#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek1 s VAL 5 N 0.00 0.00 -0.13 1.55 0.11 -1.11 -0.18 120.40 120.64 1ek1 s VAL 5 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1ek1 s VAL 5 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1ek1 s VAL 5 CO 0.00 0.00 0.32 0.00 -3.33 0.00 0.00 175.10 172.09 1ek1 s ALA 6 N -1.27 -0.79 0.19 1.54 0.00 -0.93 -0.89 121.76 119.61 1ek1 s ALA 6 Ca -0.04 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.22 1ek1 s ALA 6 Cb -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1ek1 s ALA 6 CO 0.04 -0.22 -0.18 0.00 0.00 0.00 0.00 175.76 175.39 1ek1 s ALA 7 N 1.19 2.15 0.03 0.00 0.00 -1.12 -3.15 121.76 120.86 1ek1 s ALA 7 Ca -0.08 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1ek1 s ALA 7 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ek1 s ALA 7 CO -0.09 0.22 -0.14 -0.06 0.00 0.00 0.00 175.76 175.69 1ek1 s PHE 8 N -2.27 1.21 0.81 0.00 0.40 0.70 -4.00 117.98 114.84 1ek1 s PHE 8 Ca 0.19 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 1ek1 s PHE 8 Cb -0.05 -0.73 0.08 0.00 0.51 0.00 0.00 43.02 42.84 1ek1 s PHE 8 CO 0.08 0.02 1.10 0.34 0.70 0.00 0.00 175.22 177.47 1ek1 s ASP 9 N -1.00 4.09 0.01 1.36 2.15 -1.16 -2.59 116.67 119.52 1ek1 s ASP 9 Ca 0.02 1.90 0.22 0.00 0.43 0.00 0.00 52.55 55.12 1ek1 s ASP 9 Cb -0.07 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 39.89 1ek1 s ASP 9 CO 0.01 -2.31 0.86 -0.11 -0.17 0.00 0.00 175.17 173.45 1ek1 n LEU 10 N -3.71 0.63 -4.58 -1.34 7.94 -1.26 -3.13 117.00 111.54 1ek1 n LEU 10 Ca 0.10 -0.21 -0.34 0.00 -1.11 0.00 0.00 56.01 54.45 1ek1 n LEU 10 Cb 0.53 -0.04 -0.11 0.00 0.53 0.00 0.00 43.42 44.33 1ek1 n LEU 10 CO 0.52 0.12 -0.37 -0.62 -1.11 0.00 0.00 177.39 175.94 1ek1 s ASP 11 N -3.65 4.71 0.00 1.96 2.15 -1.26 0.18 116.67 120.76 1ek1 s ASP 11 Ca 0.03 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1ek1 s ASP 11 Cb 0.15 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.52 1ek1 s ASP 11 CO 0.85 0.35 0.00 0.61 -0.17 0.00 0.00 175.17 176.81 1ek1 n GLY 12 N 2.33 2.59 0.99 2.66 0.00 -0.80 -4.32 105.19 108.64 1ek1 n GLY 12 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1ek1 n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ek1 n VAL 13 N 0.00 0.72 -0.03 1.61 0.24 -1.26 -4.74 118.33 114.86 1ek1 n VAL 13 Ca 0.00 0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 62.30 1ek1 n VAL 13 Cb 0.00 -1.58 -0.13 0.00 -1.47 0.00 0.00 33.84 30.66 1ek1 n VAL 13 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ek1 h LEU 14 N -0.04 0.23 -9.19 1.34 4.07 -1.61 -3.43 115.31 106.68 1ek1 h LEU 14 Ca -0.01 -0.77 -0.67 0.00 0.08 0.00 0.00 57.88 56.51 1ek1 h LEU 14 Cb 0.48 -0.08 -0.16 0.00 1.08 0.00 0.00 40.66 41.99 1ek1 h LEU 14 CO -0.01 1.56 -0.63 0.00 -1.08 0.00 0.00 178.44 178.28 1ek1 s ALA 15 N -2.43 3.21 0.23 1.53 0.00 0.49 -0.62 121.76 124.17 1ek1 s ALA 15 Ca -0.23 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 1ek1 s ALA 15 Cb 0.05 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.74 1ek1 s ALA 15 CO 0.70 0.52 0.89 -0.48 0.00 0.00 0.00 175.76 177.40 1ek1 s LEU 16 N -0.65 -0.13 0.34 0.00 0.05 0.22 -1.91 118.68 116.59 1ek1 s LEU 16 Ca 0.10 -0.63 -0.27 0.00 0.05 0.00 0.00 54.13 53.38 1ek1 s LEU 16 Cb -0.12 2.39 -0.09 0.00 -2.05 0.00 0.00 46.19 46.32 1ek1 s LEU 16 CO 0.02 -1.15 1.15 -2.84 -0.55 0.00 0.00 176.35 172.98 1ek1 s PRO 17 N -3.05 4.35 0.64 1.48 0.02 -1.26 0.23 135.00 137.41 1ek1 s PRO 17 Ca 0.14 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 1ek1 s PRO 17 Cb -0.03 -2.93 -0.10 0.00 0.02 0.00 0.00 34.50 31.46 1ek1 s PRO 17 CO 0.05 -0.07 -0.50 -1.13 -0.33 0.00 0.00 177.00 175.03 1ek1 n SER 18 N 0.62 -3.89 0.06 2.53 3.41 -1.26 -4.60 113.62 110.48 1ek1 n SER 18 Ca 0.02 0.14 -0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1ek1 n SER 18 Cb 0.45 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 1ek1 n SER 18 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ek1 h ILE 19 N -0.61 1.65 0.00 -1.33 1.08 -1.91 -3.35 117.51 113.03 1ek1 h ILE 19 Ca -0.29 -3.35 0.00 0.00 -0.39 0.00 0.00 64.86 60.83 1ek1 h ILE 19 Cb 0.87 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1ek1 h ILE 19 CO 0.16 0.95 0.00 0.00 -0.69 0.00 0.00 178.15 178.57 1ek1 n ALA 20 N -2.38 -0.14 -0.13 1.87 0.00 -1.26 -2.13 120.51 116.33 1ek1 n ALA 20 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1ek1 n ALA 20 Cb 0.96 0.23 0.24 0.00 0.00 0.00 0.00 19.45 20.87 1ek1 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek1 n GLY 21 N -0.92 -0.30 0.14 0.00 0.00 -1.26 0.31 105.19 103.16 1ek1 n GLY 21 Ca 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 1ek1 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek1 h ALA 22 N 0.76 0.34 0.13 4.61 0.00 -1.62 -1.60 119.26 121.89 1ek1 h ALA 22 Ca 0.34 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ek1 h ALA 22 Cb 0.92 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1ek1 h ALA 22 CO -0.29 -0.30 -0.21 0.74 0.00 0.00 0.00 179.25 179.19 1ek1 h PHE 23 N 0.23 -0.56 -0.51 0.00 0.05 0.49 -2.70 116.94 113.94 1ek1 h PHE 23 Ca 0.14 0.01 0.10 0.00 3.82 0.00 0.00 57.97 62.04 1ek1 h PHE 23 Cb 0.11 0.23 -0.09 0.00 2.00 0.00 0.00 35.95 38.20 1ek1 h PHE 23 CO -0.14 -0.31 -0.11 -0.09 -0.18 0.00 0.00 178.31 177.48 1ek1 h ARG 24 N -0.41 0.01 -1.45 1.51 9.65 -1.28 -0.58 114.38 121.83 1ek1 h ARG 24 Ca 0.02 -0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 1ek1 h ARG 24 Cb 0.42 -0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.91 1ek1 h ARG 24 CO -0.10 0.01 0.26 0.54 2.80 0.00 0.00 179.97 183.47 1ek1 n ARG 25 N -5.35 1.49 0.00 0.20 1.74 -0.63 -1.67 116.66 112.44 1ek1 n ARG 25 Ca 0.05 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 1ek1 n ARG 25 Cb 0.27 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1ek1 n ARG 25 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ek1 n SER 26 N 0.47 0.25 0.00 0.55 7.64 -0.84 -3.56 113.62 118.13 1ek1 n SER 26 Ca 0.20 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.10 1ek1 n SER 26 Cb 0.66 0.03 0.11 0.00 -1.01 0.00 0.00 64.21 64.00 1ek1 n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ek1 n GLU 27 N -0.43 0.99 0.00 1.43 1.02 -0.28 -1.83 120.64 121.54 1ek1 n GLU 27 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ek1 n GLU 27 Cb 0.02 -1.06 -0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1ek1 n GLU 27 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ek1 n GLU 28 N -0.56 0.02 0.18 3.49 -0.58 -0.91 -4.61 120.64 117.67 1ek1 n GLU 28 Ca 0.03 0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 1ek1 n GLU 28 Cb 0.01 -0.23 0.12 0.00 -0.57 0.00 0.00 31.44 30.78 1ek1 n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ek1 h ALA 29 N -0.57 1.43 -2.79 0.62 0.00 -1.58 -3.39 119.26 112.98 1ek1 h ALA 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ek1 h ALA 29 Cb 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.63 1ek1 h ALA 29 CO 0.00 -0.43 -0.70 -0.51 0.00 0.00 0.00 179.25 177.61 1ek1 s LEU 30 N -3.79 2.32 0.03 0.00 1.43 -0.76 -5.03 118.68 112.89 1ek1 s LEU 30 Ca -0.01 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1ek1 s LEU 30 Cb 0.01 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 1ek1 s LEU 30 CO 0.04 -0.36 