca -0.18 0.53 -0.20 0.00 -0.04 0.00 0.00 63.50 63.61 3gis n PRO 124 Cb 0.53 -2.54 0.04 0.00 -0.04 0.00 0.00 33.50 31.49 3gis n PRO 124 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3gis s ASP 125 N -1.13 5.23 0.17 3.54 1.47 -1.26 -4.92 116.67 119.78 3gis s ASP 125 Ca 0.77 -0.23 -0.17 0.00 1.18 0.00 0.00 52.55 54.10 3gis s ASP 125 Cb -0.40 -0.61 0.10 0.00 -0.34 0.00 0.00 42.92 41.67 3gis s ASP 125 CO 0.45 -1.16 1.65 -0.09 0.68 0.00 0.00 175.17 176.70 3gis h ARG 126 N 0.14 -0.05 -0.21 2.11 2.43 -1.99 -2.94 114.38 113.88 3gis h ARG 126 Ca -0.40 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3gis h ARG 126 Cb 1.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3gis h ARG 126 CO 0.48 -0.03 -0.04 0.93 -1.51 0.00 0.00 179.97 179.79 3gis h GLU 127 N -0.05 0.40 -1.47 0.20 3.07 -2.04 -2.64 114.58 112.04 3gis h GLU 127 Ca 0.20 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3gis h GLU 127 Cb 0.35 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3gis h GLU 127 CO -0.45 0.64 0.00 2.41 -1.40 0.00 0.00 179.01 180.21 3gis n THR 128 N -4.62 0.05 0.00 1.13 -1.04 -1.11 -0.69 114.28 108.00 3gis n THR 128 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3gis n THR 128 Cb 0.28 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 3gis n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gis n ALA 129 N 0.84 0.00 0.15 2.41 0.00 -1.00 -0.80 120.51 122.11 3gis n ALA 129 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3gis n ALA 129 Cb 0.03 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.62 3gis n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gis h SER 129 N 0.00 0.00 0.00 0.00 0.87 -1.18 -3.37 113.55 109.87 3gis h SER 129 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 3gis h SER 129 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 3gis h SER 129 CO 0.00 0.54 -2.40 0.18 -0.53 0.00 0.00 176.83 174.63 3gis n LEU 129 N -3.43 1.02 -4.53 2.23 4.32 0.02 -4.75 117.00 111.88 3gis n LEU 129 Ca 0.00 -0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.51 3gis n LEU 129 Cb 0.66 0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 42.48 3gis n LEU 129 CO 0.40 0.64 1.69 -0.22 -1.22 0.00 0.00 177.39 178.69 3gis s LEU 130 N -5.82 4.36 0.02 2.23 2.96 -1.26 -4.84 118.68 116.33 3gis s LEU 130 Ca -0.18 -2.63 0.00 0.00 -0.22 0.00 0.00 54.13 51.09 3gis s LEU 130 Cb 0.07 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3gis s LEU 130 CO 0.74 -1.00 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.64 3gis s GLN 131 N 3.11 0.25 0.17 1.98 -0.21 -1.26 -4.91 119.66 118.79 3gis s GLN 131 Ca 0.48 -0.49 -0.33 0.00 0.02 0.00 0.00 55.36 55.04 3gis s GLN 131 Cb 0.01 0.08 -0.15 0.00 1.00 0.00 0.00 33.01 33.95 3gis s GLN 131 CO 0.04 -0.04 1.26 0.00 -2.12 0.00 0.00 175.29 174.43 3gis n ALA 132 N 1.88 -0.30 0.00 6.09 0.00 -1.26 -2.03 120.51 124.90 3gis n ALA 132 Ca -0.22 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3gis n ALA 132 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3gis n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gis n GLY 133 N 2.20 3.01 3.73 0.00 0.00 -0.58 -4.94 105.19 108.61 3gis n GLY 133 Ca 0.15 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3gis n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gis s TYR 134 N -1.86 3.33 0.07 1.61 2.02 -0.86 -4.56 117.35 117.10 3gis s TYR 134 Ca 0.00 1.23 -0.13 0.00 -0.37 0.00 0.00 57.07 57.80 3gis s TYR 134 Cb 0.00 -3.54 -0.06 0.00 -0.40 0.00 0.00 41.96 37.95 3gis s TYR 134 CO 0.00 -1.72 0.45 0.15 -1.57 0.00 0.00 175.55 172.87 3gis s LYS 135 N 0.33 3.89 0.49 -0.62 1.02 -1.26 -0.64 119.74 122.95 3gis s LYS 135 Ca 0.58 0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.95 3gis s LYS 135 Cb -0.34 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3gis s LYS 135 CO 0.34 0.58 0.01 0.20 -0.92 0.00 0.00 175.35 175.56 3gis s GLY 136 N -1.52 2.93 -0.05 -3.33 0.00 0.12 -4.79 107.32 100.69 3gis s GLY 136 Ca 0.31 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.36 3gis s GLY 136 CO 0.17 -2.17 -0.17 -1.60 0.00 0.00 0.00 173.10 169.33 3gis s ARG 137 N -3.85 1.80 -0.05 2.90 3.52 0.19 -1.27 118.95 122.20 3gis s ARG 137 Ca 0.11 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 3gis s