#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gke s THR 3 N 0.00 4.34 0.31 0.00 -1.32 -1.26 -5.08 115.64 112.63 3gke s THR 3 Ca 0.00 -1.36 0.07 0.00 -1.21 0.00 0.00 61.69 59.18 3gke s THR 3 Cb 0.00 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.28 3gke s THR 3 CO 0.00 -0.52 -0.05 -0.36 -2.21 0.00 0.00 174.62 171.49 3gke s PHE 4 N 1.45 2.08 -0.56 9.09 0.08 -1.26 -5.04 117.98 123.82 3gke s PHE 4 Ca 0.03 -0.69 -0.18 0.00 0.12 0.00 0.00 56.93 56.21 3gke s PHE 4 Cb -0.23 -1.23 0.09 0.00 -0.57 0.00 0.00 43.02 41.08 3gke s PHE 4 CO 0.03 0.31 0.64 0.08 -0.10 0.00 0.00 175.22 176.18 3gke s VAL 5 N -2.95 4.91 -0.09 -0.44 1.01 -1.26 -4.85 120.40 116.74 3gke s VAL 5 Ca 0.31 -0.94 0.14 0.00 0.00 0.00 0.00 61.98 61.49 3gke s VAL 5 Cb 0.05 -4.40 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3gke s VAL 5 CO 0.14 -0.98 1.06 0.03 0.00 0.00 0.00 175.10 175.35 3gke h ARG 6 N 9.07 0.00 -4.00 2.72 3.08 -1.94 -3.40 114.38 119.92 3gke h ARG 6 Ca -0.29 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.02 3gke h ARG 6 Cb 1.09 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.02 3gke h ARG 6 CO 1.04 0.49 2.19 0.09 -1.07 0.00 0.00 179.97 182.71 3gke n ASN 7 N -3.08 4.82 -3.53 7.04 3.02 -1.26 -1.57 115.26 120.69 3gke n ASN 7 Ca -0.05 -3.01 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 3gke n ASN 7 Cb 0.85 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.43 3gke n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gke s ALA 8 N 1.51 -1.88 -0.04 5.41 0.00 -1.26 -5.04 121.76 120.46 3gke s ALA 8 Ca 0.43 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 3gke s ALA 8 Cb 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3gke s ALA 8 CO -0.01 -0.57 1.03 -1.58 0.00 0.00 0.00 175.76 174.63 3gke s TRP 9 N -2.48 3.54 0.09 0.00 0.52 -1.26 -4.14 118.94 115.20 3gke s TRP 9 Ca 0.04 1.58 0.09 0.00 0.02 0.00 0.00 56.10 57.82 3gke s TRP 9 Cb -0.01 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.08 3gke s TRP 9 CO -0.05 -0.33 -0.24 0.71 0.02 0.00 0.00 176.95 177.05 3gke s TYR 10 N 1.52 2.09 0.00 -1.98 2.02 -0.15 -4.61 117.35 116.24 3gke s TYR 10 Ca 0.52 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.52 3gke s TYR 10 Cb -0.21 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 3gke s TYR 10 CO 0.24 0.22 1.26 0.08 -1.57 0.00 0.00 175.55 175.78 3gke s VAL 11 N -0.98 3.99 -0.05 0.71 1.01 -1.26 -0.00 120.40 123.82 3gke s VAL 11 Ca 0.10 1.38 0.16 0.00 0.00 0.00 0.00 61.98 63.62 3gke s VAL 11 Cb -0.10 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 3gke s VAL 11 CO 0.04 0.04 0.29 0.00 0.00 0.00 0.00 175.10 175.47 3gke n ALA 12 N 4.79 2.39 -3.50 5.51 0.00 0.18 -4.71 120.51 125.18 3gke n ALA 12 Ca 0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 3gke n ALA 12 Cb 0.45 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3gke n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gke s ALA 13 N -2.96 -1.79 0.25 0.00 0.00 -1.23 -5.04 121.76 111.00 3gke s ALA 13 Ca -0.06 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 3gke s ALA 13 Cb 0.09 0.38 -0.08 0.00 0.00 0.00 0.00 23.12 23.51 3gke s ALA 13 CO 0.66 -0.66 0.66 -0.51 0.00 0.00 0.00 175.76 175.91 3gke s LEU 14 N -2.35 4.20 0.43 0.00 1.43 -1.26 -1.43 118.68 119.69 3gke s LEU 14 Ca 0.03 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 3gke s LEU 14 Cb -0.01 -3.74 0.93 0.00 0.03 0.00 0.00 46.19 43.40 3gke s LEU 14 CO -0.08 -0.07 2.06 1.55 0.23 0.00 0.00 176.35 180.05 3gke h PRO 15 N 2.82 0.41 0.00 1.29 0.13 -1.90 -0.65 132.00 134.10 3gke h PRO 15 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3gke h PRO 15 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3gke h PRO 15 CO 0.66 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.87 3gke n GLU 16 N -4.47 0.14 0.21 0.86 0.00 -1.26 -1.73 120.64 114.39 3gke n GLU 16 Ca 0.02 0.43 0.13 0.00 0.00 0.00 0.00 57.16 57.74 3gke n GLU 16 Cb 0.08 -1.80 0.29 0.00 0.00 0.00 0.00 31.44 30.01 3gke n GLU 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3gke h GLU 17 N 0.00 0.00 -5.98 3.44 5.08 -1.51 -3.47 114.58 112.14 3gke h GLU 17 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 3gke h GLU 17 Cb 0.27 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3gke h GLU 17 CO 0.00 0.00 -0.57 -0.51 -1.00 0.00 0.00 179.01 176.93 3gke s LEU 18 N -5.95 3.96 0.00 1.33 1.43 -0.71 -4.89 118.68 113.84 3gke s LEU 18 Ca 0.06 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3gke s LEU 18 Cb 0.07 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3gke s LEU 18 CO 0.63 0.27 0.00 -1.54 0.23 0.00 0.00 176.35 175.94 3gke n SER 19 N 1.12 0.00 0.02 2.29 3.41 -1.26 -4.86 113.62 114.35 3gke n SER 19 Ca -0.13 -0.71 0.10 0.00 -0.26 0.00 0.00 58.87 57.88 3gke n SER 19 Cb 0.53 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.92 3gke n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gke n GLU 20 N 0.00 0.04 -3.09 4.33 1.02 -1.26 -1.16 120.64 120.53 3gke n GLU 20 Ca 0.00 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 3gke n GLU 20 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 3gke n GLU 20 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3gke s LYS 21 N -3.04 3.78 0.57 3.49 2.20 -1.26 -4.45 119.74 121.02 3gke s LYS 21 Ca 0.09 0.20 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 3gke s LYS 21 Cb 0.13 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3gke s LYS 21 CO 0.39 -0.69 1.32 -2.14 -0.36 0.00 0.00 175.35 173.88 3gke s PRO 22 N 2.73 3.04 -0.20 4.03 0.02 -1.26 -4.89 135.00 138.47 3gke s PRO 22 Ca 0.26 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 3gke s PRO 22 Cb -0.14 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 3gke s PRO 22 CO 0.14 -1.24 0.02 -1.17 -0.33 0.00 0.00 177.00 174.43 3gke s LEU 23 N -3.71 3.40 -0.22 -5.54 2.96 -0.22 -4.91 118.68 110.43 3gke s LEU 23 Ca 0.74 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 54.35 3gke s LEU 23 Cb -0.38 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3gke s LEU 23 CO 0.44 0.07 0.42 -0.83 -1.32 0.00 0.00 176.35 175.14 3gke s GLY 24 N 0.95 2.01 -0.11 7.98 0.00 -1.26 -0.90 107.32 115.99 3gke s GLY 24 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 3gke s GLY 24 CO 0.02 0.94 0.30 -1.60 0.00 0.00 0.00 173.10 172.76 3gke s ARG 25 N 1.65 0.36 -0.19 2.90 3.52 -0.86 -5.00 118.95 121.34 3gke s ARG 25 Ca 0.19 0.38 -0.08 0.00 -0.13 0.00 0.00 55.73 56.09 3gke s ARG 25 Cb -0.15 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 3gke s ARG 25 CO 0.09 -0.05 0.08 0.99 -0.81 0.00 0.00 175.30 175.60 3gke s THR 26 N 0.09 4.90 -0.05 4.11 2.01 -1.26 -0.58 115.64 124.86 3gke s THR 26 Ca -0.01 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3gke s THR 26 Cb -0.02 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 3gke s THR 26 CO 0.01 0.45 -0.18 0.27 -0.69 0.00 0.00 174.62 174.47 3gke s ILE 27 N 0.46 1.51 -1.44 1.82 -4.36 -0.48 -4.49 121.20 114.22 3gke s ILE 27 Ca 0.04 -0.75 -0.04 0.00 -0.26 0.00 0.00 60.65 59.64 3gke s ILE 27 Cb -0.12 -1.30 0.03 0.00 1.25 0.00 0.00 42.46 42.32 3gke s ILE 27 CO 0.00 0.43 0.56 0.18 0.24 0.00 0.00 174.94 176.36 3gke n LEU 28 N 3.17 -2.35 -2.29 0.37 4.32 0.29 -0.73 117.00 119.78 3gke n LEU 28 Ca -0.18 -0.95 -0.17 0.00 -0.02 0.00 0.00 56.01 54.68 3gke n LEU 28 Cb 0.53 -2.31 -0.02 0.00 -1.62 0.00 0.00 43.42 40.00 3gke n LEU 28 CO 0.25 0.41 -0.21 0.47 -1.22 0.00 0.00 177.39 177.10 3gke n ASP 29 N -2.94 -4.91 -3.97 -1.43 8.00 0.12 -4.95 116.55 106.46 3gke n ASP 29 Ca -0.23 0.13 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 3gke n ASP 29 Cb 0.65 -4.16 -0.16 0.00 -0.02 0.00 0.00 41.12 37.42 3gke n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gke s THR 30 N -2.79 1.49 -0.10 -3.53 2.01 0.09 -5.10 115.64 107.71 3gke s THR 30 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3gke s THR 30 Cb 0.00 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3gke s THR 30 CO 0.00 0.19 0.99 -2.16 -0.69 0.00 0.00 174.62 172.95 3gke s PRO 31 N 1.47 4.43 0.08 4.92 0.04 -1.26 -1.38 135.00 143.30 3gke s PRO 31 Ca -0.00 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.46 3gke s PRO 31 Cb -0.16 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 3gke s PRO 31 CO -0.08 -0.29 -0.05 -0.51 0.04 0.00 0.00 177.00 176.10 3gke s LEU 32 N 1.93 3.25 -0.23 -3.56 1.43 0.25 -0.18 118.68 121.57 3gke s LEU 32 Ca 0.48 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3gke s LEU 32 Cb -0.18 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3gke s LEU 32 CO 0.18 0.19 -0.06 0.00 0.23 0.00 0.00 176.35 176.89 3gke s ALA 33 N -1.23 2.72 -0.16 4.21 0.00 0.78 -2.02 121.76 126.06 3gke s ALA 33 Ca 0.23 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3gke s ALA 33 Cb -0.11 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3gke s ALA 33 CO 0.15 -0.61 -0.17 -0.51 0.00 0.00 0.00 175.76 174.62 3gke s LEU 34 N 1.39 2.34 0.16 0.00 1.43 -0.07 -1.42 118.68 122.52 3gke s LEU 34 Ca 0.03 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 3gke s LEU 34 Cb -0.15 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gke s LEU 34 CO -0.05 0.05 0.41 -0.72 0.23 0.00 0.00 176.35 176.28 3gke s TYR 35 N 1.01 0.01 -0.19 0.29 -0.85 -0.84 -1.06 117.35 115.72 3gke s TYR 35 Ca -0.02 -0.36 -0.10 0.00 -0.52 0.00 0.00 57.07 56.08 3gke s TYR 35 Cb -0.15 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 3gke s TYR 35 CO -0.04 -0.79 0.12 1.03 -1.52 0.00 0.00 175.55 174.34 3gke s ARG 36 N -3.88 4.14 0.81 -3.49 0.52 -0.31 -0.37 118.95 116.37 3gke s ARG 36 Ca 0.10 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 54.96 3gke s ARG 36 Cb 0.01 -3.38 0.08 0.00 0.52 0.00 0.00 34.95 32.17 3gke s ARG 36 CO -0.05 0.31 1.10 -0.65 0.02 0.00 0.00 175.30 176.04 3gke s GLN 37 N 0.31 2.01 0.55 3.54 -0.21 0.20 -4.04 119.66 122.03 3gke s GLN 37 Ca 0.08 0.57 0.24 0.00 0.02 0.00 0.00 55.36 56.27 3gke s GLN 37 Cb -0.11 -1.92 1.49 0.00 1.00 0.00 0.00 33.01 33.47 3gke s GLN 37 CO -0.02 -1.66 2.09 -1.35 -2.12 0.00 0.00 175.29 172.24 3gke h PRO 38 N -1.11 0.00 -0.01 2.91 0.11 -1.88 0.23 132.00 132.24 3gke h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gke h PRO 38 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gke h PRO 38 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3gke n ASP 39 N -4.17 0.16 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.11 3gke n ASP 39 Ca 0.02 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3gke n ASP 39 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3gke n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gke n GLY 40 N 0.88 3.08 3.72 6.12 0.00 0.81 -5.04 105.19 114.75 3gke n GLY 40 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gke n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gke