#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gka s MET 9 N 0.00 2.47 0.47 -1.40 1.00 -1.26 -5.08 119.30 115.50 3gka s MET 9 Ca 0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 55.69 54.63 3gka s MET 9 Cb 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 34.83 32.28 3gka s MET 9 CO 0.00 0.56 1.32 -1.25 0.00 0.00 0.00 175.02 175.66 3gka s PRO 10 N -1.89 3.58 0.41 2.03 0.04 -1.26 -4.91 135.00 133.00 3gka s PRO 10 Ca 0.21 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.40 3gka s PRO 10 Cb -0.11 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 3gka s PRO 10 CO 0.12 -0.82 0.67 0.45 0.04 0.00 0.00 177.00 177.46 3gka s SER 11 N -0.87 6.29 0.57 6.66 0.15 -1.26 -4.46 113.70 120.77 3gka s SER 11 Ca 0.64 0.70 0.30 0.00 0.70 0.00 0.00 55.95 58.29 3gka s SER 11 Cb -0.38 -2.14 1.72 0.00 -1.71 0.00 0.00 66.02 63.50 3gka s SER 11 CO 0.48 -0.43 2.18 -0.07 1.20 0.00 0.00 173.24 176.60 3gka h LEU 12 N 0.53 0.00 -1.61 3.45 3.38 -1.95 -2.30 115.31 116.81 3gka h LEU 12 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3gka h LEU 12 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gka h LEU 12 CO 0.62 0.05 0.00 0.49 0.09 0.00 0.00 178.44 179.69 3gka n PHE 13 N -3.66 0.01 -2.75 1.13 3.72 -1.26 -0.65 117.46 114.00 3gka n PHE 13 Ca -0.02 -0.01 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 3gka n PHE 13 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3gka n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gka s ASP 14 N -1.99 6.93 1.04 4.37 1.01 -0.87 -4.65 116.67 122.52 3gka s ASP 14 Ca 0.32 1.79 -0.12 0.00 0.71 0.00 0.00 52.55 55.24 3gka s ASP 14 Cb 0.20 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 41.79 3gka s ASP 14 CO 0.31 -0.36 1.07 -2.16 0.21 0.00 0.00 175.17 174.24 3gka s PRO 15 N -2.86 0.07 -0.10 8.23 0.04 -1.25 -3.50 135.00 135.63 3gka s PRO 15 Ca 0.60 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 3gka s PRO 15 Cb -0.13 -1.68 0.04 0.00 0.04 0.00 0.00 34.50 32.76 3gka s PRO 15 CO 0.18 -3.01 0.25 -1.17 0.04 0.00 0.00 177.00 173.28 3gka s LEU 16 N -6.69 0.55 -0.22 -3.56 2.96 -0.85 -4.89 118.68 105.98 3gka s LEU 16 Ca 0.66 0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 54.93 3gka s LEU 16 Cb -0.21 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.20 3gka s LEU 16 CO 0.60 -0.15 0.39 -0.89 -1.32 0.00 0.00 176.35 174.98 3gka s THR 17 N 1.02 5.19 -0.17 3.68 2.01 -1.26 0.06 115.64 126.17 3gka s THR 17 Ca -0.07 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 3gka s THR 17 Cb -0.09 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3gka s THR 17 CO -0.07 0.23 -0.14 0.27 -0.69 0.00 0.00 174.62 174.22 3gka s ILE 18 N 1.50 2.72 0.00 1.82 -4.36 0.54 -4.94 121.20 118.48 3gka s ILE 18 Ca 0.18 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 3gka s ILE 18 Cb -0.15 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.39 3gka s ILE 18 CO 0.08 0.50 0.00 0.61 0.24 0.00 0.00 174.94 176.37 3gka n GLY 19 N 4.29 4.29 1.01 6.27 0.00 -1.25 -0.66 105.19 119.14 3gka n GLY 19 Ca -0.19 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3gka n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gka n ASP 20 N 8.54 3.77 -4.49 1.61 5.75 -1.26 -4.97 116.55 125.49 3gka n ASP 20 Ca 0.00 -2.41 -0.34 0.00 -0.01 0.00 0.00 54.79 52.03 3gka n ASP 20 Cb 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 3gka n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3gka s LEU 21 N -1.75 3.22 -0.18 -2.12 2.96 0.17 -5.10 118.68 115.89 3gka s LEU 21 Ca 0.37 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.02 3gka s LEU 21 Cb 0.25 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 3gka s LEU 21 CO 0.17 0.16 0.22 -0.89 -1.32 0.00 0.00 176.35 174.69 3gka s THR 22 N 0.40 5.35 -0.10 3.68 2.01 -1.26 -0.34 115.64 125.39 3gka s THR 22 Ca -0.04 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 3gka s THR 22 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3gka s THR 22 CO 0.03 0.41 0.08 -0.76 -0.69 0.00 0.00 174.62 173.69 3gka s LEU 23 N 0.45 4.02 0.53 4.42 1.43 0.11 -4.96 118.68 124.68 3gka s LEU 23 Ca 0.13 0.31 0.23 0.00 -1.03 0.00 0.00 54.13 53.77 3gka s LEU 23 Cb -0.12 -1.99 1.45 0.00 0.03 0.00 0.00 46.19 45.56 3gka s LEU 23 CO 0.01 0.38 2.13 0.00 0.23 0.00 0.00 176.35 179.11 3gka h ALA 24 N 4.96 1.60 -2.39 4.21 0.00 -1.87 -2.25 119.26 123.52 3gka h ALA 24 Ca -0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3gka h ALA 24 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gka h ALA 24 CO 0.57 0.09 0.14 0.27 0.00 0.00 0.00 179.25 180.32 3gka n ASN 25 N -4.04 -1.00 -0.92 0.00 0.23 -1.26 -3.75 115.26 104.53 3gka n ASN 25 Ca -0.03 -1.68 0.02 0.00 -0.53 0.00 0.00 54.58 52.37 3gka n ASN 25 Cb 0.16 1.66 0.21 0.00 -2.08 0.00 0.00 39.78 39.73 3gka n ASN 25 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3gka n ARG 26 N -0.25 2.07 -3.64 -3.83 1.74 0.18 -4.32 116.66 108.61 3gka n ARG 26 Ca -0.04 -3.02 -0.40 0.00 -0.77 0.00 0.00 57.85 53.62 3gka n ARG 26 Cb 0.26 -1.78 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 3gka n ARG 26 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gka s ILE 27 N -3.08 4.33 -0.05 0.55 1.01 -1.25 -1.55 121.20 121.15 3gka s ILE 27 Ca 0.42 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3gka s ILE 27 Cb 0.37 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3gka s ILE 27 CO 0.02 -0.22 -0.06 -0.63 0.00 0.00 0.00 174.94 174.05 3gka s ILE 28 N 1.50 3.79 -0.32 2.92 -1.09 -0.29 -0.56 121.20 127.16 3gka s ILE 28 Ca 0.01 -0.53 -0.20 0.00 -2.23 0.00 0.00 60.65 57.70 3gka s ILE 28 Cb -0.19 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 3gka s ILE 28 CO 0.05 0.54 0.61 -0.32 -1.23 0.00 0.00 174.94 174.60 3gka s MET 29 N -1.01 3.82 0.80 2.79 -2.45 -0.41 -1.31 119.30 121.53 3gka s MET 29 Ca 0.14 0.18 -0.12 0.00 -1.25 0.00 0.00 55.69 54.64 3gka s MET 29 Cb -0.11 -3.76 0.08 0.00 1.25 0.00 0.00 34.83 32.29 3gka s MET 29 CO 0.03 -0.61 1.14 0.00 1.05 0.00 0.00 175.02 176.63 3gka s ALA 30 N 2.60 1.98 0.08 4.11 0.00 -0.28 -1.85 121.76 128.41 3gka s ALA 30 Ca 0.24 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 3gka s ALA 30 Cb -0.15 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3gka s ALA 30 CO 0.13 -2.08 1.54 -1.25 0.00 0.00 0.00 175.76 174.10 3gka s PRO 31 N -4.49 4.24 -0.28 0.00 0.04 -1.21 -4.67 135.00 128.63 3gka s PRO 31 Ca 0.67 2.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.91 3gka s PRO 31 Cb -0.22 -3.43 0.09 0.00 0.04 0.00 0.00 34.50 30.97 3gka s PRO 31 CO 0.52 -0.62 0.09 -0.51 0.04 0.00 0.00 177.00 176.52 3gka s LEU 32 N 1.99 1.61 0.08 -3.56 1.43 -1.26 -4.88 118.68 114.08 3gka s LEU 32 Ca 0.69 -1.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.13 3gka s LEU 32 Cb -0.38 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 3gka s LEU 32 CO 0.30 -0.39 1.90 0.41 0.23 0.00 0.00 176.35 178.80 3gka n THR 33 N 4.98 0.55 0.00 5.49 -1.04 -1.26 -4.20 114.28 118.81 3gka n THR 33 Ca -0.05 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3gka n THR 33 Cb 0.43 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 3gka n THR 33 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gka n ARG 34 N 6.50 2.14 -3.55 -2.82 5.12 -1.26 -4.87 116.66 117.92 3gka n ARG 34 Ca 0.19 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.89 3gka n ARG 34 Cb 0.38 -0.81 0.08 0.00 -1.16 0.00 0.00 32.46 30.96 3gka n ARG 34 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gka n ALA 35 N -1.20 -1.57 -0.64 7.54 0.00 -1.26 -4.43 120.51 118.94 3gka n ALA 35 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.76 3gka n ALA 35 Cb 0.00 -4.36 0.35 0.00 0.00 0.00 0.00 19.45 15.44 3gka n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gka n ARG 36 N -4.69 3.71 0.02 0.00 5.12 -1.22 -4.44 116.66 115.16 3gka n ARG 36 Ca -0.10 -2.86 0.13 0.00 -1.93 0.00 0.00 57.85 53.09 3gka n ARG 36 Cb 0.60 -1.88 0.49 0.00 -1.16 0.00 0.00 32.46 30.51 3gka n ARG 36 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gka n ALA 37 N 0.98 2.58 -0.86 7.54 0.00 -0.50 -4.85 120.51 125.40 3gka n ALA 37 Ca 0.25 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.66 3gka n ALA 37 Cb 0.88 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3gka n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 38 N 1.46 -1.97 0.38 0.00 0.00 -1.23 -3.43 105.19 100.40 3gka n GLY 38 Ca 0.06 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 44.96 3gka n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gka h ASP 39 N -0.73 0.31 0.99 1.61 3.32 -1.96 -2.07 116.42 117.88 3gka h ASP 39 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gka h ASP 39 Cb 0.72 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3gka h ASP 39 CO 0.01 0.16 -0.07 0.35 -1.72 0.00 0.00 179.24 177.97 3gka n THR 40 N -4.45 0.07 -2.67 0.35 -2.24 -1.26 -4.89 114.28 99.18 3gka n THR 40 Ca 0.13 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.67 3gka n THR 40 Cb 0.55 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3gka n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gka n ARG 41 N -1.59 -3.08 -4.51 -0.78 1.74 -0.78 -4.94 116.66 102.72 3gka n ARG 41 Ca 0.07 0.95 -0.33 0.00 -0.77 0.00 0.00 57.85 57.76 3gka n ARG 41 Cb 0.35 -5.66 -0.14 0.00 -1.02 0.00 0.00 32.46 25.98 3gka n ARG 41 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gka s THR 42 N -3.09 3.03 0.61 0.55 2.01 -1.22 -2.14 115.64 115.39 3gka s THR 42 Ca 0.14 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.29 3gka s THR 42 Cb -0.06 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3gka s THR 42 CO 0.17 0.50 1.30 -2.84 -0.69 0.00 0.00 174.62 173.06 3gka s PRO 43 N 0.71 2.80 0.38 4.92 0.02 -1.26 -4.76 135.00 137.82 3gka s PRO 43 Ca -0.05 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.10 3gka s PRO 43 Cb -0.15 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3gka s PRO 43 CO 0.02 -1.40 0.22 0.54 -0.33 0.00 0.00 177.00 176.04 3gka s ASN 44 N -1.30 2.32 0.55 2.53 2.20 -1.26 -4.44 114.94 115.54 3gka s ASN 44 Ca 0.78 -1.76 0.30 0.00 -0.94 0.00 0.00 52.86 51.25 3gka s ASN 44 Cb -0.37 0.59 1.63 0.00 -2.00 0.00 0.00 41.25 41.10 3gka s ASN 44 CO 0.41 -1.04 2.13 0.00 -2.94 0.00 0.00 177.10 175.67 3gka h ALA 45 N 1.92 1.26 -0.19 3.54 0.00 -1.95 -2.27 119.26 121.58 3gka h ALA 45 Ca -0.29 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3gka h ALA 45 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gka h ALA 45 CO 0.44 0.09 -0.19 1.25 0.00 0.00 0.00 179.25 180.85 3gka h LEU 46 N 0.00 0.49 -0.81 0.00 5.85 -1.97 -1.93 115.31 116.94 3gka h LEU 46 Ca -0.00 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3gka h LEU 46 Cb 0.25 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3gka h LEU 46 CO 0.01 0.87 0.45 0.24 -0.34 0.00 0.00 178.44 179.66 3gka h MET 47 N 0.12 1.13 -0.72 1.25 2.86 -1.78 -1.65 114.93 116.14 3gka h MET 47 Ca 0.03 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3gka h MET 47 Cb 0.73 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3gka h MET 47 CO 0.05 0.84 0.46 0.00 1.06 0.00 0.00 176.91 179.31 3gka h ALA 48 N 1.24 0.94 -0.68 6.32 0.00 -1.31 -0.75 119.26 125.02 3gka h ALA 48 Ca 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3gka h ALA 48 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3gka h ALA 48 CO -0.05 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.65 3gka h ARG 49 N 0.89 1.06 -0.22 0.00 3.08 -1.03 -0.76 114.38 117.40 3gka h ARG 49 Ca 0.29 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gka h ARG 49 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3gka h ARG 49 CO -0.10 0.93 0.13 -0.92 -1.07 0.00 0.00 179.97 178.93 3gka h TYR 50 N 0.99 0.30 -0.16 3.04 3.20 -0.58 -1.63 116.97 122.14 3gka h TYR 50 Ca 0.22 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3gka h TYR 50 Cb 0.32 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3gka h TYR 50 CO 0.02 0.24 -0.30 1.88 -1.64 0.00 0.00 178.16 178.37 3gka h TYR 51 N 0.26 0.61 -0.75 -3.82 -1.99 -1.14 -3.21 116.97 106.92 3gka h TYR 51 Ca 0.08 -0.22 0.07 0.00 2.00 0.00 0.00 58.73 60.66 3gka h TYR 51 Cb 0.04 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 3gka h TYR 51 CO -0.04 0.93 0.42 0.00 -0.00 0.00 0.00 178.16 179.47 3gka h ALA 52 N 0.57 1.03 0.00 3.88 0.00 -1.03 0.11 119.26 123.81 3gka