#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gka n GLY 2 N 0.00 -1.76 3.67 0.27 0.00 -1.26 -4.86 105.19 101.26 1gka n GLY 2 Ca 0.00 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1gka n GLY 2 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gka s ILE 3 N 0.00 4.80 0.90 -0.61 1.09 -1.26 -5.06 121.20 121.07 1gka s ILE 3 Ca 0.00 -0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.36 1gka s ILE 3 Cb 0.00 -3.13 -0.08 0.00 -1.06 0.00 0.00 42.46 38.19 1gka s ILE 3 CO 0.00 0.51 -0.21 -2.65 -0.10 0.00 0.00 174.94 172.48 1gka n PRO 4 N 3.10 -0.05 0.21 2.79 -0.02 -1.26 -4.84 135.00 134.93 1gka n PRO 4 Ca -0.17 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.43 1gka n PRO 4 Cb 0.53 -1.36 0.15 0.00 -0.02 0.00 0.00 33.50 32.80 1gka n PRO 4 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gka h SER 5 N -0.99 0.00 0.53 2.55 4.64 -1.98 -3.26 113.55 115.04 1gka h SER 5 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1gka h SER 5 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1gka h SER 5 CO 0.31 0.01 -0.07 2.22 -0.87 0.00 0.00 176.83 178.43 1gka n PHE 6 N -3.07 0.00 -2.24 4.77 1.16 -1.26 -4.83 117.46 111.98 1gka n PHE 6 Ca 0.04 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.23 1gka n PHE 6 Cb 0.54 -0.26 -0.02 0.00 -1.61 0.00 0.00 39.48 38.13 1gka n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1gka s VAL 7 N -2.59 3.03 0.24 1.97 1.01 -1.23 -4.52 120.40 118.30 1gka s VAL 7 Ca 0.27 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1gka s VAL 7 Cb 0.20 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1gka s VAL 7 CO 0.48 0.11 0.16 0.42 0.00 0.00 0.00 175.10 176.28 1gka s THR 8 N -1.35 0.05 0.46 3.92 -4.23 0.89 -4.93 115.64 110.45 1gka s THR 8 Ca 0.56 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.85 1gka s THR 8 Cb -0.33 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 70.93 1gka s THR 8 CO 0.42 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.60 1gka s ALA 9 N -3.93 2.95 0.00 3.99 0.00 -1.26 -0.08 121.76 123.43 1gka s ALA 9 Ca 0.39 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1gka s ALA 9 Cb 0.06 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1gka s ALA 9 CO 0.16 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1gka n GLY 10 N 0.25 1.47 3.91 0.00 0.00 -0.29 -4.62 105.19 105.91 1gka n GLY 10 Ca 0.08 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1gka n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gka s LYS 11 N -3.95 2.54 0.75 1.61 1.02 -1.26 -2.73 119.74 117.72 1gka s LYS 11 Ca 0.00 0.07 -0.15 0.00 0.02 0.00 0.00 55.97 55.91 1gka s LYS 11 Cb 0.00 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1gka s LYS 11 CO 0.00 -1.09 1.23 0.00 -0.92 0.00 0.00 175.35 174.57 1gka s ALA 13 N -1.84 2.83 -1.13 0.00 0.00 -1.26 -4.95 121.76 115.42 1gka s ALA 13 Ca 0.77 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 1gka s ALA 13 Cb -0.33 -3.35 0.27 0.00 0.00 0.00 0.00 23.12 19.71 1gka s ALA 13 CO 0.47 -0.65 1.15 0.45 0.00 0.00 0.00 175.76 177.18 1gka n SER 14 N -0.91 5.52 -4.81 0.00 2.88 -1.26 -5.04 113.62 110.01 1gka n SER 14 Ca 0.09 -3.04 -0.31 0.00 -1.33 0.00 0.00 58.87 54.29 1gka n SER 14 Cb 0.50 -1.39 0.07 0.00 -0.75 0.00 0.00 64.21 62.63 1gka n SER 14 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1gka s VAL 15 N -1.08 3.63 0.43 2.46 -7.23 -1.26 -5.02 120.40 112.33 1gka s VAL 15 Ca 0.32 0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 60.90 1gka s VAL 15 Cb -0.09 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.55 1gka s VAL 15 CO -0.07 -0.69 0.81 0.00 -0.31 0.00 0.00 175.10 174.84 1gka s ALA 16 N -3.05 3.29 -0.05 1.32 0.00 -1.26 -5.07 121.76 116.94 1gka s ALA 16 Ca 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 1gka s ALA 16 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1gka s ALA 16 CO 0.55 -0.07 0.06 -0.80 0.00 0.00 0.00 175.76 175.50 1gka s ASN 17 N -3.17 5.63 0.30 0.00 0.01 -1.26 -3.98 114.94 112.47 1gka s ASN 17 Ca 0.53 0.20 -0.28 0.00 -0.71 0.00 0.00 52.86 52.60 1gka s ASN 17 Cb -0.10 -1.64 -0.14 0.00 0.41 0.00 0.00 41.25 39.78 1gka s ASN 17 CO 0.32 0.33 1.00 1.67 -1.51 0.00 0.00 177.10 178.91 1gka n GLN 18 N 1.67 1.35 0.06 -0.60 0.00 0.15 -4.94 117.38 115.06 1gka n GLN 18 Ca -0.16 0.47 -0.03 0.00 -0.00 0.00 0.00 57.00 57.29 1gka n GLN 18 Cb 0.53 -1.86 -0.01 0.00 0.00 0.00 0.00 30.24 28.90 1gka n GLN 18 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1gka h ASP 19 N 1.93 -0.14 -3.47 1.69 3.32 -1.90 -3.38 116.42 114.46 1gka h ASP 19 Ca -0.40 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 55.96 1gka h ASP 19 Cb 1.34 0.04 -0.34 0.00 0.22 0.00 0.00 39.33 40.58 1gka h ASP 19 CO 0.60 -0.08 -0.54 0.20 -1.72 0.00 0.00 179.24 177.70 1gka s ASN 20 N -2.63 5.28 -0.07 6.45 0.01 -1.26 -4.95 114.94 117.78 1gka s ASN 20 Ca -0.02 -2.02 -0.30 0.00 -0.71 0.00 0.00 52.86 49.81 1gka s ASN 20 Cb 0.00 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.79 1gka s ASN 20 CO 0.07 -0.55 1.22 0.12 -1.51 0.00 0.00 177.10 176.45 1gka s PHE 21 N 1.15 3.12 -0.63 2.20 5.36 -1.26 -4.97 117.98 122.95 1gka s PHE 21 Ca 0.08 1.17 -0.06 0.00 -0.96 0.00 0.00 56.93 57.16 1gka s PHE 21 Cb -0.23 -3.44 0.16 0.00 -0.34 0.00 0.00 43.02 39.17 1gka s PHE 21 CO -0.04 -1.41 0.48 0.34 -1.46 0.00 0.00 175.22 173.13 1gka s ASP 22 N 1.57 5.62 0.29 6.13 -1.08 -1.26 -4.90 116.67 123.04 1gka s ASP 22 Ca 0.56 -2.65 0.02 0.00 -0.52 0.00 0.00 52.55 49.96 1gka s ASP 22 Cb -0.24 -1.95 0.71 0.00 -1.46 0.00 0.00 42.92 39.98 1gka s ASP 22 CO 0.21 -0.46 1.64 -0.07 0.52 0.00 0.00 175.17 177.00 1gka h LEU 23 N 7.44 -0.06 -1.51 -1.34 4.07 -1.97 0.23 115.31 122.16 1gka h LEU 23 Ca -0.02 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1gka h LEU 23 Cb 0.99 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 1gka h LEU 23 CO 0.74 -0.18 0.30 -0.09 -1.08 0.00 0.00 178.44 178.13 1gka h ARG 24 N 0.18 0.63 0.00 1.13 2.43 -1.97 0.22 114.38 117.00 1gka h ARG 24 Ca 0.55 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.63 1gka h ARG 24 Cb 1.