s VAL 41 N -2.88 4.56 0.16 1.61 1.01 -1.25 -4.55 120.40 119.06 3gke s VAL 41 Ca 0.00 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.65 3gke s VAL 41 Cb 0.00 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 3gke s VAL 41 CO 0.00 0.21 0.87 -0.69 0.00 0.00 0.00 175.10 175.49 3gke s VAL 42 N 0.59 4.37 0.14 2.92 1.01 -1.26 -0.63 120.40 127.54 3gke s VAL 42 Ca 0.51 1.90 0.11 0.00 0.00 0.00 0.00 61.98 64.50 3gke s VAL 42 Cb -0.24 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 3gke s VAL 42 CO 0.29 0.44 -0.26 0.00 0.00 0.00 0.00 175.10 175.57 3gke s ALA 43 N -0.70 2.41 -0.24 5.51 0.00 0.51 -4.95 121.76 124.29 3gke s ALA 43 Ca 0.40 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3gke s ALA 43 Cb -0.24 -0.37 0.08 0.00 0.00 0.00 0.00 23.12 22.59 3gke s ALA 43 CO 0.28 0.52 0.08 0.00 0.00 0.00 0.00 175.76 176.64 3gke s ALA 44 N -1.18 0.99 0.14 0.00 0.00 -1.26 -1.98 121.76 118.47 3gke s ALA 44 Ca 0.15 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3gke s ALA 44 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3gke s ALA 44 CO 0.07 -1.41 0.05 -0.51 0.00 0.00 0.00 175.76 173.96 3gke s LEU 45 N 1.88 3.55 0.18 0.00 1.43 -0.50 -0.44 118.68 124.78 3gke s LEU 45 Ca 0.04 -0.22 -0.32 0.00 -1.03 0.00 0.00 54.13 52.61 3gke s LEU 45 Cb -0.17 -2.21 -0.11 0.00 0.03 0.00 0.00 46.19 43.73 3gke s LEU 45 CO -0.19 0.11 1.75 -0.22 0.23 0.00 0.00 176.35 178.03 3gke s LEU 46 N -2.77 4.38 -0.18 1.79 2.96 -0.18 -0.15 118.68 124.53 3gke s LEU 46 Ca 0.28 2.83 -0.05 0.00 -0.22 0.00 0.00 54.13 56.97 3gke s LEU 46 Cb -0.10 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 3gke s LEU 46 CO 0.20 -0.98 3.22 -0.67 -1.32 0.00 0.00 176.35 176.80 3gke n ASP 47 N 4.48 5.73 -3.44 3.68 2.03 0.74 -4.65 116.55 125.12 3gke n ASP 47 Ca 0.16 -2.76 -0.17 0.00 0.52 0.00 0.00 54.79 52.54 3gke n ASP 47 Cb 0.36 -1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 3gke n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gke s ILE 48 N -0.32 -0.39 0.31 5.18 1.01 -1.26 -4.26 121.20 121.47 3gke s ILE 48 Ca 0.61 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 3gke s ILE 48 Cb 0.33 -0.83 -0.11 0.00 0.01 0.00 0.00 42.46 41.86 3gke s ILE 48 CO -0.08 -0.32 1.51 0.00 0.00 0.00 0.00 174.94 176.05 3gke h PRO 50 N 4.32 0.00 0.00 0.00 0.11 -1.87 0.11 132.00 134.68 3gke h PRO 50 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gke h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gke h PRO 50 CO 0.74 0.02 0.00 1.58 -0.21 0.00 0.00 178.00 180.13 3gke n HIS 51 N -3.16 0.00 -1.75 0.65 -0.00 -1.26 -4.72 115.22 104.98 3gke n HIS 51 Ca -0.01 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.20 3gke n HIS 51 Cb 0.19 -0.44 0.05 0.00 -0.12 0.00 0.00 29.99 29.67 3gke n HIS 51 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3gke n ARG 52 N -1.82 0.45 -0.96 1.57 1.74 -1.24 -5.02 116.66 111.37 3gke n ARG 52 Ca 0.00 -1.65 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 3gke n ARG 52 Cb 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3gke n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gke n PHE 53 N -0.44 0.00 -1.42 -1.55 3.72 0.39 -4.93 117.46 113.24 3gke n PHE 53 Ca 0.06 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 3gke n PHE 53 Cb 0.72 -0.27 0.10 0.00 -0.94 0.00 0.00 39.48 39.08 3gke n PHE 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gke s ALA 54 N -2.00 2.10 -0.51 4.37 0.00 -1.26 -4.08 121.76 120.38 3gke s ALA 54 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 3gke s ALA 54 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3gke s ALA 54 CO 0.00 -1.92 1.72 -1.25 0.00 0.00 0.00 175.76 174.32 3gke s PRO 55 N -3.89 3.03 0.57 0.00 0.04 -1.26 -0.68 135.00 132.82 3gke s PRO 55 Ca 0.75 0.84 0.27 0.00 0.04 0.00 0.00 61.00 62.89 3gke s PRO 55 Cb -0.30 -4.25 1.63 0.00 0.04 0.00 0.00 34.50 31.62 3gke s PRO 55 CO 0.45 -2.24 2.16 -0.07 0.04 0.00 0.00 177.00 177.35 3gke h LEU 56 N 14.66 0.00 -0.17 -3.56 3.38 -1.89 -1.92 115.31 125.82 3gke h LEU 56 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gke h LEU 56 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gke h LEU 56 CO 1.15 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.14 3gke n SER 57 N -3.99 0.12 -0.77 -0.43 3.41 -1.26 -0.81 113.62 109.88 3gke n SER 57 Ca -0.00 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3gke n SER 57 Cb 0.21 -0.56 0.31 0.00 -0.26 0.00 0.00 64.21 63.92 3gke n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gke n ASP 58 N -1.64 2.32 -4.63 4.04 8.00 -0.72 -4.54 116.55 119.38 3gke n ASP 58 Ca 0.02 -1.81 -0.24 0.00 0.71 0.00 0.00 54.79 53.47 3gke n ASP 58 Cb 0.13 -0.14 0.12 0.00 -0.02 0.00 0.00 41.12 41.21 3gke n ASP 58 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gke s GLY 59 N -1.58 1.75 0.22 0.44 0.00 0.01 -4.74 107.32 103.40 3gke s GLY 59 Ca 0.34 -1.87 0.09 0.00 0.00 0.00 0.00 44.72 43.28 3gke s GLY 59 CO 0.28 -1.24 -0.16 -0.26 0.00 0.00 0.00 173.10 171.72 3gke s ILE 60 N -3.19 1.91 0.26 0.90 -4.36 -1.24 -4.53 121.20 110.94 3gke s ILE 60 Ca 0.68 -2.23 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 3gke s ILE 60 Cb -0.04 -2.08 -0.09 0.00 1.25 0.00 0.00 42.46 41.50 3gke s ILE 60 CO 0.45 -0.52 1.13 -0.76 0.24 0.00 0.00 174.94 175.47 3gke s LEU 61 N -3.29 4.52 -0.19 0.37 1.43 -1.26 -1.23 118.68 119.03 3gke s LEU 61 Ca 0.23 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 3gke s LEU 61 Cb -0.02 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.61 3gke s LEU 61 CO 0.09 -0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 175.64 3gke s VAL 62 N -0.90 1.79 -1.59 -1.59 1.01 0.16 -4.74 120.40 114.54 3gke s VAL 62 Ca 0.46 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3gke s VAL 62 Cb -0.32 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.39 3gke s VAL 62 CO 0.40 0.29 0.80 0.59 0.00 0.00 0.00 175.10 177.18 3gke n ASN 63 N 4.66 -3.28 0.00 3.32 5.03 -1.26 -0.86 115.26 122.87 3gke n ASN 63 Ca -0.17 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.36 3gke n ASN 63 Cb 0.47 -3.22 0.00 0.00 -1.02 0.00 0.00 39.78 36.01 3gke n ASN 63 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gke n GLY 64 N -1.59 0.83 3.41 7.41 0.00 -1.26 -5.00 105.19 108.99 3gke n GLY 64 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3gke n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gke s HIS 65 N -3.23 2.79 0.03 1.61 3.76 -0.04 -4.70 115.29 115.51 3gke s HIS 65 Ca 0.00 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 3gke s HIS 65 Cb 0.00 -1.78 -0.06 0.00 1.11 0.00 0.00 32.58 31.86 3gke s HIS 65 CO 0.00 -0.06 1.33 -1.17 -0.85 0.00 0.00 174.74 173.99 3gke s LEU 66 N -0.02 4.33 -0.22 0.89 2.96 -0.91 0.39 118.68 126.10 3gke s LEU 66 Ca -0.03 2.10 -0.08 0.00 -0.22 0.00 0.00 54.13 55.89 3gke s LEU 66 Cb -0.14 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3gke s LEU 66 CO 0.04 -0.64 0.10 -1.58 -1.32 0.00 0.00 176.35 172.94 3gke s GLN 67 N 1.87 3.88 0.23 1.98 0.74 -0.36 -0.90 119.66 127.10 3gke s GLN 67 Ca 0.62 -0.37 -0.32 0.00 0.05 0.00 0.00 55.36 55.34 3gke s GLN 67 Cb -0.31 -3.36 -0.13 0.00 1.10 0.00 0.00 33.01 30.32 3gke s GLN 67 CO 0.27 0.03 1.59 0.00 -0.55 0.00 0.00 175.29 176.63 3gke n PRO 69 N 2.88 0.07 -0.06 0.00 -0.04 -1.26 -2.25 135.00 134.34 3gke n PRO 69 Ca 0.13 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 3gke n PRO 69 Cb 0.33 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 3gke n PRO 69 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gke n TYR 70 N -1.44 0.77 -1.19 0.54 -0.00 -1.26 -4.78 117.16 109.80 3gke n TYR 70 Ca 0.05 0.33 0.04 0.00 -0.00 0.00 0.00 57.90 58.33 3gke n TYR 70 Cb 0.19 -0.68 0.06 0.00 -0.00 0.00 0.00 39.34 38.91 3gke n TYR 70 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 3gke n HIS 71 N -4.24 0.00 -0.87 2.98 8.25 -1.26 -5.04 115.22 115.04 3gke n HIS 71 Ca -0.06 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3gke n HIS 71 Cb 0.23 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3gke n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gke n GLY 72 N -0.69 0.54 3.69 -1.41 0.00 -0.95 -4.75 105.19 101.63 3gke n GLY 72 Ca 0.07 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3gke n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gke n LEU 73 N 0.00 3.48 -4.35 0.99 4.77 -1.26 -4.60 117.00 116.03 3gke n LEU 73 Ca 0.00 1.20 -0.31 0.00 -0.03 0.00 0.00 56.01 56.88 3gke n LEU 73 Cb 0.00 -1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 39.46 3gke n LEU 73 CO 0.00 -0.51 -0.55 -1.61 -1.33 0.00 0.00 177.39 173.39 3gke s GLU 74 N -1.81 2.02 0.03 3.23 2.02 -0.66 -0.14 118.70 123.40 3gke s GLU 74 Ca 0.56 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 54.63 3gke s GLU 74 Cb -0.58 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 3gke s GLU 74 CO 0.62 0.54 -0.19 -0.06 0.02 0.00 0.00 175.26 176.19 3gke s PHE 75 N -0.73 1.65 0.80 1.61 0.08 -0.08 -0.53 117.98 120.78 3gke s PHE 75 Ca 0.11 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 3gke s PHE 75 Cb -0.10 -0.99 0.16 0.00 -0.57 0.00 0.00 43.02 41.51 3gke s PHE 75 CO 0.01 0.06 1.10 0.16 -0.10 0.00 0.00 175.22 176.45 3gke s ASP 76 N -1.05 3.91 0.42 1.36 1.47 0.25 -2.13 116.67 120.88 3gke s ASP 76 Ca 0.06 -0.24 0.29 0.00 1.18 0.00 0.00 52.55 53.84 3gke s ASP 76 Cb -0.08 0.00 1.17 0.00 -0.34 0.00 0.00 42.92 43.67 3gke s ASP 76 CO 0.01 -2.17 1.86 1.23 0.68 0.00 0.00 175.17 176.78 3gke h GLY 77 N -0.89 0.00 0.44 2.12 0.00 -1.89 -0.13 103.07 102.72 3gke h GLY 77 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3gke h GLY 77 CO 0.38 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.52 3gke n GLY 78 N 0.07 -0.62 1.79 4.60 0.00 -1.26 -4.57 105.19 105.21 3gke n GLY 78 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3gke n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 79 N 1.10 0.92 3.73 -0.02 0.00 -0.06 -4.41 105.19 106.45 3gke n GLY 79 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3gke n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gke s GLN 80 N -0.40 4.41 -0.14 1.61 0.74 -1.26 -0.49 119.66 124.12 3gke s GLN 80 Ca 0.00 1.99 -0.29 0.00 0.05 0.00 0.00 55.36 57.11 3gke s GLN 80 Cb 0.00 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.85 3gke s GLN 80 CO 0.00 -0.24 1.49 0.00 -0.55 0.00 0.00 175.29 175.99 3gke n VAL 82 N 5.67 0.00 -3.67 0.00 0.24 0.30 -4.95 118.33 115.93 3gke n VAL 82 Ca 0.16 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 3gke n VAL 82 Cb 0.44 1.11 -0.09 0.00 -1.47 0.00 0.00 33.84 33.83 3gke n VAL 82 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gke s HIS 83 N -1.73 -0.81 -0.27 6.34 2.46 -1.17 -4.97 115.29 115.13 3gke s HIS 83 Ca 0.09 1.69 0.02 0.00 0.47 0.00 0.00 55.06 57.32 3gke s HIS 83 Cb 0.10 0.43 