h ALA 52 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gka h ALA 52 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gka h ALA 52 CO 0.07 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 3gka n GLU 53 N -4.76 0.29 -0.21 0.00 0.28 -0.62 -1.51 120.64 114.11 3gka n GLU 53 Ca 0.11 0.10 0.07 0.00 -0.16 0.00 0.00 57.16 57.28 3gka n GLU 53 Cb 0.22 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.77 3gka n GLU 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3gka n ARG 54 N -1.26 2.79 0.00 3.44 1.74 -0.01 -4.30 116.66 119.07 3gka n ARG 54 Ca 0.09 -2.16 0.09 0.00 -0.77 0.00 0.00 57.85 55.11 3gka n ARG 54 Cb 0.14 -1.33 0.54 0.00 -1.02 0.00 0.00 32.46 30.79 3gka n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gka n ALA 55 N 0.75 2.24 0.80 7.54 0.00 -0.57 -1.99 120.51 129.28 3gka n ALA 55 Ca 0.14 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3gka n ALA 55 Cb 0.46 -1.30 0.51 0.00 0.00 0.00 0.00 19.45 19.12 3gka n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gka n SER 56 N -0.95 0.43 -4.71 0.00 3.41 -1.26 -3.50 113.62 107.04 3gka n SER 56 Ca 0.14 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.88 3gka n SER 56 Cb 0.06 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 3gka n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gka n ALA 57 N -1.65 1.46 -0.32 7.33 0.00 -0.84 -4.89 120.51 121.60 3gka n ALA 57 Ca 0.06 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.84 3gka n ALA 57 Cb 0.39 -2.29 0.22 0.00 0.00 0.00 0.00 19.45 17.77 3gka n ALA 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gka h GLY 58 N 2.19 1.49 -5.11 0.00 0.00 -1.02 -3.42 103.07 97.20 3gka h GLY 58 Ca -0.48 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.37 3gka h GLY 58 CO 0.60 0.08 -0.32 -2.27 0.00 0.00 0.00 176.54 174.63 3gka s LEU 59 N -10.28 0.77 -0.15 3.11 2.96 -1.25 -4.31 118.68 109.52 3gka s LEU 59 Ca -0.12 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3gka s LEU 59 Cb 0.22 1.16 -0.04 0.00 0.50 0.00 0.00 46.19 48.03 3gka s LEU 59 CO 0.79 -0.20 0.02 -0.63 -1.32 0.00 0.00 176.35 175.02 3gka s ILE 60 N -0.20 4.46 -0.22 6.68 1.01 0.02 -1.29 121.20 131.66 3gka s ILE 60 Ca -0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3gka s ILE 60 Cb -0.03 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3gka s ILE 60 CO 0.01 0.51 0.07 -0.63 0.00 0.00 0.00 174.94 174.90 3gka s ILE 61 N 0.04 4.46 0.93 2.92 1.01 -0.77 -0.96 121.20 128.82 3gka s ILE 61 Ca 0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3gka s ILE 61 Cb -0.13 -3.06 0.15 0.00 0.01 0.00 0.00 42.46 39.44 3gka s ILE 61 CO 0.02 0.38 1.09 -0.94 0.00 0.00 0.00 174.94 175.49 3gka s SER 62 N 1.18 3.10 0.50 3.58 1.04 -0.40 -3.34 113.70 119.36 3gka s SER 62 Ca 0.04 1.67 -0.21 0.00 0.48 0.00 0.00 55.95 57.93 3gka s SER 62 Cb -0.14 -2.31 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 3gka s SER 62 CO 0.03 -2.90 0.75 -1.84 0.98 0.00 0.00 173.24 170.27 3gka n GLU 63 N -4.07 0.84 -1.64 4.02 0.28 -1.26 -4.25 120.64 114.56 3gka n GLU 63 Ca 0.08 0.31 -0.51 0.00 -0.16 0.00 0.00 57.16 56.88 3gka n GLU 63 Cb 0.54 -1.84 -0.06 0.00 1.43 0.00 0.00 31.44 31.52 3gka n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gka n ALA 64 N -1.15 -0.06 -3.97 -1.84 0.00 -1.26 -4.28 120.51 107.95 3gka n ALA 64 Ca 0.11 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 3gka n ALA 64 Cb 0.43 -2.22 -0.16 0.00 0.00 0.00 0.00 19.45 17.50 3gka n ALA 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gka s THR 65 N 1.61 1.55 0.24 0.00 2.01 -0.39 -4.62 115.64 116.04 3gka s THR 65 Ca 0.87 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 3gka s THR 65 Cb -0.88 -1.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.08 3gka s THR 65 CO 0.49 0.45 1.26 -0.44 -0.69 0.00 0.00 174.62 175.70 3gka s SER 66 N 1.43 6.94 0.00 3.53 0.01 -0.95 -1.22 113.70 123.45 3gka s SER 66 Ca 0.04 2.44 0.25 0.00 1.31 0.00 0.00 55.95 59.99 3gka s SER 66 Cb -0.13 -2.62 0.56 0.00 0.21 0.00 0.00 66.02 64.04 3gka s SER 66 CO -0.10 -0.45 1.45 1.33 0.41 0.00 0.00 173.24 175.88 3gka n VAL 67 N 1.93 0.00 -3.57 3.43 0.24 -0.52 -1.85 118.33 117.99 3gka n VAL 67 Ca 0.03 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 3gka n VAL 67 Cb 0.43 0.31 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 3gka n VAL 67 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3gka s THR 68 N -2.86 0.01 0.54 3.34 -1.32 -1.26 -4.43 115.64 109.66 3gka s THR 68 Ca 0.15 -0.11 0.28 0.00 -1.21 0.00 0.00 61.69 60.80 3gka s THR 68 Cb 0.18 -0.92 0.43 0.00 -1.51 0.00 0.00 72.50 70.68 3gka s THR 68 CO 0.65 -0.06 1.94 -0.65 -2.21 0.00 0.00 174.62 174.29 3gka h PRO 69 N 3.13 0.00 0.00 7.08 0.11 -1.99 0.90 132.00 141.23 3gka h PRO 69 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3gka h PRO 69 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gka h PRO 69 CO 0.39 0.00 -0.18 0.37 -0.21 0.00 0.00 178.00 178.37 3gka h GLN 70 N 0.00 0.00 -0.77 1.05 4.15 -1.95 -3.04 115.11 114.55 3gka h GLN 70 Ca 0.32 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.54 3gka h GLN 70 Cb 1.31 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.88 3gka h GLN 70 CO -0.00 0.18 0.25 0.41 -1.93 0.00 0.00 178.83 177.74 3gka n GLY 71 N -0.84 3.47 3.84 2.39 0.00 0.31 -4.69 105.19 109.67 3gka n GLY 71 Ca -0.02 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 3gka n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gka s VAL 72 N -2.80 5.42 -0.00 1.61 1.01 -1.15 -2.20 120.40 122.28 3gka s VAL 72 Ca 0.51 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3gka s VAL 72 Cb 0.41 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3gka s VAL 72 CO 0.13 0.57 0.54 0.61 0.00 0.00 0.00 175.10 176.95 3gka n GLY 73 N 2.31 -2.58 3.14 4.51 0.00 -1.26 -4.75 105.19 106.56 3gka n GLY 73 Ca -0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3gka n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gka s TYR 74 N -0.06 0.11 0.33 1.61 2.02 -1.26 -4.76 117.35 115.35 3gka s TYR 74 Ca 0.00 -0.35 -0.27 0.00 -0.37 0.00 0.00 57.07 56.08 3gka s TYR 74 Cb 0.00 -0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.39 3gka s TYR 74 CO 0.00 -0.38 1.08 0.00 -1.57 0.00 0.00 175.55 174.68 3gka s ALA 75 N -2.41 3.26 -1.21 3.71 0.00 -1.26 -4.15 121.76 119.70 3gka s ALA 75 Ca -0.06 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3gka s ALA 75 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3gka s ALA 75 CO -0.03 -0.20 0.00 0.43 0.00 0.00 0.00 175.76 175.96 3gka n SER 76 N 0.62 -4.64 -4.86 0.00 7.64 -1.26 -4.79 113.62 106.32 3gka n SER 76 Ca 0.02 0.28 -0.35 0.00 1.01 0.00 0.00 58.87 59.83 3gka n SER 76 Cb 0.47 -3.15 -0.06 0.00 -1.01 0.00 0.00 64.21 60.46 3gka n SER 76 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gka s THR 77 N -2.33 5.06 0.64 0.44 -4.23 -1.26 -1.41 115.64 112.55 3gka s THR 77 Ca 0.00 0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 3gka s THR 77 Cb 0.00 -3.66 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 3gka s THR 77 CO 0.00 0.33 1.01 -2.16 -0.54 0.00 0.00 174.62 173.25 3gka s PRO 78 N -1.79 3.09 0.50 3.99 0.04 -1.26 -4.62 135.00 134.94 3gka s PRO 78 Ca 0.32 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.78 3gka s PRO 78 Cb -0.14 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 3gka s PRO 78 CO 0.17 -0.78 0.15 0.20 0.04 0.00 0.00 177.00 176.78 3gka s GLY 79 N -4.29 2.69 -0.00 0.56 0.00 -0.91 -2.23 107.32 103.14 3gka s GLY 79 Ca 0.55 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 44.25 3gka s GLY 79 CO 0.50 -2.07 1.03 4.51 0.00 0.00 0.00 173.10 177.07 3gka n ILE 80 N -1.38 0.03 0.21 0.90 0.13 -0.77 -4.82 119.36 113.66 3gka n ILE 80 Ca -0.10 -0.21 0.11 0.00 -1.10 0.00 0.00 62.75 61.45 3gka n ILE 80 Cb 0.66 0.57 -0.00 0.00 -0.84 0.00 0.00 39.64 40.03 3gka n ILE 80 CO 0.00 0.00 0.00 -2.67 2.80 0.00 0.00 176.55 176.68 3gka n TRP 81 N 0.06 0.70 -4.33 9.51 2.14 -1.26 -4.51 117.44 119.75 3gka n TRP 81 Ca 0.01 0.20 -0.27 0.00 2.07 0.00 0.00 57.50 59.52 3gka n TRP 81 Cb 0.78 -0.79 -0.10 0.00 -0.81 0.00 0.00 31.31 30.38 3gka n TRP 81 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3gka s SER 82 N -4.92 4.03 0.25 -0.67 1.04 -1.26 -5.02 113.70 107.15 3gka s SER 82 Ca -0.00 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 3gka s SER 82 Cb 0.11 -0.59 0.45 0.00 0.10 0.00 0.00 66.02 66.09 3gka s SER 82 CO 0.80 0.10 1.75 -0.65 0.98 0.00 0.00 173.24 176.23 3gka h PRO 83 N 2.94 0.53 -0.74 4.02 0.11 -1.99 -1.62 132.00 135.24 3gka h PRO 83 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3gka h PRO 83 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3gka h PRO 83 CO 0.53 0.35 0.30 0.93 -0.21 0.00 0.00 178.00 179.90 3gka h GLU 84 N 0.54 1.10 -0.41 1.05 5.08 -1.99 -1.76 114.58 118.18 3gka h GLU 84 Ca 0.41 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3gka h GLU 84 Cb 0.57 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gka h GLU 84 CO -0.36 0.89 -0.22 1.96 -1.00 0.00 0.00 179.01 180.28 3gka h GLN 85 N 1.07 0.82 -0.54 2.33 4.20 -1.79 -1.46 115.11 119.74 3gka h GLN 85 Ca 0.25 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.64 3gka h GLN 85 Cb 0.20 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3gka h GLN 85 CO -0.02 0.96 0.34 0.28 -0.67 0.00 0.00 178.83 179.72 3gka h VAL 86 N 0.71 1.09 -0.32 -0.54 2.07 -0.96 0.64 116.25 118.93 3gka h VAL 86 Ca 0.10 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3gka h VAL 86 Cb 0.74 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3gka h VAL 86 CO 0.06 0.12 -0.22 -0.78 0.02 0.00 0.00 177.57 176.77 3gka h ASP 87 N 0.68 0.63 -0.12 0.57 3.58 -1.15 -1.19 116.42 119.42 3gka h ASP 87 Ca 0.21 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3gka h ASP 87 Cb -0.02 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3gka h ASP 87 CO -0.07 0.84 0.00 1.23 -2.88 0.00 0.00 179.24 178.36 3gka h GLY 88 N 0.99 0.11 1.62 -0.78 0.00 -0.81 -2.77 103.07 101.43 3gka h GLY 88 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3gka h GLY 88 CO 0.05 -0.02 0.10 1.49 0.00 0.00 0.00 176.54 178.16 3gka h TRP 89 N 0.04 0.49 -0.95 5.60 4.06 -0.54 -2.39 115.95 122.26 3gka h TRP 89 Ca 0.05 -0.02 0.21 0.00 2.06 0.00 0.00 58.89 61.19 3gka h TRP 89 Cb 0.06 -0.15 -0.11 0.00 -1.00 0.00 0.00 29.16 27.95 3gka h TRP 89 CO -0.13 0.42 0.53 -0.09 -3.56 0.00 0.00 178.44 175.61 3gka h ARG 90 N 0.49 0.58 -0.99 0.49 9.65 -0.93 0.72 114.38 124.39 3gka h ARG 90 Ca 0.12 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3gka h ARG 90 Cb 0.16 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 3gka h ARG 90 CO -0.01 0.39 0.66 -0.07 2.80 0.00 0.00 179.97 183.74 3gka h LEU 91 N 0.60 1.14 -0.02 3.80 3.38 -1.34 -0.76 115.31 122.11 3gka h LEU 91 Ca 0.58 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 3gka h LEU 91 Cb 1.