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1gka h ARG 24 CO -0.68 0.43 -0.25 0.00 -1.51 0.00 0.00 179.97 177.95 1gka h ARG 25 N 0.64 0.00 0.00 0.20 3.08 -1.00 -3.21 114.38 114.10 1gka h ARG 25 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1gka h ARG 25 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1gka h ARG 25 CO -0.04 0.25 0.00 0.98 -1.07 0.00 0.00 179.97 180.10 1gka n TYR 26 N -3.20 0.00 -1.45 3.04 9.36 0.78 -4.89 117.16 120.80 1gka n TYR 26 Ca 0.02 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.95 1gka n TYR 26 Cb 0.59 -0.18 0.14 0.00 -0.63 0.00 0.00 39.34 39.25 1gka n TYR 26 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1gka s ALA 27 N -2.37 1.68 0.00 2.98 0.00 -1.13 -4.91 121.76 118.02 1gka s ALA 27 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1gka s ALA 27 Cb 0.19 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1gka s ALA 27 CO 0.39 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1gka n GLY 28 N -1.90 0.31 3.75 0.00 0.00 0.33 -4.90 105.19 102.78 1gka n GLY 28 Ca 0.06 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1gka n GLY 28 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gka s ARG 29 N 0.00 3.35 -0.01 1.61 3.52 -1.26 0.49 118.95 126.65 1gka s ARG 29 Ca 0.00 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1gka s ARG 29 Cb 0.00 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1gka s ARG 29 CO 0.00 0.65 -0.03 -1.58 -0.81 0.00 0.00 175.30 173.53 1gka s TRP 30 N -0.70 0.39 -0.02 5.12 0.52 -0.80 -4.78 118.94 118.67 1gka s TRP 30 Ca 0.12 -0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 1gka s TRP 30 Cb -0.12 -0.32 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 1gka s TRP 30 CO 0.03 -0.05 0.08 0.71 0.02 0.00 0.00 176.95 177.74 1gka s TYR 31 N 0.26 3.31 -0.22 -1.98 1.51 0.34 -1.50 117.35 119.07 1gka s TYR 31 Ca -0.02 0.23 -0.22 0.00 -1.01 0.00 0.00 57.07 56.05 1gka s TYR 31 Cb -0.06 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1gka s TYR 31 CO -0.00 0.56 0.68 -0.65 -1.11 0.00 0.00 175.55 175.03 1gka s GLN 32 N -1.64 4.18 -0.03 -0.62 -0.21 -0.99 -0.81 119.66 119.55 1gka s GLN 32 Ca 0.22 0.68 0.07 0.00 0.02 0.00 0.00 55.36 56.35 1gka s GLN 32 Cb -0.12 -3.61 -0.11 0.00 1.00 0.00 0.00 33.01 30.17 1gka s GLN 32 CO 0.13 -0.36 0.12 0.25 -2.12 0.00 0.00 175.29 173.31 1gka n THR 33 N 4.97 0.15 -3.74 -0.19 -2.24 -0.16 -4.67 114.28 108.41 1gka n THR 33 Ca 0.01 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1gka n THR 33 Cb 0.49 -0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 1gka n THR 33 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gka s HIS 34 N -2.42 -0.16 0.09 4.78 3.76 -1.19 -1.47 115.29 118.68 1gka s HIS 34 Ca -0.03 0.48 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1gka s HIS 34 Cb 0.04 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.58 1gka s HIS 34 CO 0.31 -0.17 -0.06 0.96 -0.85 0.00 0.00 174.74 174.92 1gka s ILE 35 N 1.27 0.65 -0.21 0.60 -4.36 -0.12 -0.95 121.20 118.09 1gka s ILE 35 Ca -0.08 -1.87 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 1gka s ILE 35 Cb -0.12 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 1gka s ILE 35 CO -0.06 -0.85 0.69 -0.63 0.24 0.00 0.00 174.94 174.33 1gka s ILE 36 N -3.50 4.96 -0.12 8.37 1.01 -0.83 -1.23 121.20 129.88 1gka s ILE 36 Ca 0.10 1.31 -0.37 0.00 0.00 0.00 0.00 60.65 61.69 1gka s ILE 36 Cb 0.04 -4.00 -0.15 0.00 0.01 0.00 0.00 42.46 38.36 1gka s ILE 36 CO -0.05 0.06 1.68 -1.84 0.00 0.00 0.00 174.94 174.79 1gka n GLU 37 N 5.30 1.49 -4.07 2.79 0.28 -1.26 -4.43 120.64 120.74 1gka n GLU 37 Ca 0.01 0.54 -0.33 0.00 -0.16 0.00 0.00 57.16 57.22 1gka n GLU 37 Cb 0.49 -2.26 -0.15 0.00 1.43 0.00 0.00 31.44 30.94 1gka n GLU 37 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1gka s ASN 38 N 2.77 3.69 0.50 -1.84 3.04 -1.26 -5.01 114.94 116.83 1gka s ASN 38 Ca 0.92 -0.84 0.15 0.00 0.04 0.00 0.00 52.86 53.13 1gka s ASN 38 Cb -0.92 -1.54 1.21 0.00 -1.54 0.00 0.00 41.25 38.46 1gka s ASN 38 CO 0.56 -0.07 2.14 0.00 -3.04 0.00 0.00 177.10 176.69 1gka h ALA 39 N 7.92 1.96 0.00 1.71 0.00 -2.01 -2.15 119.26 126.69 1gka h ALA 39 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1gka h ALA 39 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gka h ALA 39 CO 0.59 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1gka n TYR 40 N -4.53 0.00 -3.62 0.00 4.02 -1.26 -4.60 117.16 107.17 1gka n TYR 40 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.47 1gka n TYR 40 Cb 0.09 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.26 1gka n TYR 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1gka s GLN 41 N -2.11 2.45 0.16 -0.72 0.74 -0.81 -4.95 119.66 114.42 1gka s GLN 41 Ca 0.38 -1.63 -0.14 0.00 0.05 0.00 0.00 55.36 54.03 1gka s GLN 41 Cb 0.19 -3.78 0.05 0.00 1.10 0.00 0.00 33.01 30.56 1gka s GLN 41 CO 0.34 -1.05 1.73 -1.00 -0.55 0.00 0.00 175.29 174.76 1gka h PRO 42 N 8.35 0.75 -6.93 1.67 0.13 -1.85 -3.44 132.00 130.69 1gka h PRO 42 Ca -0.20 -0.12 -0.51 0.00 -0.87 0.00 0.00 66.00 64.30 1gka h PRO 42 Cb 1.07 -0.13 0.05 0.00 0.13 0.00 0.00 31.00 32.12 1gka h PRO 42 CO 0.78 0.64 0.51 0.14 -0.23 0.00 0.00 178.00 179.83 1gka s VAL 43 N -5.66 3.16 0.00 1.56 -7.23 -1.26 -4.44 120.40 106.53 1gka s VAL 43 Ca -0.13 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.04 1gka s VAL 43 Cb 0.12 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1gka s VAL 43 CO 0.77 0.11 0.05 0.35 -0.31 0.00 0.00 175.10 176.07 1gka n THR 44 N 0.21 0.00 -3.87 5.32 -2.24 0.25 -4.95 114.28 109.00 1gka n THR 44 Ca 0.04 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1gka n THR 44 Cb 0.46 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 1gka n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gka s ARG 45 N -0.29 0.48 -0.85 -0.78 1.70 -1.09 -4.33 118.95 