ARG 137 Cb 0.03 -1.55 -0.02 0.00 -1.56 0.00 0.00 34.95 31.85 3gis s ARG 137 CO 0.06 0.21 -0.22 0.08 -0.81 0.00 0.00 175.30 174.62 3gis s VAL 138 N 0.12 2.38 0.12 7.11 1.01 -0.29 -0.89 120.40 129.96 3gis s VAL 138 Ca -0.06 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.01 3gis s VAL 138 Cb -0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3gis s VAL 138 CO 0.03 0.57 -0.11 0.42 0.00 0.00 0.00 175.10 176.01 3gis s THR 139 N -0.38 1.12 0.00 3.92 -4.23 -1.25 -1.33 115.64 113.49 3gis s THR 139 Ca 0.03 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3gis s THR 139 Cb -0.12 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.13 3gis s THR 139 CO 0.02 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 3gis n GLY 140 N 0.25 0.22 0.48 3.99 0.00 -0.72 -4.57 105.19 104.84 3gis n GLY 140 Ca -0.14 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.86 3gis n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gis n TRP 141 N -0.53 0.29 -0.39 1.61 8.01 -1.26 -1.45 117.44 123.72 3gis n TRP 141 Ca 0.00 -0.39 -0.30 0.00 -1.31 0.00 0.00 57.50 55.49 3gis n TRP 141 Cb 0.00 -0.02 0.29 0.00 -2.01 0.00 0.00 31.31 29.56 3gis n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3gis s GLY 142 N -0.94 1.42 0.46 6.99 0.00 -1.25 -4.46 107.32 109.54 3gis s GLY 142 Ca 0.17 -0.81 -0.23 0.00 0.00 0.00 0.00 44.72 43.85 3gis s GLY 142 CO 0.12 0.19 0.98 0.70 0.00 0.00 0.00 173.10 175.10 3gis n ASN 143 N -5.62 1.06 0.18 1.64 3.02 0.30 -3.26 115.26 112.58 3gis n ASN 143 Ca 0.12 0.97 0.09 0.00 -0.03 0.00 0.00 54.58 55.73 3gis n ASN 143 Cb 0.60 -1.35 0.10 0.00 -0.61 0.00 0.00 39.78 38.52 3gis n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gis h LEU 144 N 1.27 0.00 -8.39 3.41 3.38 -1.16 -1.60 115.31 112.23 3gis h LEU 144 Ca -0.45 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 3gis h LEU 144 Cb 1.35 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.95 3gis h LEU 144 CO 0.55 0.17 -0.66 -0.54 0.09 0.00 0.00 178.44 178.06 3gis s LYS 145 N -3.14 0.85 0.00 1.13 1.02 -1.26 -4.16 119.74 114.17 3gis s LYS 145 Ca 0.05 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.66 3gis s LYS 145 Cb 0.06 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3gis s LYS 145 CO 0.71 -0.20 0.55 -1.91 -0.92 0.00 0.00 175.35 173.58 3gis n GLU 146 N -0.05 0.29 -0.65 1.68 2.13 -1.26 -4.87 120.64 117.91 3gis n GLU 146 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3gis n GLU 146 Cb 0.63 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.99 3gis n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gis n GLY 150 N 1.73 0.14 3.43 8.31 0.00 -1.26 -5.04 105.19 112.50 3gis n GLY 150 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3gis n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gis s GLN 151 N -1.27 2.26 0.86 1.61 1.11 -1.26 -0.80 119.66 122.17 3gis s GLN 151 Ca 0.00 -0.85 -0.10 0.00 0.01 0.00 0.00 55.36 54.42 3gis s GLN 151 Cb 0.00 -2.23 0.11 0.00 -1.01 0.00 0.00 33.01 29.88 3gis s GLN 151 CO 0.00 0.58 1.13 -1.25 0.01 0.00 0.00 175.29 175.76 3gis s PRO 152 N -0.92 1.50 0.14 2.91 0.04 -1.26 -4.95 135.00 132.46 3gis s PRO 152 Ca 0.12 1.40 0.18 0.00 0.04 0.00 0.00 61.00 62.75 3gis s PRO 152 Cb -0.10 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 3gis s PRO 152 CO 0.02 -2.25 0.99 0.66 0.04 0.00 0.00 177.00 176.46 3gis h SER 153 N -1.58 0.00 -4.27 6.66 4.64 -1.96 -3.43 113.55 113.60 3gis h SER 153 Ca -0.43 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.48 3gis h SER 153 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 3gis h SER 153 CO 0.45 0.37 -0.59 0.68 -0.87 0.00 0.00 176.83 176.88 3gis s VAL 154 N -3.07 0.57 0.25 0.95 -7.23 -1.26 -1.07 120.40 109.54 3gis s VAL 154 Ca -0.01 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.85 3gis s VAL 154 Cb 0.09 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 34.32 3gis s VAL 154 CO 0.79 0.00 1.62 -0.11 -0.31 0.00 0.00 175.10 177.09 3gis n LEU 155 N -0.58 4.00 -4.84 1.32 7.94 0.56 -4.75 117.00 120.64 3gis n LEU 155 Ca -0.01 1.11 -0.31 0.00 -1.11 0.00 0.00 56.01 55.69 3gis n LEU 155 Cb 0.66 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 43.00 3gis n LEU 155 CO 0.37 0.06 -0.21 -1.10 -1.11 0.00 0.00 177.39 175.40 3gis