0.06 0.00 -0.13 0.00 0.00 32.58 33.04 3gke s HIS 83 CO 0.36 -0.42 -0.07 1.21 -2.47 0.00 0.00 174.74 173.34 3gke s ASN 84 N 1.42 4.57 0.10 9.88 2.47 -1.26 -1.65 114.94 130.47 3gke s ASN 84 Ca -0.09 -1.42 0.13 0.00 0.42 0.00 0.00 52.86 51.90 3gke s ASN 84 Cb -0.07 -1.59 0.59 0.00 -1.45 0.00 0.00 41.25 38.73 3gke s ASN 84 CO -0.15 -0.22 1.40 -2.65 -3.72 0.00 0.00 177.10 171.76 3gke n PRO 85 N 4.47 0.06 -4.06 0.43 -0.02 -1.26 -4.23 135.00 130.39 3gke n PRO 85 Ca -0.13 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 3gke n PRO 85 Cb 0.42 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 3gke n PRO 85 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3gke s HIS 86 N -3.15 3.22 0.00 6.00 3.76 -1.26 -4.85 115.29 119.01 3gke s HIS 86 Ca 0.03 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 3gke s HIS 86 Cb 0.06 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.69 3gke s HIS 86 CO 0.19 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 3gke n GLY 87 N 3.51 2.68 0.00 -2.22 0.00 -1.26 -1.32 105.19 106.58 3gke n GLY 87 Ca -0.17 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.69 3gke n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gke n ASN 88 N 5.72 0.00 -0.37 1.61 0.23 -1.26 -4.87 115.26 116.32 3gke n ASN 88 Ca 0.00 -0.22 -0.05 0.00 -0.53 0.00 0.00 54.58 53.78 3gke n ASN 88 Cb 0.00 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 37.48 3gke n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gke n GLY 89 N 0.49 0.71 3.75 4.83 0.00 -0.44 -4.98 105.19 109.55 3gke n GLY 89 Ca 0.12 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3gke n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gke s ALA 90 N -1.98 2.74 -0.56 4.61 0.00 -1.26 -4.35 121.76 120.96 3gke s ALA 90 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.25 3gke s ALA 90 Cb 0.00 -3.53 0.24 0.00 0.00 0.00 0.00 23.12 19.84 3gke s ALA 90 CO 0.00 -1.28 0.65 0.54 0.00 0.00 0.00 175.76 175.67 3gke n ARG 91 N -1.15 1.88 -1.04 0.00 1.74 -1.26 -4.77 116.66 112.06 3gke n ARG 91 Ca 0.11 -4.19 -0.31 0.00 -0.77 0.00 0.00 57.85 52.69 3gke n ARG 91 Cb 0.46 -1.94 0.12 0.00 -1.02 0.00 0.00 32.46 30.09 3gke n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gke s PRO 92 N -1.95 1.75 0.59 5.56 0.04 -1.26 -4.88 135.00 134.85 3gke s PRO 92 Ca 0.37 1.34 0.33 0.00 0.04 0.00 0.00 61.00 63.09 3gke s PRO 92 Cb 0.14 -1.83 1.84 0.00 0.04 0.00 0.00 34.50 34.69 3gke s PRO 92 CO -0.06 -2.05 2.21 0.00 0.04 0.00 0.00 177.00 177.14 3gke h ALA 93 N -1.41 1.27 0.00 8.56 0.00 -1.99 -0.37 119.26 125.33 3gke h ALA 93 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gke h ALA 93 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gke h ALA 93 CO 0.47 0.05 0.00 0.66 0.00 0.00 0.00 179.25 180.43 3gke h SER 94 N 0.00 0.00 0.14 0.00 4.64 -2.03 -1.91 113.55 114.39 3gke h SER 94 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gke h SER 94 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3gke h SER 94 CO 0.00 0.00 -0.17 0.18 -0.87 0.00 0.00 176.83 175.97 3gke n LEU 95 N -2.57 1.26 -4.79 5.97 4.77 -0.15 -4.91 117.00 116.60 3gke n LEU 95 Ca -0.02 -0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 55.22 3gke n LEU 95 Cb 0.05 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3gke n LEU 95 CO 0.14 0.22 0.71 0.20 -1.33 0.00 0.00 177.39 177.34 3gke s ASN 96 N -2.32 6.83 0.04 -1.43 0.01 -0.72 -4.34 114.94 113.00 3gke s ASN 96 Ca 0.29 1.97 0.02 0.00 -0.71 0.00 0.00 52.86 54.43 3gke s ASN 96 Cb 0.20 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 3gke s ASN 96 CO 0.46 -0.44 0.03 0.54 -1.51 0.00 0.00 177.10 176.18 3gke s VAL 97 N -1.72 4.29 0.21 1.60 0.11 0.35 -4.80 120.40 120.45 3gke s VAL 97 Ca 0.58 -0.69 -0.32 0.00 -2.93 0.00 0.00 61.98 58.61 3gke s VAL 97 Cb -0.20 -2.98 -0.13 0.00 -1.53 0.00 0.00 36.38 31.54 3gke s VAL 97 CO 0.25 0.26 1.60 -1.14 -3.33 0.00 0.00 175.10 172.74 3gke n ARG 98 N 0.98 2.42 -5.05 1.54 0.63 -1.26 -4.34 116.66 111.56 3gke n ARG 98 Ca -0.12 0.87 -0.32 0.00 -0.92 0.00 0.00 57.85 57.35 3gke n ARG 98 Cb 0.52 -2.64 -0.15 0.00 0.45 0.00 0.00 32.46 30.64 3gke n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gke s SER 99 N 0.81 3.55 -0.03 6.15 0.15 -1.26 -1.01 113.70 122.06 3gke s SER 99 Ca 0.73 -0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.91 3gke s SER 99 Cb -0.59 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 3gke s SER 99 CO 0.40 0.26 0.27 -0.36 1.20 0.00 0.00 173.24 175.01 3gke s PHE 100 N -0.23 3.62 0.14 3.44 0.08 0.41 -5.00 117.98 120.45 3gke s PHE 100 Ca -0.01 0.68 -0.34 0.00 0.12 0.00 0.00 56.93 57.39 3gke s PHE 100 Cb -0.13 -2.06 -0.14 0.00 -0.57 0.00 0.00 43.02 40.12 3gke s PHE 100 CO 0.03 0.65 1.62 -2.30 -0.10 0.00 0.00 175.22 175.12 3gke n PRO 101 N 1.53 2.20 -3.90 0.24 -0.02 -1.26 -4.58 135.00 129.21 3gke n PRO 101 Ca -0.14 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3gke n PRO 101 Cb 0.53 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 3gke n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gke s VAL 102 N 1.24 0.10 -0.07 -1.45 0.11 -1.26 -1.64 120.40 117.43 3gke s VAL 102 Ca 0.80 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.92 3gke s VAL 102 Cb -0.67 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3gke s VAL 102 CO 0.39 0.10 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.49 3gke s VAL 103 N 0.68 0.83 -0.34 2.04 1.01 -0.19 -5.00 120.40 119.44 3gke s VAL 103 Ca -0.06 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3gke s VAL 103 Cb -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3gke s VAL 103 CO -0.01 0.31 0.68 -0.70 0.00 0.00 0.00 175.10 175.37 3gke s GLU 104 N 1.20 3.75 -0.20 2.72 2.12 -1.26 -1.07 118.70 125.96 3gke s GLU 104 Ca -0.06 0.19 -0.18 0.00 0.36 0.00 0.00 54.97 55.29 3gke s GLU 104 Cb -0.14 -3.79 0.05 0.00 0.26 0.00 0.00 34.13 30.51 3gke s GLU 104 CO -0.02 -0.73 0.53 0.50 -0.54 0.00 0.00 175.26 175.00 3gke s ARG 105 N 2.79 0.60 -1.46 4.30 3.52 -0.52 -4.92 118.95 123.27 3gke s ARG 105 Ca 0.27 0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 56.53 3gke s ARG 105 Cb -0.14 0.27 0.05 0.00 -1.56 0.00 0.00 34.95 33.56 3gke s ARG 105 CO 0.15 -0.08 0.84 -0.25 -0.81 0.00 0.00 175.30 175.15 3gke n ASP 106 N 2.96 -5.35 -3.57 -2.12 8.00 -1.26 -1.35 116.55 113.86 3gke n ASP 106 Ca -0.14 -0.52 -0.26 0.00 0.71 0.00 0.00 54.79 54.57 3gke n ASP 106 Cb 0.56 -4.29 0.05 0.00 -0.02 0.00 0.00 41.12 37.42 3gke n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ALA 107 N -4.25 -1.21 -2.90 2.24 0.00 -1.26 -4.73 120.51 108.40 3gke n ALA 107 Ca -0.02 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 3gke n ALA 107 Cb 0.56 -4.66 -0.12 0.00 0.00 0.00 0.00 19.45 15.23 3gke n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gke s LEU 108 N -7.12 2.21 -0.43 0.00 1.43 -0.46 -4.35 118.68 109.96 3gke s LEU 108 Ca 0.54 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 3gke s LEU 108 Cb -0.26 -0.07 0.06 0.00 0.03 0.00 0.00 46.19 45.96 3gke s LEU 108 CO 0.67 -0.20 0.32 -0.63 0.23 0.00 0.00 176.35 176.74 3gke s ILE 109 N -1.21 4.88 -0.12 -0.59 -1.09 -0.52 -1.44 121.20 121.11 3gke s ILE 109 Ca -0.11 -1.06 -0.11 0.00 -2.23 0.00 0.00 60.65 57.15 3gke s ILE 109 Cb -0.09 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3gke s ILE 109 CO -0.00 -0.47 0.23 0.26 -1.23 0.00 0.00 174.94 173.73 3gke s TRP 110 N 1.58 3.57 0.04 3.97 0.52 -0.24 -0.65 118.94 127.73 3gke s TRP 110 Ca 0.04 0.61 0.04 0.00 0.02 0.00 0.00 56.10 56.81 3gke s TRP 110 Cb -0.22 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 3gke s TRP 110 CO 0.06 0.54 -0.13 0.42 0.02 0.00 0.00 176.95 177.86 3gke s ILE 111 N -0.49 0.99 -0.38 2.03 -1.09 1.00 -1.02 121.20 122.25 3gke s ILE 111 Ca 0.16 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.53 3gke s ILE 111 Cb -0.13 -0.92 0.06 0.00 -1.58 0.00 0.00 42.46 39.90 3gke s ILE 111 CO 0.05 -0.05 0.18 0.86 -1.23 0.00 0.00 174.94 174.75 3gke s TRP 112 N -0.90 3.33 -1.38 3.97 -0.11 -0.65 -0.98 118.94 122.22 3gke s TRP 112 Ca -0.00 -1.60 0.27 0.00 1.22 0.00 0.00 56.10 55.99 3gke s TRP 112 Cb -0.08 -2.68 0.97 0.00 -1.50 0.00 0.00 33.47 30.18 3gke s TRP 112 CO 0.01 -0.81 1.71 -0.35 -4.62 0.00 0.00 176.95 172.89 3gke n PRO 113 N 4.83 0.41 0.00 5.86 -0.04 -1.25 -4.27 135.00 140.54 3gke n PRO 113 Ca -0.10 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 3gke n PRO 113 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3gke n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gke n GLY 114 N 1.38 2.22 3.61 0.55 0.00 -0.61 -4.95 105.19 107.39 3gke n GLY 114 Ca 0.10 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3gke n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 115 N -0.81 5.84 0.48 1.61 -1.08 -1.26 -4.85 116.67 116.60 3gke s ASP 115 Ca 0.00 1.68 0.31 0.00 -0.52 0.00 0.00 52.55 54.02 3gke s ASP 115 Cb 0.00 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 40.23 3gke s ASP 115 CO 0.00 -1.68 1.92 1.55 0.52 0.00 0.00 175.17 177.48 3gke h PRO 116 N 13.19 0.00 -0.01 4.34 0.13 -1.93 -1.59 132.00 146.13 3gke h PRO 116 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3gke h PRO 116 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gke h PRO 116 CO 0.99 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.77 3gke h ALA 117 N 2.07 1.44 -0.02 -0.56 0.00 -2.02 -2.91 119.26 117.27 3gke h ALA 117 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gke h ALA 117 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gke h ALA 117 CO 0.00 -0.01 -0.36 1.28 0.00 0.00 0.00 179.25 180.15 3gke n LEU 118 N -3.70 2.06 -4.58 0.00 4.77 -0.60 -4.89 117.00 110.06 3gke n LEU 118 Ca -0.03 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 3gke n LEU 118 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3gke n LEU 118 CO 0.26 0.38 1.32 0.00 -1.33 0.00 0.00 177.39 178.01 3gke s ALA 119 N -2.22 2.81 -0.31 -1.18 0.00 -1.10 -4.97 121.76 114.79 3gke s ALA 119 Ca 0.18 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 3gke s ALA 119 Cb 0.17 -4.07 0.04 0.00 0.00 0.00 0.00 23.12 19.25 3gke s ALA 119 CO 0.48 -2.87 0.04 0.34 0.00 0.00 0.00 175.76 173.75 3gke s ASP 120 N 4.87 5.02 0.64 0.00 -1.08 -1.26 -4.98 116.67 119.88 3gke s ASP 120 Ca 0.59 -1.12 0.42 0.00 -0.52 0.00 0.00 52.55 51.92 3gke s ASP 120 Cb -0.13 -1.78 2.24 0.00 -1.46 0.00 0.00 42.92 41.78 3gke s ASP 120 CO 0.27 -0.26 2.31 -0.65 0.52 0.00 0.00 175.17 177.36 3gke h PRO 121 N 8.11 0.00 0.00 4.34 0.11 -2.00 0.32 132.00 142.88 3gke h PRO 121 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gke h PRO 121 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gke h PRO 121 CO 0.57 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.14 3gke h GLY 122 N 0.30 0.00 -0.21 -0.55 0.00 -2.01 -2.48 