113.79 1gka s ARG 45 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1gka s ARG 45 Cb 0.00 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1gka s ARG 45 CO 0.00 -0.11 0.00 0.00 -1.08 0.00 0.00 175.30 174.11 1gka n ILE 47 N -2.54 0.41 -4.02 0.00 5.41 -1.26 -4.48 119.36 112.89 1gka n ILE 47 Ca -0.08 -0.19 -0.08 0.00 1.00 0.00 0.00 62.75 63.39 1gka n ILE 47 Cb 0.38 -1.84 -0.09 0.00 -0.71 0.00 0.00 39.64 37.39 1gka n ILE 47 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 1gka s HIS 48 N 5.54 0.47 0.32 1.39 -3.43 -0.38 -2.33 115.29 116.87 1gka s HIS 48 Ca 0.99 -0.93 -0.16 0.00 -0.80 0.00 0.00 55.06 54.17 1gka s HIS 48 Cb -0.73 -0.27 0.03 0.00 -1.43 0.00 0.00 32.58 30.17 1gka s HIS 48 CO 0.50 -0.50 0.68 -1.54 -2.00 0.00 0.00 174.74 171.89 1gka s SER 49 N -2.94 -0.02 -0.07 7.38 1.04 -0.56 -0.92 113.70 117.60 1gka s SER 49 Ca 0.11 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1gka s SER 49 Cb 0.06 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.95 1gka s SER 49 CO -0.07 -1.43 -0.05 0.21 0.98 0.00 0.00 173.24 172.88 1gka s ASN 50 N -3.02 1.50 -0.45 7.02 2.47 -0.42 -1.91 114.94 120.14 1gka s ASN 50 Ca 0.16 -0.17 -0.12 0.00 0.42 0.00 0.00 52.86 53.15 1gka s ASN 50 Cb -0.04 -0.58 0.08 0.00 -1.45 0.00 0.00 41.25 39.26 1gka s ASN 50 CO 0.10 -0.10 0.32 -0.31 -3.72 0.00 0.00 177.10 173.40 1gka s TYR 51 N 1.36 3.31 -0.26 0.43 1.51 0.18 -1.20 117.35 122.68 1gka s TYR 51 Ca -0.03 -1.33 -0.23 0.00 -1.01 0.00 0.00 57.07 54.47 1gka s TYR 51 Cb -0.14 -3.11 -0.01 0.00 -0.11 0.00 0.00 41.96 38.60 1gka s TYR 51 CO -0.03 -0.85 0.76 -2.00 -1.11 0.00 0.00 175.55 172.32 1gka s GLU 52 N 1.50 4.11 -0.21 -0.62 2.12 -1.06 -0.51 118.70 124.03 1gka s GLU 52 Ca 0.04 0.75 -0.22 0.00 0.36 0.00 0.00 54.97 55.90 1gka s GLU 52 Cb -0.24 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 1gka s GLU 52 CO 0.04 -0.52 0.67 -0.47 -0.54 0.00 0.00 175.26 174.44 1gka s TYR 53 N 2.76 3.35 0.27 5.30 5.04 -1.26 -1.42 117.35 131.39 1gka s TYR 53 Ca 0.32 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.92 1gka s TYR 53 Cb -0.15 -2.86 -0.03 0.00 0.35 0.00 0.00 41.96 39.26 1gka s TYR 53 CO 0.09 -0.25 0.45 0.45 -1.34 0.00 0.00 175.55 174.95 1gka s SER 54 N 1.28 6.33 0.00 4.32 0.15 -0.82 -5.01 113.70 119.95 1gka s SER 54 Ca 0.30 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1gka s SER 54 Cb -0.16 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1gka s SER 54 CO 0.10 -0.16 0.38 1.07 1.20 0.00 0.00 173.24 175.83 1gka n THR 55 N -1.35 0.08 0.61 6.45 5.66 -1.26 -3.23 114.28 121.24 1gka n THR 55 Ca -0.06 -0.36 0.10 0.00 -3.05 0.00 0.00 64.05 60.68 1gka n THR 55 Cb 0.56 1.28 -0.13 0.00 -1.55 0.00 0.00 70.33 70.48 1gka n THR 55 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1gka n ASN 56 N -0.04 0.62 -0.10 1.09 3.02 -1.26 -3.82 115.26 114.77 1gka n ASN 56 Ca 0.00 -0.60 -0.12 0.00 -0.03 0.00 0.00 54.58 53.83 1gka n ASN 56 Cb 0.12 1.35 -0.13 0.00 -0.61 0.00 0.00 39.78 40.51 1gka n ASN 56 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gka n ASP 57 N -1.80 1.24 -3.24 6.41 8.00 -1.26 -5.03 116.55 120.87 1gka n ASP 57 Ca 0.01 -0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1gka n ASP 57 Cb 0.42 0.38 0.05 0.00 -0.02 0.00 0.00 41.12 41.96 1gka n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gka n TYR 58 N -2.89 -2.55 -3.76 1.24 9.36 -1.20 -4.98 117.16 112.38 1gka n TYR 58 Ca -0.35 0.90 -0.02 0.00 3.32 0.00 0.00 57.90 61.75 1gka n TYR 58 Cb 1.03 -4.07 0.02 0.00 -0.63 0.00 0.00 39.34 35.68 1gka n TYR 58 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gka n GLY 59 N -1.38 0.81 3.50 2.98 0.00 -1.23 -4.16 105.19 105.71 1gka n GLY 59 Ca -0.06 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1gka n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gka s PHE 60 N -3.19 2.47 -0.53 1.61 0.40 0.23 -1.95 117.98 117.01 1gka s PHE 60 Ca 0.17 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1gka s PHE 60 Cb -0.02 -1.21 0.14 0.00 0.51 0.00 0.00 43.02 42.43 1gka s PHE 60 CO 0.04 0.51 0.30 0.21 0.70 0.00 0.00 175.22 176.99 1gka s LYS 61 N -2.77 2.16 0.05 0.44 2.20 -0.51 -1.92 119.74 119.40 1gka s LYS 61 Ca 0.23 -2.41 -0.20 0.00 -0.36 0.00 0.00 55.97 53.23 1gka s LYS 61 Cb -0.08 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1gka s LYS 61 CO 0.13 -1.11 0.57 0.08 -0.36 0.00 0.00 175.35 174.66 1gka s VAL 62 N 0.09 4.79 -0.08 4.02 1.01 -0.60 -2.57 120.40 127.06 1gka s VAL 62 Ca 0.15 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.39 1gka s VAL 62 Cb -0.22 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1gka s VAL 62 CO -0.03 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 1gka s THR 63 N -0.85 1.75 0.13 3.92 2.01 -0.34 -2.18 115.64 120.07 1gka s THR 63 Ca 0.29 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.53 1gka s THR 63 Cb -0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1gka s THR 63 CO 0.18 0.49 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.51 1gka s THR 64 N 0.36 1.83 0.12 -0.82 2.01 -0.53 -1.30 115.64 117.32 1gka s THR 64 Ca -0.15 -1.70 -0.21 0.00 0.31 0.00 0.00 61.69 59.93 1gka s THR 64 Cb -0.16 -1.72 0.06 0.00 0.01 0.00 0.00 72.50 70.68 1gka s THR 64 CO 0.06 -0.13 0.53 0.00 -0.69 0.00 0.00 174.62 174.40 1gka s ALA 65 N -1.45 -1.37 0.00 7.40 0.00 -0.10 -0.16 121.76 126.08 1gka s ALA 65 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1gka s ALA 65 Cb -0.09 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1gka s ALA 65 CO 0.05 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1gka n GLY 66 N -0.15 -0.52 3.70 0.00 0.00 -0.96 -1.25 105.19 106.02 1gka n GLY 66 Ca -0.17 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1gka n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gka s PHE 67 N -3.15 2.91 1.11 1.61 2.99 -0.20 -1.05 117.98 122.19 1gka s PHE 67 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 56.93 56.65 1gka s PHE 67 Cb 0.00 -1.38 0.24 0.00 