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3gka h LEU 91 CO -0.44 0.83 -0.06 0.58 0.09 0.00 0.00 178.44 179.43 3gka h VAL 92 N 1.35 1.49 -0.57 1.22 2.07 -0.99 -2.42 116.25 118.39 3gka h VAL 92 Ca 0.36 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.26 3gka h VAL 92 Cb -0.16 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3gka h VAL 92 CO -0.08 0.41 0.00 0.71 0.02 0.00 0.00 177.57 178.63 3gka h THR 93 N -0.53 1.26 -0.31 2.57 1.35 -0.96 -0.79 112.91 115.51 3gka h THR 93 Ca -0.00 -1.11 0.02 0.00 -0.55 0.00 0.00 66.41 64.76 3gka h THR 93 Cb 0.70 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 3gka h THR 93 CO 0.01 0.40 0.17 0.44 -0.25 0.00 0.00 175.52 176.29 3gka h ASP 94 N 0.90 0.26 -0.40 5.36 3.32 -1.22 -0.23 116.42 124.41 3gka h ASP 94 Ca 0.17 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3gka h ASP 94 Cb 0.52 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3gka h ASP 94 CO 0.03 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3gka h ALA 95 N 1.15 0.54 -0.14 3.45 0.00 -1.07 0.70 119.26 123.89 3gka h ALA 95 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gka h ALA 95 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gka h ALA 95 CO -0.07 0.31 0.06 0.28 0.00 0.00 0.00 179.25 179.83 3gka h VAL 96 N 0.53 1.15 -0.60 0.00 2.07 -1.11 -2.25 116.25 116.04 3gka h VAL 96 Ca 0.11 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3gka h VAL 96 Cb 0.47 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3gka h VAL 96 CO 0.02 0.14 0.34 0.45 0.02 0.00 0.00 177.57 178.53 3gka h HIS 97 N 0.07 0.82 -0.88 1.57 -0.00 -0.89 -0.25 115.15 115.59 3gka h HIS 97 Ca 0.05 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.52 3gka h HIS 97 Cb 0.17 -0.26 -0.07 0.00 -0.00 0.00 0.00 27.41 27.25 3gka h HIS 97 CO -0.02 0.59 0.57 0.00 -0.00 0.00 0.00 177.93 179.07 3gka h ALA 98 N 1.16 1.75 -0.01 2.45 0.00 -0.71 0.13 119.26 124.03 3gka h ALA 98 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gka h ALA 98 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gka h ALA 98 CO -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.25 3gka n ALA 99 N -2.42 2.65 -0.40 0.00 0.00 -0.86 -4.90 120.51 114.58 3gka n ALA 99 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3gka n ALA 99 Cb 0.39 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3gka n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 100 N 1.09 0.76 4.02 0.00 0.00 0.03 -4.78 105.19 106.31 3gka n GLY 100 Ca 0.21 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3gka n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gka s GLY 101 N -2.35 1.78 0.03 -0.02 0.00 -0.16 -4.90 107.32 101.71 3gka s GLY 101 Ca 0.00 -1.92 0.05 0.00 0.00 0.00 0.00 44.72 42.85 3gka s GLY 101 CO 0.00 -1.50 -0.14 0.50 0.00 0.00 0.00 173.10 171.97 3gka s ARG 102 N -4.72 0.94 -0.07 2.90 1.81 -1.26 -4.28 118.95 114.27 3gka s ARG 102 Ca 0.61 -0.72 -0.05 0.00 -1.72 0.00 0.00 55.73 53.85 3gka s ARG 102 Cb -0.07 -0.94 0.03 0.00 -0.45 0.00 0.00 34.95 33.52 3gka s ARG 102 CO 0.39 0.24 0.18 -1.50 -0.68 0.00 0.00 175.30 173.93 3gka s ILE 103 N -0.79 -0.02 -0.08 1.52 2.07 -1.26 -0.80 121.20 121.84 3gka s ILE 103 Ca 0.02 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 3gka s ILE 103 Cb -0.08 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 3gka s ILE 103 CO 0.01 0.04 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.65 3gka s PHE 104 N 0.68 2.93 -0.03 3.50 0.40 -0.14 -0.94 117.98 124.39 3gka s PHE 104 Ca -0.05 -0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 3gka s PHE 104 Cb -0.06 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 3gka s PHE 104 CO -0.04 0.28 0.67 -1.17 0.70 0.00 0.00 175.22 175.67 3gka s LEU 105 N -0.67 4.37 -0.28 -0.37 2.96 -0.99 -1.27 118.68 122.43 3gka s LEU 105 Ca 0.10 1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 55.01 3gka s LEU 105 Cb -0.11 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 3gka s LEU 105 CO 0.02 -0.03 0.65 -1.58 -1.32 0.00 0.00 176.35 174.09 3gka s GLN 106 N 0.37 4.01 -0.08 1.98 0.74 -1.26 -0.84 119.66 124.58 3gka s GLN 106 Ca 0.35 0.45 -0.21 0.00 0.05 0.00 0.00 55.36 56.01 3gka s GLN 106 Cb -0.18 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.20 3gka s GLN 106 CO 0.18 -0.51 0.59 -0.51 -0.55 0.00 0.00 175.29 174.49 3gka s LEU 107 N 2.60 4.31 -0.00 3.68 1.43 0.48 -1.26 118.68 129.92 3gka s LEU 107 Ca 0.26 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3gka s LEU 107 Cb -0.15 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3gka s LEU 107 CO 0.10 -0.03 -0.09 0.86 0.23 0.00 0.00 176.35 177.42 3gka s TRP 108 N 0.58 0.77 -0.08 0.29 -0.00 -0.36 -1.91 118.94 118.24 3gka s TRP 108 Ca 0.32 -0.16 -0.03 0.00 -0.00 0.00 0.00 56.10 56.23 3gka s TRP 108 Cb -0.17 -0.50 0.04 0.00 -0.00 0.00 0.00 33.47 32.85 3gka s TRP 108 CO 0.15 -0.01 0.12 -1.58 -0.00 0.00 0.00 176.95 175.62 3gka s HIS 109 N -0.24 -0.05 0.19 5.86 5.65 -1.26 -1.44 115.29 123.99 3gka s HIS 109 Ca 0.03 0.36 0.21 0.00 0.25 0.00 0.00 55.06 55.90 3gka s HIS 109 Cb -0.04 -0.40 0.81 0.00 -1.18 0.00 0.00 32.58 31.78 3gka s HIS 109 CO -0.00 -0.28 1.79 -0.39 -0.65 0.00 0.00 174.74 175.20 3gka h VAL 110 N 6.40 0.78 0.00 0.89 -1.51 -1.76 0.11 116.25 121.16 3gka h VAL 110 Ca -0.13 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 3gka h VAL 110 Cb 1.12 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 3gka h VAL 110 CO 0.17 0.31 0.00 0.61 -1.23 0.00 0.00 177.57 177.42 3gka n GLY 111 N 0.11 3.61 0.13 5.19 0.00 -1.26 -2.51 105.19 110.46 3gka n GLY 111 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3gka n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gka n ARG 112 N 13.94 0.19 -1.93 1.61 1.85 -0.30 -3.94 116.66 128.08 3gka n ARG 112 Ca 0.00 0.44 -0.42 0.00 -1.00 0.00 0.00 57.85 56.87 3gka n ARG 112 Cb 0.00 -1.87 -0.00 0.00 -1.05 0.00 0.00 32.46 29.53 3gka n ARG 112 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3gka n VAL 113 N -2.23 4.12 -2.34 8.89 0.31 -1.04 -4.78 118.33 121.25 3gka n VAL 113 Ca 0.02 -3.63 0.00 0.00 -0.01 0.00 0.00 64.34 60.71 3gka n VAL 113 Cb 0.22 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 3gka n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gka n SER 114 N 4.39 0.00 -3.57 4.52 2.88 -1.26 -4.58 113.62 116.00 3gka n SER 114 Ca 0.52 -0.30 -0.14 0.00 -1.33 0.00 0.00 58.87 57.62 3gka n SER 114 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 3gka n SER 114 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3gka s ASP 115 N 1.09 -0.54 0.56 -3.46 2.15 -1.26 -4.71 116.67 110.48 3gka s ASP 115 Ca 0.00 0.73 0.36 0.00 0.43 0.00 0.00 52.55 54.08 3gka s ASP 115 Cb 0.00 0.63 1.52 0.00 -0.30 0.00 0.00 42.92 44.77 3gka s ASP 115 CO 0.00 -0.41 1.76 -0.65 -0.17 0.00 0.00 175.17 175.71 3gka h PRO 116 N 3.29 0.00 -0.24 4.34 0.11 -1.88 0.08 132.00 137.70 3gka h PRO 116 Ca -0.24 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.90 3gka h PRO 116 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3gka h PRO 116 CO 0.28 0.00 0.17 -0.39 -0.21 0.00 0.00 178.00 177.84 3gka h VAL 117 N 0.00 0.97 0.00 3.15 -1.51 -1.93 0.17 116.25 117.10 3gka h VAL 117 Ca 0.55 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 3gka h VAL 117 Cb 2.30 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 3gka h VAL 117 CO -0.01 0.03 -0.71 0.49 -1.23 0.00 0.00 177.57 176.15 3gka n PHE 118 N -4.49 0.03 -1.46 5.19 3.72 0.00 -4.41 117.46 116.03 3gka n PHE 118 Ca 0.02 0.01 0.07 0.00 -0.05 0.00 0.00 57.45 57.50 3gka n PHE 118 Cb 0.19 -0.20 0.19 0.00 -0.94 0.00 0.00 39.48 38.73 3gka n PHE 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3gka n LEU 119 N -1.55 2.60 -2.97 4.37 4.77 -0.67 -4.92 117.00 118.63 3gka n LEU 119 Ca 0.05 -3.68 -0.21 0.00 -0.03 0.00 0.00 56.01 52.13 3gka n LEU 119 Cb 0.34 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3gka n LEU 119 CO 0.38 1.22 -0.06 0.47 -1.33 0.00 0.00 177.39 178.07 3gka n ASP 120 N -1.20 -5.17 0.00 -1.43 8.00 -1.04 -1.74 116.55 113.96 3gka n ASP 120 Ca 0.18 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3gka n ASP 120 Cb 0.68 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 3gka n ASP 120 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gka n GLY 121 N -1.28 1.66 3.78 0.44 0.00 -0.04 -5.06 105.19 104.70 3gka n GLY 121 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3gka n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gka s ALA 122 N -2.34 2.72 0.44 4.61 0.00 -0.71 -4.82 121.76 121.67 3gka s ALA 122 Ca 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 3gka s ALA 122 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3gka s ALA 122 CO 0.00 -0.71 1.08 -0.51 0.00 0.00 0.00 175.76 175.62 3gka s LEU 123 N -3.96 4.02 0.67 0.00 1.43 -1.26 -3.72 118.68 115.86 3gka s LEU 123 Ca 0.69 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 3gka s LEU 123 Cb -0.20 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 3gka s LEU 123 CO 0.28 -0.71 1.19 -2.65 0.23 0.00 0.00 176.35 174.69 3gka n PRO 124 N -0.45 0.91 -4.03 1.29 -0.02 -1.26 -4.68 135.00 126.76 3gka n PRO 124 Ca 0.07 0.37 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 3gka n PRO 124 Cb 0.50 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3gka n PRO 124 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gka s VAL 125 N -1.53 4.78 0.27 -1.45 -7.23 -1.25 -0.16 120.40 113.82 3gka s VAL 125 Ca 0.80 -0.88 -0.19 0.00 -1.81 0.00 0.00 61.98 59.90 3gka s VAL 125 Cb -0.37 -3.42 0.01 0.00 0.56 0.00 0.00 36.38 33.16 3gka s VAL 125 CO 0.43 -0.05 0.65 0.00 -0.31 0.00 0.00 175.10 175.83 3gka s ALA 126 N -1.67 -0.95 0.30 1.32 0.00 -0.50 -1.15 121.76 119.10 3gka s ALA 126 Ca 0.32 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.89 3gka s ALA 126 Cb -0.11 0.91 0.47 0.00 0.00 0.00 0.00 23.12 24.39 3gka s ALA 126 CO 0.25 -0.99 1.70 -1.00 0.00 0.00 0.00 175.76 175.72 3gka h PRO 127 N 2.07 0.19 -4.06 0.00 0.13 -1.86 0.11 132.00 128.58 3gka h PRO 127 Ca -0.21 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 3gka h PRO 127 Cb 1.25 -0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.19 3gka h PRO 127 CO 0.26 0.59 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.83 3gka s SER 128 N -6.88 0.33 -1.40 1.44 0.01 -1.26 -4.37 113.70 101.56 3gka s SER 128 Ca -0.04 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 3gka s SER 128 Cb 0.13 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.57 3gka s SER 128 CO 0.77 -0.43 2.08 0.00 0.41 0.00 0.00 173.24 176.07 3gka n ALA 129 N 0.99 5.09 -3.75 1.44 0.00 -1.26 -4.67 120.51 118.35 3gka n ALA 129 Ca -0.20 -3.93 -0.22 0.00 0.00 0.00 0.00 53.44 49.09 3gka n ALA 129 Cb 0.57 -3.49 -0.18 0.00 0.00 0.00 0.00 19.45 16.36 3gka n ALA 129 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gka s ILE 130 N 3.09 0.26 0.24 0.00 1.01 -1.26 -4.80 121.20 119.74 3gka s ILE 130 Ca 0.48 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 3gka s ILE 130 Cb 0.11 -0.44 -0.09 0.00 0.01 0.00 0.00 42.46 42.05 3gka s ILE 130 CO -0.04 0.24 1.05 0.00 0.00 0.00 0.00 174.94 176.19 3gka s ALA 131 N 2.00 3.38 0.87 9.38 0.00 -1.26 -4.63 121.76 131.50 3gka s ALA 131 Ca 0.05 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 3gka s ALA 131 Cb -0.12 -3.30 0.11 0.00 0.00 0.00 0.00 23.12 19.81 3gka s ALA 131 CO -0.05 -0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 3gka s PRO 132 N -1.10 1.48 0.88 0.00 0.04 -1.26 -5.05 135.00 129.99 3gka s PRO 132 Ca 0.45 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 3gka s PRO 132 Cb -0.30 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.57 3gka s PRO 132 CO 0.37 -2.07 1.22 0.20 0.04 0.00 0.00 177.00 176.76 3gka s GLY 133 N -3.56 1.75 0.00 0.56 0.00 -1.26 -4.58 107.32 100.22 3gka s GLY 133 Ca 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3gka s GLY 133 CO 0.56 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.74 3gka n GLY 134 N -3.48 -1.18 3.41 0.20 0.00 -1.26 -4.88 105.19 98.00 3gka n GLY 134 Ca 0.14 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 3gka n GLY 134 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gka s HIS 135 N 0.00 2.09 0.03 1.61 -3.43 -1.26 -3.88 115.29 110.44 3gka s HIS 135 Ca 0.00 -0.41 -0.30 0.00 -0.80 0.00 0.00 55.06 53.55 3gka s HIS 135 Cb 0.00 -0.95 -0.07 0.00 -1.43 0.00 0.00 32.58 30.13 3gka s HIS 135 CO 0.00 0.55 1.56 0.08 -2.00 0.00 0.00 174.74 174.93 3gka s VAL 136 N -2.43 3.35 0.29 -5.38 1.01 -0.80 -4.89 120.40 111.55 3gka s VAL 136 Ca 0.25 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 3gka s VAL 136 Cb -0.05 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 3gka s VAL 136 CO 0.11 -0.01 1.57 -0.44 0.00 0.00 0.00 175.10 176.33 3gka s SER 137 N 2.33 6.40 -1.42 3.32 0.01 -1.26 -3.56 113.70 119.51 3gka s SER 137 Ca 0.70 2.93 -0.02 0.00 1.31 0.00 0.00 55.95 60.87 3gka s SER 137 Cb -0.36 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.24 3gka s SER 137 CO 0.30 -0.89 0.28 0.18 0.41 0.00 0.00 173.24 173.52 3gka n LEU 138 N 2.11 -2.20 -4.07 2.44 4.77 -1.26 -5.00 117.00 113.79 3gka n LEU 138 Ca 0.08 -0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 3gka n LEU 138 Cb 0.38 -2.60 -0.15 0.00 -2.33 0.00 0.00 43.42 38.71 3gka n LEU 138 CO 0.63 0.02 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.56 3gka s VAL 139 N -3.00 1.03 0.07 4.08 1.01 -1.23 -5.03 120.40 117.32 3gka s VAL 139 Ca 0.14 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3gka s VAL 139 Cb -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3gka s VAL 139 CO 0.17 0.30 -0.11 -0.13 0.00 0.00 0.00 175.10 175.33 3gka s ARG 140 N -0.09 0.73 0.71 2.72 3.00 -1.26 -3.75 118.95 121.00 3gka s ARG 140 Ca 0.01 -0.94 -0.15 0.00 0.00 0.00 0.00 55.73 54.65 3gka s ARG 140 Cb -0.07 -0.58 