s GLN 156 N 0.22 3.16 0.01 1.96 -1.52 -0.52 -0.82 119.66 122.15 3gis s GLN 156 Ca 0.70 -0.54 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 3gis s GLN 156 Cb -0.53 -2.89 -0.01 0.00 -0.22 0.00 0.00 33.01 29.36 3gis s GLN 156 CO 0.42 0.60 -0.03 0.54 -0.25 0.00 0.00 175.29 176.57 3gis s VAL 157 N -1.40 0.15 -0.10 1.09 0.11 -0.16 -1.76 120.40 118.32 3gis s VAL 157 Ca 0.30 -0.51 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 3gis s VAL 157 Cb -0.12 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 3gis s VAL 157 CO 0.23 -0.23 0.37 0.54 -3.33 0.00 0.00 175.10 172.68 3gis s VAL 158 N -0.76 0.02 -0.20 2.04 0.11 -0.45 -1.20 120.40 119.96 3gis s VAL 158 Ca -0.07 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 58.75 3gis s VAL 158 Cb -0.05 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3gis s VAL 158 CO -0.00 -0.08 0.07 0.20 -3.33 0.00 0.00 175.10 171.96 3gis s ASN 159 N -0.32 5.58 0.03 3.54 0.01 -1.26 -1.13 114.94 121.38 3gis s ASN 159 Ca -0.05 0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.17 3gis s ASN 159 Cb -0.03 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 3gis s ASN 159 CO 0.02 0.12 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.85 3gis s LEU 160 N 0.69 2.14 0.35 0.60 1.43 -0.39 -4.94 118.68 118.55 3gis s LEU 160 Ca 0.04 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 3gis s LEU 160 Cb -0.13 -0.53 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 3gis s LEU 160 CO 0.02 0.03 0.89 -2.16 0.23 0.00 0.00 176.35 175.36 3gis s PRO 161 N -0.92 4.33 0.42 1.29 0.04 -1.26 -0.70 135.00 138.20 3gis s PRO 161 Ca 0.01 1.10 -0.24 0.00 0.04 0.00 0.00 61.00 61.92 3gis s PRO 161 Cb -0.07 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.85 3gis s PRO 161 CO 0.01 0.17 1.09 0.42 0.04 0.00 0.00 177.00 178.72 3gis s ILE 162 N -1.86 3.51 0.05 0.56 1.01 0.19 -1.11 121.20 123.55 3gis s ILE 162 Ca 0.54 1.14 0.05 0.00 0.00 0.00 0.00 60.65 62.38 3gis s ILE 162 Cb -0.14 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3gis s ILE 162 CO 0.19 -0.00 -0.06 -0.69 0.00 0.00 0.00 174.94 174.37 3gis s VAL 163 N -1.62 3.65 0.33 2.92 1.01 -0.67 -1.53 120.40 124.49 3gis s VAL 163 Ca 0.60 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3gis s VAL 163 Cb -0.24 -2.66 -0.11 0.00 0.00 0.00 0.00 36.38 33.37 3gis s VAL 163 CO 0.30 0.25 1.40 -1.83 0.00 0.00 0.00 175.10 175.22 3gis s GLU 164 N -1.85 4.25 0.19 2.72 1.03 -1.26 -4.66 118.70 119.12 3gis s GLU 164 Ca 0.20 2.36 -0.14 0.00 0.03 0.00 0.00 54.97 57.42 3gis s GLU 164 Cb -0.11 -3.04 0.20 0.00 -0.80 0.00 0.00 34.13 30.37 3gis s GLU 164 CO 0.12 -0.36 1.65 0.00 -1.33 0.00 0.00 175.26 175.34 3gis h ARG 165 N 3.60 0.02 -0.09 -4.83 3.08 -1.98 -0.89 114.38 113.29 3gis h ARG 165 Ca -0.49 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.57 3gis h ARG 165 Cb 1.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3gis h ARG 165 CO 0.68 0.01 0.06 -1.00 -1.07 0.00 0.00 179.97 178.65 3gis h PRO 166 N 0.02 0.06 0.01 0.04 0.13 -1.99 -0.70 132.00 129.57 3gis h PRO 166 Ca 0.27 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.20 3gis h PRO 166 Cb 0.41 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3gis h PRO 166 CO -0.54 0.04 -0.89 0.28 -0.23 0.00 0.00 178.00 176.66 3gis h VAL 167 N 0.06 1.58 -0.18 1.56 2.07 -1.58 -2.50 116.25 117.26 3gis h VAL 167 Ca 0.04 -2.87 -0.01 0.00 0.82 0.00 0.00 66.70 64.68 3gis h VAL 167 Cb 0.08 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3gis h VAL 167 CO -0.00 0.82 0.06 0.00 0.02 0.00 0.00 177.57 178.47 3gis h LYS 169 N 0.11 0.00 0.00 0.00 1.57 -1.19 -1.91 116.57 115.15 3gis h LYS 169 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gis h LYS 169 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3gis h LYS 169 CO -0.00 0.23 0.00 -0.44 -0.57 0.00 0.00 179.45 178.67 3gis h ASP 170 N 0.00 0.00 1.71 0.86 3.32 -1.28 -3.26 116.42 117.77 3gis h ASP 170 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gis h ASP 170 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3gis h ASP 170 CO 0.03 0.00 -0.01 0.77 -1.72 0.00 0.00 179.24 178.31 3gis h SER 171 N 0.00 0.00 -5.06 6.45 4.64 -0.98 -3.46 113.55 115.13 3gis h SER 171 Ca 0.00 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3gis