0.69 0.00 0.23 0.00 0.00 176.35 176.95 1ek1 n ALA 31 N 1.09 -0.14 0.00 4.21 0.00 -1.26 -4.61 120.51 119.81 1ek1 n ALA 31 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ek1 n ALA 31 Cb 0.57 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1ek1 n ALA 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ek1 n LEU 32 N -3.39 0.00 -4.77 0.00 4.32 -1.26 -4.80 117.00 107.10 1ek1 n LEU 32 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.63 1ek1 n LEU 32 Cb 0.06 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1ek1 n LEU 32 CO -0.03 0.00 0.80 -2.84 -1.22 0.00 0.00 177.39 174.10 1ek1 s PRO 33 N 0.00 3.85 -0.07 3.23 0.02 -1.26 -4.64 135.00 136.13 1ek1 s PRO 33 Ca 0.00 1.70 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 1ek1 s PRO 33 Cb 0.00 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 32.07 1ek1 s PRO 33 CO 0.00 -0.46 0.25 0.54 -0.33 0.00 0.00 177.00 177.01 1ek1 n ARG 34 N -0.41 0.00 -0.37 5.54 3.00 -1.26 -0.19 116.66 122.97 1ek1 n ARG 34 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 1ek1 n ARG 34 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1ek1 n ARG 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ek1 n ASP 35 N 0.74 0.00 -0.05 0.55 4.64 -1.26 -4.93 116.55 116.24 1ek1 n ASP 35 Ca 0.06 0.00 -0.08 0.00 -1.38 0.00 0.00 54.79 53.38 1ek1 n ASP 35 Cb -0.01 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.05 1ek1 n ASP 35 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1ek1 h PHE 36 N 0.00 -0.65 0.15 -0.67 3.57 -0.90 0.62 116.94 119.06 1ek1 h PHE 36 Ca 0.00 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 1ek1 h PHE 36 Cb 0.00 0.32 0.02 0.00 2.79 0.00 0.00 35.95 39.08 1ek1 h PHE 36 CO 0.00 -0.32 -0.99 -0.07 -2.23 0.00 0.00 178.31 174.70 1ek1 h LEU 37 N -0.25 0.51 -0.09 0.59 3.38 -1.89 -3.36 115.31 114.20 1ek1 h LEU 37 Ca 0.13 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 57.18 1ek1 h LEU 37 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ek1 h LEU 37 CO -0.38 1.47 -0.01 0.25 0.09 0.00 0.00 178.44 179.85 1ek1 h LEU 38 N -0.29 -0.06 -0.53 1.67 6.46 -1.82 -2.88 115.31 117.86 1ek1 h LEU 38 Ca -0.18 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1ek1 h LEU 38 Cb 1.73 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.69 1ek1 h LEU 38 CO 0.16 -0.02 0.70 0.61 -0.62 0.00 0.00 178.44 179.27 1ek1 n GLY 39 N -1.13 -0.42 0.15 3.75 0.00 0.20 0.92 105.19 108.65 1ek1 n GLY 39 Ca -0.05 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1ek1 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek1 h ALA 40 N 0.26 -0.30 0.17 4.61 0.00 -1.73 -3.34 119.26 118.93 1ek1 h ALA 40 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ek1 h ALA 40 Cb 1.65 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1ek1 h ALA 40 CO -0.00 -0.63 -0.08 -0.92 0.00 0.00 0.00 179.25 177.62 1ek1 h TYR 41 N -0.39 -0.21 -3.69 0.00 3.20 0.31 -3.45 116.97 112.75 1ek1 h TYR 41 Ca -0.03 -0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.20 1ek1 h TYR 41 Cb 0.30 0.07 -0.15 0.00 1.54 0.00 0.00 36.73 38.49 1ek1 h TYR 41 CO -0.04 0.21 -0.21 -1.14 -1.64 0.00 0.00 178.16 175.34 1ek1 s GLN 42 N -3.26 3.85 0.07 1.82 0.74 -0.94 -4.92 119.66 117.02 1ek1 s GLN 42 Ca -0.12 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1ek1 s GLN 42 Cb 0.00 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1ek1 s GLN 42 CO 0.44 -0.40 0.00 0.25 -0.55 0.00 0.00 175.29 175.03 1ek1 n THR 43 N 5.20 0.00 0.00 -0.34 -2.24 -1.26 -3.88 114.28 111.76 1ek1 n THR 43 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1ek1 n THR 43 Cb 0.50 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1ek1 