0.03 0.00 0.00 0.00 0.00 34.95 34.33 3gka s ARG 140 CO 0.00 0.11 1.19 -1.25 0.00 0.00 0.00 175.30 175.35 3gka s PRO 141 N -1.94 2.33 0.20 3.54 0.04 -1.26 -5.06 135.00 132.85 3gka s PRO 141 Ca -0.03 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 3gka s PRO 141 Cb -0.08 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 3gka s PRO 141 CO 0.01 -1.67 1.08 1.04 0.04 0.00 0.00 177.00 177.50 3gka n GLN 142 N -2.58 1.13 -3.86 4.56 6.02 -1.25 -5.00 117.38 116.40 3gka n GLN 142 Ca 0.13 0.40 -0.10 0.00 -0.01 0.00 0.00 57.00 57.42 3gka n GLN 142 Cb 0.51 -1.83 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 3gka n GLN 142 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3gka s ARG 143 N -0.71 0.71 0.73 -1.09 1.70 -1.26 -5.06 118.95 113.97 3gka s ARG 143 Ca 0.69 -0.73 -0.11 0.00 -0.47 0.00 0.00 55.73 55.11 3gka s ARG 143 Cb -0.82 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 33.88 3gka s ARG 143 CO 0.54 -0.21 1.07 -1.25 -1.08 0.00 0.00 175.30 174.38 3gka s PRO 144 N -2.88 2.65 0.43 3.89 0.05 -1.26 -1.91 135.00 135.97 3gka s PRO 144 Ca -0.03 0.89 -0.25 0.00 0.05 0.00 0.00 61.00 61.66 3gka s PRO 144 Cb 0.00 -1.96 -0.08 0.00 0.05 0.00 0.00 34.50 32.51 3gka s PRO 144 CO -0.06 -1.28 1.34 0.71 0.05 0.00 0.00 177.00 177.76 3gka s TYR 145 N -3.06 2.69 0.66 0.56 1.51 -1.25 -4.72 117.35 113.73 3gka s TYR 145 Ca 0.59 1.37 -0.11 0.00 -1.01 0.00 0.00 57.07 57.91 3gka s TYR 145 Cb -0.14 -3.74 -0.01 0.00 -0.11 0.00 0.00 41.96 37.95 3gka s TYR 145 CO 0.55 -2.36 1.05 0.14 -1.11 0.00 0.00 175.55 173.82 3gka s VAL 146 N -1.26 4.26 0.01 0.71 -7.23 -1.26 -4.92 120.40 110.71 3gka s VAL 146 Ca 0.59 0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 61.19 3gka s VAL 146 Cb -0.39 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 32.82 3gka s VAL 146 CO 0.50 -0.96 1.32 -0.89 -0.31 0.00 0.00 175.10 174.77 3gka s THR 147 N -3.19 3.84 0.89 5.32 2.01 -1.26 -4.62 115.64 118.63 3gka s THR 147 Ca 0.56 1.25 -0.13 0.00 0.31 0.00 0.00 61.69 63.69 3gka s THR 147 Cb -0.12 -3.80 0.13 0.00 0.01 0.00 0.00 72.50 68.72 3gka s THR 147 CO 0.54 0.02 1.16 -2.16 -0.69 0.00 0.00 174.62 173.49 3gka s PRO 148 N 2.00 1.29 -0.04 4.92 0.04 -1.26 -4.82 135.00 137.12 3gka s PRO 148 Ca 0.61 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.63 3gka s PRO 148 Cb -0.30 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3gka s PRO 148 CO 0.26 -2.08 0.61 0.50 0.04 0.00 0.00 177.00 176.34 3gka s ARG 149 N -5.41 4.36 -0.03 4.56 3.52 0.77 -4.47 118.95 122.25 3gka s ARG 149 Ca 0.64 0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 56.68 3gka s ARG 149 Cb -0.13 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3gka s ARG 149 CO 0.52 0.25 1.25 0.00 -0.81 0.00 0.00 175.30 176.52 3gka s ALA 150 N 0.20 3.51 0.31 6.12 0.00 -1.26 -1.41 121.76 129.23 3gka s ALA 150 Ca 0.32 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 3gka s ALA 150 Cb -0.18 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 3gka s ALA 150 CO 0.17 -0.78 1.55 -0.51 0.00 0.00 0.00 175.76 176.18 3gka s LEU 151 N 2.20 4.35 0.49 0.00 1.43 0.38 -4.90 118.68 122.63 3gka s LEU 151 Ca 0.58 2.93 -0.19 0.00 -1.03 0.00 0.00 54.13 56.42 3gka s LEU 151 Cb -0.27 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.23 3gka s LEU 151 CO 0.24 -0.87 1.00 -1.61 0.23 0.00 0.00 176.35 175.34 3gka s GLU 152 N -0.84 3.87 0.28 1.70 2.02 -1.26 -4.95 118.70 119.52 3gka s GLU 152 Ca 0.60 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.77 3gka s GLU 152 Cb -0.47 -2.12 0.53 0.00 0.10 0.00 0.00 34.13 32.18 3gka s GLU 152 CO 0.51 -0.35 1.83 1.25 0.02 0.00 0.00 175.26 178.51 3gka h LEU 153 N 1.32 0.87 0.00 1.80 5.85 -2.01 -1.37 115.31 121.77 3gka h LEU 153 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3gka h LEU 153 Cb 1.20 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gka h LEU 153 CO 0.60 0.46 0.00 -0.90 -0.34 0.00 0.00 178.44 178.26 3gka n ASP 154 N -4.65 0.00 0.08 1.25 5.68 -1.26 -2.84 116.55 114.80 3gka n ASP 154 Ca 0.18 -0.52 0.12 0.00 -0.50 0.00 0.00 54.79 54.07 3gka n ASP 154 Cb 0.35 -0.15 0.13 0.00 -1.14 0.00 0.00 41.12 40.32 3gka n ASP 154 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gka h GLU 155 N 0.00 0.00 -0.38 0.11 5.08 -1.62 -3.40 114.58 114.37 3gka h GLU 155 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3gka h GLU 155 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3gka h GLU 155 CO 0.00 0.00 -0.05 0.82 -1.00 0.00 0.00 179.01 178.78 3gka h ILE 156 N 0.00 1.27 -0.68 3.13 2.04 -1.56 -1.98 117.51 119.72 3gka h ILE 156 Ca 0.00 -1.10 0.18 0.00 1.00 0.00 0.00 64.86 64.95 3gka h ILE 156 Cb 0.82 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3gka h ILE 156 CO 0.00 0.37 0.48 -0.65 0.00 0.00 0.00 178.15 178.35 3gka h PRO 157 N 0.52 0.11 -0.15 2.37 0.11 -1.79 -0.51 132.00 132.64 3gka h PRO 157 Ca 0.10 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 3gka h PRO 157 Cb 0.55 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3gka h PRO 157 CO 0.03 0.07 -0.40 0.78 -0.21 0.00 0.00 178.00 178.27 3gka h GLY 158 N 0.11 0.38 0.86 -0.55 0.00 -1.63 0.26 103.07 102.50 3gka h GLY 158 Ca 0.33 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3gka h GLY 158 CO -0.04 0.33 -0.12 -2.08 0.00 0.00 0.00 176.54 174.63 3gka h VAL 159 N 0.29 1.30 -0.64 4.60 2.07 -0.94 -1.92 116.25 121.01 3gka h VAL 159 Ca 0.03 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3gka h VAL 159 Cb 0.84 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3gka h VAL 159 CO 0.07 0.37 0.39 0.58 0.02 0.00 0.00 177.57 179.00 3gka h VAL 160 N 0.24 1.19 -0.02 2.57 2.07 -1.09 -2.07 116.25 119.13 3gka h VAL 160 Ca 0.05 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3gka h VAL 160 Cb 0.63 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3gka h VAL 160 CO 0.04 0.19 -0.27 0.00 0.02 0.00 0.00 177.57 177.55 3gka h ALA 161 N 1.20 1.51 -0.27 1.67 0.00 -0.92 0.74 119.26 123.20 3gka h ALA 161 Ca 0.23 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gka h ALA 161 Cb -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gka h ALA 161 CO -0.04 0.36 -0.27 0.00 0.00 0.00 0.00 179.25 179.30 3gka h ALA 162 N 1.69 0.40 -0.80 0.00 0.00 -0.87 -0.98 119.26 118.70 3gka h ALA 162 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gka h ALA 162 Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3gka h ALA 162 CO 0.04 0.40 0.53 0.74 0.00 0.00 0.00 179.25 180.96 3gka h PHE 163 N 0.39 1.01 -0.29 0.00 0.04 -1.03 -0.37 116.94 116.70 3gka h PHE 163 Ca 0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3gka h PHE 163 Cb 0.84 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3gka h PHE 163 CO 0.07 0.63 0.11 -0.09 -0.60 0.00 0.00 178.31 178.44 3gka h ARG 164 N 1.09 0.43 -0.92 1.51 2.43 -0.76 0.25 114.38 118.41 3gka h ARG 164 Ca 0.30 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3gka h ARG 164 Cb -0.12 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3gka h ARG 164 CO -0.07 0.45 0.61 -0.09 -1.51 0.00 0.00 179.97 179.37 3gka h ARG 165 N 0.31 1.20 -0.53 0.20 9.65 -1.11 -1.26 114.38 122.84 3gka h ARG 165 Ca 0.09 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 3gka h ARG 165 Cb 0.19 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3gka h ARG 165 CO -0.01 0.79 0.32 0.78 2.80 0.00 0.00 179.97 184.66 3gka h GLY 166 N 1.23 0.75 1.41 2.80 0.00 -0.56 0.41 103.07 109.12 3gka h GLY 166 Ca 0.34 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3gka h GLY 166 CO -0.08 0.21 -0.06 0.00 0.00 0.00 0.00 176.54 176.61 3gka h ALA 167 N 1.23 1.11 -0.10 3.60 0.00 -0.42 0.05 119.26 124.74 3gka h ALA 167 Ca 0.21 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3gka h ALA 167 Cb 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gka h ALA 167 CO -0.09 0.56 -0.81 1.49 0.00 0.00 0.00 179.25 180.40 3gka h GLU 168 N 0.66 0.65 -0.81 0.00 4.57 -0.92 -2.67 114.58 116.06 3gka h GLU 168 Ca 0.12 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.72 3gka h GLU 168 Cb 0.49 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 3gka h GLU 168 CO 0.03 1.17 0.41 -0.91 -1.18 0.00 0.00 179.01 178.53 3gka h ASN 169 N 0.43 1.04 -0.88 1.04 2.35 -0.71 -0.79 115.58 118.07 3gka h ASN 169 Ca -0.06 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3gka h ASN 169 Cb 1.43 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 3gka h ASN 169 CO 0.16 0.87 0.57 0.00 -1.65 0.00 0.00 177.43 177.38 3gka h ALA 170 N 1.21 1.14 -0.22 -0.83 0.00 -0.96 0.11 119.26 119.71 3gka h ALA 170 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gka h ALA 170 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gka h ALA 170 CO -0.04 0.45 0.07 -0.09 0.00 0.00 0.00 179.25 179.65 3gka h ARG 171 N 1.14 0.34 -0.01 0.00 2.43 -1.13 -2.59 114.38 114.56 3gka h ARG 171 Ca 0.34 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3gka h ARG 171 Cb -0.05 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3gka h ARG 171 CO -0.10 0.42 -0.06 0.00 -1.51 0.00 0.00 179.97 178.72 3gka h ALA 172 N 0.90 1.88 0.00 2.80 0.00 -0.69 -1.98 119.26 122.18 3gka h ALA 172 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gka h ALA 172 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gka h ALA 172 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3gka n ALA 173 N -2.53 2.28 -0.64 0.00 0.00 0.35 -4.91 120.51 115.07 3gka n ALA 173 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3gka n ALA 173 Cb 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3gka n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 174 N 1.02 0.84 3.80 0.00 0.00 -0.74 -3.75 105.19 106.36 3gka n GLY 174 Ca 0.11 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3gka n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gka s PHE 175 N -2.00 2.90 -0.54 1.61 0.08 -1.01 -4.87 117.98 114.15 3gka s PHE 175 Ca 0.00 1.40 0.24 0.00 0.12 0.00 0.00 56.93 58.69 3gka s PHE 175 Cb 0.00 -2.97 0.33 0.00 -0.57 0.00 0.00 43.02 39.81 3gka s PHE 175 CO 0.00 -1.51 1.35 -0.44 -0.10 0.00 0.00 175.22 174.53 3gka h ASP 176 N -0.91 0.00 0.00 1.36 3.32 -1.38 -3.46 116.42 115.35 3gka h ASP 176 Ca -0.44 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3gka h ASP 176 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gka h ASP 176 CO 0.56 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 3gka n GLY 177 N 1.27 -1.10 3.08 2.75 0.00 -1.24 -4.84 105.19 105.11 3gka n GLY 177 Ca 0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 3gka n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gka s VAL 178 N -3.00 0.59 -0.13 1.61 -7.23 -0.65 -2.34 120.40 109.25 3gka s VAL 178 Ca 0.00 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3gka s VAL 178 Cb 0.00 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.16 3gka s VAL 178 CO 0.00 -0.44 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.48 3gka s GLU 179 N -1.88 3.24 -0.15 4.82 2.12 -0.02 -0.66 118.70 126.16 3gka s GLU 179 Ca -0.07 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.26 3gka s GLU 179 Cb -0.08 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 3gka s GLU 179 CO -0.00 0.15 0.76 0.08 -0.54 0.00 0.00 175.26 175.71 3gka s VAL 180 N 0.47 4.95 -1.05 3.70 1.01 -0.17 -0.38 120.40 128.93 3gka s VAL 180 Ca -0.12 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3gka s VAL 180 Cb -0.16 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.20 3gka s VAL 180 CO 0.05 0.10 1.45 -2.28 0.00 0.00 0.00 175.10 174.42 3gka s HIS 181 N 1.79 2.63 -0.44 5.22 2.46 -0.80 -0.47 115.29 125.68 3gka s HIS 181 Ca 0.36 -1.00 0.04 0.00 0.47 0.00 0.00 55.06 54.94 3gka s HIS 181 Cb -0.17 -4.66 0.66 0.00 -0.13 0.00 0.00 32.58 28.28 3gka s HIS 181 CO 0.13 -1.88 1.89 0.41 -2.47 0.00 0.00 174.74 172.83 3gka n GLY 182 N 6.55 4.52 3.17 1.59 0.00 -0.47 -4.55 105.19 116.01 3gka n GLY 182 Ca 0.34 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 3gka n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gka n ALA 183 N -1.14 0.58 -1.99 4.61 0.00 -1.15 -4.17 120.51 117.24 3gka n ALA 183 Ca 0.58 -1.95 -0.16 0.00 0.00 0.00 0.00 53.44 51.90 3gka n ALA 183 Cb 1.63 1.37 -0.04 0.00 0.00 0.00 0.00 19.45 22.42 3gka n ALA 183 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gka n ASN 184 N -1.59 -4.62 -0.13 0.00 3.02 -1.26 -2.50 115.26 108.17 