103.07 98.11 3gke h GLY 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gke h GLY 122 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 3gke n ALA 123 N -1.84 2.83 -1.85 3.60 0.00 0.10 -4.90 120.51 118.45 3gke n ALA 123 Ca 0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 3gke n ALA 123 Cb 0.20 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 3gke n ALA 123 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gke s ILE 124 N -2.24 2.40 0.48 0.00 1.01 -0.94 -4.93 121.20 116.98 3gke s ILE 124 Ca 0.31 0.27 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 3gke s ILE 124 Cb 0.20 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 3gke s ILE 124 CO 0.42 0.02 1.10 -2.65 0.00 0.00 0.00 174.94 173.84 3gke n PRO 125 N 4.08 1.42 -2.70 2.79 -0.02 -1.26 -4.91 135.00 134.39 3gke n PRO 125 Ca 0.15 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 3gke n PRO 125 Cb 0.37 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3gke n PRO 125 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gke s ASP 126 N -0.84 6.28 -0.43 2.55 2.15 -1.26 -4.87 116.67 120.26 3gke s ASP 126 Ca 0.67 -0.41 0.04 0.00 0.43 0.00 0.00 52.55 53.28 3gke s ASP 126 Cb -0.49 -2.49 0.45 0.00 -0.30 0.00 0.00 42.92 40.09 3gke s ASP 126 CO 0.54 -1.50 1.44 0.49 -0.17 0.00 0.00 175.17 175.97 3gke n PHE 127 N 8.28 2.95 0.28 -5.34 3.72 -1.26 -4.87 117.46 121.21 3gke n PHE 127 Ca 0.02 -2.52 0.12 0.00 -0.05 0.00 0.00 57.45 55.02 3gke n PHE 127 Cb 0.48 -0.65 0.77 0.00 -0.94 0.00 0.00 39.48 39.14 3gke n PHE 127 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3gke h GLY 128 N 2.20 0.00 1.02 1.37 0.00 -1.92 -1.41 103.07 104.32 3gke h GLY 128 Ca 0.44 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.89 3gke h GLY 128 CO 1.02 0.00 0.37 0.00 0.00 0.00 0.00 176.54 177.93 3gke h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.55 -2.75 114.38 113.16 3gke h ARG 130 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3gke h ARG 130 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3gke h ARG 130 CO -0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 3gke n VAL 131 N -2.80 0.66 -2.67 2.04 0.24 -0.52 -4.79 118.33 110.49 3gke n VAL 131 Ca 0.00 -0.68 -0.43 0.00 -2.04 0.00 0.00 64.34 61.19 3gke n VAL 131 Cb 0.23 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 3gke n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gke s ASP 132 N -0.66 7.02 0.15 -1.34 -1.08 -0.93 -4.93 116.67 114.90 3gke s ASP 132 Ca 0.00 1.23 0.13 0.00 -0.52 0.00 0.00 52.55 53.39 3gke s ASP 132 Cb 0.00 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.58 3gke s ASP 132 CO 0.00 -0.74 1.41 -0.81 0.52 0.00 0.00 175.17 175.56 3gke n PRO 133 N 6.50 0.08 0.00 4.34 -0.04 -1.26 -0.94 135.00 143.67 3gke n PRO 133 Ca 0.11 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.17 3gke n PRO 133 Cb 0.47 -1.72 0.43 0.00 -0.04 0.00 0.00 33.50 32.63 3gke n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gke n ALA 134 N -1.64 1.91 -2.35 0.55 0.00 -1.26 -4.75 120.51 112.98 3gke n ALA 134 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3gke n ALA 134 Cb 0.08 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 3gke n ALA 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gke s TYR 135 N -3.00 2.25 -0.24 0.00 2.02 -0.12 -4.63 117.35 113.64 3gke s TYR 135 Ca 0.10 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.19 3gke s TYR 135 Cb 0.13 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3gke s TYR 135 CO 0.36 0.05 0.56 0.50 -1.57 0.00 0.00 175.55 175.45 3gke s ARG 136 N -0.94 4.13 -0.15 -0.62 6.06 0.12 -4.82 118.95 122.73 3gke s ARG 136 Ca 0.10 0.44 0.01 0.00 -2.50 0.00 0.00 55.73 53.79 3gke s ARG 136 Cb -0.10 -3.62 0.00 0.00 0.06 0.00 0.00 34.95 31.29 3gke s ARG 136 CO 0.01 -0.31 -0.17 0.99 -2.50 0.00 0.00 175.30 173.32 3gke s THR 137 N 2.15 2.49 0.17 4.11 2.01 -1.26 -1.21 115.64 124.11 3gke s THR 137 Ca 0.24 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3gke s THR 137 Cb -0.16 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3gke s THR 137 CO 0.09 0.53 0.09 0.68 -0.69 0.00 0.00 174.62 175.32 3gke s VAL 138 N 0.79 0.13 -2.19 3.82 -7.23 -0.82 -4.99 120.40 109.91 3gke s VAL 138 Ca -0.06 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3gke s VAL 138 Cb -0.15 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3gke s VAL 138 CO -0.00 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 3gke n GLY 139 N -0.21 -0.61 0.00 2.32 0.00 -1.26 -0.82 105.19 104.61 3gke n GLY 139 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gke n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 140 N 0.00 0.48 3.02 -0.02 0.00 -0.23 -4.76 105.19 103.67 3gke n GLY 140 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 3gke n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gke s TYR 141 N -2.02 0.75 0.13 1.61 5.04 -1.26 -1.13 117.35 120.47 3gke s TYR 141 Ca 0.00 -0.17 -0.05 0.00 -2.44 0.00 0.00 57.07 54.42 3gke s TYR 141 Cb 0.00 -0.48 -0.02 0.00 0.35 0.00 0.00 41.96 41.81 3gke s TYR 141 CO 0.00 -0.01 0.15 0.20 -1.34 0.00 0.00 175.55 174.54 3gke s GLY 142 N -0.30 0.66 0.00 8.97 0.00 0.11 -4.97 107.32 111.78 3gke s GLY 142 Ca 0.02 -1.14 0.08 0.00 0.00 0.00 0.00 44.72 43.68 3gke s GLY 142 CO -0.00 -1.10 -0.25 -1.58 0.00 0.00 0.00 173.10 170.16 3gke s HIS 143 N -3.99 2.35 -0.01 1.90 2.46 -1.26 -0.47 115.29 116.27 3gke s HIS 143 Ca 0.18 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.31 3gke s HIS 143 Cb 0.06 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.04 3gke s HIS 143 CO -0.01 0.04 -0.04 0.08 -2.47 0.00 0.00 174.74 172.34 3gke s VAL 144 N -0.70 0.37 -1.02 0.89 1.01 -0.33 -5.00 120.40 115.62 3gke s VAL 144 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3gke s VAL 144 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3gke s VAL 144 CO 0.00 0.12 2.83 0.47 0.00 0.00 0.00 175.10 178.53 3gke n ASP 145 N 3.22 7.50 -4.08 3.32 8.00 -1.26 -0.80 116.55 132.45 3gke n ASP 145 Ca -0.16 -2.89 -0.08 0.00 0.71 0.00 0.00 54.79 52.37 3gke n ASP 145 Cb 0.57 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 3gke n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gke n ASN 147 N 0.03 3.11 0.10 0.00 2.85 -1.25 -2.60 115.26 117.50 3gke n ASN 147 Ca -0.12 1.13 0.17 0.00 -0.11 0.00 0.00 54.58 55.65 3gke n ASN 147 Cb 0.62 -1.47 0.71 0.00 1.24 0.00 0.00 39.78 40.88 3gke n ASN 147 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 3gke h TYR 148 N 4.75 0.00 -0.04 1.20 -0.00 -1.83 -1.87 116.97 119.19 3gke h TYR 148 Ca -0.45 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.29 3gke h TYR 148 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.99 3gke h TYR 148 CO 0.58 0.00 0.03 0.87 -0.00 0.00 0.00 178.16 179.64 3gke h LYS 149 N 0.00 0.00 -0.36 0.10 1.57 -1.96 -0.99 116.57 114.94 3gke h LYS 149 Ca 0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3gke h LYS 149 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3gke h LYS 149 CO -0.00 0.00 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.55 3gke h LEU 150 N 0.00 0.74 -0.19 2.94 3.38 -1.72 -0.50 115.31 119.97 3gke h LEU 150 Ca 0.02 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.51 3gke h LEU 150 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3gke h LEU 150 CO -0.00 0.97 -0.94 -0.07 0.09 0.00 0.00 178.44 178.49 3gke h LEU 151 N 0.63 0.17 -0.28 1.67 3.38 -1.34 -2.23 115.31 117.31 3gke h LEU 151 Ca 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gke h LEU 151 Cb 0.76 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3gke h LEU 151 CO 0.06 1.01 0.17 0.58 0.09 0.00 0.00 178.44 180.35 3gke h VAL 152 N 0.06 1.10 -0.56 1.22 2.07 -1.19 -1.14 116.25 117.82 3gke h VAL 152 Ca -0.04 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.33 3gke h VAL 152 Cb 1.61 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 3gke h VAL 152 CO 0.14 0.10 0.18 0.44 0.02 0.00 0.00 177.57 178.45 3gke h ASP 153 N 0.35 0.15 -0.51 0.57 3.32 -0.97 -1.07 116.42 118.27 3gke h ASP 153 Ca 0.10 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3gke h ASP 153 Cb 0.01 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3gke h ASP 153 CO -0.02 0.10 0.21 -1.13 -1.72 0.00 0.00 179.24 176.69 3gke h ASN 154 N 0.35 0.70 -0.70 6.45 -0.00 -1.23 -1.53 115.58 119.63 3gke h ASN 154 Ca 0.28 -0.16 -0.05 0.00 -0.00 0.00 0.00 56.30 56.37 3gke h ASN 154 Cb 0.34 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.45 3gke h ASN 154 CO -0.30 0.67 0.26 -0.07 -0.00 0.00 0.00 177.43 177.99 3gke h LEU 155 N 0.69 0.99 0.00 0.34 3.38 -0.91 -2.89 115.31 116.90 3gke h LEU 155 Ca 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gke h LEU 155 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gke h LEU 155 CO -0.02 0.90 -0.21 0.23 0.09 0.00 0.00 178.44 179.43 3gke n MET 156 N -4.28 0.10 -3.05 1.13 2.81 -0.43 -5.04 117.12 108.36 3gke n MET 156 Ca 0.06 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.59 3gke n MET 156 Cb 0.20 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 3gke n MET 156 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3gke s ASP 157 N -3.51 6.41 0.00 7.83 2.15 -0.59 -4.31 116.67 124.65 3gke s ASP 157 Ca 0.11 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.09 3gke s ASP 157 Cb 0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 3gke s ASP 157 CO 0.61 -0.74 0.00 -0.62 -0.17 0.00 0.00 175.17 174.26 3gke n GLU 178 N 6.31 0.00 -2.87 4.34 1.02 -1.04 -5.09 120.64 123.31 3gke n GLU 178 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 3gke n GLU 178 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 3gke n GLU 178 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gke s ARG 179 N 0.00 4.39 -0.06 3.49 0.52 -1.26 -2.51 118.95 123.51 3gke s ARG 179 Ca 0.00 1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 56.23 3gke s ARG 179 Cb 0.00 -2.61 0.03 0.00 0.52 0.00 0.00 34.95 32.89 3gke s ARG 179 CO 0.00 0.20 0.31 -1.21 0.02 0.00 0.00 175.30 174.62 3gke s GLU 180 N -2.43 0.53 -0.19 3.54 2.02 -0.01 -4.99 118.70 117.17 3gke s GLU 180 Ca 0.53 0.10 -0.00 0.00 0.02 0.00 0.00 54.97 55.62 3gke s GLU 180 Cb -0.15 0.24 0.01 0.00 0.10 0.00 0.00 34.13 34.33 3gke s GLU 180 CO 0.20 -0.12 -0.15 0.08 0.02 0.00 0.00 175.26 175.29 3gke s VAL 181 N -0.63 2.50 -0.24 2.63 1.01 -1.26 -0.21 120.40 124.20 3gke s VAL 181 Ca -0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3gke s VAL 181 Cb -0.04 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3gke s VAL 181 CO 0.02 0.50 -0.00 -0.63 0.00 0.00 0.00 175.10 175.00 3gke s ILE 182 N 1.25 3.65 -0.23 2.22 1.01 0.16 -4.96 121.20 124.30 3gke s ILE 182 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 3gke s ILE 182 Cb -0.14 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3gke