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ek1 n GLU 44 N -2.69 0.00 -3.63 -0.78 1.02 -1.26 -4.95 120.64 108.34 1ek1 n GLU 44 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1ek1 n GLU 44 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1ek1 n GLU 44 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1ek1 s PHE 45 N 0.00 3.48 0.08 -0.32 -0.12 -1.26 -4.57 117.98 115.28 1ek1 s PHE 45 Ca 0.00 -2.56 -0.30 0.00 -0.05 0.00 0.00 56.93 54.01 1ek1 s PHE 45 Cb 0.00 -3.33 -0.06 0.00 -0.63 0.00 0.00 43.02 39.00 1ek1 s PHE 45 CO 0.00 -0.87 1.11 -1.25 -0.05 0.00 0.00 175.22 174.16 1ek1 s PRO 46 N -0.04 4.52 0.06 1.99 0.04 -1.26 -5.07 135.00 135.23 1ek1 s PRO 46 Ca 0.17 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 1ek1 s PRO 46 Cb -0.18 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.05 1ek1 s PRO 46 CO -0.05 -0.10 0.45 -2.00 0.04 0.00 0.00 177.00 175.35 1ek1 s GLU 47 N 0.61 0.99 0.40 4.56 -6.30 -1.26 -4.93 118.70 112.77 1ek1 s GLU 47 Ca 0.54 -0.36 0.00 0.00 -2.50 0.00 0.00 54.97 52.65 1ek1 s GLU 47 Cb -0.27 0.44 0.00 0.00 0.00 0.00 0.00 34.13 34.30 1ek1 s GLU 47 CO 0.30 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1ek1 n GLY 48 N 0.36 0.97 0.13 -1.50 0.00 -1.26 -4.19 105.19 99.70 1ek1 n GLY 48 Ca -0.18 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.40 1ek1 n GLY 48 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ek1 h PRO 49 N 0.00 0.36 0.00 1.61 0.11 -1.99 -3.05 132.00 129.04 1ek1 h PRO 49 Ca 0.00 -0.50 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1ek1 h PRO 49 Cb 0.00 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1ek1 h PRO 49 CO 0.00 1.19 -0.59 1.79 -0.21 0.00 0.00 178.00 180.18 1ek1 h THR 50 N -0.23 1.31 0.00 -1.15 1.35 -1.89 -2.95 112.91 109.35 1ek1 h THR 50 Ca -0.12 -2.11 -0.05 0.00 -0.55 0.00 0.00 66.41 63.59 1ek1 h THR 50 Cb 1.52 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 70.11 1ek1 h THR 50 CO 0.14 0.58 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.69 1ek1 h GLU 51 N 0.00 0.00 0.00 4.72 4.22 -1.73 0.79 114.58 122.58 1ek1 h GLU 51 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ek1 h GLU 51 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ek1 h GLU 51 CO 0.08 0.22 -0.38 1.96 -2.18 0.00 0.00 179.01 178.71 1ek1 h GLN 52 N 0.00 0.00 0.00 1.92 1.08 -1.41 -3.07 115.11 113.63 1ek1 h GLN 52 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ek1 h GLN 52 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1ek1 h GLN 52 CO 0.03 0.00 -0.08 1.25 -0.95 0.00 0.00 178.83 179.08 1ek1 h LEU 53 N 0.00 0.00 -0.94 1.46 6.46 -1.03 0.25 115.31 121.52 1ek1 h LEU 53 Ca 0.00 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.99 1ek1 h LEU 53 Cb 0.82 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.62 1ek1 h LEU 53 CO 0.00 0.31 0.47 0.24 -0.62 0.00 0.00 178.44 178.84 1ek1 h MET 54 N -0.54 0.45 0.00 1.25 2.86 -1.07 0.69 114.93 118.58 1ek1 h MET 54 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ek1 h MET 54 Cb 0.08 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1ek1 h MET 54 CO 0.00 0.30 0.00 0.87 1.06 0.00 0.00 176.91 179.14 1ek1 h LYS 55 N 0.47 0.00 -3.02 1.72 1.57 -1.68 0.33 116.57 115.97 1ek1 h LYS 55 Ca 0.60 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.26 1ek1 h LYS 55 Cb 1.14 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.50 1ek1 h LYS 55 CO -0.51 0.00 -0.25 0.41 -0.57 0.00 0.00 179.45 178.53 1ek1 n GLY 56 N 0.39 0.27 0.12 3.86 0.00 0.24 -4.34 105.19 105.73 1ek1 n GLY 56 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1ek1 