h SER 171 Cb 0.75 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.68 3gis h SER 171 CO 0.00 0.00 -0.17 0.28 -0.87 0.00 0.00 176.83 176.07 3gis s THR 172 N -3.15 0.07 -1.54 2.95 -1.32 -1.23 -4.81 115.64 106.61 3gis s THR 172 Ca 0.09 -0.61 0.26 0.00 -1.21 0.00 0.00 61.69 60.22 3gis s THR 172 Cb 0.09 -1.02 0.23 0.00 -1.51 0.00 0.00 72.50 70.29 3gis s THR 172 CO 0.63 -0.34 1.57 0.54 -2.21 0.00 0.00 174.62 174.82 3gis n ARG 173 N 0.34 0.60 -2.04 7.08 5.12 -1.26 -4.80 116.66 121.69 3gis n ARG 173 Ca -0.18 -0.33 -0.41 0.00 -1.93 0.00 0.00 57.85 55.00 3gis n ARG 173 Cb 0.61 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.40 3gis n ARG 173 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gis s ILE 174 N -2.63 2.58 0.08 0.55 1.01 -1.26 -4.92 121.20 116.61 3gis s ILE 174 Ca 0.21 0.57 -0.31 0.00 0.00 0.00 0.00 60.65 61.13 3gis s ILE 174 Cb 0.19 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 3gis s ILE 174 CO 0.56 0.13 1.74 -0.13 0.00 0.00 0.00 174.94 177.24 3gis s ARG 175 N -1.75 4.17 -0.27 2.79 1.81 -1.26 -4.97 118.95 119.48 3gis s ARG 175 Ca 0.50 2.44 -0.05 0.00 -1.72 0.00 0.00 55.73 56.90 3gis s ARG 175 Cb -0.41 -3.65 0.01 0.00 -0.45 0.00 0.00 34.95 30.44 3gis s ARG 175 CO 0.54 -0.79 0.03 0.42 -0.68 0.00 0.00 175.30 174.82 3gis s ILE 176 N 2.86 3.66 0.63 1.52 1.01 -1.26 -4.93 121.20 124.69 3gis s ILE 176 Ca 0.77 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.75 3gis s ILE 176 Cb -0.42 -2.84 0.08 0.00 0.01 0.00 0.00 42.46 39.30 3gis s ILE 176 CO 0.34 0.18 0.87 0.42 0.00 0.00 0.00 174.94 176.75 3gis s THR 177 N 1.47 2.36 -1.03 2.92 -4.23 -1.26 -4.99 115.64 110.89 3gis s THR 177 Ca 0.03 -0.69 0.21 0.00 -1.18 0.00 0.00 61.69 60.06 3gis s THR 177 Cb -0.16 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.19 3gis s THR 177 CO 0.00 0.00 1.69 0.47 -0.54 0.00 0.00 174.62 176.24 3gis n ASP 178 N -2.54 0.00 -0.64 3.99 8.00 -1.26 -2.59 116.55 121.50 3gis n ASP 178 Ca 0.12 0.47 0.05 0.00 0.71 0.00 0.00 54.79 56.14 3gis n ASP 178 Cb 0.60 -0.49 0.15 0.00 -0.02 0.00 0.00 41.12 41.36 3gis n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gis n ASN 179 N -1.49 1.85 -4.07 -2.24 3.02 -1.26 -4.82 115.26 106.26 3gis n ASN 179 Ca 0.05 -2.04 -0.07 0.00 -0.03 0.00 0.00 54.58 52.49 3gis n ASN 179 Cb 0.25 -0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3gis n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gis s MET 180 N -1.59 0.64 0.05 3.52 0.23 -1.07 0.66 119.30 121.74 3gis s MET 180 Ca 0.22 -1.20 -0.10 0.00 -1.03 0.00 0.00 55.69 53.57 3gis s MET 180 Cb 0.12 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 3gis s MET 180 CO 0.14 -0.13 0.23 -0.59 -2.03 0.00 0.00 175.02 172.64 3gis s PHE 181 N -3.92 0.03 0.21 3.16 -0.12 -0.60 -4.79 117.98 111.96 3gis s PHE 181 Ca 0.07 -0.28 0.10 0.00 -0.05 0.00 0.00 56.93 56.78 3gis s PHE 181 Cb 0.08 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3gis s PHE 181 CO -0.10 -0.48 -0.17 0.00 -0.05 0.00 0.00 175.22 174.42 3gis s ALA 183 N -1.84 -0.12 0.00 0.00 0.00 -0.51 -1.67 121.76 117.62 3gis s ALA 183 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3gis s ALA 183 Cb -0.08 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3gis s ALA 183 CO 0.13 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3gis n GLY 184 N -0.04 3.40 3.82 0.00 0.00 -0.27 -1.88 105.19 110.22 3gis n GLY 184 Ca -0.15 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 3gis n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gis s TYR 184 N -2.01 3.64 0.50 1.61 2.02 -1.26 -4.46 117.35 117.39 3gis s TYR 184 Ca 0.00 1.27 -0.19 0.00 -0.37 0.00 0.00 57.07 57.78 3gis s TYR 184 Cb 0.00 -2.53 -0.08 0.00 -0.40 0.00 0.00 41.96 38.95 3gis s TYR 184 CO 0.00 0.38 1.00 0.21 -1.57 0.00 0.00 175.55 175.57 3gis s LYS 185 N -1.93 3.90 0.28 -0.62 2.20 -1.26 -4.82 119.74 117.49 3gis s LYS 185 Ca 0.41 1.13 -0.01 0.00 -0.36 0.00 0.00 55.97 57.13 3gis s LYS 185 Cb -0.16 -2.12 0.62 0.00 -1.51 0.00 0.00 37.83 34.66 3gis s LYS 185 CO 0.20 -0.32 1.63 -1.35 -0.36 0.00 0.00 175.35 175.16 3gis h PRO 186 N 1.27 0.15 0.00 4.03 0.11 -1.96 -1.19 132.00 134.41 3gis h PRO 186 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gis h PRO 186 