s ILE 182 CO -0.08 0.35 -0.02 -0.69 0.00 0.00 0.00 174.94 174.49 3gke s VAL 183 N 1.51 3.50 0.00 2.92 1.01 -1.26 -0.21 120.40 127.86 3gke s VAL 183 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3gke s VAL 183 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3gke s VAL 183 CO -0.01 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3gke n GLY 184 N 4.81 5.74 3.44 4.51 0.00 0.50 -5.02 105.19 119.17 3gke n GLY 184 Ca -0.18 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 3gke n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gke s ASP 185 N 0.13 6.20 -0.40 1.61 -1.08 -1.26 -3.71 116.67 118.16 3gke s ASP 185 Ca 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 3gke s ASP 185 Cb 0.00 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 3gke s ASP 185 CO 0.00 -1.27 0.00 0.61 0.52 0.00 0.00 175.17 175.03 3gke n GLY 186 N 5.27 0.60 2.89 2.66 0.00 -1.26 -5.00 105.19 110.35 3gke n GLY 186 Ca -0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 3gke n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gke s GLU 187 N -1.67 0.03 -0.01 1.61 2.12 -1.24 -1.42 118.70 118.12 3gke s GLU 187 Ca 0.00 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.42 3gke s GLU 187 Cb 0.00 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.38 3gke s GLU 187 CO 0.00 -0.03 -0.02 0.42 -0.54 0.00 0.00 175.26 175.09 3gke s ILE 188 N 0.21 0.20 -0.07 -3.70 1.01 -0.22 -0.37 121.20 118.25 3gke s ILE 188 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.66 3gke s ILE 188 Cb -0.02 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 3gke s ILE 188 CO -0.01 0.10 -0.25 -1.10 0.00 0.00 0.00 174.94 173.68 3gke s GLN 189 N 0.39 2.70 -0.30 2.79 -0.21 0.71 -0.75 119.66 124.99 3gke s GLN 189 Ca -0.04 -0.90 -0.02 0.00 0.02 0.00 0.00 55.36 54.43 3gke s GLN 189 Cb -0.06 -2.20 0.05 0.00 1.00 0.00 0.00 33.01 31.79 3gke s GLN 189 CO -0.01 0.32 0.00 0.00 -2.12 0.00 0.00 175.29 173.48 3gke s ALA 190 N -0.01 2.82 -0.09 6.09 0.00 0.44 0.36 121.76 131.37 3gke s ALA 190 Ca -0.08 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 3gke s ALA 190 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 3gke s ALA 190 CO 0.05 -1.22 0.03 -0.51 0.00 0.00 0.00 175.76 174.12 3gke s LEU 191 N 1.28 3.74 -0.03 0.00 1.43 0.70 -0.56 118.68 125.24 3gke s LEU 191 Ca -0.04 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3gke s LEU 191 Cb -0.19 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3gke s LEU 191 CO -0.01 0.38 0.03 -0.32 0.23 0.00 0.00 176.35 176.66 3gke s MET 192 N -0.98 -0.01 -0.05 1.70 1.75 -1.16 -0.83 119.30 119.72 3gke s MET 192 Ca 0.14 0.22 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 3gke s MET 192 Cb -0.11 -0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 3gke s MET 192 CO 0.03 -0.20 -0.21 0.21 -0.65 0.00 0.00 175.02 174.20 3gke s LYS 193 N 1.33 2.52 -0.46 4.11 2.20 -1.04 -0.94 119.74 127.45 3gke s LYS 193 Ca -0.06 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 3gke s LYS 193 Cb -0.13 -2.25 0.12 0.00 -1.51 0.00 0.00 37.83 34.06 3gke s LYS 193 CO -0.03 0.48 0.19 0.42 -0.36 0.00 0.00 175.35 176.06 3gke s ILE 194 N -0.39 2.59 0.63 5.43 1.09 0.11 -2.50 121.20 128.14 3gke s ILE 194 Ca 0.04 -2.88 -0.19 0.00 -1.10 0.00 0.00 60.65 56.52 3gke s ILE 194 Cb -0.12 -2.82 -0.02 0.00 -1.06 0.00 0.00 42.46 38.44 3gke s ILE 194 CO 0.02 -0.73 1.31 -2.65 -0.10 0.00 0.00 174.94 172.80 3gke n PRO 195 N 3.63 1.25 -3.35 2.79 -0.02 -1.26 -1.68 135.00 136.36 3gke n PRO 195 Ca 0.04 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 3gke n PRO 195 Cb 0.37 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 3gke n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gke n GLY 196 N 0.88 -0.48 0.00 -1.23 0.00 -0.63 -4.92 105.19 98.82 3gke n GLY 196 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3gke n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gke n GLY 197 N -1.05 -0.70 2.75 -0.02 0.00 -0.67 -4.95 105.19 100.55 3gke n GLY 197 Ca -0.00 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 3gke n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gke s THR 198 N -0.01 0.21 0.18 2.61 2.01 -1.26 -4.65 115.64 114.72 3gke s THR 198 Ca 0.00 0.20 -0.33 0.00 0.31 0.00 0.00 61.69 61.86 3gke s THR 198 Cb 0.00 -0.38 -0.14 0.00 0.01 0.00 0.00 72.50 71.99 3gke s THR 198 CO 0.00 0.22 1.45 -0.81 -0.69 0.00 0.00 174.62 174.78 3gke n PRO 199 N 4.98 1.88 -1.08 4.92 -0.04 -1.26 -4.96 135.00 139.44 3gke n PRO 199 Ca -0.10 0.67 -0.35 0.00 -0.04 0.00 0.00 63.50 63.68 3gke n PRO 199 Cb 0.50 -2.36 0.07 0.00 -0.04 0.00 0.00 33.50 31.67 3gke n PRO 199 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gke n SER 200 N 2.73 -2.40 -0.36 3.54 3.41 -1.26 -4.70 113.62 114.58 3gke n SER 200 Ca 0.15 0.46 0.01 0.00 -0.26 0.00 0.00 58.87 59.23 3gke n SER 200 Cb 0.28 -1.11 0.15 0.00 -0.26 0.00 0.00 64.21 63.26 3gke n SER 200 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3gke h VAL 201 N -0.78 1.12 -0.86 -3.33 2.07 -2.00 -0.93 116.25 111.53 3gke h VAL 201 Ca -0.44 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3gke h VAL 201 Cb 1.33 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3gke h VAL 201 CO 0.37 0.21 0.53 0.25 0.02 0.00 0.00 177.57 178.96 3gke h LEU 202 N 1.17 1.02 0.00 2.57 5.85 -2.03 -3.21 115.31 120.68 3gke h LEU 202 Ca 0.40 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3gke h LEU 202 Cb 0.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3gke h LEU 202 CO -0.15 0.78 -1.47 0.23 -0.34 0.00 0.00 178.44 177.49 3gke n MET 203 N -4.44 0.57 -0.35 1.25 2.81 -1.03 -4.52 117.12 111.40 3gke n MET 203 Ca 0.09 -0.05 0.25 0.00 -1.81 0.00 0.00 57.70 56.19 3gke n MET 203 Cb 0.05 -1.64 0.51 0.00 -0.71 0.00 0.00 33.22 31.42 3gke n MET 203 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gke h ALA 204 N 2.11 2.14 -0.00 3.04 0.00 -1.18 -1.03 119.26 124.34 3gke h ALA 204 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gke h ALA 204 Cb 0.95 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gke h ALA 204 CO 0.00 -0.70 -0.07 0.36 0.00 0.00 0.00 179.25 178.84 3gke n LYS 205 N -4.88 0.28 0.00 0.00 2.85 -1.26 -3.03 118.16 112.12 3gke n LYS 205 Ca 0.31 -0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.65 3gke n LYS 205 Cb 1.02 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 34.22 3gke n LYS 205 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3gke n PHE 206 N -1.32 0.00 -0.06 5.58 3.01 -0.39 -5.21 117.46 119.07 3gke n PHE 206 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3gke n PHE 206 Cb 0.29 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3gke n PHE 206 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gke n LEU 207 N 0.29 0.00 -3.79 4.37 4.77 -1.17 -5.08 117.00 116.39 3gke n LEU 207 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 3gke n LEU 207 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3gke n LEU 207 CO 0.19 0.00 -0.19 -2.65 -1.33 0.00 0.00 177.39 173.42 3gke n PRO 213 N 0.00 -1.28 -4.33 3.23 -0.01 -1.26 -5.13 135.00 126.22 3gke n PRO 213 Ca 0.00 0.67 -0.28 0.00 -0.01 0.00 0.00 63.50 63.88 3gke n PRO 213 Cb 0.00 -2.63 -0.11 0.00 -0.01 0.00 0.00 33.50 30.75 3gke n PRO 213 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3gke s VAL 214 N -3.11 2.85 0.00 -1.45 -7.23 -1.26 -0.91 120.40 109.30 3gke s VAL 214 Ca 0.11 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 3gke s VAL 214 Cb -0.06 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3gke s VAL 214 CO 0.90 -0.02 0.21 -1.81 -0.31 0.00 0.00 175.10 174.07 3gke s ASP 215 N -2.49 6.40 0.13 4.85 1.01 0.41 -1.60 116.67 125.39 3gke s ASP 215 Ca 0.21 0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.97 3gke s ASP 215 Cb -0.09 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3gke s ASP 215 CO 0.12 0.25 -0.24 0.00 0.21 0.00 0.00 175.17 175.51 3gke s ALA 216 N -1.34 2.14 0.04 5.23 0.00 -0.70 -1.21 121.76 125.93 3gke s ALA 216 Ca 0.28 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3gke s ALA 216 Cb -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3gke s ALA 216 CO 0.19 0.44 -0.17 -1.58 0.00 0.00 0.00 175.76 174.63 3gke s TRP 217 N -1.24 1.50 -0.34 0.00 0.51 -0.21 0.08 118.94 119.24 3gke s TRP 217 Ca 0.12 -0.36 0.00 0.00 -2.12 0.00 0.00 56.10 53.74 3gke s TRP 217 Cb -0.09 -0.89 0.14 0.00 -0.81 0.00 0.00 33.47 31.81 3gke s TRP 217 CO 0.06 0.06 0.26 -0.80 -0.51 0.00 0.00 176.95 176.02 3gke s ASN 218 N -1.16 2.35 0.18 2.95 -0.87 -0.12 -1.74 114.94 116.54 3gke s ASN 218 Ca 0.04 -1.71 0.08 0.00 -1.57 0.00 0.00 52.86 49.70 3gke s ASN 218 Cb -0.08 0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.11 3gke s ASN 218 CO 0.02 -0.32 -0.04 -1.81 -2.57 0.00 0.00 177.10 172.37 3gke s ASP 219 N 1.48 4.54 -0.02 -1.22 1.01 0.04 -3.00 116.67 119.49 3gke s ASP 219 Ca 0.15 -0.48 -0.03 0.00 0.71 0.00 0.00 52.55 52.91 3gke s ASP 219 Cb -0.19 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 42.87 3gke s ASP 219 CO -0.10 0.09 0.06 -0.51 0.21 0.00 0.00 175.17 174.93 3gke s ILE 220 N -1.73 0.02 -0.14 0.77 2.07 0.27 -0.92 121.20 121.54 3gke s ILE 220 Ca 0.26 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3gke s ILE 220 Cb -0.09 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 3gke s ILE 220 CO 0.17 -0.07 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.38 3gke s ARG 221 N -0.20 3.29 -0.14 3.50 3.52 -0.05 -0.42 118.95 128.45 3gke s ARG 221 Ca -0.02 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.80 3gke s ARG 221 Cb -0.02 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 3gke s ARG 221 CO 0.00 0.12 0.04 -0.46 -0.81 0.00 0.00 175.30 174.20 3gke s TRP 222 N 0.56 3.25 0.06 5.12 -0.00 0.07 -0.83 118.94 127.16 3gke s TRP 222 Ca -0.09 0.13 0.08 0.00 -0.00 0.00 0.00 56.10 56.22 3gke s TRP 222 Cb -0.16 -1.96 -0.03 0.00 -0.00 0.00 0.00 33.47 31.32 3gke s TRP 222 CO 0.04 0.31 -0.19 -0.80 -0.00 0.00 0.00 176.95 176.31 3gke s ASN 223 N -0.20 3.76 0.50 5.86 -0.87 0.18 -1.06 114.94 123.11 3gke s ASN 223 Ca 0.07 -0.47 -0.23 0.00 -1.57 0.00 0.00 52.86 50.66 3gke s ASN 223 Cb -0.12 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.25 40.48 3gke s ASN 223 CO 0.02 0.24 1.30 2.29 -2.57 0.00 0.00 177.10 178.38 3gke n LYS 224 N 1.42 1.76 -0.02 -0.60 2.85 -0.51 -2.25 118.16 120.81 3gke n LYS 224 Ca -0.16 0.64 -0.06 0.00 -1.05 0.00 0.00 58.31 57.68 3gke n LYS 224 Cb 0.52 -2.49 -0.13 0.00 -0.65 0.00 0.00 35.03 32.29 3gke n LYS 224 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3gke n VAL 225 N -0.75 1.39 -2.62 0.58 0.31 -1.26 -4.65 118.33 111.33 3gke n VAL 225 Ca 0.09 -0.76 -0.02 0.00 -0.01 0.00 0.00 64.34 63.63 3gke n VAL 225 Cb 0.43 -0.82 0.10 0.00 -0.91 0.00 0.00 33.84 32.64 3gke n VAL 225 