n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ek1 n LYS 57 N -2.03 0.69 -4.22 1.61 4.76 0.87 -4.94 118.16 114.90 1ek1 n LYS 57 Ca -0.06 0.18 -0.17 0.00 -2.87 0.00 0.00 58.31 55.39 1ek1 n LYS 57 Cb 0.54 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 1ek1 n LYS 57 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1ek1 s ILE 58 N -2.54 0.63 0.00 -0.18 -4.36 -1.17 -5.07 121.20 108.51 1ek1 s ILE 58 Ca -0.20 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1ek1 s ILE 58 Cb 0.07 -0.58 0.00 0.00 1.25 0.00 0.00 42.46 43.21 1ek1 s ILE 58 CO 0.74 0.01 0.00 0.35 0.24 0.00 0.00 174.94 176.28 1ek1 n THR 59 N 2.42 0.00 -0.01 8.37 -2.24 -1.26 -4.49 114.28 117.07 1ek1 n THR 59 Ca -0.16 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 1ek1 n THR 59 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 1ek1 n THR 59 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ek1 n PHE 60 N -2.33 1.07 -0.33 4.78 7.35 -1.07 -3.60 117.46 123.34 1ek1 n PHE 60 Ca 0.00 0.27 -0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1ek1 n PHE 60 Cb 0.00 -1.16 0.13 0.00 0.35 0.00 0.00 39.48 38.81 1ek1 n PHE 60 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ek1 h SER 61 N 0.05 0.96 0.20 -2.13 0.02 -1.93 0.23 113.55 110.95 1ek1 h SER 61 Ca -0.40 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1ek1 h SER 61 Cb 2.03 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 64.32 1ek1 h SER 61 CO 0.07 0.64 -0.53 -0.61 -1.14 0.00 0.00 176.83 175.26 1ek1 h GLN 62 N 1.11 -0.78 0.00 3.45 4.15 -1.93 -1.31 115.11 119.80 1ek1 h GLN 62 Ca 0.38 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1ek1 h GLN 62 Cb 0.07 0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1ek1 h GLN 62 CO -0.14 -0.52 0.06 1.87 -1.93 0.00 0.00 178.83 178.17 1ek1 n TRP 63 N -5.50 0.00 -0.02 3.99 -0.00 0.78 -2.39 117.44 114.30 1ek1 n TRP 63 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.40 1ek1 n TRP 63 Cb 0.43 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.31 31.69 1ek1 n TRP 63 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ek1 h VAL 64 N 0.00 0.00 -0.85 5.87 2.07 -0.70 -2.75 116.25 119.88 1ek1 h VAL 64 Ca 0.00 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1ek1 h VAL 64 Cb 0.12 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 1ek1 h VAL 64 CO 0.00 0.00 -0.39 -0.65 0.02 0.00 0.00 177.57 176.55 1ek1 h PRO 65 N -0.25 -0.06 -0.54 1.57 0.11 -1.58 0.17 132.00 131.41 1ek1 h PRO 65 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1ek1 h PRO 65 Cb 0.09 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1ek1 h PRO 65 CO 0.00 -0.04 0.35 -0.07 -0.21 0.00 0.00 178.00 178.03 1ek1 h LEU 66 N -0.07 0.64 0.00 2.35 -0.00 -1.72 -2.64 115.31 113.86 1ek1 h LEU 66 Ca 0.29 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.11 1ek1 h LEU 66 Cb 0.57 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1ek1 h LEU 66 CO -0.88 0.48 -0.42 0.24 -0.00 0.00 0.00 178.44 177.86 1ek1 h MET 67 N 0.73 0.00 0.16 1.13 2.86 -1.08 -0.58 114.93 118.16 1ek1 h MET 67 Ca 0.20 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1ek1 h MET 67 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1ek1 h MET 67 CO -0.04 0.08 -0.08 -0.44 1.06 0.00 0.00 176.91 177.49 1ek1 h ASP 68 N 0.00 -0.18 0.00 1.22 3.32 -0.51 -1.87 116.42 118.40 1ek1 h ASP 68 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ek1 h ASP 68 Cb 1.08 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ek1 h ASP 68 CO 0.01 -0.12 0.13 -0.62 -1.72 0.00 0.00 179.24 176.92 1ek1 n GLU 69 N -2.61 0.00 0.04 3.56 4.71 -1.01 0.97 120.64 126.29 1ek1 n GLU 69 Ca -0.03 