0.00 0.00 0.00 43.02 41.89 1gka s PHE 67 CO 0.00 0.53 1.09 -0.80 -0.00 0.00 0.00 175.22 176.04 1gka s ASN 68 N -3.19 1.69 0.25 1.36 0.01 0.19 0.87 114.94 116.11 1gka s ASN 68 Ca 0.29 0.97 0.24 0.00 -0.71 0.00 0.00 52.86 53.65 1gka s ASN 68 Cb -0.09 -1.48 0.33 0.00 0.41 0.00 0.00 41.25 40.43 1gka s ASN 68 CO 0.20 -3.69 1.41 1.55 -1.51 0.00 0.00 177.10 175.07 1gka h PRO 69 N -2.28 0.00 0.00 -0.60 0.13 -1.90 -3.41 132.00 123.94 1gka h PRO 69 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1gka h PRO 69 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1gka h PRO 69 CO 0.48 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.54 1gka n ASN 70 N -2.59 0.00 -0.72 1.44 5.15 -1.26 -5.05 115.26 112.23 1gka n ASN 70 Ca 0.03 -0.44 0.04 0.00 -0.60 0.00 0.00 54.58 53.61 1gka n ASN 70 Cb 0.49 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.94 1gka n ASN 70 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1gka n ASP 71 N -1.32 2.46 -4.83 1.20 8.00 -1.26 -5.01 116.55 115.79 1gka n ASP 71 Ca 0.00 -3.54 -0.32 0.00 0.71 0.00 0.00 54.79 51.65 1gka n ASP 71 Cb 0.00 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.57 1gka n ASP 71 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1gka s GLU 72 N -3.10 3.38 -0.41 -1.24 2.02 -1.26 -4.69 118.70 113.39 1gka s GLU 72 Ca 0.40 0.98 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 1gka s GLU 72 Cb 0.36 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.58 1gka s GLU 72 CO 0.00 -0.75 0.28 -0.47 0.02 0.00 0.00 175.26 174.34 1gka s TYR 73 N -2.83 3.26 0.19 1.61 5.04 -1.26 -0.64 117.35 122.72 1gka s TYR 73 Ca 0.59 -0.96 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 1gka s TYR 73 Cb -0.13 -2.71 -0.03 0.00 0.35 0.00 0.00 41.96 39.43 1gka s TYR 73 CO 0.45 -0.70 0.31 -0.51 -1.34 0.00 0.00 175.55 173.76 1gka s LEU 74 N 1.58 4.30 -0.11 6.97 1.02 -0.22 -4.92 118.68 127.30 1gka s LEU 74 Ca 0.03 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1gka s LEU 74 Cb -0.21 -2.86 0.04 0.00 0.02 0.00 0.00 46.19 43.18 1gka s LEU 74 CO 0.07 -0.00 0.00 -0.75 0.02 0.00 0.00 176.35 175.69 1gka s LYS 75 N -3.57 0.73 0.10 1.70 2.20 -1.26 -2.27 119.74 117.38 1gka s LYS 75 Ca 0.34 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.89 1gka s LYS 75 Cb -0.10 -1.37 -0.04 0.00 -1.51 0.00 0.00 37.83 34.81 1gka s LYS 75 CO 0.28 -0.40 0.15 0.42 -0.36 0.00 0.00 175.35 175.45 1gka s ILE 76 N 1.91 4.86 -0.51 5.43 1.09 0.77 -4.96 121.20 129.80 1gka s ILE 76 Ca 0.03 -0.73 0.06 0.00 -1.10 0.00 0.00 60.65 58.91 1gka s ILE 76 Cb -0.14 -3.40 0.21 0.00 -1.06 0.00 0.00 42.46 38.07 1gka s ILE 76 CO -0.06 0.05 0.51 0.47 -0.10 0.00 0.00 174.94 175.80 1gka n ASP 77 N 0.10 1.23 -3.63 3.58 10.43 -1.26 -1.45 116.55 125.54 1gka n ASP 77 Ca -0.07 -2.85 -0.12 0.00 2.57 0.00 0.00 54.79 54.32 1gka n ASP 77 Cb 0.52 -0.64 0.03 0.00 1.84 0.00 0.00 41.12 42.87 1gka n ASP 77 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 1gka n PHE 78 N 1.81 -2.26 -4.68 1.24 1.16 -0.93 -4.81 117.46 108.99 1gka n PHE 78 Ca 0.25 -1.21 -0.30 0.00 -1.87 0.00 0.00 57.45 54.32 1gka n PHE 78 Cb 0.46 -0.30 -0.14 0.00 -1.61 0.00 0.00 39.48 37.89 1gka n PHE 78 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1gka s LYS 79 N -3.43 1.68 -0.04 3.97 1.02 -1.19 -1.56 119.74 120.19 1gka s LYS 79 Ca 0.31 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 1gka s LYS 79 Cb -0.02 -1.97 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1gka s LYS 79 CO 0.19 0.49 0.09 0.08 -0.92 0.00 0.00 175.35 175.29 1gka s VAL 80 N -0.92 -0.05 0.04 3.17 1.01 -0.81 -0.87 120.40 121.97 1gka s VAL 80 Ca 0.13 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1gka s VAL 80 Cb -0.10 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.15 1gka s VAL 80 CO 0.04 0.08 0.42 -0.72 0.00 0.00 0.00 175.10 174.91 1gka s TYR 81 N 1.09 -0.27 0.96 5.22 -0.85 -0.75 -0.60 117.35 122.15 1gka s TYR 81 Ca -0.09 0.24 -0.13 0.00 -0.52 0.00 0.00 57.07 56.57 1gka s TYR 81 Cb -0.12 0.22 0.17 0.00 0.38 0.00 0.00 41.96 42.61 1gka s TYR 81 CO -0.04 -0.57 1.13 -1.25 -1.52 0.00 0.00 175.55 173.29 1gka s PRO 82 N -2.45 0.72 0.05 -3.49 0.04 -1.26 -1.22 135.00 127.39 1gka s PRO 82 Ca -0.05 0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.25 1gka s PRO 82 Cb -0.01 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1gka s PRO 82 CO -0.02 -2.48 0.01 0.99 0.04 0.00 0.00 177.00 175.54 1gka s THR 83 N -3.20 0.20 0.28 1.26 2.01 -1.26 -4.82 115.64 110.11 1gka s THR 83 Ca 0.65 -1.61 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1gka s THR 83 Cb -0.15 -1.38 0.27 0.00 0.01 0.00 0.00 72.50 71.25 1gka s THR 83 CO 0.55 -0.89 1.77 0.50 -0.69 0.00 0.00 174.62 175.85 1gka h LYS 84 N 3.20 0.65 0.00 4.92 3.64 -1.97 -3.17 116.57 123.85 1gka h LYS 84 Ca -0.34 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1gka h LYS 84 Cb 1.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1gka h LYS 84 CO 0.62 0.43 -0.37 0.93 -2.27 0.00 0.00 179.45 178.80 1gka h GLU 85 N 0.67 0.00 -4.50 1.90 3.07 -1.98 -3.46 114.58 110.28 1gka h GLU 85 Ca 0.51 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.18 1gka h GLU 85 Cb 0.76 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.52 1gka h GLU 85 CO -0.38 0.37 -0.67 -0.06 -1.40 0.00 0.00 179.01 176.87 1gka s PHE 86 N -4.18 0.85 0.49 4.33 0.40 -1.20 -5.15 117.98 113.53 1gka s PHE 86 Ca -0.03 -1.08 -0.21 0.00 -0.60 0.00 0.00 56.93 55.01 1gka s PHE 86 Cb 0.14 -0.51 -0.10 0.00 0.51 0.00 0.00 43.02 43.06 1gka s PHE 86 CO 0.72 -0.34 0.63 -0.35 0.70 0.00 0.00 175.22 176.58 1gka n PRO 87 N -0.06 0.69 0.30 0.24 -0.04 -1.26 -4.40 135.00 130.46 1gka n PRO 87 Ca -0.09 0.26 0.18 0.00 -0.04 0.00 0.00 63.50 63.80 1gka n PRO 87 Cb 0.62 -1.70 0.93 0.00 -0.04 0.00 0.00 33.50 33.31 1gka n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gka h ALA 88 N 0.68 1.39 0.00 0.55 0.00 -1.91 0.14 119.26 120.12 1gka h ALA 88 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gka