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gis h PRO 186 CO 0.60 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3gis n ASP 186 N -5.30 0.00 -0.26 -2.05 5.68 -1.26 -2.79 116.55 110.58 3gis n ASP 186 Ca 0.19 -0.86 0.15 0.00 -0.50 0.00 0.00 54.79 53.76 3gis n ASP 186 Cb 0.62 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.29 3gis n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gis n GLU 186 N -0.99 1.29 -1.34 0.11 1.02 -0.45 -4.93 120.64 115.34 3gis n GLU 186 Ca 0.20 -0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 56.70 3gis n GLU 186 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 3gis n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gis n GLY 186 N 1.13 1.15 3.35 0.62 0.00 -1.12 -4.95 105.19 105.36 3gis n GLY 186 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3gis n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 186 N -3.01 1.30 0.37 1.61 1.02 -1.26 -5.15 119.74 114.61 3gis s LYS 186 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 3gis s LYS 186 Cb 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 3gis s LYS 186 CO 0.00 0.36 0.04 0.54 -0.92 0.00 0.00 175.35 175.37 3gis n ARG 187 N 0.75 1.09 0.00 1.68 1.74 -1.26 -4.66 116.66 116.00 3gis n ARG 187 Ca -0.17 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.27 3gis n ARG 187 Cb 0.54 0.65 0.00 0.00 -1.02 0.00 0.00 32.46 32.64 3gis n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gis n GLY 188 N 0.59 4.21 3.61 -0.13 0.00 -1.25 -4.92 105.19 107.30 3gis n GLY 188 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3gis n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gis s ASP 189 N 0.00 -0.00 0.42 1.61 2.15 -0.86 -4.67 116.67 115.32 3gis s ASP 189 Ca 0.00 -0.00 -0.05 0.00 0.43 0.00 0.00 52.55 52.93 3gis s ASP 189 Cb 0.00 0.00 -0.04 0.00 -0.30 0.00 0.00 42.92 42.58 3gis s ASP 189 CO 0.00 -0.01 0.72 0.00 -0.17 0.00 0.00 175.17 175.71 3gis s ALA 190 N -2.01 3.47 0.00 3.66 0.00 -1.26 0.05 121.76 125.66 3gis s ALA 190 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3gis s ALA 190 Cb 0.02 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3gis s ALA 190 CO -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 175.76 175.55 3gis s GLU 192 N -0.69 4.14 0.00 0.00 2.56 -1.26 -1.59 118.70 121.86 3gis s GLU 192 Ca 0.00 2.61 0.00 0.00 0.00 0.00 0.00 54.97 57.58 3gis s GLU 192 Cb 0.00 -4.16 0.00 0.00 2.00 0.00 0.00 34.13 31.97 3gis s GLU 192 CO 0.00 -0.95 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 3gis n GLY 193 N 4.54 0.73 0.02 -1.50 0.00 -1.26 -0.54 105.19 107.18 3gis n GLY 193 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3gis n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gis n ASP 194 N 0.00 0.65 -4.57 1.61 8.00 -0.62 -3.78 116.55 117.84 3gis n ASP 194 Ca 0.00 -0.34 -0.41 0.00 0.71 0.00 0.00 54.79 54.75 3gis n ASP 194 Cb 0.00 0.75 0.02 0.00 -0.02 0.00 0.00 41.12 41.87 3gis n ASP 194 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gis n ALA 195 N -1.72 -0.23 0.00 2.24 0.00 -1.26 -1.39 120.51 118.15 3gis n ALA 195 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3gis n ALA 195 Cb 0.40 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3gis n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gis n GLY 196 N 1.35 3.07 3.69 0.00 0.00 -0.36 0.11 105.19 113.05 3gis n GLY 196 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3gis n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gis s GLY 197 N -1.59 1.67 0.13 -0.02 0.00 -0.49 -2.62 107.32 104.41 3gis s GLY 197 Ca 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 3gis s GLY 197 CO 0.00 0.84 0.37 2.56 0.00 0.00 0.00 173.10 176.87 3gis s PRO 198 N -4.72 3.63 -0.38 2.90 0.04 -1.26 -0.92 135.00 134.28 3gis s PRO 198 Ca 0.65 -0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 3gis s PRO 198 Cb -0.21 -2.88 0.08 0.00 0.04 0.00 0.00 34.50 31.53 3gis s PRO 198 CO 0.58 0.49 0.17 0.12 0.04 0.00 0.00 177.00 178.40 3gis s PHE 199 N -1.61 3.39 0.26 0.56 2.19 -0.14 -3.85 117.98 118.78 3gis s PHE 199 Ca 0.39 -1.86 0.08 0.00 0.33 0.00 0.00 56.93 55.87 3gis s PHE 199 Cb -0.12 -2.79 -0.04 0.00 -1.31 0.00 0.00 43.02 38.76 3gis s PHE 199 CO 0.23 -0.86 0.16 0.14 1.83 0.00 0.00 175.22 176.72 3gis s