0.34 -0.11 0.00 -0.01 0.00 0.00 57.16 57.35 1ek1 n GLU 69 Cb 0.08 -1.63 -0.13 0.00 -1.01 0.00 0.00 31.44 28.75 1ek1 n GLU 69 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1ek1 h SER 70 N 0.00 0.15 0.01 1.62 0.87 -0.63 -3.31 113.55 112.27 1ek1 h SER 70 Ca 0.00 -0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.17 1ek1 h SER 70 Cb 0.27 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ek1 h SER 70 CO 0.00 1.18 -0.69 1.88 -0.53 0.00 0.00 176.83 178.67 1ek1 h TYR 71 N 0.03 0.67 -1.22 2.24 0.05 0.14 -3.09 116.97 115.78 1ek1 h TYR 71 Ca -0.18 -0.37 0.35 0.00 0.05 0.00 0.00 58.73 58.58 1ek1 h TYR 71 Cb 1.94 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 39.56 1ek1 h TYR 71 CO 0.02 1.20 1.03 -0.09 -1.05 0.00 0.00 178.16 179.28 1ek1 h ARG 72 N -0.05 0.00 0.00 4.88 2.43 -1.44 -0.02 114.38 120.17 1ek1 h ARG 72 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ek1 h ARG 72 Cb 1.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1ek1 h ARG 72 CO 0.14 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.23 1ek1 n LYS 73 N -3.79 0.00 0.00 0.20 4.01 -1.17 -2.77 118.16 114.64 1ek1 n LYS 73 Ca 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1ek1 n LYS 73 Cb 1.42 -0.83 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 1ek1 n LYS 73 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ek1 n SER 74 N -0.34 0.00 0.00 4.39 7.64 -0.58 -3.57 113.62 121.15 1ek1 n SER 74 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ek1 n SER 74 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ek1 n SER 74 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ek1 n SER 75 N -0.70 0.00 0.15 6.43 3.41 -0.13 -4.41 113.62 118.38 1ek1 n SER 75 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1ek1 n SER 75 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 1ek1 n SER 75 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ek1 h LYS 76 N 0.00 0.00 -6.20 4.33 1.63 -1.65 -3.26 116.57 111.42 1ek1 h LYS 76 Ca 0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 1ek1 h LYS 76 Cb 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.53 1ek1 h LYS 76 CO 0.00 0.00 0.87 0.00 -3.45 0.00 0.00 179.45 176.87 1ek1 s ALA 77 N -4.45 2.96 0.00 5.00 0.00 -1.23 -3.92 121.76 120.11 1ek1 s ALA 77 Ca -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ek1 s ALA 77 Cb 0.13 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1ek1 s ALA 77 CO 0.46 -2.85 0.00 0.00 0.00 0.00 0.00 175.76 173.37 1ek1 n GLY 79 N -0.46 -3.32 0.16 0.00 0.00 -1.25 -4.83 105.19 95.50 1ek1 n GLY 79 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ek1 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek1 n ALA 80 N -1.16 -0.62 -3.21 4.61 0.00 -1.26 -4.48 120.51 114.37 1ek1 n ALA 80 Ca 0.00 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1ek1 n ALA 80 Cb 0.03 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1ek1 n ALA 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ek1 s ASN 81 N -3.37 5.42 -0.29 0.00 3.84 -1.26 -2.15 114.94 117.13 1ek1 s ASN 81 Ca 0.00 -1.22 -0.04 0.00 0.21 0.00 0.00 52.86 51.80 1ek1 s ASN 81 Cb 0.00 -1.91 0.03 0.00 -0.55 0.00 0.00 41.25 38.82 1ek1 s ASN 81 CO 0.00 -0.38 0.03 -0.22 -2.79 0.00 0.00 177.10 173.74 1ek1 s LEU 82 N 1.41 3.73 0.27 3.21 2.96 -1.26 -4.45 118.68 124.56 1ek1 s LEU 82 Ca -0.00 -0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 52.77 1ek1 s LEU 82 Cb -0.20 -1.79 -0.15 0.00 0.50 0.00 0.00 46.19 44.56 1ek1 s LEU 82 CO 0.03 -0.21 0.27 -0.81 -1.32 0.00 0.00 176.35 174.31 1ek1 n PRO 83 N 4.76 0.00 0.03 0.98 -0.04 -1.26 -4.63 135.00 134.84 1ek1 n PRO 83 