3gka n ASN 184 Ca -0.03 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.74 3gka n ASN 184 Cb 0.58 -4.01 -0.01 0.00 -0.61 0.00 0.00 39.78 35.73 3gka n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gka n GLY 185 N -0.63 0.53 0.37 7.41 0.00 -1.26 -4.54 105.19 107.07 3gka n GLY 185 Ca -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 3gka n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gka n TYR 186 N -2.89 -3.68 -0.16 1.61 4.02 -1.04 -4.54 117.16 110.48 3gka n TYR 186 Ca -0.02 -0.14 -0.02 0.00 -0.01 0.00 0.00 57.90 57.71 3gka n TYR 186 Cb 0.09 -0.08 0.07 0.00 -0.02 0.00 0.00 39.34 39.39 3gka n TYR 186 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3gka h LEU 187 N 0.00 -0.04 -0.76 7.72 5.85 -1.02 0.03 115.31 127.08 3gka h LEU 187 Ca -0.04 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3gka h LEU 187 Cb 0.11 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3gka h LEU 187 CO 0.03 0.00 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.45 3gka h LEU 188 N 0.21 0.03 -0.33 2.25 3.38 -1.80 -2.46 115.31 116.59 3gka h LEU 188 Ca 0.25 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 3gka h LEU 188 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3gka h LEU 188 CO -0.35 0.63 -0.84 -0.78 0.09 0.00 0.00 178.44 177.19 3gka h ASP 189 N 0.02 0.18 -0.25 -0.43 3.58 -1.45 -2.23 116.42 115.85 3gka h ASP 189 Ca -0.01 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 3gka h ASP 189 Cb 1.09 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 3gka h ASP 189 CO 0.08 0.94 0.11 1.56 -2.88 0.00 0.00 179.24 179.06 3gka h GLN 190 N 0.08 0.36 -0.82 0.28 4.20 -0.68 -1.49 115.11 117.04 3gka h GLN 190 Ca -0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3gka h GLN 190 Cb 1.46 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 3gka h GLN 190 CO 0.12 0.38 0.44 0.74 -0.67 0.00 0.00 178.83 179.84 3gka h PHE 191 N 0.26 1.14 -0.44 2.96 0.04 -1.44 -3.09 116.94 116.38 3gka h PHE 191 Ca 0.08 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 3gka h PHE 191 Cb 0.14 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3gka h PHE 191 CO -0.02 0.80 0.03 1.25 -0.60 0.00 0.00 178.31 179.78 3gka h LEU 192 N 1.15 0.73 -9.60 1.54 5.85 -1.04 -3.43 115.31 110.51 3gka h LEU 192 Ca 0.29 -0.29 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 3gka h LEU 192 Cb 0.05 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 3gka h LEU 192 CO -0.04 0.84 -0.31 -1.10 -0.34 0.00 0.00 178.44 177.49 3gka s GLN 193 N -5.09 3.82 0.00 1.25 -0.21 -0.59 -4.71 119.66 114.12 3gka s GLN 193 Ca -0.13 0.20 0.30 0.00 0.02 0.00 0.00 55.36 55.75 3gka s GLN 193 Cb 0.11 -3.24 1.53 0.00 1.00 0.00 0.00 33.01 32.40 3gka s GLN 193 CO 0.80 0.65 2.05 -0.40 -2.12 0.00 0.00 175.29 176.27 3gka n ASP 194 N 2.15 0.04 0.10 5.90 5.75 -1.25 -2.15 116.55 127.10 3gka n ASP 194 Ca -0.15 -0.23 -0.03 0.00 -0.01 0.00 0.00 54.79 54.37 3gka n ASP 194 Cb 0.53 -0.25 0.19 0.00 -1.03 0.00 0.00 41.12 40.56 3gka n ASP 194 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gka h SER 195 N 0.04 0.21 0.02 -1.12 4.64 -1.81 -3.36 113.55 112.17 3gka h SER 195 Ca 0.00 -0.10 -0.37 0.00 -0.47 0.00 0.00 61.79 60.85 3gka h SER 195 Cb 0.27 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 3gka h SER 195 CO 0.00 0.67 -2.38 0.00 -0.87 0.00 0.00 176.83 174.25 3gka n ALA 196 N -2.47 1.47 -3.11 5.18 0.00 -1.02 -4.86 120.51 115.70 3gka n ALA 196 Ca -0.02 -1.24 -0.41 0.00 0.00 0.00 0.00 53.44 51.77 3gka n ALA 196 Cb 0.54 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 3gka n ALA 196 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gka s ASN 197 N -5.85 5.79 -0.26 0.00 3.84 -0.91 -3.98 114.94 113.57 3gka s ASN 197 Ca -0.17 -1.39 0.11 0.00 0.21 0.00 0.00 52.86 51.62 3gka s ASN 197 Cb 0.07 -2.05 0.52 0.00 -0.55 0.00 0.00 41.25 39.25 3gka s ASN 197 CO 0.76 -0.55 1.48 0.54 -2.79 0.00 0.00 177.10 176.54 3gka n ARG 198 N 5.01 2.25 -2.12 0.43 1.74 -1.26 -4.59 116.66 118.12 3gka n ARG 198 Ca -0.11 -3.05 -0.35 0.00 -0.77 0.00 0.00 57.85 53.58 3gka n ARG 198 Cb 0.43 -1.85 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3gka n ARG 198 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gka s ARG 199 N -3.10 3.19 -0.20 5.56 0.52 -1.26 -4.92 118.95 118.74 3gka s ARG 199 Ca 0.44 1.58 0.11 0.00 -0.52 0.00 0.00 55.73 57.35 3gka s ARG 199 Cb 0.39 -1.99 0.42 0.00 0.52 0.00 0.00 34.95 34.29 3gka s ARG 199 CO 0.04 -0.98 1.22 0.25 0.02 0.00 0.00 175.30 175.85 3gka n THR 200 N -1.59 2.15 -2.68 0.02 -2.24 -1.26 -2.33 114.28 106.35 3gka n THR 200 Ca 0.12 -3.18 0.00 0.00 -2.27 0.00 0.00 64.05 58.72 3gka n THR 200 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3gka n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gka n ASP 201 N -1.08 1.37 0.00 3.42 5.68 -1.26 -4.97 116.55 119.71 3gka n ASP 201 Ca 0.19 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.57 3gka n ASP 201 Cb 0.70 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.16 3gka n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gka n ALA 202 N -3.00 2.01 -0.65 2.12 0.00 -1.26 -2.13 120.51 117.60 3gka n ALA 202 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.43 3gka n ALA 202 Cb 0.00 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.38 3gka n ALA 202 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gka n TYR 203 N -1.32 0.93 -4.03 0.00 4.02 -1.26 -4.52 117.16 110.97 3gka n TYR 203 Ca 0.09 -0.70 -0.11 0.00 -0.01 0.00 0.00 57.90 57.17 3gka n TYR 203 Cb 0.17 -0.22 -0.05 0.00 -0.02 0.00 0.00 39.34 39.22 3gka n TYR 203 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3gka s GLY 204 N -1.39 0.88 0.00 2.72 0.00 -0.90 -4.19 107.32 104.43 3gka s GLY 204 Ca 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3gka s GLY 204 CO 0.14 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 173.06 3gka n GLY 205 N -0.43 1.31 3.72 0.20 0.00 -0.98 -4.45 105.19 104.55 3gka n GLY 205 Ca -0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3gka n GLY 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gka s SER 206 N -4.00 3.27 0.15 1.61 1.04 -1.26 -4.79 113.70 109.72 3gka s SER 206 Ca 0.00 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 57.60 3gka s SER 206 Cb 0.00 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.19 3gka s SER 206 CO 0.00 -2.74 1.65 0.40 0.98 0.00 0.00 173.24 173.53 3gka h ILE 207 N -1.62 1.25 -0.47 -1.02 2.04 -1.96 0.67 117.51 116.40 3gka h ILE 207 Ca -0.51 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 64.45 3gka h ILE 207 Cb 1.30 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3gka h ILE 207 CO 0.57 0.33 0.27 -0.08 0.00 0.00 0.00 178.15 179.25 3gka h GLU 208 N 0.74 0.53 -0.60 2.37 4.81 -1.98 -0.03 114.58 120.43 3gka h GLU 208 Ca 0.16 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3gka h GLU 208 Cb 0.38 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3gka h GLU 208 CO 0.01 0.35 0.14 -0.91 -0.73 0.00 0.00 179.01 177.87 3gka h ASN 209 N 0.55 0.91 0.16 1.04 2.35 -1.72 -1.82 115.58 117.05 3gka h ASN 209 Ca 0.19 -0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3gka h ASN 209 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3gka h ASN 209 CO -0.09 0.91 -0.42 0.03 -1.65 0.00 0.00 177.43 176.20 3gka h ARG 210 N 0.86 0.33 0.00 0.81 3.08 -0.63 -2.74 114.38 116.10 3gka h ARG 210 Ca 0.19 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gka h ARG 210 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gka h ARG 210 CO 0.00 0.70 -0.04 0.00 -1.07 0.00 0.00 179.97 179.56 3gka n ALA 211 N -2.48 2.34 -0.26 0.04 0.00 -0.05 -3.26 120.51 116.85 3gka n ALA 211 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3gka n ALA 211 Cb 0.50 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.66 3gka n ALA 211 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3gka h ARG 212 N 0.00 0.55 0.27 0.00 2.43 -1.00 -1.69 114.38 114.94 3gka h ARG 212 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3gka h ARG 212 Cb 0.69 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3gka h ARG 212 CO 0.00 0.36 -0.13 1.25 -1.51 0.00 0.00 179.97 179.94 3gka h LEU 213 N 0.56 -0.31 -0.72 3.80 5.85 -1.77 0.11 115.31 122.83 3gka h LEU 213 Ca 0.39 -0.17 0.16 0.00 0.84 0.00 0.00 57.88 59.10 3gka h LEU 213 Cb 0.48 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 3gka h LEU 213 CO -0.32 0.01 0.09 0.25 -0.34 0.00 0.00 178.44 178.13 3gka h LEU 214 N -0.64 -0.15 -0.59 2.25 5.85 -1.77 0.22 115.31 120.48 3gka h LEU 214 Ca -0.04 0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 3gka h LEU 214 Cb 0.45 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3gka h LEU 214 CO 0.06 -0.10 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.29 3gka h LEU 215 N 0.18 0.05 -0.82 2.25 3.38 -1.17 -1.08 115.31 118.10 3gka h LEU 215 Ca 0.40 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 3gka h LEU 215 Cb 0.70 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3gka h LEU 215 CO -0.57 0.73 0.12 -0.33 0.09 0.00 0.00 178.44 178.48 3gka h GLU 216 N 0.03 1.00 -0.25 1.13 5.08 0.65 -0.53 114.58 121.68 3gka h GLU 216 Ca -0.01 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 3gka h GLU 216 Cb 1.24 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gka h GLU 216 CO 0.09 0.91 -0.22 0.28 -1.00 0.00 0.00 179.01 179.08 3gka h VAL 217 N 0.95 1.31 -0.93 3.13 2.07 -0.81 -1.47 116.25 120.50 3gka h VAL 217 Ca 0.19 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3gka h VAL 217 Cb 0.39 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3gka h VAL 217 CO 0.01 0.43 0.61 0.58 0.02 0.00 0.00 177.57 179.21 3gka h VAL 218 N 0.30 1.19 -0.38 2.57 2.07 -1.13 -1.08 116.25 119.79 3gka h VAL 218 Ca 0.04 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3gka h VAL 218 Cb 0.76 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3gka h VAL 218 CO 0.06 0.22 -0.14 0.44 0.02 0.00 0.00 177.57 178.17 3gka h ASP 219 N 1.20 0.68 -0.55 0.57 3.32 -1.00 0.16 116.42 120.80 3gka h ASP 219 Ca 0.36 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3gka h ASP 219 Cb -0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3gka h ASP 219 CO -0.10 0.84 0.23 0.00 -1.72 0.00 0.00 179.24 178.49 3gka h ALA 220 N 1.22 0.71 -0.47 3.45 0.00 -0.87 -1.48 119.26 121.83 3gka h ALA 220 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gka h ALA 220 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gka h ALA 220 CO 0.04 0.31 0.17 0.00 0.00 0.00 0.00 179.25 179.77 3gka h ALA 221 N 1.07 0.62 -0.64 0.00 0.00 -0.95 -2.84 119.26 116.52 3gka h ALA 221 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gka h ALA 221 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gka h ALA 221 CO -0.02 0.24 0.40 0.82 0.00 0.00 0.00 179.25 180.69 3gka h ILE 222 N 0.62 1.08 -0.03 0.00 2.04 -0.83 -0.16 117.51 120.24 3gka h ILE 222 Ca 0.16 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3gka h ILE 222 Cb 0.22 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3gka h ILE 222 CO -0.01 0.14 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 3gka h ASP 223 N 0.78 0.03 0.19 1.72 3.32 -1.07 0.65 116.42 122.06 3gka h ASP 223 Ca 0.26 -0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.97 3gka h ASP 223 Cb 0.02 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3gka h ASP 223 CO -0.10 0.06 -1.66 0.58 -1.72 0.00 0.00 179.24 176.39 3gka h VAL 224 N 0.04 1.01 0.00 -1.35 2.07 -1.17 -3.41 116.25 113.44 3gka h VAL 224 Ca 0.01 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3gka h VAL 224 Cb 0.05 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3gka h VAL 224 CO 0.00 0.84 -1.32 0.79 0.02 0.00 0.00 177.57 177.90 3gka n TRP 225 N -3.66 0.00 -0.62 1.57 7.02 -0.13 -5.03 117.44 116.59 3gka n TRP 225 Ca -0.23 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.26 3gka n TRP 225 Cb 1.06 -0.21 -0.01 0.00 -2.42 0.00 0.00 31.31 29.73 3gka n TRP 225 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3gka n SER 226 N -1.77 -3.35 0.27 -0.99 3.41 0.23 -4.37 113.62 107.04 3gka n SER 226 Ca -0.01 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3gka n SER 226 Cb 0.29 -1.51 0.74 0.00 -0.26 0.00 0.00 64.21 63.48 3gka n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gka h ALA 227 N -0.02 1.44 -0.00 7.33 0.00 -1.87 -2.58 