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gke n SER 226 N -2.92 -1.05 -4.28 4.52 3.41 -1.12 -4.97 113.62 107.21 3gke n SER 226 Ca -0.17 -2.17 -0.34 0.00 -0.26 0.00 0.00 58.87 55.92 3gke n SER 226 Cb 0.99 0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 65.30 3gke n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gke s ALA 227 N -0.33 2.71 0.07 7.33 0.00 -0.95 -1.12 121.76 129.46 3gke s ALA 227 Ca 0.11 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.97 3gke s ALA 227 Cb 0.39 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3gke s ALA 227 CO -0.11 -0.37 -0.18 -1.64 0.00 0.00 0.00 175.76 173.47 3gke s MET 228 N 1.36 1.08 -0.08 0.00 -1.94 -0.29 -0.65 119.30 118.79 3gke s MET 228 Ca 0.04 -0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 3gke s MET 228 Cb -0.14 -1.19 0.03 0.00 2.01 0.00 0.00 34.83 35.54 3gke s MET 228 CO -0.05 0.29 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.06 3gke s LEU 229 N -1.50 0.82 0.47 -0.03 2.96 -0.01 -1.15 118.68 120.24 3gke s LEU 229 Ca 0.04 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3gke s LEU 229 Cb -0.09 -0.53 0.03 0.00 0.50 0.00 0.00 46.19 46.09 3gke s LEU 229 CO 0.02 -0.16 0.58 0.54 -1.32 0.00 0.00 176.35 176.02 3gke s ASN 230 N 1.77 5.33 -0.15 3.68 2.20 -0.23 -0.87 114.94 126.67 3gke s ASN 230 Ca 0.03 -0.65 -0.04 0.00 -0.94 0.00 0.00 52.86 51.26 3gke s ASN 230 Cb -0.13 -0.32 0.07 0.00 -2.00 0.00 0.00 41.25 38.87 3gke s ASN 230 CO -0.05 -0.91 0.17 0.12 -2.94 0.00 0.00 177.10 173.48 3gke s PHE 231 N -2.48 -0.13 -0.14 1.54 5.36 -0.09 -1.85 117.98 120.18 3gke s PHE 231 Ca 0.54 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 3gke s PHE 231 Cb -0.07 -0.40 0.02 0.00 -0.34 0.00 0.00 43.02 42.23 3gke s PHE 231 CO 0.33 -0.46 -0.13 0.42 -1.46 0.00 0.00 175.22 173.92 3gke s ILE 232 N 2.27 1.46 0.02 3.12 -1.09 -0.70 -0.78 121.20 125.51 3gke s ILE 232 Ca 0.04 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 3gke s ILE 232 Cb -0.14 -1.39 0.03 0.00 -1.58 0.00 0.00 42.46 39.38 3gke s ILE 232 CO -0.09 0.44 0.38 0.00 -1.23 0.00 0.00 174.94 174.44 3gke s ALA 233 N 1.52 -0.93 -0.05 9.38 0.00 -0.71 -1.28 121.76 129.69 3gke s ALA 233 Ca 0.05 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 3gke s ALA 233 Cb -0.13 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3gke s ALA 233 CO -0.10 -0.38 0.20 0.54 0.00 0.00 0.00 175.76 176.02 3gke s VAL 234 N -2.06 0.03 0.18 0.00 0.11 -0.05 -1.04 120.40 117.57 3gke s VAL 234 Ca -0.08 -0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 58.60 3gke s VAL 234 Cb -0.02 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3gke s VAL 234 CO 0.00 -0.13 0.43 0.00 -3.33 0.00 0.00 175.10 172.07 3gke s ALA 235 N -0.42 -0.58 0.27 1.54 0.00 -0.35 -1.44 121.76 120.77 3gke s ALA 235 Ca -0.05 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 3gke s ALA 235 Cb -0.03 0.84 -0.14 0.00 0.00 0.00 0.00 23.12 23.78 3gke s ALA 235 CO 0.01 -0.74 1.02 -2.30 0.00 0.00 0.00 175.76 173.75 3gke n PRO 236 N -0.29 1.28 -1.64 0.00 -0.02 -1.26 -0.44 135.00 132.63 3gke n PRO 236 Ca -0.09 0.45 -0.45 0.00 -2.02 0.00 0.00 63.50 61.39 3gke n PRO 236 Cb 0.63 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 3gke n PRO 236 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gke n GLU 237 N 0.93 1.69 0.00 -0.52 2.13 -0.08 -2.00 120.64 122.78 3gke n GLU 237 Ca 0.11 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3gke n GLU 237 Cb 0.30 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3gke n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gke n GLY 238 N 1.49 3.10 3.73 8.31 0.00 -1.26 -4.97 105.19 115.58 3gke n GLY 238 Ca 0.10 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3gke n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gke s THR 239 N -0.62 2.50 -0.21 2.61 2.01 -0.85 -4.90 115.64 116.19 3gke s THR 239 Ca 0.00 0.38 -0.41 0.00 0.31 0.00 0.00 61.69 61.97 3gke s THR 239 Cb 0.00 -3.24 -0.17 0.00 0.01 0.00 0.00 72.50 69.10 3gke s THR 239 CO 0.00 0.04 1.55 -2.65 -0.69 0.00 0.00 174.62 172.87 3gke n PRO 240 N 3.39 0.78 0.33 4.92 -0.02 -1.26 -4.79 135.00 138.36 3gke n PRO 240 Ca 0.12 0.29 0.20 0.00 -2.02 0.00 0.00 63.50 62.09 3gke n PRO 240 Cb 0.38 -1.90 1.09 0.00 -0.02 0.00 0.00 33.50 33.05 3gke n PRO 240 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3gke h LYS 241 N 5.70 0.00 0.00 -0.52 2.10 -1.99 0.38 116.57 122.24 3gke h LYS 241 Ca -0.47 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.12 3gke h LYS 241 Cb 1.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.67 3gke h LYS 241 CO 0.89 0.00 -0.30 0.93 -2.00 0.00 0.00 179.45 178.97 3gke h GLU 242 N 0.00 0.00 -0.54 0.07 3.07 -2.02 -2.69 114.58 112.46 3gke h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gke h GLU 242 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3gke h GLU 242 CO 0.00 0.30 0.00 1.04 -1.40 0.00 0.00 179.01 178.95 3gke n GLN 243 N -3.46 4.12 -1.61 2.33 6.02 0.13 -5.01 117.38 119.90 3gke n GLN 243 Ca 0.00 -2.98 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 3gke n GLN 243 Cb 0.48 -2.03 0.08 0.00 1.02 0.00 0.00 30.24 29.78 3gke n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gke s SER 244 N -1.02 4.69 -0.02 1.08 1.04 -1.02 -4.96 113.70 113.49 3gke s SER 244 Ca 0.50 1.28 -0.30 0.00 0.48 0.00 0.00 55.95 57.92 3gke s SER 244 Cb 0.36 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.40 3gke s SER 244 CO 0.18 -1.84 1.40 -0.63 0.98 0.00 0.00 173.24 173.33 3gke s ILE 245 N -3.19 3.78 0.13 -1.02 1.01 -0.52 -4.92 121.20 116.47 3gke s ILE 245 Ca 0.60 1.13 -0.23 0.00 0.00 0.00 0.00 60.65 62.15 3gke s ILE 245 Cb -0.14 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.67 3gke s ILE 245 CO 0.54 -0.02 0.59 -1.38 0.00 0.00 0.00 174.94 174.66 3gke s HIS 246 N 2.64 -0.51 0.00 3.97 -3.43 -1.26 -0.87 115.29 115.83 3gke s HIS 246 Ca 0.63 0.37 0.08 0.00 -0.80 0.00 0.00 55.06 55.34 3gke s HIS 246 Cb -0.30 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.33 3gke s HIS 246 CO 0.25 -0.80 -0.24 0.45 -2.00 0.00 0.00 174.74 172.40 3gke s SER 247 N -2.58 2.84 -0.25 7.38 0.15 -0.40 -2.05 113.70 118.79 3gke s SER 247 Ca -0.00 -0.48 -0.05 0.00 0.70 0.00 0.00 55.95 56.12 3gke s SER 247 Cb -0.01 -0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.01 3gke s SER 247 CO -0.10 0.27 0.01 -0.13 1.20 0.00 0.00 173.24 174.49 3gke s ARG 248 N -0.80 3.30 -0.23 5.44 0.52 0.47 -1.72 118.95 125.94 3gke s ARG 248 Ca 0.10 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 3gke s ARG 248 Cb -0.09 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 3gke s ARG 248 CO 0.00 -0.28 0.24 0.20 0.02 0.00 0.00 175.30 175.47 3gke s GLY 249 N 1.50 2.02 -0.14 -3.53 0.00 -0.77 -0.60 107.32 105.78 3gke s GLY 249 Ca 0.04 -0.77 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 3gke s GLY 249 CO -0.01 0.53 0.96 -1.59 0.00 0.00 0.00 173.10 173.00 3gke s THR 250 N 1.14 4.79 -0.34 0.90 2.01 0.12 -1.07 115.64 123.19 3gke s THR 250 Ca 0.11 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 3gke s THR 250 Cb -0.14 -4.27 0.13 0.00 0.01 0.00 0.00 72.50 68.24 3gke s THR 250 CO 0.06 -0.02 0.21 -1.00 -0.69 0.00 0.00 174.62 173.18 3gke s HIS 251 N 2.24 0.52 -0.14 4.92 3.76 -0.30 -0.99 115.29 125.30 3gke s HIS 251 Ca 0.45 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 3gke s HIS 251 Cb -0.17 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.68 3gke s HIS 251 CO 0.14 -0.84 -0.17 0.42 -0.85 0.00 0.00 174.74 173.44 3gke s ILE 252 N 1.34 1.72 -0.05 0.60 1.01 -0.26 -1.13 121.20 124.44 3gke s ILE 252 Ca 0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3gke s ILE 252 Cb -0.21 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3gke s ILE 252 CO -0.08 0.48 0.10 -0.76 0.00 0.00 0.00 174.94 174.69 3gke s LEU 253 N 1.21 4.06 -0.07 2.97 1.43 -0.28 -0.58 118.68 127.42 3gke s LEU 253 Ca 0.00 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3gke s LEU 253 Cb -0.14 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.89 3gke s LEU 253 CO -0.07 0.32 -0.01 -0.89 0.23 0.00 0.00 176.35 175.93 3gke s THR 254 N -1.13 0.43 0.30 5.49 2.01 -0.23 -4.65 115.64 117.86 3gke s THR 254 Ca 0.20 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 3gke s THR 254 Cb -0.12 -0.58 -0.12 0.00 0.01 0.00 0.00 72.50 71.69 3gke s THR 254 CO 0.11 0.27 1.43 -2.65 -0.69 0.00 0.00 174.62 173.08 3gke n PRO 255 N 5.12 2.31 -0.03 4.92 -0.02 -1.26 -0.69 135.00 145.35 3gke n PRO 255 Ca -0.08 0.82 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 3gke n PRO 255 Cb 0.50 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3gke n PRO 255 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gke n GLU 256 N 1.41 0.17 -3.66 -0.52 2.13 -0.28 -0.55 120.64 119.35 3gke n GLU 256 Ca 0.07 0.14 -0.23 0.00 0.66 0.00 0.00 57.16 57.81 3gke n GLU 256 Cb 0.35 -0.88 -0.02 0.00 0.27 0.00 0.00 31.44 31.16 3gke n GLU 256 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gke n THR 257 N -3.14 0.00 -0.16 6.31 -2.24 -1.11 -0.71 114.28 113.24 3gke n THR 257 Ca -0.04 -1.78 0.16 0.00 -2.27 0.00 0.00 64.05 60.11 3gke n THR 257 Cb 0.16 0.10 0.51 0.00 -2.10 0.00 0.00 70.33 68.99 3gke n THR 257 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gke h GLU 258 N 0.00 0.39 -0.13 -0.78 4.57 -1.96 -3.08 114.58 113.58 3gke h GLU 258 Ca -0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3gke h GLU 258 Cb 0.99 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3gke h GLU 258 CO 0.48 0.26 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 3gke n ALA 259 N -2.53 2.53 -2.96 2.92 0.00 -1.26 -4.07 120.51 115.14 3gke n ALA 259 Ca 0.14 -2.25 -0.11 0.00 0.00 0.00 0.00 53.44 51.22 3gke n ALA 259 Cb 0.53 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 3gke n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gke s SER 260 N -2.19 -0.16 0.11 0.00 1.04 -1.07 -1.99 113.70 109.43 3gke s SER 260 Ca 0.33 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 3gke s SER 260 Cb 0.27 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3gke s SER 260 CO 0.06 -0.75 0.32 0.00 0.98 0.00 0.00 173.24 173.85 3gke s HIS 262 N -3.83 3.61 -0.17 0.00 3.76 0.14 -1.19 115.29 117.60 3gke s HIS 262 Ca 0.04 0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 55.53 3gke s HIS 262 Cb 0.03 -2.00 0.05 0.00 1.11 0.00 0.00 32.58 31.77 3gke s HIS 262 CO -0.11 0.66 -0.00 -0.47 -0.85 0.00 0.00 174.74 173.97 3gke s TYR 263 N -1.18 1.29 -0.25 1.40 6.04 0.38 -1.07 117.35 123.96 3gke s TYR 263 Ca 0.23 -0.89 -0.11 0.00 0.04 0.00 0.00 57.07 56.33 3gke s TYR 263 Cb -0.13 -1.12 -0.05 0.00 -1.04 0.00 0.00 41.96 39.62 3gke s TYR 263 CO 0.12 -0.58 0.20 -0.06 -1.54 0.00 0.00 175.55 173.69 3gke s PHE 264 N 1.77 3.28 0.18 4.97 0.08 0.25 -0.72 117.98 127.79 3gke s PHE 264 Ca 0.00 