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 1ek1 n PRO 83 Cb 0.46 -0.89 -0.01 0.00 -0.04 0.00 0.00 33.50 33.02 1ek1 n PRO 83 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ek1 h GLU 84 N 0.58 -0.09 -5.83 0.54 3.07 -2.04 -3.34 114.58 107.48 1ek1 h GLU 84 Ca -0.29 0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.05 1ek1 h GLU 84 Cb 1.29 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.15 1ek1 h GLU 84 CO 0.46 -0.06 1.54 1.21 -1.40 0.00 0.00 179.01 180.77 1ek1 s ASN 85 N -2.81 6.11 0.10 1.42 2.47 -1.26 -4.87 114.94 116.11 1ek1 s ASN 85 Ca -0.01 -1.72 0.02 0.00 0.42 0.00 0.00 52.86 51.57 1ek1 s ASN 85 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 1ek1 s ASN 85 CO 0.04 -1.90 -0.08 0.12 -3.72 0.00 0.00 177.10 171.56 1ek1 s PHE 86 N 6.73 0.96 0.29 0.43 5.36 -1.25 -5.18 117.98 125.32 1ek1 s PHE 86 Ca 0.57 -0.82 -0.19 0.00 -0.96 0.00 0.00 56.93 55.53 1ek1 s PHE 86 Cb 0.00 -0.54 0.06 0.00 -0.34 0.00 0.00 43.02 42.21 1ek1 s PHE 86 CO 0.02 -0.09 0.88 0.45 -1.46 0.00 0.00 175.22 175.02 1ek1 s SER 87 N -2.87 -0.04 0.00 6.13 0.15 -1.26 -5.03 113.70 110.79 1ek1 s SER 87 Ca 0.10 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1ek1 s SER 87 Cb 0.03 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1ek1 s SER 87 CO -0.03 -1.38 0.06 0.00 1.20 0.00 0.00 173.24 173.09 1ek1 n ILE 88 N -0.57 0.00 0.00 6.45 3.06 -1.26 -4.96 119.36 122.08 1ek1 n ILE 88 Ca -0.06 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1ek1 n ILE 88 Cb 0.60 1.30 0.00 0.00 0.54 0.00 0.00 39.64 42.08 1ek1 n ILE 88 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1ek1 n SER 89 N -0.16 0.00 -1.60 9.51 2.88 -1.26 -3.32 113.62 119.67 1ek1 n SER 89 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ek1 n SER 89 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1ek1 n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ek1 n GLN 90 N 0.00 0.47 -0.95 -1.46 10.64 -1.26 -1.53 117.38 123.29 1ek1 n GLN 90 Ca 0.00 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.20 1ek1 n GLN 90 Cb 0.00 -1.27 0.04 0.00 -0.86 0.00 0.00 30.24 28.15 1ek1 n GLN 90 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1ek1 n ILE 91 N 1.55 0.34 0.01 -0.39 3.06 -1.21 -4.34 119.36 118.38 1ek1 n ILE 91 Ca 0.00 -0.94 0.00 0.00 -2.50 0.00 0.00 62.75 59.31 1ek1 n ILE 91 Cb 0.23 0.61 0.00 0.00 0.54 0.00 0.00 39.64 41.03 1ek1 n ILE 91 CO 0.00 0.00 0.00 0.33 -2.50 0.00 0.00 176.55 174.38 1ek1 n PHE 92 N 0.03 -2.41 0.96 9.51 -0.00 -0.58 -4.50 117.46 120.47 1ek1 n PHE 92 Ca 0.06 0.10 0.04 0.00 -0.00 0.00 0.00 57.45 57.65 1ek1 n PHE 92 Cb 0.91 0.71 0.26 0.00 -0.00 0.00 0.00 39.48 41.36 1ek1 n PHE 92 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1ek1 n SER 93 N -2.56 0.00 -0.05 -2.13 3.41 -0.65 -0.99 113.62 110.65 1ek1 n SER 93 Ca 0.00 -0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.83 1ek1 n SER 93 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1ek1 n SER 93 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1ek1 n GLN 94 N -0.78 0.24 0.26 4.33 -0.06 -1.26 -4.08 117.38 116.03 1ek1 n GLN 94 Ca 0.07 0.08 0.17 0.00 -2.00 0.00 0.00 57.00 55.32 1ek1 n GLN 94 Cb 0.03 -1.03 0.78 0.00 -4.06 0.00 0.00 30.24 25.96 1ek1 n GLN 94 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ek1 h ALA 95 N -0.21 1.00 0.04 1.69 0.00 -1.70 -1.32 119.26 118.76 1ek1 h ALA 95 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 1ek1 h ALA 95 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1ek1 h ALA 95 CO -0.11 0.00 -1.43 1.98 0.00 0.00 0.00 179.25 179.70 1ek1 h MET 96 N 0.00 0.07 0.00 0.00 1.85 -1.30 -3.21 114.93 112.34 