119.26 123.56 3gka h ALA 227 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gka h ALA 227 Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gka h ALA 227 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3gka h ALA 228 N 1.91 1.12 0.00 0.00 0.00 -1.84 -1.62 119.26 118.83 3gka h ALA 228 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gka h ALA 228 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gka h ALA 228 CO 0.01 -0.00 -0.34 0.54 0.00 0.00 0.00 179.25 179.46 3gka n ARG 229 N -3.26 1.47 -4.91 0.00 5.12 -0.97 -3.97 116.66 110.14 3gka n ARG 229 Ca -0.03 -3.05 -0.32 0.00 -1.93 0.00 0.00 57.85 52.52 3gka n ARG 229 Cb 0.07 -1.56 -0.17 0.00 -1.16 0.00 0.00 32.46 29.64 3gka n ARG 229 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3gka s VAL 230 N -3.09 2.00 0.37 1.55 1.01 -0.89 -1.64 120.40 119.70 3gka s VAL 230 Ca 0.36 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3gka s VAL 230 Cb 0.34 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 3gka s VAL 230 CO -0.04 0.54 0.03 -0.83 0.00 0.00 0.00 175.10 174.80 3gka s GLY 231 N 0.60 2.23 -0.01 4.51 0.00 0.16 -0.40 107.32 114.41 3gka s GLY 231 Ca -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 44.72 42.53 3gka s GLY 231 CO 0.03 -1.96 -0.05 0.14 0.00 0.00 0.00 173.10 171.26 3gka s VAL 232 N -2.59 0.38 -0.21 1.40 1.01 -1.04 -1.00 120.40 118.35 3gka s VAL 232 Ca 0.36 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3gka s VAL 232 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3gka s VAL 232 CO 0.19 0.11 0.05 -2.28 0.00 0.00 0.00 175.10 173.18 3gka s HIS 233 N -0.01 3.13 0.09 5.22 2.46 0.38 -1.17 115.29 125.39 3gka s HIS 233 Ca 0.01 -0.24 0.05 0.00 0.47 0.00 0.00 55.06 55.35 3gka s HIS 233 Cb -0.03 -2.14 -0.03 0.00 -0.13 0.00 0.00 32.58 30.25 3gka s HIS 233 CO -0.00 -0.14 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.48 3gka s LEU 234 N 1.00 2.34 -0.47 8.88 1.43 0.10 -1.36 118.68 130.60 3gka s LEU 234 Ca 0.03 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3gka s LEU 234 Cb -0.14 -0.49 0.16 0.00 0.03 0.00 0.00 46.19 45.75 3gka s LEU 234 CO 0.03 -0.13 0.34 0.00 0.23 0.00 0.00 176.35 176.82 3gka s ALA 235 N -1.76 2.02 0.41 4.21 0.00 -1.26 -1.34 121.76 124.03 3gka s ALA 235 Ca 0.03 -2.72 0.12 0.00 0.00 0.00 0.00 51.96 49.39 3gka s ALA 235 Cb -0.07 -1.78 0.96 0.00 0.00 0.00 0.00 23.12 22.23 3gka s ALA 235 CO 0.02 -2.03 1.97 -1.35 0.00 0.00 0.00 175.76 174.37 3gka h PRO 236 N 5.94 0.48 0.00 0.00 0.11 -1.97 -2.63 132.00 133.93 3gka h PRO 236 Ca 0.17 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3gka h PRO 236 Cb 0.89 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3gka h PRO 236 CO 0.46 0.32 -0.19 0.00 -0.21 0.00 0.00 178.00 178.38 3gka h ARG 237 N 0.50 0.00 -5.75 1.05 3.08 -1.96 -3.47 114.38 107.82 3gka h ARG 237 Ca 0.29 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.98 3gka h ARG 237 Cb 0.48 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.68 3gka h ARG 237 CO -0.09 0.19 -0.75 0.41 -1.07 0.00 0.00 179.97 178.66 3gka n GLY 238 N -0.23 -0.40 1.01 0.04 0.00 -0.99 -4.81 105.19 99.81 3gka n GLY 238 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.23 3gka n GLY 238 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gka n ASP 239 N -3.09 3.99 -4.03 1.61 5.68 -1.26 -3.91 116.55 115.54 3gka n ASP 239 Ca -0.21 -2.78 -0.18 0.00 -0.50 0.00 0.00 54.79 51.12 3gka n ASP 239 Cb 0.64 -0.51 -0.14 0.00 -1.14 0.00 0.00 41.12 39.97 3gka n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gka s ALA 240 N -2.41 0.73 -1.40 2.12 0.00 -1.26 -4.89 121.76 114.65 3gka s ALA 240 Ca 0.41 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 3gka s ALA 240 Cb 0.31 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3gka s ALA 240 CO 0.12 0.16 1.01 0.72 0.00 0.00 0.00 175.76 177.77 3gka n HIS 241 N 2.68 -2.42 -3.54 0.00 8.25 -1.26 -3.32 115.22 115.60 3gka n HIS 241 Ca -0.14 0.94 -0.21 0.00 -0.26 0.00 0.00 57.72 58.04 3gka n HIS 241 Cb 0.57 -4.54 0.08 0.00 1.12 0.00 0.00 29.99 27.22 3gka n HIS 241 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3gka n THR 242 N -4.66 -4.06 -1.99 1.59 -1.04 -1.26 -4.80 114.28 98.06 3gka n THR 242 Ca -0.07 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.05 61.55 3gka n THR 242 Cb 0.58 -4.35 0.14 0.00 -1.82 0.00 0.00 70.33 64.88 3gka n THR 242 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3gka n MET 243 N -4.70 -0.70 0.00 -2.82 2.00 -1.21 -4.78 117.12 104.91 3gka n MET 243 Ca -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 57.70 55.79 3gka n MET 243 Cb 0.60 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.90 3gka n MET 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gka n GLY 244 N -1.69 3.97 3.07 3.03 0.00 -1.25 -4.82 105.19 107.50 3gka n GLY 244 Ca 0.13 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 3gka n GLY 244 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gka s ASP 245 N 0.00 1.39 0.32 1.61 2.15 -1.26 -2.30 116.67 118.58 3gka s ASP 245 Ca 0.00 -0.24 0.25 0.00 0.43 0.00 0.00 52.55 52.99 3gka s ASP 245 Cb 0.00 -0.14 1.14 0.00 -0.30 0.00 0.00 42.92 43.62 3gka s ASP 245 CO 0.00 0.12 1.76 0.77 -0.17 0.00 0.00 175.17 177.65 3gka h SER 246 N 5.73 0.00 -1.41 -0.34 4.64 -1.99 -3.34 113.55 116.84 3gka h SER 246 Ca -0.33 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.72 3gka h SER 246 Cb 1.17 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 3gka h SER 246 CO 0.48 0.00 -0.62 -0.62 -0.87 0.00 0.00 176.83 175.20 3gka s ASP 247 N -4.38 -0.56 0.19 4.97 -1.08 -1.26 -5.05 116.67 109.50 3gka s ASP 247 Ca 0.02 -2.00 -0.12 0.00 -0.52 0.00 0.00 52.55 49.92 3gka s ASP 247 Cb 0.09 1.22 0.17 0.00 -1.46 0.00 0.00 42.92 42.94 3gka s ASP 247 CO 0.36 -0.10 1.78 -0.65 0.52 0.00 0.00 175.17 177.07 3gka h PRO 248 N 5.43 0.49 -0.94 4.34 0.11 -1.92 -0.97 132.00 138.54 3gka h PRO 248 Ca 0.11 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.20 3gka h PRO 248 Cb 1.06 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 3gka h PRO 248 CO 0.12 0.32 0.62 0.00 -0.21 0.00 0.00 178.00 178.85 3gka h ALA 249 N 1.30 1.31 -0.21 -0.75 0.00 -1.95 0.90 119.26 119.87 3gka h ALA 249 Ca 0.24 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3gka h ALA 249 Cb 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gka h ALA 249 CO -0.18 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 3gka h ALA 250 N 1.40 0.33 0.24 0.00 0.00 -1.88 -0.30 119.26 119.04 3gka h ALA 250 Ca 0.34 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gka h ALA 250 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gka h ALA 250 CO -0.07 0.43 -0.11 1.15 0.00 0.00 0.00 179.25 180.64 3gka h THR 251 N 0.33 0.80 0.00 0.00 2.02 -0.80 -2.41 112.91 112.85 3gka h THR 251 Ca 0.01 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 3gka h THR 251 Cb 1.00 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3gka h THR 251 CO 0.09 0.15 -0.42 -0.26 0.37 0.00 0.00 175.52 175.45 3gka h PHE 252 N -0.74 0.00 -0.32 3.16 0.04 -0.95 -2.81 116.94 115.32 3gka h PHE 252 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3gka h PHE 252 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3gka h PHE 252 CO 0.04 0.42 0.21 0.78 -0.60 0.00 0.00 178.31 179.16 3gka h GLY 253 N 2.70 0.45 1.20 -1.45 0.00 -1.06 -0.58 103.07 104.33 3gka h GLY 253 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3gka h GLY 253 CO 0.05 0.16 0.06 0.84 0.00 0.00 0.00 176.54 177.65 3gka h HIS 254 N 0.43 1.04 -0.21 5.60 -0.00 -1.27 -1.26 115.15 119.47 3gka h HIS 254 Ca 0.12 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 3gka h HIS 254 Cb -0.04 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 3gka h HIS 254 CO -0.06 0.90 0.07 0.28 -0.00 0.00 0.00 177.93 179.13 3gka h VAL 255 N 0.91 1.18 -0.82 5.26 2.07 -1.30 -2.22 116.25 121.33 3gka h VAL 255 Ca 0.18 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3gka h VAL 255 Cb 0.45 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3gka h VAL 255 CO 0.02 0.18 0.47 0.00 0.02 0.00 0.00 177.57 178.25 3gka h ALA 256 N 0.91 1.05 -0.64 1.67 0.00 -0.87 0.74 119.26 122.11 3gka h ALA 256 Ca 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3gka h ALA 256 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gka h ALA 256 CO -0.00 0.54 0.23 0.00 0.00 0.00 0.00 179.25 180.01 3gka h ARG 257 N 1.14 0.98 -0.50 0.00 3.08 -1.19 -0.74 114.38 117.15 3gka h ARG 257 Ca 0.29 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 3gka h ARG 257 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3gka h ARG 257 CO -0.05 0.85 -0.13 0.93 -1.07 0.00 0.00 179.97 180.50 3gka h GLU 258 N 0.92 0.98 -0.31 0.04 4.39 -0.87 -1.12 114.58 118.60 3gka h GLU 258 Ca 0.21 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 3gka h GLU 258 Cb 0.26 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3gka h GLU 258 CO -0.01 1.05 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.62 3gka h LEU 259 N 0.84 0.57 -0.45 1.33 3.38 -0.74 -2.97 115.31 117.26 3gka h LEU 259 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3gka h LEU 259 Cb 0.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3gka h LEU 259 CO 0.05 0.77 0.14 1.23 0.09 0.00 0.00 178.44 180.72 3gka h GLY 260 N 0.99 0.75 0.42 0.83 0.00 -0.90 -2.59 103.07 102.58 3gka h GLY 260 Ca 0.08 -0.45 0.15 0.00 0.00 0.00 0.00 47.33 47.12 3gka h GLY 260 CO 0.04 0.42 0.60 3.21 0.00 0.00 0.00 176.54 180.81 3gka h ARG 261 N 0.59 0.71 -0.00 4.80 3.08 -1.11 -1.19 114.38 121.26 3gka h ARG 261 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3gka h ARG 261 Cb 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3gka h ARG 261 CO -0.00 0.47 -0.02 0.54 -1.07 0.00 0.00 179.97 179.88 3gka n ARG 262 N -4.60 0.29 -3.61 0.04 1.74 -1.00 -4.93 116.66 104.59 3gka n ARG 262 Ca 0.19 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 57.03 3gka n ARG 262 Cb 0.49 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.50 3gka n ARG 262 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gka n ARG 263 N -1.34 -6.79 -1.19 5.56 5.12 -0.45 -4.79 116.66 112.79 3gka n ARG 263 Ca 0.12 0.77 -0.29 0.00 -1.93 0.00 0.00 57.85 56.52 3gka n ARG 263 Cb 0.28 -5.73 0.16 0.00 -1.16 0.00 0.00 32.46 26.01 3gka n ARG 263 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3gka s ILE 264 N -3.38 2.34 0.15 0.55 -4.36 -1.20 -4.32 121.20 110.98 3gka s ILE 264 Ca 0.34 0.11 -0.16 0.00 -0.26 0.00 0.00 60.65 60.68 3gka s ILE 264 Cb -0.16 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 40.96 3gka s ILE 264 CO 0.76 -0.15 1.81 0.00 0.24 0.00 0.00 174.94 177.60 3gka h ALA 265 N -1.73 0.51 -2.28 2.27 0.00 0.22 -3.46 119.26 114.79 3gka h ALA 265 Ca -0.52 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.48 3gka h ALA 265 Cb 1.31 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3gka h ALA 265 CO 0.56 -0.03 0.50 -0.59 0.00 0.00 0.00 179.25 179.69 3gka s PHE 266 N -6.14 -0.32 -0.15 0.00 -0.12 -1.25 -4.17 117.98 105.84 3gka s PHE 266 Ca -0.13 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 3gka s PHE 266 Cb 0.11 0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 43.04 3gka s PHE 266 CO 0.72 -0.57 -0.15 -1.17 -0.05 0.00 0.00 175.22 174.00 3gka s LEU 267 N -2.53 2.51 -0.23 -1.99 2.96 -0.61 -2.50 118.68 116.29 3gka s LEU 267 Ca 0.06 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3gka s LEU 267 Cb -0.01 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3gka s LEU 267 CO -0.08 0.11 0.05 0.12 -1.32 0.00 0.00 176.35 175.23 3gka s PHE 268 N 0.68 3.08 -0.27 5.38 5.99 -0.31 -0.53 117.98 132.00 3gka s PHE 268 Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 56.93 56.42 3gka s PHE 268 Cb -0.16 -2.18 0.03 0.00 0.00 0.00 0.00 43.02 40.72 3gka s PHE 268 CO 0.02 -0.30 -0.03 0.00 -0.00 0.00 0.00 175.22 174.91 3gka s ALA 269 N 1.35 2.77 -0.52 11.12 0.00 -0.28 -0.72 121.76 135.48 3gka s ALA 269 Ca 0.05 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 3gka s ALA 269 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3gka s ALA 269 CO 0.03 -0.95 1.36 0.50 0.00 0.00 0.00 175.76 176.69 3gka s ARG 270 N 1.32 3.44 -0.30 0.00 3.52 -0.45 -2.98 118.95 123.51 3gka s ARG 270 Ca -0.01 0.55 -0.05 0.00 -0.13 0.00 0.00 55.73 56.09 3gka s ARG 270 Cb -0.18 -4.06 0.19 0.00 -1.56 0.00 0.00 34.95 