0.23 0.07 0.00 0.12 0.00 0.00 56.93 57.35 3gke s PHE 264 Cb -0.16 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3gke s PHE 264 CO -0.07 -0.03 -0.14 -0.59 -0.10 0.00 0.00 175.22 174.29 3gke s PHE 265 N 1.37 1.58 -0.08 0.36 -0.12 -0.28 -1.10 117.98 119.71 3gke s PHE 265 Ca 0.09 -0.60 -0.31 0.00 -0.05 0.00 0.00 56.93 56.06 3gke s PHE 265 Cb -0.15 -0.76 0.11 0.00 -0.63 0.00 0.00 43.02 41.59 3gke s PHE 265 CO 0.07 0.26 1.36 0.20 -0.05 0.00 0.00 175.22 177.07 3gke s GLY 266 N -3.09 -0.25 -0.05 1.99 0.00 -0.16 -1.07 107.32 104.69 3gke s GLY 266 Ca 0.19 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 45.11 3gke s GLY 266 CO 0.05 5.40 0.19 -1.35 0.00 0.00 0.00 173.10 177.38 3gke s SER 267 N -3.75 -0.14 -0.27 1.64 1.04 -0.00 0.11 113.70 112.32 3gke s SER 267 Ca 0.29 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.92 3gke s SER 267 Cb 0.01 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.53 3gke s SER 267 CO -0.03 -0.18 -0.07 -0.44 0.98 0.00 0.00 173.24 173.50 3gke s SER 268 N -0.42 4.57 0.12 7.02 0.01 0.23 -1.95 113.70 123.28 3gke s SER 268 Ca -0.05 -1.30 0.10 0.00 1.31 0.00 0.00 55.95 56.00 3gke s SER 268 Cb -0.03 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 3gke s SER 268 CO 0.01 -0.21 -0.25 0.00 0.41 0.00 0.00 173.24 173.20 3gke s ARG 269 N 1.17 1.31 -0.03 12.44 1.70 -0.35 -0.39 118.95 134.80 3gke s ARG 269 Ca -0.07 -1.28 0.16 0.00 -0.47 0.00 0.00 55.73 54.07 3gke s ARG 269 Cb -0.20 -1.72 0.49 0.00 -0.57 0.00 0.00 34.95 32.95 3gke s ARG 269 CO -0.04 0.41 1.41 0.27 -1.08 0.00 0.00 175.30 176.27 3gke n ASN 270 N 0.98 3.59 -4.31 -2.89 6.94 -0.87 -0.70 115.26 117.99 3gke n ASN 270 Ca -0.19 -2.13 -0.23 0.00 -0.02 0.00 0.00 54.58 52.01 3gke n ASN 270 Cb 0.53 -0.39 -0.12 0.00 -2.36 0.00 0.00 39.78 37.45 3gke n ASN 270 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3gke s PHE 271 N -1.23 1.82 -1.60 -2.53 -0.12 -1.26 -4.78 117.98 108.28 3gke s PHE 271 Ca 0.37 -0.44 -0.14 0.00 -0.05 0.00 0.00 56.93 56.67 3gke s PHE 271 Cb 0.21 -0.96 0.11 0.00 -0.63 0.00 0.00 43.02 41.75 3gke s PHE 271 CO 0.22 0.26 0.81 0.41 -0.05 0.00 0.00 175.22 176.88 3gke n GLY 272 N 0.74 -0.43 0.28 1.99 0.00 -1.26 -4.82 105.19 101.69 3gke n GLY 272 Ca -0.17 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.17 3gke n GLY 272 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3gke h ILE 273 N -1.76 0.16 -0.52 -0.61 3.07 -1.89 -1.76 117.51 114.21 3gke h ILE 273 Ca -0.59 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.29 3gke h ILE 273 Cb 1.38 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.38 3gke h ILE 273 CO 0.72 0.05 0.00 0.47 -1.05 0.00 0.00 178.15 178.34 3gke n ASP 274 N -3.21 3.98 -4.43 2.16 8.00 -1.26 -4.88 116.55 116.91 3gke n ASP 274 Ca -0.00 -2.33 -0.44 0.00 0.71 0.00 0.00 54.79 52.73 3gke n ASP 274 Cb 0.28 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3gke n ASP 274 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gke s ASP 275 N -1.10 6.21 0.50 -2.24 -1.08 -0.66 -4.93 116.67 113.36 3gke s ASP 275 Ca 0.41 -1.01 0.29 0.00 -0.52 0.00 0.00 52.55 51.72 3gke s ASP 275 Cb 0.26 -2.27 1.14 0.00 -1.46 0.00 0.00 42.92 40.59 3gke s ASP 275 CO 0.21 -0.84 1.91 1.55 0.52 0.00 0.00 175.17 178.51 3gke h PRO 276 N 8.95 0.00 -0.28 4.34 0.13 -1.91 -1.64 132.00 141.59 3gke h PRO 276 Ca -0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.67 3gke h PRO 276 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gke h PRO 276 CO 0.95 0.11 -0.56 0.93 -0.23 0.00 0.00 178.00 179.20 3gke h GLU 277 N 0.00 0.87 -0.75 0.86 5.08 -1.97 -1.43 114.58 117.23 3gke h GLU 277 Ca -0.00 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 3gke h GLU 277 Cb 0.62 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3gke h GLU 277 CO 0.01 1.19 0.34 1.98 -1.00 0.00 0.00 179.01 181.53 3gke h MET 278 N 0.66 1.10 -0.95 2.33 4.05 -1.83 -1.98 114.93 118.32 3gke h MET 278 Ca 0.01 -0.18 0.11 0.00 -0.28 0.00 0.00 59.70 59.37 3gke h MET 278 Cb 1.17 -0.19 -0.08 0.00 -0.80 0.00 0.00 31.60 31.70 3gke h MET 278 CO 0.12 0.88 0.58 -0.44 0.23 0.00 0.00 176.91 178.28 3gke h ASP 279 N 1.07 0.84 0.23 1.39 3.32 -1.04 -1.75 116.42 120.48 3gke h ASP 279 Ca 0.26 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3gke h ASP 279 Cb 0.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gke h ASP 279 CO -0.03 0.45 -0.11 1.23 -1.72 0.00 0.00 179.24 179.07 3gke h GLY 280 N 0.92 -0.32 1.69 2.75 0.00 -0.52 -1.06 103.07 106.54 3gke h GLY 280 Ca 0.47 0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.83 3gke h GLY 280 CO -0.26 -0.12 -0.23 -0.24 0.00 0.00 0.00 176.54 175.69 3gke h VAL 281 N -0.44 1.25 0.00 4.60 3.04 -1.23 -2.00 116.25 121.46 3gke h VAL 281 Ca -0.03 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 3gke h VAL 281 Cb 0.34 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 3gke h VAL 281 CO 0.05 0.36 0.00 0.18 -1.01 0.00 0.00 177.57 177.15 3gke n LEU 282 N -4.15 0.13 -0.57 3.16 4.77 -0.68 -2.16 117.00 117.50 3gke n LEU 282 Ca -0.00 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3gke n LEU 282 Cb 0.37 -0.49 0.33 0.00 -2.33 0.00 0.00 43.42 41.30 3gke n LEU 282 CO 0.41 -0.15 0.71 0.54 -1.33 0.00 0.00 177.39 177.56 3gke n ARG 283 N -1.63 1.64 -2.84 3.23 1.74 -0.42 -4.41 116.66 113.97 3gke n ARG 283 Ca 0.05 -1.14 -0.42 0.00 -0.77 0.00 0.00 57.85 55.58 3gke n ARG 283 Cb 0.28 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 3gke n ARG 283 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3gke s SER 284 N -2.14 7.00 0.18 0.55 0.15 -0.92 -4.72 113.70 113.79 3gke s SER 284 Ca 0.31 1.24 -0.14 0.00 0.70 0.00 0.00 55.95 58.05 3gke s SER 284 Cb 0.20 -2.48 0.15 0.00 -1.71 0.00 0.00 66.02 62.18 3gke s SER 284 CO 0.39 -0.44 1.71 -0.25 1.20 0.00 0.00 173.24 175.85 3gke h TRP 285 N 7.33 0.10 -0.01 3.44 2.91 -1.92 -0.90 115.95 126.90 3gke h TRP 285 Ca -0.28 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.63 3gke h TRP 285 Cb 1.12 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 3gke h TRP 285 CO 0.72 -0.02 -0.62 1.96 -1.03 0.00 0.00 178.44 179.45 3gke h GLN 286 N 0.19 0.03 0.00 2.65 4.20 -1.93 0.02 115.11 120.27 3gke h GLN 286 Ca 0.22 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 3gke h GLN 286 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3gke h GLN 286 CO -0.31 0.64 -0.80 0.00 -0.67 0.00 0.00 178.83 177.69 3gke h ALA 287 N 1.35 0.55 0.00 3.87 0.00 -1.77 -3.18 119.26 120.09 3gke h ALA 287 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 3gke h ALA 287 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gke h ALA 287 CO 0.08 1.00 -1.29 1.04 0.00 0.00 0.00 179.25 180.08 3gke n GLN 288 N -3.40 2.49 0.04 0.00 1.13 -0.37 -4.91 117.38 112.35 3gke n GLN 288 Ca 0.00 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3gke n GLN 288 Cb 0.82 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 30.05 3gke n GLN 288 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gke n ALA 289 N -2.05 3.00 -3.28 -1.58 0.00 -0.21 -4.98 120.51 111.41 3gke n ALA 289 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3gke n ALA 289 Cb 0.52 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.23 3gke n ALA 289 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gke s LEU 290 N -6.60 -0.90 0.58 0.00 2.96 -0.18 -5.02 118.68 109.52 3gke s LEU 290 Ca 0.00 0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.90 3gke s LEU 290 Cb 0.00 1.38 -0.04 0.00 0.50 0.00 0.00 46.19 48.03 3gke s LEU 290 CO 0.00 -0.31 1.12 0.54 -1.32 0.00 0.00 176.35 176.38 3gke s VAL 291 N 2.63 3.23 0.29 1.68 0.11 -1.20 -4.04 120.40 123.09 3gke s VAL 291 Ca 0.13 0.70 0.02 0.00 -2.93 0.00 0.00 61.98 59.90 3gke s VAL 291 Cb -0.14 -3.24 0.29 0.00 -1.53 0.00 0.00 36.38 31.76 3gke s VAL 291 CO -0.22 -0.23 1.85 0.50 -3.33 0.00 0.00 175.10 173.67 3gke h LYS 292 N 0.83 0.95 -0.29 1.54 3.64 -1.96 -0.36 116.57 120.91 3gke h LYS 292 Ca -0.49 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 3gke h LYS 292 Cb 1.25 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3gke h LYS 292 CO 0.56 0.63 -0.09 0.93 -2.27 0.00 0.00 179.45 179.21 3gke h GLU 293 N 0.98 0.48 -0.00 1.90 3.07 -2.00 -0.41 114.58 118.60 3gke h GLU 293 Ca 0.47 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 59.01 3gke h GLU 293 Cb 0.46 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3gke h GLU 293 CO -0.24 0.57 -0.86 -0.44 -1.40 0.00 0.00 179.01 176.65 3gke h ASP 294 N 0.45 0.31 -0.64 1.42 3.32 -1.46 -2.40 116.42 117.41 3gke h ASP 294 Ca 0.09 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3gke h ASP 294 Cb 0.43 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3gke h ASP 294 CO 0.02 1.03 0.26 0.50 -1.72 0.00 0.00 179.24 179.33 3gke h LYS 295 N 0.14 0.96 -0.44 3.56 3.64 -0.50 -0.51 116.57 123.43 3gke h LYS 295 Ca -0.05 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3gke h LYS 295 Cb 1.48 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 3gke h LYS 295 CO 0.14 0.81 0.26 0.28 -2.27 0.00 0.00 179.45 178.67 3gke h VAL 296 N 0.91 1.05 0.14 2.00 2.07 -1.04 -0.68 116.25 120.70 3gke h VAL 296 Ca 0.21 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3gke h VAL 296 Cb 0.21 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3gke h VAL 296 CO -0.02 0.10 -0.10 0.58 0.02 0.00 0.00 177.57 178.15 3gke h VAL 297 N 0.53 0.77 -0.06 2.57 2.07 -1.07 -0.96 116.25 120.11 3gke h VAL 297 Ca 0.18 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.57 3gke h VAL 297 Cb 0.01 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3gke h VAL 297 CO -0.08 0.00 -0.52 -0.37 0.02 0.00 0.00 177.57 176.62 3gke h VAL 298 N -0.25 1.36 -0.08 2.57 -1.51 -0.85 0.64 116.25 118.13 3gke h VAL 298 Ca -0.01 -1.79 -0.12 0.00 -1.23 0.00 0.00 66.70 63.55 3gke h VAL 298 Cb 0.22 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 3gke h VAL 298 CO -0.00 0.53 -0.50 -0.33 -1.23 0.00 0.00 177.57 176.04 3gke h GLU 299 N 0.13 0.20 -0.39 5.19 5.08 -1.09 -1.67 114.58 122.03 3gke h GLU 299 Ca 0.00 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3gke h GLU 299 Cb 0.97 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3gke h GLU 299 CO 0.08 0.65 -0.31 0.00 -1.00 0.00 0.00 179.01 178.43 3gke h ALA 300 N 1.33 0.70 -0.55 3.43 0.00 -0.42 -2.69 119.26 121.06 3gke h ALA 300 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3gke h ALA 300 Cb 0.94 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3gke h ALA 300 CO 0.07 0.67 0.30 0.82 0.00 0.00 0.00 179.25 181.11 3gke h ILE 301 N 0.73 0.99 -1.00 0.00 2.04 -0.61 -2.13 117.51 117.53 3gke h ILE 301 Ca 0.08 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3gke h ILE 301 Cb 0.88 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3gke h ILE 301 CO 0.08 0.11 0.64 -0.08 0.00 0.00 