VAL 200 N 1.30 4.12 -0.00 3.12 -7.23 -0.07 -0.80 120.40 120.84 3gis s VAL 200 Ca 0.02 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3gis s VAL 200 Cb -0.22 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3gis s VAL 200 CO -0.00 -0.34 0.01 -0.04 -0.31 0.00 0.00 175.10 174.42 3gis s MET 201 N -3.81 0.02 -0.29 4.82 -1.94 0.33 0.57 119.30 118.99 3gis s MET 201 Ca 0.33 0.00 -0.19 0.00 -1.71 0.00 0.00 55.69 54.12 3gis s MET 201 Cb -0.07 0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3gis s MET 201 CO 0.24 -0.00 0.58 0.21 -0.01 0.00 0.00 175.02 176.04 3gis s LYS 202 N -0.02 3.95 0.11 2.03 2.20 -1.26 -0.83 119.74 125.92 3gis s LYS 202 Ca -0.00 0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.59 3gis s LYS 202 Cb -0.00 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 3gis s LYS 202 CO -0.00 -0.49 1.60 0.45 -0.36 0.00 0.00 175.35 176.55 3gis s SER 203 N 1.60 6.62 0.00 1.43 0.15 -0.22 -4.86 113.70 118.42 3gis s SER 203 Ca 0.23 2.51 0.30 0.00 0.70 0.00 0.00 55.95 59.70 3gis s SER 203 Cb -0.15 -2.58 1.51 0.00 -1.71 0.00 0.00 66.02 63.09 3gis s SER 203 CO 0.11 -0.84 2.04 -0.81 1.20 0.00 0.00 173.24 174.93 3gis n PRO 204 N 4.86 0.52 -0.05 5.44 -0.04 -1.26 -1.78 135.00 142.69 3gis n PRO 204 Ca 0.15 -0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 3gis n PRO 204 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 3gis n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gis n PHE 204 N -1.21 1.05 -0.08 0.54 3.72 -1.26 -4.58 117.46 115.64 3gis n PHE 204 Ca 0.15 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.85 3gis n PHE 204 Cb 0.24 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 3gis n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3gis n ASN 204 N -3.85 1.37 -0.88 4.37 0.23 -1.25 -5.00 115.26 110.24 3gis n ASN 204 Ca -0.34 -1.45 -0.11 0.00 -0.53 0.00 0.00 54.58 52.15 3gis n ASN 204 Cb 0.90 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.56 3gis n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3gis n ASN 205 N -0.22 -4.87 -4.90 0.53 5.15 -0.73 -5.00 115.26 105.22 3gis n ASN 205 Ca 0.00 0.28 -0.30 0.00 -0.60 0.00 0.00 54.58 53.96 3gis n ASN 205 Cb 0.14 -3.38 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 3gis n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gis s ARG 206 N -2.84 3.33 -0.17 1.20 0.52 -1.25 -4.80 118.95 114.93 3gis s ARG 206 Ca 0.00 -0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 3gis s ARG 206 Cb 0.00 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 3gis s ARG 206 CO 0.00 0.58 0.72 -1.58 0.02 0.00 0.00 175.30 175.04 3gis s TRP 207 N -1.54 3.41 -0.05 -0.53 0.52 -1.26 -1.05 118.94 118.45 3gis s TRP 207 Ca 0.34 1.10 0.03 0.00 0.02 0.00 0.00 56.10 57.58 3gis s TRP 207 Cb -0.12 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 3gis s TRP 207 CO 0.27 -0.18 -0.11 0.71 0.02 0.00 0.00 176.95 177.66 3gis s TYR 208 N 1.90 2.80 -0.54 -1.98 1.51 -0.01 -1.69 117.35 119.35 3gis s TYR 208 Ca 0.34 -0.08 -0.20 0.00 -1.01 0.00 0.00 57.07 56.11 3gis s TYR 208 Cb -0.16 -1.65 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 3gis s TYR 208 CO 0.12 0.26 0.71 -1.14 -1.11 0.00 0.00 175.55 174.39 3gis s GLN 209 N -0.85 3.14 0.12 -0.62 0.74 -0.06 -0.51 119.66 121.62 3gis s GLN 209 Ca 0.12 -0.85 0.15 0.00 0.05 0.00 0.00 55.36 54.84 3gis s GLN 209 Cb -0.11 -4.12 -0.10 0.00 1.10 0.00 0.00 33.01 29.78 3gis s GLN 209 CO 0.02 -1.35 1.02 0.52 -0.55 0.00 0.00 175.29 174.94 3gis h MET 210 N 9.12 0.00 -3.98 1.67 2.86 -1.30 -3.40 114.93 119.90 3gis h MET 210 Ca -0.28 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 3gis h MET 210 Cb 1.09 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 3gis h MET 210 CO 1.02 0.43 -0.18 0.20 1.06 0.00 0.00 176.91 179.44 3gis s GLY 211 N -4.73 1.19 -0.10 8.32 0.00 -0.90 -1.85 107.32 109.25 3gis s GLY 211 Ca -0.01 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.40 3gis s GLY 211 CO 0.80 -0.90 -0.14 -0.42 0.00 0.00 0.00 173.10 172.44 3gis s ILE 212 N -3.36 1.36 -0.05 0.90 1.01 -0.89 -0.96 121.20 119.21 3gis s ILE 212 Ca 0.28 -0.56 -0.34 0.00 0.00 0.00 0.00 60.65 60.04 3gis s ILE 212 Cb -0.00 -1.25 -0.11 0.00 0.01 0.00 0.00 42.46 41.10 3gis s ILE 212 CO 0.16 0.41 1.87 0.52 