29.34 3gka s ARG 270 CO -0.03 -1.76 0.86 -2.00 -0.81 0.00 0.00 175.30 171.56 3gka s GLU 271 N 5.19 0.33 0.50 5.12 2.12 -0.80 -3.99 118.70 127.17 3gka s GLU 271 Ca 0.53 0.41 -0.24 0.00 0.36 0.00 0.00 54.97 56.03 3gka s GLU 271 Cb -0.11 0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.43 3gka s GLU 271 CO 0.28 -0.53 1.41 -1.54 -0.54 0.00 0.00 175.26 174.33 3gka s SER 272 N 2.91 5.56 0.58 -1.70 1.04 -1.23 -4.56 113.70 116.29 3gka s SER 272 Ca 0.16 2.87 -0.18 0.00 0.48 0.00 0.00 55.95 59.28 3gka s SER 272 Cb -0.08 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 3gka s SER 272 CO -0.21 -1.39 1.10 -0.36 0.98 0.00 0.00 173.24 173.36 3gka s PHE 273 N -1.24 2.75 0.00 5.02 0.40 -1.26 -4.77 117.98 118.87 3gka s PHE 273 Ca 0.66 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.54 3gka s PHE 273 Cb -0.43 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 39.92 3gka s PHE 273 CO 0.53 -1.43 0.00 0.41 0.70 0.00 0.00 175.22 175.42 3gka n GLY 274 N -0.27 1.41 0.38 4.36 0.00 -1.26 -4.99 105.19 104.82 3gka n GLY 274 Ca 0.10 -1.25 0.20 0.00 0.00 0.00 0.00 46.02 45.08 3gka n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gka h GLY 275 N 0.00 0.00 -2.74 -0.02 0.00 -2.06 -1.55 103.07 96.70 3gka h GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gka h GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3gka n ASP 276 N -3.73 4.53 -4.73 0.19 5.75 -1.26 -4.98 116.55 112.32 3gka n ASP 276 Ca 0.07 -2.48 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 3gka n ASP 276 Cb 0.59 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 3gka n ASP 276 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gka s ALA 277 N -1.90 3.37 -0.98 2.12 0.00 -0.59 -4.94 121.76 118.84 3gka s ALA 277 Ca 0.48 0.82 0.11 0.00 0.00 0.00 0.00 51.96 53.37 3gka s ALA 277 Cb 0.31 -3.37 0.33 0.00 0.00 0.00 0.00 23.12 20.39 3gka s ALA 277 CO 0.22 -0.25 1.27 0.44 0.00 0.00 0.00 175.76 177.44 3gka n ILE 278 N 2.63 1.01 -0.34 0.00 -5.35 -1.26 -4.76 119.36 111.29 3gka n ILE 278 Ca 0.04 -1.01 0.07 0.00 -0.27 0.00 0.00 62.75 61.58 3gka n ILE 278 Cb 0.46 0.49 0.26 0.00 -1.74 0.00 0.00 39.64 39.12 3gka n ILE 278 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3gka h GLY 279 N 2.15 1.50 1.34 3.28 0.00 -1.95 -1.85 103.07 107.54 3gka h GLY 279 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 3gka h GLY 279 CO 0.00 0.18 -0.14 1.46 0.00 0.00 0.00 176.54 178.04 3gka h GLN 280 N 0.95 0.78 -0.15 4.80 1.08 -1.90 0.24 115.11 120.91 3gka h GLN 280 Ca 0.47 -0.27 0.03 0.00 -1.45 0.00 0.00 58.65 57.43 3gka h GLN 280 Cb 0.47 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 3gka h GLN 280 CO -0.23 0.88 -0.04 1.96 -0.95 0.00 0.00 178.83 180.45 3gka h GLN 281 N 0.70 -0.00 -0.70 1.46 4.20 -1.72 -1.23 115.11 117.82 3gka h GLN 281 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3gka h GLN 281 Cb 0.62 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3gka h GLN 281 CO 0.04 -0.00 0.38 -0.07 -0.67 0.00 0.00 178.83 178.51 3gka h LEU 282 N -0.00 0.87 -0.58 1.46 3.38 -0.96 -0.88 115.31 118.60 3gka h LEU 282 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gka h LEU 282 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3gka h LEU 282 CO -0.15 0.71 0.38 0.50 0.09 0.00 0.00 178.44 179.97 3gka h LYS 283 N 0.96 0.76 -0.36 1.13 3.64 -0.41 0.14 116.57 122.43 3gka h LYS 283 Ca 0.25 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3gka h LYS 283 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3gka h LYS 283 CO -0.04 0.51 0.09 0.00 -2.27 0.00 0.00 179.45 177.74 3gka h ALA 284 N 1.21 0.47 -0.73 5.00 0.00 -0.88 0.24 119.26 124.57 3gka h ALA 284 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gka h ALA 284 Cb -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3gka h ALA 284 CO -0.05 0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.76 3gka h ALA 285 N 0.93 1.35 0.03 0.00 0.00 -0.78 -3.20 119.26 117.59 3gka h ALA 285 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gka h ALA 285 Cb 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gka h ALA 285 CO 0.00 0.54 -0.20 0.35 0.00 0.00 0.00 179.25 179.94 3gka h PHE 286 N 1.02 0.15 0.00 0.00 3.57 -0.63 -3.31 116.94 117.74 3gka h PHE 286 Ca 0.26 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3gka h PHE 286 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3gka h PHE 286 CO 0.01 1.01 0.00 0.41 -2.23 0.00 0.00 178.31 177.51 3gka n GLY 287 N 1.42 1.13 0.00 2.40 0.00 0.06 -4.28 105.19 105.92 3gka n GLY 287 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3gka n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gka n GLY 288 N -2.00 3.83 3.68 -0.02 0.00 -1.26 -5.07 105.19 104.35 3gka n GLY 288 Ca 0.00 -2.16 -0.46 0.00 0.00 0.00 0.00 46.02 43.40 3gka n GLY 288 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gka n PRO 289 N -0.28 2.30 -4.04 1.61 -0.02 -1.26 -4.89 135.00 128.43 3gka n PRO 289 Ca 0.00 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 3gka n PRO 289 Cb 0.00 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 30.68 3gka n PRO 289 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gka s PHE 290 N 1.91 2.90 -0.24 6.00 5.36 -1.26 -1.57 117.98 131.08 3gka s PHE 290 Ca 0.82 -1.50 -0.08 0.00 -0.96 0.00 0.00 56.93 55.20 3gka s PHE 290 Cb -0.64 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 3gka s PHE 290 CO 0.40 -0.74 0.10 0.42 -1.46 0.00 0.00 175.22 173.94 3gka s ILE 291 N 1.33 4.69 0.34 3.12 1.01 0.31 -1.33 121.20 130.67 3gka s ILE 291 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.70 3gka s ILE 291 Cb -0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3gka s ILE 291 CO -0.09 0.35 0.44 0.68 0.00 0.00 0.00 174.94 176.33 3gka s VAL 292 N 1.27 3.82 -0.23 2.92 -7.23 -0.83 -1.12 120.40 119.00 3gka s VAL 292 Ca 0.05 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 3gka s VAL 292 Cb -0.14 -3.31 0.16 0.00 0.56 0.00 0.00 36.38 33.65 3gka s VAL 292 CO 0.04 -0.14 1.21 0.21 -0.31 0.00 0.00 175.10 176.11 3gka s ASN 293 N -4.15 -0.17 0.00 4.85 3.84 -1.16 -0.65 114.94 117.50 3gka s ASN 293 Ca 0.45 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.70 3gka s ASN 293 Cb -0.09 0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.76 3gka s ASN 293 CO 0.30 -0.17 0.00 1.21 -2.79 0.00 0.00 177.10 175.66 3gka n GLU 294 N 0.57 0.00 -1.31 0.43 2.13 -1.26 -1.90 120.64 119.30 3gka n GLU 294 Ca -0.04 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 3gka n GLU 294 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.25 3gka n GLU 294 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gka n ASN 295 N 0.00 -5.02 -4.77 4.31 3.02 -1.26 -4.21 115.26 107.34 3gka n ASN 295 Ca 0.00 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.42 3gka n ASN 295 Cb 0.00 -3.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 3gka n ASN 295 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gka s PHE 296 N -2.15 3.29 0.45 3.10 0.40 -1.26 -5.04 117.98 116.77 3gka s PHE 296 Ca 0.00 1.60 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 3gka s PHE 296 Cb 0.00 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.14 3gka s PHE 296 CO 0.00 -1.04 0.32 0.95 0.70 0.00 0.00 175.22 176.15 3gka s THR 297 N -1.29 2.23 0.13 0.64 -4.23 -1.26 -4.95 115.64 106.91 3gka s THR 297 Ca 0.51 -1.51 -0.19 0.00 -1.18 0.00 0.00 61.69 59.31 3gka s THR 297 Cb -0.32 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 3gka s THR 297 CO 0.41 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.45 3gka h LEU 298 N 1.08 -0.13 -0.23 4.79 5.85 -1.99 0.81 115.31 125.49 3gka h LEU 298 Ca -0.40 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3gka h LEU 298 Cb 1.27 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3gka h LEU 298 CO 0.62 -0.04 0.14 -0.78 -0.34 0.00 0.00 178.44 178.04 3gka h ASP 299 N 0.04 0.27 0.04 1.25 3.58 -1.98 -1.90 116.42 117.72 3gka h ASP 299 Ca 0.11 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 3gka h ASP 299 Cb 0.15 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3gka h ASP 299 CO -0.20 0.24 -0.43 0.77 -2.88 0.00 0.00 179.24 176.74 3gka h SER 300 N 0.29 0.51 -0.46 2.28 4.64 -1.92 0.23 113.55 119.13 3gka h SER 300 Ca 0.08 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3gka h SER 300 Cb 0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3gka h SER 300 CO -0.02 0.88 0.17 0.00 -0.87 0.00 0.00 176.83 176.99 3gka h ALA 301 N 1.14 0.60 -0.14 5.18 0.00 -0.75 -1.09 119.26 124.20 3gka h ALA 301 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3gka h ALA 301 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gka h ALA 301 CO 0.08 0.22 -0.31 0.37 0.00 0.00 0.00 179.25 179.61 3gka h GLN 302 N 0.60 0.28 -0.44 0.00 5.75 -1.17 -2.52 115.11 117.62 3gka h GLN 302 Ca 0.15 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3gka h GLN 302 Cb 0.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3gka h GLN 302 CO -0.01 0.57 0.17 0.00 -2.65 0.00 0.00 178.83 176.92 3gka h ALA 303 N 1.43 0.57 -0.35 3.38 0.00 -0.68 -1.90 119.26 121.71 3gka h ALA 303 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3gka h ALA 303 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gka h ALA 303 CO 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.45 3gka h ALA 304 N 1.02 1.31 -0.16 0.00 0.00 -0.95 -1.70 119.26 118.79 3gka h ALA 304 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3gka h ALA 304 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gka h ALA 304 CO -0.01 0.47 -0.13 -0.07 0.00 0.00 0.00 179.25 179.50 3gka h LEU 305 N 0.53 0.38 -1.74 0.00 4.07 -1.38 0.04 115.31 117.22 3gka h LEU 305 Ca 0.11 -0.46 0.09 0.00 0.08 0.00 0.00 57.88 57.70 3gka h LEU 305 Cb 0.37 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 3gka h LEU 305 CO 0.01 0.77 0.34 0.44 -1.08 0.00 0.00 178.44 178.93 3gka h ASP 306 N 0.01 0.27 -0.06 -0.43 3.32 -1.06 -1.61 116.42 116.86 3gka h ASP 306 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gka h ASP 306 Cb 0.65 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3gka h ASP 306 CO 0.03 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 3gka n ALA 307 N -2.54 2.56 -2.28 3.45 0.00 -0.67 -4.94 120.51 116.09 3gka n ALA 307 Ca 0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 3gka n ALA 307 Cb 0.35 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3gka n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gka n GLY 308 N 1.17 -0.22 0.21 0.00 0.00 -0.61 -4.90 105.19 100.83 3gka n GLY 308 Ca 0.18 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3gka n GLY 308 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gka n GLN 309 N -2.57 0.61 -3.53 1.61 6.02 -0.01 -4.95 117.38 114.56 3gka n GLN 309 Ca -0.19 -0.42 -0.13 0.00 -0.01 0.00 0.00 57.00 56.25 3gka n GLN 309 Cb 0.64 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 3gka n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gka s ALA 310 N -2.68 -1.82 -0.19 -1.58 0.00 -1.15 -4.89 121.76 109.44 3gka s ALA 310 Ca 0.18 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.58 3gka s ALA 310 Cb 0.18 -0.09 -0.24 0.00 0.00 0.00 0.00 23.12 22.97 3gka s ALA 310 CO 0.62 -0.45 0.06 -0.25 0.00 0.00 0.00 175.76 175.74 3gka n ASP 311 N 0.48 0.26 -3.92 0.00 8.00 -0.44 -4.37 116.55 116.54 3gka n ASP 311 Ca -0.13 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 3gka n ASP 311 Cb 0.59 0.96 -0.06 0.00 -0.02 0.00 0.00 41.12 42.59 3gka n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gka s ALA 312 N -2.47 -0.21 -0.04 2.24 0.00 -1.16 -4.89 121.76 115.24 3gka s ALA 312 Ca -0.10 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3gka s ALA 312 Cb 0.06 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 3gka s ALA 312 CO 0.79 -0.71 -0.15 0.08 0.00 0.00 0.00 175.76 175.77 3gka s VAL 313 N -3.96 1.22 -0.09 0.00 1.01 -0.59 -1.96 120.40 116.03 3gka s VAL 313 Ca 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3gka s VAL 313 Cb 0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3gka s VAL 313 CO 0.01 0.36 0.02 0.00 0.00 0.00 0.00 175.10 175.49 3gka s ALA 314 N 0.07 3.35 -0.05 5.51 0.00 0.18 -1.14 121.76 129.68 3gka s ALA 314 Ca -0.03 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3gka s ALA 314 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 3gka s