h ALA 88 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1gka h ALA 88 CO 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1gka n ALA 89 N -2.06 2.30 -3.67 0.00 0.00 -1.26 -3.86 120.51 111.96 1gka n ALA 89 Ca -0.01 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1gka n ALA 89 Cb 0.30 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 1gka n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1gka s HIS 90 N -2.14 3.45 0.65 0.00 5.04 0.04 0.35 115.29 122.67 1gka s HIS 90 Ca 0.31 -2.63 0.05 0.00 -1.54 0.00 0.00 55.06 51.26 1gka s HIS 90 Cb 0.16 -3.27 0.12 0.00 0.04 0.00 0.00 32.58 29.62 1gka s HIS 90 CO 0.28 -0.86 0.89 -1.33 -2.34 0.00 0.00 174.74 171.38 1gka n MET 91 N 3.54 0.29 -4.71 2.88 2.81 0.54 -4.40 117.12 118.08 1gka n MET 91 Ca 0.08 -2.95 -0.26 0.00 -1.81 0.00 0.00 57.70 52.77 1gka n MET 91 Cb 0.39 -0.42 -0.14 0.00 -0.71 0.00 0.00 33.22 32.33 1gka n MET 91 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1gka s LEU 92 N 0.00 2.14 -0.30 4.03 0.20 -0.36 -0.98 118.68 123.40 1gka s LEU 92 Ca 0.63 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.87 1gka s LEU 92 Cb -0.04 -0.98 -0.02 0.00 -0.43 0.00 0.00 46.19 44.72 1gka s LEU 92 CO 0.41 0.18 0.16 -0.63 -0.29 0.00 0.00 176.35 176.18 1gka s ILE 93 N -0.73 4.81 -0.90 6.68 1.01 0.59 -1.81 121.20 130.85 1gka s ILE 93 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1gka s ILE 93 Cb -0.09 -3.40 0.29 0.00 0.01 0.00 0.00 42.46 39.27 1gka s ILE 93 CO 0.01 0.12 1.19 -0.67 0.00 0.00 0.00 174.94 175.59 1gka n ASP 94 N 5.01 5.37 -4.88 3.58 4.64 -0.05 -3.23 116.55 126.98 1gka n ASP 94 Ca -0.14 -3.44 -0.34 0.00 -1.38 0.00 0.00 54.79 49.49 1gka n ASP 94 Cb 0.50 -1.02 -0.05 0.00 -1.04 0.00 0.00 41.12 39.51 1gka n ASP 94 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1gka s ALA 95 N -2.70 3.81 0.00 -1.67 0.00 -1.26 -3.15 121.76 116.78 1gka s ALA 95 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1gka s ALA 95 Cb 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1gka s ALA 95 CO 0.06 0.63 0.62 -0.35 0.00 0.00 0.00 175.76 176.73 1gka n PRO 96 N 0.90 0.00 0.08 0.00 -0.04 -1.26 -3.57 135.00 131.12 1gka n PRO 96 Ca -0.09 0.62 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 1gka n PRO 96 Cb 0.52 -0.99 -0.05 0.00 -0.04 0.00 0.00 33.50 32.94 1gka n PRO 96 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gka h SER 97 N 0.00 -0.25 -1.10 3.54 0.87 -2.00 -3.48 113.55 111.14 1gka h SER 97 Ca 0.00 -0.20 -0.67 0.00 -1.23 0.00 0.00 61.79 59.70 1gka h SER 97 Cb 0.00 0.06 0.11 0.00 -0.44 0.00 0.00 62.40 62.13 1gka h SER 97 CO 0.00 0.27 -0.48 0.52 -0.53 0.00 0.00 176.83 176.61 1gka n VAL 98 N -4.97 1.99 -1.63 2.23 0.31 -1.23 -4.98 118.33 110.04 1gka n VAL 98 Ca -0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.35 1gka n VAL 98 Cb 0.22 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1gka n VAL 98 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gka n PHE 99 N 0.03 1.45 -1.69 3.52 3.01 -1.26 -4.56 117.46 117.95 1gka n PHE 99 Ca 0.17 0.57 -0.44 0.00 1.01 0.00 0.00 57.45 58.77 1gka n PHE 99 Cb 0.25 -2.27 -0.03 0.00 -0.01 0.00 0.00 39.48 37.42 1gka n PHE 99 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gka n ALA 100 N -0.23 1.74 -2.27 4.37 0.00 -1.26 -4.85 120.51 118.01 1gka n ALA 100 Ca 0.08 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 1gka n ALA 100 Cb 0.38 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.35 1gka n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gka s ALA 101 N 0.32 0.93 0.42 0.00 0.00 -1.20 -4.95 121.76 117.29 1gka s ALA 101 Ca 0.70 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1gka s ALA 101 Cb -0.60 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1gka s ALA 101 CO 0.45 -0.20 0.72 -1.25 0.00 0.00 0.00 175.76 175.48 1gka s PRO 102 N -3.50 3.60 -0.44 0.00 0.04 -1.26 -0.30 135.00 133.14 1gka s PRO 102 Ca 0.09 0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.31 1gka s PRO 102 Cb 0.03 -2.45 0.13 0.00 0.04 0.00 0.00 34.50 32.25 1gka s PRO 102 CO -0.04 -0.06 0.23 -0.47 0.04 0.00 0.00 177.00 176.70 1gka s TYR 103 N -2.52 2.14 -0.28 0.56 5.04 -0.16 -4.43 117.35 117.70 1gka s TYR 103 Ca 0.47 -2.49 -0.20 0.00 -2.44 0.00 0.00 57.07 52.41 1gka s TYR 103 Cb -0.10 -2.01 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 1gka s TYR 103 CO 0.39 -0.79 0.61 -1.21 -1.34 0.00 0.00 175.55 173.21 1gka s GLU 104 N 0.35 4.00 -0.59 4.97 2.02 0.20 -0.34 118.70 129.32 1gka s GLU 104 Ca 0.17 0.39 -0.21 0.00 0.02 0.00 0.00 54.97 55.34 1gka s GLU 104 Cb -0.24 -3.69 0.08 0.00 0.10 0.00 0.00 34.13 30.38 1gka s GLU 104 CO -0.01 -0.48 0.79 0.08 0.02 0.00 0.00 175.26 175.67 1gka s VAL 105 N 2.52 4.63 0.04 2.63 1.01 0.15 -1.00 120.40 130.39 1gka s VAL 105 Ca 0.25 -0.59 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 1gka s VAL 105 Cb -0.15 -4.52 -0.18 0.00 0.00 0.00 0.00 36.38 31.52 1gka s VAL 105 CO 0.10 -1.18 1.37 0.40 0.00 0.00 0.00 175.10 175.79 1gka h ILE 106 N 5.94 0.05 -2.96 2.22 2.04 -1.16 0.41 117.51 124.05 1gka h ILE 106 Ca -0.29 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.29 1gka h ILE 106 Cb 1.08 0.06 -0.23 0.00 -0.74 0.00 0.00 36.82 36.99 1gka h ILE 106 CO 1.10 0.00 -0.31 -0.70 0.00 0.00 0.00 178.15 178.24 1gka s GLU 107 N -5.40 0.46 0.02 2.37 2.12 -1.25 -1.76 118.70 115.27 1gka s GLU 107 Ca -0.17 0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.31 1gka s GLU 107 Cb 0.02 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.64 1gka s GLU 107 CO 0.53 -0.08 0.28 -0.08 -0.54 0.00 0.00 175.26 175.36 1gka s THR 108 N -0.25 0.08 -1.58 -1.70 -1.32 -1.26 -1.45 115.64 108.16 1gka s THR 108 Ca -0.04 -0.64 0.13 0.00 -1.21 0.00 0.00 61.69 59.94 1gka s THR 108 Cb -0.03 -0.78 0.08 0.00 -1.51 0.00 0.00 72.50 70.27 1gka s THR 108 CO 0.01 -0.35 0.89 -0.90 -2.21 0.00 0.00 174.62 172.06 1gka n ASP 109 N 0.92 1.97 0.00 8.08 5.75 -1.13 -4.97 116.55 127.17 1gka n ASP 109 