0.00 0.00 0.00 174.94 177.91 3gis n VAL 213 N 4.22 0.57 0.01 2.92 0.31 -0.09 -0.44 118.33 125.83 3gis n VAL 213 Ca -0.19 -0.10 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3gis n VAL 213 Cb 0.51 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3gis n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gis n SER 214 N 6.54 0.37 -2.19 4.52 2.88 -0.82 -1.23 113.62 123.69 3gis n SER 214 Ca 0.22 0.05 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 3gis n SER 214 Cb 0.31 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 3gis n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3gis n TRP 215 N -2.84 -1.30 -3.87 0.66 4.27 -0.97 -4.90 117.44 108.50 3gis n TRP 215 Ca -0.00 -1.36 0.05 0.00 -3.89 0.00 0.00 57.50 52.29 3gis n TRP 215 Cb 0.01 0.41 0.01 0.00 -1.36 0.00 0.00 31.31 30.38 3gis n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 3gis s GLY 216 N -2.32 -0.32 -0.60 -1.67 0.00 -1.26 -0.69 107.32 100.46 3gis s GLY 216 Ca 0.15 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 3gis s GLY 216 CO 0.11 4.58 0.43 -0.54 0.00 0.00 0.00 173.10 177.68 3gis s GLU 217 N -2.01 2.55 2.44 2.90 2.02 -1.26 -4.98 118.70 120.37 3gis s GLU 217 Ca 0.26 -2.41 0.00 0.00 0.02 0.00 0.00 54.97 52.84 3gis s GLU 217 Cb 0.03 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.50 3gis s GLU 217 CO -0.04 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.48 3gis n GLY 219 N 3.70 -0.57 3.12 -1.39 0.00 -1.26 -4.79 105.19 104.01 3gis n GLY 219 Ca 0.06 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 3gis n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gis n ASP 221 N 4.17 -5.08 -4.81 0.00 2.03 -1.26 -4.63 116.55 106.97 3gis n ASP 221 Ca -0.24 -0.55 -0.36 0.00 0.52 0.00 0.00 54.79 54.16 3gis n ASP 221 Cb 0.54 -4.08 -0.06 0.00 -0.72 0.00 0.00 41.12 36.80 3gis n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gis s ARG 221 N -6.24 4.27 0.27 -0.67 0.52 -1.26 -4.95 118.95 110.88 3gis s ARG 221 Ca 0.52 0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 56.34 3gis s ARG 221 Cb -0.25 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.32 3gis s ARG 221 CO 0.64 0.34 1.39 -0.51 0.02 0.00 0.00 175.30 177.18 3gis s ASP 222 N -1.73 6.70 0.00 0.23 1.01 -1.26 -2.28 116.67 119.34 3gis s ASP 222 Ca 0.46 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.37 3gis s ASP 222 Cb -0.16 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.14 3gis s ASP 222 CO 0.21 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.55 3gis n GLY 223 N 1.82 1.75 3.73 0.21 0.00 -1.26 -5.02 105.19 106.43 3gis n GLY 223 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3gis n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 224 N -0.16 2.30 0.06 1.61 -0.14 -0.97 -4.75 119.74 117.69 3gis s LYS 224 Ca 0.00 -1.66 -0.00 0.00 -1.36 0.00 0.00 55.97 52.94 3gis s LYS 224 Cb 0.00 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 3gis s LYS 224 CO 0.00 0.02 -0.04 0.71 -0.76 0.00 0.00 175.35 175.28 3gis s TYR 225 N -2.49 0.57 0.31 3.18 2.02 -1.26 -4.76 117.35 114.91 3gis s TYR 225 Ca 0.39 -0.93 -0.15 0.00 -0.37 0.00 0.00 57.07 56.01 3gis s TYR 225 Cb -0.00 -0.39 -0.09 0.00 -0.40 0.00 0.00 41.96 41.08 3gis s TYR 225 CO 0.23 -0.29 0.72 0.20 -1.57 0.00 0.00 175.55 174.84 3gis s GLY 226 N -2.67 2.34 0.01 0.71 0.00 -0.79 -4.64 107.32 102.27 3gis s GLY 226 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 44.72 44.84 3gis s GLY 226 CO -0.07 0.22 -0.19 -1.36 0.00 0.00 0.00 173.10 171.70 3gis s PHE 227 N -1.96 2.53 0.09 1.90 0.40 0.14 -1.43 117.98 119.65 3gis s PHE 227 Ca 0.53 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 3gis s PHE 227 Cb -0.10 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 3gis s PHE 227 CO 0.18 0.17 -0.14 0.71 0.70 0.00 0.00 175.22 176.84 3gis s TYR 228 N -0.81 1.30 0.06 0.36 1.51 0.56 -1.95 117.35 118.39 3gis s TYR 228 Ca 0.13 -0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 3gis s TYR 228 Cb -0.10 -0.71 -0.06 0.00 -0.11 0.00 0.00 41.96 40.98 3gis s TYR 228 CO 0.03 0.09 1.25 0.99 -1.11 0.00 0.00 175.55 176.80 3gis s THR 229 N -1.65 3.87 -0.88 -0.71 2.01 0.42 -1.55 115.64 117.14 3gis s THR 229 Ca 0.03 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.11 3gis