0.00 178.15 178.89 3gke h GLU 302 N 0.58 1.07 0.00 2.37 4.57 -1.15 -0.74 114.58 121.29 3gke h GLU 302 Ca 0.24 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3gke h GLU 302 Cb 0.11 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3gke h GLU 302 CO -0.14 0.71 0.00 0.00 -1.18 0.00 0.00 179.01 178.40 3gke h ARG 303 N 1.11 0.00 -0.01 1.92 3.08 -1.07 -2.22 114.38 117.18 3gke h ARG 303 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3gke h ARG 303 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gke h ARG 303 CO -0.21 0.00 -0.09 0.54 -1.07 0.00 0.00 179.97 179.14 3gke n ARG 304 N -2.62 1.43 -0.13 0.04 1.74 -0.30 -4.40 116.66 112.43 3gke n ARG 304 Ca 0.01 -0.87 -0.05 0.00 -0.77 0.00 0.00 57.85 56.17 3gke n ARG 304 Cb 0.23 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3gke n ARG 304 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gke h ARG 305 N 2.13 0.25 -0.37 5.56 2.43 -1.24 -1.29 114.38 121.87 3gke h ARG 305 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3gke h ARG 305 Cb 0.54 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3gke h ARG 305 CO 0.00 0.17 0.17 0.00 -1.51 0.00 0.00 179.97 178.80 3gke h ALA 306 N 1.30 0.45 -0.29 2.80 0.00 -1.80 -0.31 119.26 121.41 3gke h ALA 306 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3gke h ALA 306 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gke h ALA 306 CO -0.24 -0.21 0.12 -0.92 0.00 0.00 0.00 179.25 178.01 3gke h TYR 307 N 0.35 0.43 -0.59 0.00 3.20 -1.78 -1.11 116.97 117.47 3gke h TYR 307 Ca 0.16 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gke h TYR 307 Cb 0.09 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3gke h TYR 307 CO -0.11 0.42 0.38 0.28 -1.64 0.00 0.00 178.16 177.48 3gke h VAL 308 N 0.32 1.12 -0.41 1.81 2.07 -0.69 -1.88 116.25 118.59 3gke h VAL 308 Ca 0.10 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 3gke h VAL 308 Cb 0.16 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3gke h VAL 308 CO -0.01 0.14 -0.16 -0.33 0.02 0.00 0.00 177.57 177.23 3gke h GLU 309 N 0.76 0.84 -0.00 1.57 5.08 -0.96 -1.13 114.58 120.74 3gke h GLU 309 Ca 0.22 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3gke h GLU 309 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3gke h GLU 309 CO -0.07 0.98 -0.20 0.00 -1.00 0.00 0.00 179.01 178.73 3gke h ALA 310 N 0.83 1.67 -0.51 3.43 0.00 -0.95 -2.90 119.26 120.83 3gke h ALA 310 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gke h ALA 310 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gke h ALA 310 CO 0.05 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.64 3gke n ASN 311 N -4.30 3.53 -2.85 0.00 3.02 -0.73 -4.96 115.26 108.97 3gke n ASN 311 Ca -0.02 -2.10 -0.21 0.00 -0.03 0.00 0.00 54.58 52.21 3gke n ASN 311 Cb 0.26 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3gke n ASN 311 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gke n GLY 312 N 0.92 -0.51 3.73 7.41 0.00 -0.91 -4.96 105.19 110.86 3gke n GLY 312 Ca 0.18 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3gke n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gke s ILE 313 N -3.05 4.84 0.11 -0.61 1.01 -0.47 -5.05 121.20 117.98 3gke s ILE 313 Ca 0.21 1.70 0.09 0.00 0.00 0.00 0.00 60.65 62.65 3gke s ILE 313 Cb -0.10 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3gke s ILE 313 CO 0.25 0.28 -0.22 -0.13 0.00 0.00 0.00 174.94 175.13 3gke s ARG 314 N 0.46 1.69 0.55 2.79 0.52 -1.26 -4.73 118.95 118.97 3gke s ARG 314 Ca 0.42 -1.21 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 3gke s ARG 314 Cb -0.20 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 3gke s ARG 314 CO 0.23 0.48 1.15 -1.25 0.02 0.00 0.00 175.30 175.93 3gke s PRO 315 N -1.96 3.29 -0.28 3.54 0.04 -1.26 -5.02 135.00 133.36 3gke s PRO 315 Ca 0.16 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 3gke s PRO 315 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3gke s PRO 315 CO 0.08 -0.91 0.15 0.00 0.04 0.00 0.00 177.00 176.35 3gke s ALA 316 N -1.73 3.38 0.35 8.56 0.00 -1.26 -5.08 121.76 125.98 3gke s ALA 316 Ca 0.74 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 3gke s ALA 316 Cb -0.25 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 3gke s ALA 316 CO 0.28 -0.59 0.71 -1.64 0.00 0.00 0.00 175.76 174.52 3gke s MET 317 N 1.70 3.82 0.46 0.00 -1.94 -1.26 -5.08 119.30 117.01 3gke s MET 317 Ca 0.06 0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.55 3gke s MET 317 Cb -0.16 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.20 3gke s MET 317 CO 0.08 0.08 0.22 -0.51 -0.01 0.00 0.00 175.02 174.89 3gke s LEU 318 N -3.46 2.89 0.47 -0.03 1.43 -1.26 -5.03 118.68 113.69 3gke s LEU 318 Ca 0.51 -1.20 0.19 0.00 -1.03 0.00 0.00 54.13 52.60 3gke s LEU 318 Cb -0.10 -1.29 1.19 0.00 0.03 0.00 0.00 46.19 46.01 3gke s LEU 318 CO 0.26 -0.74 1.97 0.77 0.23 0.00 0.00 176.35 178.83 3gke h SER 319 N 1.22 0.22 0.15 2.29 4.64 -2.05 -1.88 113.55 118.15 3gke h SER 319 Ca -0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3gke h SER 319 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gke h SER 319 CO 0.67 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.75 3gke n ASP 321 N -1.11 2.43 0.04 0.00 8.00 -0.71 -4.63 116.55 120.57 3gke n ASP 321 Ca 0.14 -1.80 -0.10 0.00 0.71 0.00 0.00 54.79 53.74 3gke n ASP 321 Cb 0.11 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3gke n ASP 321 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gke h GLU 322 N 3.80 -0.23 -0.41 -1.24 4.81 -1.75 0.18 114.58 119.73 3gke h GLU 322 Ca 0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3gke h GLU 322 Cb 0.81 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3gke h GLU 322 CO 0.00 -0.15 0.06 0.00 -0.73 0.00 0.00 179.01 178.19 3gke h ALA 323 N 0.74 0.55 -0.96 2.92 0.00 -1.84 -2.42 119.26 118.26 3gke h ALA 323 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gke h ALA 323 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3gke h ALA 323 CO -0.18 0.28 0.64 0.00 0.00 0.00 0.00 179.25 179.98 3gke h ALA 324 N 0.93 1.31 -0.41 0.00 0.00 -1.46 -0.65 119.26 118.98 3gke h ALA 324 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3gke h ALA 324 Cb 0.39 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gke h ALA 324 CO 0.01 0.64 0.10 0.28 0.00 0.00 0.00 179.25 180.28 3gke h VAL 325 N 1.30 1.23 -0.49 0.00 2.07 -0.49 0.17 116.25 120.04 3gke h VAL 325 Ca 0.35 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3gke h VAL 325 Cb -0.15 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3gke h VAL 325 CO -0.08 0.28 0.29 0.03 0.02 0.00 0.00 177.57 178.11 3gke h ARG 326 N 0.52 0.56 -0.26 1.57 2.47 -0.93 0.03 114.38 118.35 3gke h ARG 326 Ca 0.13 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3gke h ARG 326 Cb 0.32 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3gke h ARG 326 CO 0.00 0.37 0.13 0.28 0.56 0.00 0.00 179.97 181.31 3gke h VAL 327 N 0.57 1.13 -0.80 2.04 2.07 -0.83 -1.95 116.25 118.49 3gke h VAL 327 Ca 0.20 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3gke h VAL 327 Cb 0.03 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 3gke h VAL 327 CO -0.09 0.13 0.47 -1.28 0.02 0.00 0.00 177.57 176.82 3gke h SER 328 N 0.29 0.70 -0.16 0.57 0.87 -0.32 -0.95 113.55 114.55 3gke h SER 328 Ca 0.09 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 3gke h SER 328 Cb 0.09 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3gke h SER 328 CO -0.01 0.43 -0.33 0.03 -0.53 0.00 0.00 176.83 176.42 3gke h ARG 329 N 0.83 0.66 -0.55 2.24 3.08 -0.77 -1.70 114.38 118.17 3gke h ARG 329 Ca 0.37 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3gke h ARG 329 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3gke h ARG 329 CO -0.21 0.90 0.11 0.93 -1.07 0.00 0.00 179.97 180.63 3gke h GLU 330 N 0.56 0.89 -0.73 0.04 5.08 -0.66 -1.86 114.58 117.89 3gke h GLU 330 Ca 0.06 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3gke h GLU 330 Cb 0.83 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3gke h GLU 330 CO 0.07 0.85 0.40 0.82 -1.00 0.00 0.00 179.01 180.16 3gke h ILE 331 N 0.78 1.22 -0.59 3.13 2.04 -0.96 -2.06 117.51 121.08 3gke h ILE 331 Ca 0.17 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3gke h ILE 331 Cb 0.38 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3gke h ILE 331 CO 0.01 0.25 -0.02 -0.08 0.00 0.00 0.00 178.15 178.30 3gke h GLU 332 N 1.01 1.04 -0.88 2.37 4.81 -1.05 0.12 114.58 122.00 3gke h GLU 332 Ca 0.26 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3gke h GLU 332 Cb 0.04 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 3gke h GLU 332 CO -0.04 1.03 0.58 0.87 -0.73 0.00 0.00 179.01 180.72 3gke h LYS 333 N 0.95 1.12 -0.43 1.92 1.57 -1.16 -0.53 116.57 120.01 3gke h LYS 333 Ca 0.17 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3gke h LYS 333 Cb 0.57 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3gke h LYS 333 CO 0.03 0.74 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.40 3gke h LEU 334 N 1.15 0.84 -0.60 2.94 3.38 -0.58 -0.92 115.31 121.52 3gke h LEU 334 Ca 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3gke h LEU 334 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3gke h LEU 334 CO -0.09 1.01 0.34 -0.33 0.09 0.00 0.00 178.44 179.46 3gke h GLU 335 N 0.73 0.84 -0.35 1.13 5.08 -0.64 -2.85 114.58 118.53 3gke h GLU 335 Ca 0.11 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3gke h GLU 335 Cb 0.70 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3gke h GLU 335 CO 0.05 0.63 -0.06 1.96 -1.00 0.00 0.00 179.01 180.60 3gke h GLN 336 N 0.82 0.65 -0.83 2.33 4.20 -0.57 -1.47 115.11 120.24 3gke h GLN 336 Ca 0.21 -0.24 0.13 0.00 0.06 0.00 0.00 58.65 58.82 3gke h GLN 336 Cb 0.03 -0.04 -0.14 0.00 0.30 0.00 0.00 27.48 27.62 3gke h GLN 336 CO -0.04 0.80 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.49 3gke h LEU 337 N 0.45 -1.32 -0.73 1.46 3.38 -1.15 -2.69 115.31 114.70 3gke h LEU 337 Ca 0.09 0.28 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 3gke h LEU 337 Cb 0.54 0.68 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3gke h LEU 337 CO 0.03 -0.30 -0.47 -0.33 0.09 0.00 0.00 178.44 177.47 3gke h GLU 338 N -0.07 0.40 -5.05 1.13 5.08 -1.09 -3.30 114.58 111.69 3gke h GLU 338 Ca 0.30 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3gke h GLU 338 Cb 0.58 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3gke h GLU 338 CO -0.87 0.79 0.39 0.00 -1.00 0.00 0.00 179.01 178.32 3gke n ALA 339 N -2.49 0.31 -1.61 3.43 0.00 -0.64 -5.13 120.51 114.38 3gke n ALA 339 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.61 3gke n ALA 339 Cb 0.54 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3gke n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50