ALA 314 CO 0.02 0.58 -0.17 -1.58 0.00 0.00 0.00 175.76 174.61 3gka s TRP 315 N -0.88 2.63 0.00 0.00 0.51 -0.42 -4.25 118.94 116.53 3gka s TRP 315 Ca 0.13 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.82 3gka s TRP 315 Cb -0.11 -1.63 0.00 0.00 -0.81 0.00 0.00 33.47 30.92 3gka s TRP 315 CO 0.02 0.08 0.00 0.41 -0.51 0.00 0.00 176.95 176.95 3gka n GLY 316 N 2.50 -0.37 0.35 0.98 0.00 -1.26 -1.13 105.19 106.26 3gka n GLY 316 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 3gka n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gka h LYS 317 N 0.00 0.93 0.00 1.61 1.57 -1.97 -1.26 116.57 117.45 3gka h LYS 317 Ca 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3gka h LYS 317 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3gka h LYS 317 CO 0.00 0.62 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.21 3gka h LEU 318 N 0.96 0.00 -0.32 2.94 3.38 -1.96 -2.71 115.31 117.60 3gka h LEU 318 Ca 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3gka h LEU 318 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3gka h LEU 318 CO -0.06 0.22 -0.55 -0.26 0.09 0.00 0.00 178.44 177.87 3gka h PHE 319 N 0.00 0.00 -0.21 1.13 -1.00 -1.46 -0.99 116.94 114.41 3gka h PHE 319 Ca -0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 3gka h PHE 319 Cb 0.39 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3gka h PHE 319 CO 0.00 0.55 0.01 0.82 -1.61 0.00 0.00 178.31 178.09 3gka h ILE 320 N 0.00 0.87 0.00 -0.55 2.04 -1.14 -3.26 117.51 115.47 3gka h ILE 320 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3gka h ILE 320 Cb 1.29 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3gka h ILE 320 CO 0.07 0.02 -0.75 0.00 0.00 0.00 0.00 178.15 177.48 3gka h ALA 321 N 1.17 0.54 -3.06 1.87 0.00 -1.45 -3.43 119.26 114.89 3gka h ALA 321 Ca 0.10 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.42 3gka h ALA 321 Cb 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.50 3gka h ALA 321 CO -0.15 0.00 -0.76 -0.80 0.00 0.00 0.00 179.25 177.54 3gka s ASN 322 N -4.50 3.87 0.33 0.00 0.01 -0.38 -4.59 114.94 109.67 3gka s ASN 322 Ca 0.04 -1.78 0.03 0.00 -0.71 0.00 0.00 52.86 50.44 3gka s ASN 322 Cb 0.12 -0.81 0.56 0.00 0.41 0.00 0.00 41.25 41.53 3gka s ASN 322 CO 0.75 -0.39 1.88 1.55 -1.51 0.00 0.00 177.10 179.38 3gka h PRO 323 N 7.87 0.64 -1.43 -0.60 0.13 -1.84 -2.73 132.00 134.03 3gka h PRO 323 Ca -0.11 -0.12 -0.72 0.00 -0.87 0.00 0.00 66.00 64.18 3gka h PRO 323 Cb 1.00 -0.10 -0.28 0.00 0.13 0.00 0.00 31.00 31.75 3gka h PRO 323 CO 0.46 0.60 0.96 -0.40 -0.23 0.00 0.00 178.00 179.38 3gka n ASP 324 N -4.30 7.63 -0.21 1.44 5.75 -1.26 -4.16 116.55 121.44 3gka n ASP 324 Ca 0.03 -3.81 0.01 0.00 -0.01 0.00 0.00 54.79 51.01 3gka n ASP 324 Cb 0.21 -1.02 0.12 0.00 -1.03 0.00 0.00 41.12 39.41 3gka n ASP 324 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3gka h LEU 325 N 2.44 0.16 -0.36 -2.12 5.85 -1.83 -1.71 115.31 117.73 3gka h LEU 325 Ca 0.59 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.46 3gka h LEU 325 Cb 0.47 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3gka h LEU 325 CO 1.53 0.09 0.09 -0.65 -0.34 0.00 0.00 178.44 179.15 3gka h PRO 326 N 0.36 0.22 -0.68 5.25 0.11 -1.89 0.19 132.00 135.56 3gka h PRO 326 Ca 0.33 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 3gka h PRO 326 Cb 0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 3gka h PRO 326 CO -0.36 0.15 0.13 -0.09 -0.21 0.00 0.00 178.00 177.62 3gka h ARG 327 N 0.23 1.12 -0.80 1.05 2.43 -1.86 -0.42 114.38 116.13 3gka h ARG 327 Ca 0.17 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3gka h ARG 327 Cb 0.18 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3gka h ARG 327 CO -0.20 1.01 0.51 0.00 -1.51 0.00 0.00 179.97 179.77 3gka h ARG 328 N 1.05 1.07 -0.24 0.20 3.08 -0.83 -1.04 114.38 117.67 3gka h ARG 328 Ca 0.21 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3gka h ARG 328 Cb 0.42 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3gka h ARG 328 CO 0.01 0.73 -0.06 0.74 -1.07 0.00 0.00 179.97 180.32 3gka h PHE 329 N 1.09 0.52 -0.84 3.04 0.04 -0.58 0.30 116.94 120.51 3gka h PHE 329 Ca 0.29 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 61.01 3gka h PHE 329 Cb -0.09 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 37.88 3gka h PHE 329 CO 0.00 0.69 0.52 -0.22 -0.60 0.00 0.00 178.31 178.70 3gka h LYS 330 N 0.21 0.93 -0.21 1.51 1.63 -0.64 -2.30 116.57 117.70 3gka h LYS 330 Ca 0.06 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3gka h LYS 330 Cb 0.52 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3gka h LYS 330 CO 0.02 0.61 0.00 1.28 -3.45 0.00 0.00 179.45 177.92 3gka n LEU 331 N -4.63 1.78 -3.98 5.20 4.77 -0.43 -4.93 117.00 114.78 3gka n LEU 331 Ca 0.12 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 55.06 3gka n LEU 331 Cb 0.17 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3gka n LEU 331 CO 0.31 0.39 -0.17 0.59 -1.33 0.00 0.00 177.39 177.18 3gka n ASN 332 N 0.41 -1.14 -4.90 -1.43 3.02 -0.87 -4.95 115.26 105.40 3gka n ASN 332 Ca 0.16 -0.98 -0.29 0.00 -0.03 0.00 0.00 54.58 53.44 3gka n ASN 332 Cb 0.34 -3.11 0.07 0.00 -0.61 0.00 0.00 39.78 36.46 3gka n ASN 332 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gka s ALA 333 N -3.79 2.82 0.72 5.41 0.00 0.10 -5.03 121.76 121.99 3gka s ALA 333 Ca 0.17 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 3gka s ALA 333 Cb -0.09 -2.92 0.04 0.00 0.00 0.00 0.00 23.12 20.15 3gka s ALA 333 CO 0.89 -1.41 1.18 -2.14 0.00 0.00 0.00 175.76 174.28 3gka s PRO 334 N -5.44 2.23 -0.05 0.00 0.02 -1.26 -4.88 135.00 125.61 3gka s PRO 334 Ca 0.60 1.68 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3gka s PRO 334 Cb -0.11 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 3gka s PRO 334 CO 0.49 -1.75 -0.22 -0.51 -0.33 0.00 0.00 177.00 174.68 3gka s LEU 335 N -5.15 2.26 0.52 -5.54 1.43 -1.26 -5.00 118.68 105.94 3gka s LEU 335 Ca 0.72 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 3gka s LEU 335 Cb -0.27 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 3gka s LEU 335 CO 0.45 0.28 1.33 0.20 0.23 0.00 0.00 176.35 178.84 3gka s ASN 336 N -0.35 5.52 -0.07 2.29 0.01 -1.26 -5.00 114.94 116.07 3gka s ASN 336 Ca 0.02 2.70 -0.22 0.00 -0.71 0.00 0.00 52.86 54.65 3gka s ASN 336 Cb -0.12 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 3gka s ASN 336 CO 0.02 -1.40 0.65 -0.70 -1.51 0.00 0.00 177.10 174.16 3gka s GLU 337 N -2.80 4.41 0.23 -0.60 2.56 -1.26 -4.80 118.70 116.43 3gka s GLU 337 Ca 0.69 0.79 -0.30 0.00 0.00 0.00 0.00 54.97 56.14 3gka s GLU 337 Cb -0.39 -3.44 -0.10 0.00 2.00 0.00 0.00 34.13 32.21 3gka s GLU 337 CO 0.46 0.10 1.47 -2.14 -0.56 0.00 0.00 175.26 174.60 3gka s PRO 338 N 0.69 4.25 -0.76 4.30 0.02 -1.26 -4.92 135.00 137.32 3gka s PRO 338 Ca 0.35 2.31 -0.15 0.00 0.02 0.00 0.00 61.00 63.53 3gka s PRO 338 Cb -0.17 -3.12 0.18 0.00 0.02 0.00 0.00 34.50 31.41 3gka s PRO 338 CO 0.17 -0.47 0.74 1.21 -0.33 0.00 0.00 177.00 178.31 3gka s ASN 339 N 0.58 6.59 0.40 2.53 2.47 -1.26 -4.95 114.94 121.30 3gka s ASN 339 Ca 0.62 -2.35 0.17 0.00 0.42 0.00 0.00 52.86 51.72 3gka s ASN 339 Cb -0.42 -2.23 1.05 0.00 -1.45 0.00 0.00 41.25 38.20 3gka s ASN 339 CO 0.40 -0.72 1.82 0.00 -3.72 0.00 0.00 177.10 174.89 3gka h ALA 340 N 8.22 2.16 0.00 1.71 0.00 -2.01 -1.24 119.26 128.10 3gka h ALA 340 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gka h ALA 340 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gka h ALA 340 CO 0.87 -0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 3gka h ALA 341 N 1.61 1.26 -0.46 0.00 0.00 -2.02 -2.43 119.26 117.22 3gka h ALA 341 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3gka h ALA 341 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gka h ALA 341 CO -0.23 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.32 3gka n THR 342 N -3.50 0.95 -0.34 0.00 -2.24 -0.47 -4.51 114.28 104.17 3gka n THR 342 Ca -0.02 -0.98 0.08 0.00 -2.27 0.00 0.00 64.05 60.86 3gka n THR 342 Cb 0.14 0.54 0.27 0.00 -2.10 0.00 0.00 70.33 69.19 3gka n THR 342 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gka h PHE 343 N 2.80 1.07 -0.02 4.78 0.04 -1.45 -3.20 116.94 120.97 3gka h PHE 343 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3gka h PHE 343 Cb 0.81 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3gka h PHE 343 CO 0.30 0.41 0.00 0.66 -0.60 0.00 0.00 178.31 179.09 3gka n TYR 344 N -4.61 0.02 -0.86 -0.55 4.02 -1.26 -4.55 117.16 109.37 3gka n TYR 344 Ca 0.19 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 3gka n TYR 344 Cb 0.39 -0.01 0.26 0.00 -0.02 0.00 0.00 39.34 39.95 3gka n TYR 344 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gka s ALA 345 N -0.38 0.18 0.10 -0.72 0.00 -1.21 -4.80 121.76 114.93 3gka s ALA 345 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 3gka s ALA 345 Cb 0.02 -2.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 3gka s ALA 345 CO 0.03 -3.92 0.41 -0.65 0.00 0.00 0.00 175.76 171.63 3gka s GLN 346 N -5.31 3.75 1.19 0.00 -0.21 -1.26 -4.76 119.66 113.06 3gka s GLN 346 Ca 0.70 0.16 0.00 0.00 0.02 0.00 0.00 55.36 56.25 3gka s GLN 346 Cb -0.11 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 30.95 3gka s GLN 346 CO 0.57 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.68 3gka n GLY 347 N 0.75 -1.89 0.38 3.09 0.00 -1.26 -4.21 105.19 102.04 3gka n GLY 347 Ca -0.07 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.67 3gka n GLY 347 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gka h GLU 348 N 0.00 0.22 -6.33 1.61 5.08 -1.99 -3.41 114.58 109.76 3gka h GLU 348 Ca 0.00 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 3gka h GLU 348 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3gka h GLU 348 CO 0.00 0.14 0.93 0.08 -1.00 0.00 0.00 179.01 179.16 3gka s VAL 349 N -5.22 3.64 -1.28 3.13 1.01 -1.26 -1.34 120.40 119.08 3gka s VAL 349 Ca -0.07 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3gka s VAL 349 Cb 0.20 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3gka s VAL 349 CO 0.75 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3gka n GLY 350 N 3.82 0.89 1.49 4.51 0.00 -1.26 -4.79 105.19 109.86 3gka n GLY 350 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3gka n GLY 350 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gka n TYR 351 N -3.06 -0.71 -0.22 1.61 -0.00 -0.45 -4.69 117.16 109.65 3gka n TYR 351 Ca -0.14 0.12 0.04 0.00 -0.00 0.00 0.00 57.90 57.93 3gka n TYR 351 Cb 0.48 0.27 0.12 0.00 -0.00 0.00 0.00 39.34 40.21 3gka n TYR 351 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3gka n THR 352 N -3.05 1.13 0.29 2.97 -2.24 -0.70 -4.63 114.28 108.04 3gka n THR 352 Ca 0.00 -1.11 0.10 0.00 -2.27 0.00 0.00 64.05 60.78 3gka n THR 352 Cb 0.00 0.42 0.18 0.00 -2.10 0.00 0.00 70.33 68.83 3gka n THR 352 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gka n ASP 353 N 0.11 3.19 -4.69 3.42 5.75 -1.23 -4.87 116.55 118.23 3gka n ASP 353 Ca 0.09 -1.92 -0.42 0.00 -0.01 0.00 0.00 54.79 52.53 3gka n ASP 353 Cb 0.42 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 3gka n ASP 353 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3gka s TYR 354 N -1.37 3.24 0.24 2.11 2.02 -1.26 -4.98 117.35 117.35 3gka s TYR 354 Ca 0.33 1.25 -0.28 0.00 -0.37 0.00 0.00 57.07 58.00 3gka s TYR 354 Cb 0.20 -3.40 -0.09 0.00 -0.40 0.00 0.00 41.96 38.26 3gka s TYR 354 CO 0.27 -1.22 0.91 -1.25 -1.57 0.00 0.00 175.55 172.70 3gka s PRO 355 N 2.09 4.76 0.84 -1.71 0.04 -1.26 -4.71 135.00 135.04 3gka s PRO 355 Ca 0.56 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 3gka s PRO 355 Cb -0.25 -3.18 0.10 0.00 0.04 0.00 0.00 34.50 31.21 3gka s PRO 355 CO 0.22 0.48 1.14 0.00 0.04 0.00 0.00 177.00 178.89 3gka s ALA 356 N -1.26 2.25 0.55 8.56 0.00 -1.26 -4.73 121.76 125.87 3gka s ALA 356 Ca 0.42 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 3gka s ALA 356 Cb -0.24 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3gka s ALA 356 CO 0.30 -1.88 1.28 -0.51 0.00 0.00 0.00 175.76 174.95 3gka s LEU 357 N -5.77 3.81 0.00 0.00 1.43 -1.26 -5.08 118.68 111.80 3gka s LEU 357 Ca 0.62 2.58 0.16 0.00 -1.03 0.00 0.00 54.13 56.46 3gka s LEU 357 Cb -0.13 -4.38 0.94 0.00 0.03 0.00 0.00 46.19 42.65 3gka s LEU 357 CO 0.52 -1.51 1.35 -1.84 0.23 0.00 0.00 176.35 175.11