s THR 229 Cb -0.08 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.60 3gis s THR 229 CO 0.02 0.09 1.54 -2.28 -0.69 0.00 0.00 174.62 173.30 3gis s HIS 230 N 1.20 2.25 0.11 4.92 2.46 0.21 -2.09 115.29 124.34 3gis s HIS 230 Ca 0.60 -0.21 -0.33 0.00 0.47 0.00 0.00 55.06 55.59 3gis s HIS 230 Cb -0.31 -4.50 -0.13 0.00 -0.13 0.00 0.00 32.58 27.51 3gis s HIS 230 CO 0.29 -1.98 1.57 0.28 -2.47 0.00 0.00 174.74 172.43 3gis h VAL 231 N 6.69 0.09 -0.94 0.89 2.07 -1.67 -2.44 116.25 120.94 3gis h VAL 231 Ca 0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.74 3gis h VAL 231 Cb 1.04 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 3gis h VAL 231 CO 1.33 0.00 0.50 0.15 0.02 0.00 0.00 177.57 179.57 3gis h PHE 232 N -0.75 0.86 -0.07 1.57 3.57 -1.86 0.54 116.94 120.81 3gis h PHE 232 Ca -0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3gis h PHE 232 Cb 0.74 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3gis h PHE 232 CO -0.37 0.08 0.08 0.00 -2.23 0.00 0.00 178.31 175.87 3gis h ARG 233 N 0.57 0.00 -0.48 1.11 2.47 -1.81 -1.58 114.38 114.65 3gis h ARG 233 Ca 0.57 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 3gis h ARG 233 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3gis h ARG 233 CO -0.45 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.36 3gis n LEU 234 N -3.78 3.89 0.00 3.04 7.99 0.18 -4.65 117.00 123.68 3gis n LEU 234 Ca -0.01 -2.35 0.01 0.00 -0.01 0.00 0.00 56.01 53.64 3gis n LEU 234 Cb 0.18 -0.44 0.32 0.00 -0.11 0.00 0.00 43.42 43.36 3gis n LEU 234 CO 0.27 0.78 0.97 0.50 -1.51 0.00 0.00 177.39 178.40 3gis h LYS 235 N 2.99 0.52 -0.92 3.23 3.64 -0.73 -2.51 116.57 122.80 3gis h LYS 235 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3gis h LYS 235 Cb 1.16 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3gis h LYS 235 CO 0.13 0.52 0.57 0.87 -2.27 0.00 0.00 179.45 179.26 3gis h LYS 236 N 0.50 1.23 -0.33 1.90 1.57 -1.82 -0.45 116.57 119.18 3gis h LYS 236 Ca 0.11 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3gis h LYS 236 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3gis h LYS 236 CO 0.00 0.85 -0.27 2.35 -0.57 0.00 0.00 179.45 181.82 3gis h TRP 237 N 1.26 0.77 0.04 -1.35 7.01 -1.82 -0.54 115.95 121.31 3gis h TRP 237 Ca 0.33 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3gis h TRP 237 Cb -0.08 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3gis h TRP 237 CO 0.00 0.87 -0.02 0.82 -2.79 0.00 0.00 178.44 177.32 3gis h ILE 238 N 0.58 1.07 -0.18 2.65 2.04 -0.98 -1.67 117.51 121.02 3gis h ILE 238 Ca 0.08 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3gis h ILE 238 Cb 0.75 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3gis h ILE 238 CO 0.06 0.08 0.04 -0.61 0.00 0.00 0.00 178.15 177.72 3gis h GLN 239 N -0.19 0.11 -0.76 2.37 4.15 -0.96 -1.48 115.11 118.36 3gis h GLN 239 Ca -0.01 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.53 3gis h GLN 239 Cb 0.17 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.75 3gis h GLN 239 CO 0.01 0.07 0.36 -0.22 -1.93 0.00 0.00 178.83 177.12 3gis h LYS 240 N 0.11 0.55 -0.27 1.69 3.64 -0.97 -2.15 116.57 119.16 3gis h LYS 240 Ca 0.08 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3gis h LYS 240 Cb 0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3gis h LYS 240 CO -0.11 0.36 -0.11 0.28 -2.27 0.00 0.00 179.45 177.61 3gis h VAL 241 N 0.56 1.29 -0.21 2.00 2.07 -0.92 -3.30 116.25 117.74 3gis h VAL 241 Ca 0.39 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3gis h VAL 241 Cb 0.50 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3gis h VAL 241 CO -0.33 0.37 0.08 0.40 0.02 0.00 0.00 177.57 178.11 3gis h ILE 242 N 0.30 0.95 -3.16 4.57 2.04 -0.67 -3.08 117.51 118.45 3gis h ILE 242 Ca 0.06 -0.06 -0.80 0.00 1.00 0.00 0.00 64.86 65.06 3gis h ILE 242 Cb 0.61 0.76 -0.28 0.00 -0.74 0.00 0.00 36.82 37.16 3gis h ILE 242 CO 0.03 0.03 0.62 -0.90 0.00 0.00 0.00 178.15 177.93 3gis n ASP 243 N -5.04 5.99 0.00 1.72 5.75 -0.89 -5.12 116.55 118.97 3gis n ASP 243 Ca -0.02 -3.26 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 3gis n ASP 243 Cb 0.07 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 38.87 3gis n ASP 243 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09