Ca -0.20 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1gka n ASP 109 Cb 0.58 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 1gka n ASP 109 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1gka n TYR 110 N 0.56 0.00 0.12 2.11 4.02 -1.26 -4.39 117.16 118.32 1gka n TYR 110 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.01 1gka n TYR 110 Cb 0.32 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.66 1gka n TYR 110 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1gka h GLU 111 N 0.00 0.00 0.00 -0.72 4.39 -1.93 -3.45 114.58 112.87 1gka h GLU 111 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gka h GLU 111 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1gka h GLU 111 CO 0.00 0.29 -0.36 2.41 -1.16 0.00 0.00 179.01 180.20 1gka n THR 112 N -3.04 0.52 -4.23 1.13 -1.04 -1.26 -4.72 114.28 101.64 1gka n THR 112 Ca -0.01 0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 62.04 1gka n THR 112 Cb 0.71 -1.31 -0.10 0.00 -1.82 0.00 0.00 70.33 67.81 1gka n THR 112 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1gka s TYR 113 N -2.00 1.15 -0.05 -1.42 -0.85 -1.26 -1.19 117.35 111.73 1gka s TYR 113 Ca 0.00 -0.86 -0.02 0.00 -0.52 0.00 0.00 57.07 55.67 1gka s TYR 113 Cb 0.00 -0.63 0.03 0.00 0.38 0.00 0.00 41.96 41.75 1gka s TYR 113 CO 0.00 -0.05 0.10 0.45 -1.52 0.00 0.00 175.55 174.53 1gka s SER 114 N -3.14 -0.03 -0.34 -0.18 0.15 -0.06 -2.82 113.70 107.28 1gka s SER 114 Ca 0.17 0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 1gka s SER 114 Cb 0.04 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1gka s SER 114 CO -0.00 -0.14 0.13 0.00 1.20 0.00 0.00 173.24 174.43 1gka s VAL 116 N 1.46 3.77 0.07 0.00 1.01 -0.78 -0.92 120.40 125.00 1gka s VAL 116 Ca -0.00 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1gka s VAL 116 Cb -0.19 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1gka s VAL 116 CO 0.04 0.53 -0.20 -0.47 0.00 0.00 0.00 175.10 175.00 1gka s TYR 117 N -0.06 2.50 -0.26 5.22 5.04 -0.17 0.12 117.35 129.73 1gka s TYR 117 Ca 0.01 -0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.32 1gka s TYR 117 Cb -0.13 -1.41 0.15 0.00 0.35 0.00 0.00 41.96 40.92 1gka s TYR 117 CO 0.03 0.27 0.49 0.45 -1.34 0.00 0.00 175.55 175.45 1gka s SER 118 N -1.64 -0.53 -0.25 4.32 0.15 0.22 -0.63 113.70 115.34 1gka s SER 118 Ca 0.15 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 1gka s SER 118 Cb -0.10 1.63 0.07 0.00 -1.71 0.00 0.00 66.02 65.91 1gka s SER 118 CO 0.06 -0.27 0.62 0.00 1.20 0.00 0.00 173.24 174.85 1gka s ILE 120 N 1.56 4.31 0.32 0.00 1.01 -0.95 -4.90 121.20 122.56 1gka s ILE 120 Ca -0.10 -0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 1gka s ILE 120 Cb -0.06 -2.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 1gka s ILE 120 CO -0.18 0.38 1.05 -0.89 0.00 0.00 0.00 174.94 175.30 1gka s THR 121 N 1.25 3.69 -0.00 2.92 2.01 -1.26 -2.58 115.64 121.66 1gka s THR 121 Ca 0.04 1.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.56 1gka s THR 121 Cb -0.15 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1gka s THR 121 CO 0.03 0.23 -0.00 0.41 -0.69 0.00 0.00 174.62 174.59 1gka n THR 122 N 0.70 0.02 0.00 -0.82 -1.04 0.08 -4.97 114.28 108.25 1gka n THR 122 Ca 0.01 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1gka n THR 122 Cb 0.47 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1gka n THR 122 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1gka n ASP 123 N -2.52 0.02 -0.71 8.00 8.00 -1.26 -4.82 116.55 123.27 1gka n ASP 123 Ca -0.00 0.01 0.05 0.00 0.71 0.00 0.00 54.79 55.56 1gka n ASP 123 Cb 0.00 -0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1gka n ASP 123 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gka n ASN 124 N -2.53 1.36 -4.07 -2.24 3.02 -1.26 -4.88 115.26 104.65 1gka n ASN 124 Ca 0.00 -2.88 -0.17 0.00 -0.03 0.00 0.00 54.58 51.50 1gka n ASN 124 Cb 0.00 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.69 1gka n ASN 124 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1gka s TYR 125 N -1.72 1.49 0.16 3.10 2.02 -1.25 -1.14 117.35 120.01 1gka s TYR 125 Ca 0.29 -1.35 -0.11 0.00 -0.37 0.00 0.00 57.07 55.53 1gka s TYR 125 Cb 0.29 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1gka s TYR 125 CO -0.06 -0.53 0.33 -1.59 -1.57 0.00 0.00 175.55 172.13 1gka s LYS 126 N -3.92 1.17 -0.35 -0.62 -2.85 0.89 -0.74 119.74 113.31 1gka s LYS 126 Ca 0.37 -1.07 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 1gka s LYS 126 Cb 0.06 0.41 0.10 0.00 -2.06 0.00 0.00 37.83 36.34 1gka s LYS 126 CO 0.16 -0.44 0.08 -1.12 0.10 0.00 0.00 175.35 174.12 1gka s SER 127 N -2.93 4.60 -0.17 0.03 0.01 -1.07 -0.07 113.70 114.10 1gka s SER 127 Ca 0.14 -2.14 -0.02 0.00 1.31 0.00 0.00 55.95 55.24 1gka s SER 127 Cb 0.02 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.75 1gka s SER 127 CO -0.02 -0.37 -0.10 -0.70 0.41 0.00 0.00 173.24 172.45 1gka s GLU 128 N 0.92 3.35 0.09 12.44 2.12 -1.26 -2.24 118.70 134.13 1gka s GLU 128 Ca 0.11 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 54.84 1gka s GLU 128 Cb -0.19 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1gka s GLU 128 CO -0.10 0.01 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.39 1gka s PHE 129 N 0.88 1.58 0.14 5.30 0.40 0.12 -4.99 117.98 121.42 1gka s PHE 129 Ca -0.03 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.78 1gka s PHE 129 Cb -0.15 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1gka s PHE 129 CO 0.00 0.15 0.26 0.00 0.70 0.00 0.00 175.22 176.34 1gka s ALA 130 N -1.22 -0.07 0.06 5.36 0.00 -1.26 -0.61 121.76 124.02 1gka s ALA 130 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1gka s ALA 130 Cb -0.10 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1gka s ALA 130 CO 0.04 -0.61 -0.06 -0.06 0.00 0.00 0.00 175.76 175.06 1gka s PHE 131 N -3.94 0.70 -0.38 0.00 0.08 0.12 -1.96 117.98 112.60 1gka s PHE 131 Ca 0.14 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.50 1gka s PHE 131 Cb 0.04 -0.42 0.11 0.00 -0.57 0.00 0.00 43.02 42.17 1gka s PHE 131 CO -0.03 -0.15 0.12 0.08 -0.10 0.00 0.00 175.22 175.14 1gka s VAL 132 N -2.49 1.94 -0.06 -0.44 1.01 -0.13 -1.87 120.40 118.37 1gka s VAL 132 Ca -0.01 -2.35 -0.17 0.00 0.00 0.00 0.00 61.98 59.46 1gka s VAL 132 Cb -0.02 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1gka s VAL 132 CO -0.03 -0.69 0.45 -0.36 0.00 0.00 0.00 175.10 174.48 1gka s PHE 133 N 0.77 3.62 0.13 5.22 0.08 -0.66 -0.98 117.98 126.17 1gka s PHE 133 Ca 0.13 0.96 0.05 0.00 0.12 0.00 0.00 56.93 58.19 1gka s PHE 133 Cb -0.21 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 1gka s PHE 133 CO -0.09 0.39 -0.12 0.45 -0.10 0.00 0.00 175.22 175.75 1gka s SER 134 N -0.19 1.88 0.00 1.36 0.15 0.01 -0.88 113.70 116.03 1gka s SER 134 Ca 0.25 -0.90 0.28 0.00 0.70 0.00 0.00 55.95 56.28 1gka s SER 134 Cb -0.16 -0.04 1.04 0.00 -1.71 0.00 0.00 66.02 65.15 1gka s SER 134 CO 0.12 -0.23 1.75 0.54 1.20 0.00 0.00 173.24 176.62 1gka n ARG 135 N 0.19 0.61 -4.58 5.44 5.12 -0.33 -0.50 116.66 122.62 1gka n ARG 135 Ca -0.13 -0.26 -0.30 0.00 -1.93 0.00 0.00 57.85 55.23 1gka n ARG 135 Cb 0.59 -1.49 -0.13 0.00 -1.16 0.00 0.00 32.46 30.27 1gka n ARG 135 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1gka s THR 136 N -2.57 2.70 -0.39 0.55 -4.23 -1.26 -4.84 115.64 105.60 1gka s THR 136 Ca 0.25 -1.33 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1gka s THR 136 Cb 0.20 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 72.02 1gka s THR 136 CO 0.51 0.26 2.41 -0.81 -0.54 0.00 0.00 174.62 176.45 1gka n PRO 137 N 1.34 2.13 -3.62 3.99 -0.04 -1.26 -4.75 135.00 132.78 1gka n PRO 137 Ca -0.16 -2.00 -0.39 0.00 -0.04 0.00 0.00 63.50 60.91 1gka n PRO 137 Cb 0.52 -1.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 1gka n PRO 137 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gka s GLN 138 N -1.80 3.28 0.00 0.54 2.00 -1.26 -4.86 119.66 117.56 1gka s GLN 138 Ca 0.46 -0.77 0.28 0.00 -2.00 0.00 0.00 55.36 53.34 1gka s GLN 138 Cb 0.32 -3.65 1.22 0.00 0.80 0.00 0.00 33.01 31.70 1gka s GLN 138 CO -0.11 -0.47 1.91 -2.37 -0.50 0.00 0.00 175.29 173.74 1gka n THR 139 N 5.01 0.06 0.36 -0.34 5.66 -1.26 -3.06 114.28 120.71 1gka n THR 139 Ca -0.13 0.02 0.04 0.00 -3.05 0.00 0.00 64.05 60.92 1gka n THR 139 Cb 0.49 -0.53 0.01 0.00 -1.55 0.00 0.00 70.33 68.75 1gka n THR 139 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1gka n SER 140 N -1.49 1.28 -2.87 1.09 2.88 -1.26 -4.87 113.62 108.39 1gka n SER 140 Ca 0.07 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 1gka n SER 140 Cb 0.32 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1gka n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gka n GLY 141 N 0.70 -1.28 0.05 0.46 0.00 -1.17 -4.83 105.19 99.12 1gka n GLY 141 Ca 0.04 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1gka n GLY 141 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gka n PRO 142 N -0.39 0.12 0.48 1.61 -0.04 -1.26 -3.97 135.00 131.55 1gka n PRO 142 Ca 0.00 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 1gka n PRO 142 Cb 0.00 -1.64 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 1gka n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gka h ALA 143 N 2.78 -1.26 -0.69 0.55 0.00 -1.89 -2.74 119.26 116.01 1gka h ALA 143 Ca 0.00 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1gka h ALA 143 Cb 0.61 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1gka h ALA 143 CO 0.00 -1.17 -0.02 0.28 0.00 0.00 0.00 179.25 178.35 1gka h VAL 144 N -1.31 0.40 -0.04 0.00 2.07 -1.90 0.24 116.25 115.71 1gka h VAL 144 Ca -0.13 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1gka h VAL 144 Cb 0.95 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1gka h VAL 144 CO 0.21 0.02 -0.22 -0.08 0.02 0.00 0.00 177.57 177.52 1gka h GLU 145 N 0.10 -0.31 0.58 1.57 4.57 -1.68 -0.41 114.58 118.99 1gka h GLU 145 Ca 0.37 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1gka h GLU 145 Cb 0.62 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1gka h GLU 145 CO -0.61 -0.21 -0.28 -0.22 -1.18 0.00 0.00 179.01 176.51 1gka h LYS 146 N -0.32 -0.75 -0.40 1.92 1.63 -1.07 -3.19 116.57 114.40 1gka h LYS 146 Ca 0.07 0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 1gka h LYS 146 Cb 0.42 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1gka h LYS 146 CO -0.23 -0.49 -0.32 1.15 -3.45 0.00 0.00 179.45 176.11 1gka h THR 147 N -0.79 1.27 0.00 1.00 2.02 -0.47 -2.59 112.91 113.36 1gka h THR 147 Ca -0.08 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1gka h THR 147 Cb 0.60 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1gka h THR 147 CO 0.13 0.50 -0.05 0.00 0.37 0.00 0.00 175.52 176.47 1gka h ALA 148 N 0.88 1.79 0.66 6.16 0.00 -1.14 0.75 119.26 128.35 1gka h ALA 148 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gka h ALA 148 Cb 0.89 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1gka h ALA 148 CO 0.08 0.06 -0.31 0.00 0.00 0.00 0.00 179.25 179.08 1gka h ALA 149 N 1.95 -0.88 -0.51 0.00 0.00 -1.45 -2.46 119.26 115.91 1gka h ALA 149 Ca -0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1gka h ALA 149 Cb 0.10 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1gka h ALA 149 CO 0.01 -0.85 -0.10 0.28 0.00 0.00 0.00 179.25 178.59 1gka h VAL 150 N -1.17 0.51 -0.37 0.00 2.07 -0.90 -1.17 116.25 115.23 1gka h VAL 150 Ca -0.09 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1gka h VAL 150 Cb 0.70 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1gka h VAL 150 CO 0.15 0.00 0.20 -0.26 0.02 0.00 0.00 177.57 177.68 1gka h PHE 151 N 0.02 0.37 0.07 1.57 0.05 -0.96 -1.92 116.94 116.14 1gka h PHE 151 Ca 0.25 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.06 1gka h PHE 151 Cb 0.38 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1gka h PHE 151 CO -0.40 0.21 -0.06 -0.91 -0.18 0.00 0.00 178.31 176.96 1gka h ASN 152 N 0.41 -0.16 0.00 2.17 2.35 -0.87 0.68 115.58 120.15 1gka h ASN 152 Ca 0.15 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1gka h ASN 152 Cb 0.04 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1gka h ASN 152 CO -0.09 -0.10 0.04 0.29 -1.65 0.00 0.00 177.43 175.92 1gka n LYS 153 N -5.17 0.13 0.00 0.81 5.02 -0.51 -1.31 118.16 117.12 1gka n LYS 153 Ca -0.07 0.62 0.08 0.00 -2.02 0.00 0.00 58.31 56.92 1gka n LYS 153 Cb 0.10 -1.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 1gka n LYS 153 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gka n ASN 154 N -2.20 1.04 0.00 4.39 3.02 -0.54 -4.99 115.26 115.98 1gka n ASN 154 Ca -0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1gka n ASN 154 Cb 0.07 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 1gka n ASN 154 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gka n GLY 155 N 1.35 1.32 3.05 7.41 0.00 -0.43 -4.41 105.19 113.49 1gka n GLY 155 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1gka n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gka s VAL 156 N -2.00 2.39 0.13 1.61 1.01 0.12 -4.84 120.40 118.82 1gka s VAL 156 Ca 0.00 -2.06 -0.35 0.00 0.00 0.00 0.00 61.98 59.57 1gka s VAL 156 Cb 0.00 -2.63 -0.15 0.00 0.00 0.00 0.00 36.38 33.60 1gka s VAL 156 CO 0.00 -0.41 1.50 -0.62 0.00 0.00 0.00 175.10 175.57 1gka n GLU 157 N 4.36 1.79 0.20 2.72 4.71 -1.26 -3.59 120.64 129.57 1gka n GLU 157 Ca -0.03 0.65 0.14 0.00 -0.01 0.00 0.00 57.16 57.91 1gka n GLU 157 Cb 0.42 -2.37 0.62 0.00 -1.01 0.00 0.00 31.44 29.10 1gka n GLU 157 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1gka h PHE 158 N 5.51 0.00 0.00 -0.32 3.57 -1.90 -2.20 116.94 121.60 1gka h PHE 158 Ca -0.46 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1gka h PHE 158 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1gka h PHE 158 CO 0.62 0.00 -0.16 0.66 -2.23 0.00 0.00 178.31 177.20 1gka h SER 159 N 0.00 0.00 0.12 0.41 4.64 -1.98 -1.55 113.55 115.18 1gka h SER 159 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gka h SER 159 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1gka h SER 159 CO 0.00 0.16 -0.00 0.11 -0.87 0.00 0.00 176.83 176.22 1gka h LYS 160 N 0.00 0.00 -6.53 4.77 1.57 -1.76 -3.44 116.57 111.18 1gka h LYS 160 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1gka h LYS 160 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1gka h LYS 160 CO 0.02 0.00 -0.08 -0.06 -0.57 0.00 0.00 179.45 178.76 1gka s PHE 161 N -4.14 3.45 0.23 -1.35 0.08 -0.58 -4.65 117.98 111.02 1gka s PHE 161 Ca -0.04 0.80 0.10 0.00 0.12 0.00 0.00 56.93 57.91 1gka s PHE 161 Cb 0.13 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1gka s PHE 161 CO 0.44 0.16 -0.19 0.14 -0.10 0.00 0.00 175.22 175.67 1gka s VAL 162 N -2.03 2.14 0.25 -0.44 -7.23 -0.36 -4.94 120.40 107.78 1gka s VAL 162 Ca 0.47 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.25 1gka s VAL 162 Cb -0.11 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 1gka s VAL 162 CO 0.27 -0.41 0.67 -2.16 -0.31 0.00 0.00 175.10 173.16 1gka s PRO 163 N -3.34 4.04 -0.19 4.82 0.04 -1.26 -0.94 135.00 138.18 1gka s PRO 163 Ca 0.24 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.79 1gka s PRO 163 Cb -0.04 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1gka s PRO 163 CO 0.11 0.30 0.26 0.08 0.04 0.00 0.00 177.00 177.79 1gka s VAL 164 N -1.74 5.32 -0.01 -0.36 1.01 -0.54 -4.89 120.40 119.19 1gka s VAL 164 Ca 0.47 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1gka s VAL 164 Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1gka s VAL 164 CO 0.19 0.37 1.12 -0.55 0.00 0.00 0.00 175.10 176.24 1gka s SER 165 N 0.62 7.16 -0.28 3.32 0.15 -1.26 -4.82 113.70 118.58 1gka s SER 165 Ca 0.14 1.81 0.02 0.00 0.70 0.00 0.00 55.95 58.62 1gka s SER 165 Cb -0.13 -2.57 0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1gka s SER 165 CO 0.03 -0.45 0.00 -1.00 1.20 0.00 0.00 173.24 173.02 1gka s HIS 166 N 1.52 2.81 0.00 3.44 3.76 -1.26 -1.23 115.29 124.33 1gka s HIS 166 Ca 0.55 -2.22 0.00 0.00 -0.15 0.00 0.00 55.06 53.24 1gka s HIS 166 Cb -0.25 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1gka s HIS 166 CO 0.25 -0.86 0.00 0.25 -0.85 0.00 0.00 174.74 173.53 1gka n THR 167 N 4.54 0.00 -0.13 1.30 -2.24 -1.26 -4.87 114.28 111.62 1gka n THR 167 Ca -0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1gka n THR 167 Cb 0.43 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.86 1gka n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gka h ALA 168 N 1.00 1.24 0.00 6.98 0.00 -2.03 -2.98 119.26 123.48 1gka h ALA 168 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1gka h ALA 168 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1gka h ALA 168 CO 0.00 0.53 -0.05 1.49 0.00 0.00 0.00 179.25 181.23 1gka h GLU 169 N 0.80 0.00 -6.68 0.00 4.57 -1.99 -3.46 114.58 107.82 1gka h GLU 169 Ca 0.18 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.78 1gka h GLU 169 Cb 0.26 0.00 0.13 0.00 -0.16 0.00 0.00 28.75 28.98 1gka h GLU 169 CO -0.01 0.05 0.18 0.00 -1.18 0.00 0.00 179.01 178.05 1gka s VAL 171 N -1.30 -0.01 -1.19 0.00 1.01 -1.26 -5.05 120.40 112.60 1gka s VAL 171 Ca 0.64 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1gka s VAL 171 Cb -0.54 -0.98 0.15 0.00 0.00 0.00 0.00 36.38 35.01 1gka s VAL 171 CO 0.56 -0.68 1.44 -0.31 0.00 0.00 0.00 175.10 176.11 1gka s TYR 172 N 2.07 3.36 -0.10 5.22 2.02 -1.26 -4.76 117.35 123.89 1gka s TYR 172 Ca 0.08 -1.97 0.16 0.00 -0.37 0.00 0.00 57.07 54.97 1gka s TYR 172 Cb -0.16 -4.37 -0.20 0.00 -0.40 0.00 0.00 41.96 36.83 1gka s TYR 172 CO -0.33 -1.47 0.63 0.54 -1.57 0.00 0.00 175.55 173.35 1gka n ARG 173 N 6.14 0.64 0.00 -0.62 1.74 -1.26 -5.15 116.66 118.15 1gka n ARG 173 Ca 0.37 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1gka n ARG 173 Cb 0.44 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1gka n ARG 173 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11