1ek1 h MET 96 Ca 0.00 -0.13 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1ek1 h MET 96 Cb 0.33 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1ek1 h MET 96 CO 0.00 1.06 0.00 0.00 -0.40 0.00 0.00 176.91 177.57 1ek1 n ALA 97 N -3.29 1.14 0.19 0.39 0.00 -1.16 -0.88 120.51 116.91 1ek1 n ALA 97 Ca -0.31 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1ek1 n ALA 97 Cb 0.78 -1.30 0.22 0.00 0.00 0.00 0.00 19.45 19.15 1ek1 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek1 n ALA 98 N -1.75 2.41 -2.88 0.00 0.00 -0.51 -4.89 120.51 112.89 1ek1 n ALA 98 Ca -0.01 -1.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.04 1ek1 n ALA 98 Cb 0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 1ek1 n ALA 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ek1 s ARG 99 N -1.39 3.86 0.51 0.00 1.70 -0.06 -4.49 118.95 119.08 1ek1 s ARG 99 Ca 0.39 -0.40 0.04 0.00 -0.47 0.00 0.00 55.73 55.29 1ek1 s ARG 99 Cb 0.23 -3.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.36 1ek1 s ARG 99 CO 0.31 0.11 0.21 -1.54 -1.08 0.00 0.00 175.30 173.31 1ek1 s SER 100 N 0.81 4.39 0.25 -2.89 1.04 0.62 -4.74 113.70 113.18 1ek1 s SER 100 Ca 0.03 -1.40 -0.30 0.00 0.48 0.00 0.00 55.95 54.77 1ek1 s SER 100 Cb -0.14 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 1ek1 s SER 100 CO 0.02 -0.93 1.12 -0.63 0.98 0.00 0.00 173.24 173.80 1ek1 s ILE 101 N -2.80 3.53 -1.31 -1.02 1.01 -1.26 -0.61 121.20 118.73 1ek1 s ILE 101 Ca 0.23 1.47 -0.17 0.00 0.00 0.00 0.00 60.65 62.18 1ek1 s ILE 101 Cb 0.00 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ek1 s ILE 101 CO 0.14 0.32 1.91 -3.20 0.00 0.00 0.00 174.94 174.11 1ek1 n ASN 102 N 1.52 4.37 -0.04 3.58 5.15 0.21 -4.87 115.26 125.17 1ek1 n ASN 102 Ca 0.00 -2.87 -0.01 0.00 -0.60 0.00 0.00 54.58 51.10 1ek1 n ASN 102 Cb 0.45 -1.69 -0.01 0.00 -0.53 0.00 0.00 39.78 37.99 1ek1 n ASN 102 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ek1 n ARG 103 N 7.65 -0.04 -0.34 1.20 5.12 -1.26 0.25 116.66 129.25 1ek1 n ARG 103 Ca 0.50 0.30 0.15 0.00 -1.93 0.00 0.00 57.85 56.86 1ek1 n ARG 103 Cb 0.44 -0.44 0.35 0.00 -1.16 0.00 0.00 32.46 31.64 1ek1 n ARG 103 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1ek1 h PRO 104 N 0.00 0.59 0.60 5.56 0.11 -1.93 -1.91 132.00 135.03 1ek1 h PRO 104 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1ek1 h PRO 104 Cb 0.04 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.02 1ek1 h PRO 104 CO -0.09 0.39 -0.29 0.52 -0.21 0.00 0.00 178.00 178.33 1ek1 h MET 105 N 0.61 -0.78 -0.89 1.05 2.86 -0.51 -1.62 114.93 115.65 1ek1 h MET 105 Ca 0.61 0.05 0.24 0.00 -2.06 0.00 0.00 59.70 58.54 1ek1 h MET 105 Cb 1.08 0.18 -0.15 0.00 0.06 0.00 0.00 31.60 32.76 1ek1 h MET 105 CO -0.45 -0.52 0.12 1.25 1.06 0.00 0.00 176.91 178.37 1ek1 h LEU 106 N -0.86 -0.24 -0.16 1.22 6.46 -1.26 0.60 115.31 121.08 1ek1 h LEU 106 Ca -0.08 0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1ek1 h LEU 106 Cb 0.62 0.36 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 1ek1 h LEU 106 CO 0.14 -0.24 -0.22 -0.61 -0.62 0.00 0.00 178.44 176.89 1ek1 h GLN 107 N 0.11 -0.25 0.00 1.25 5.75 -1.17 0.13 115.11 120.93 1ek1 h GLN 107 Ca 0.55 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 59.03 1ek1 h GLN 107 Cb 1.10 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1ek1 h GLN 107 CO -0.75 -0.17 -0.15 0.00 -2.65 0.00 0.00 178.83 175.11 1ek1 h ALA 108 N 0.75 1.45 -0.22 3.38 0.00 0.55 -1.06 119.26 124.10 1ek1 h ALA 108 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1ek1 h ALA 108 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ek1 h ALA 108 CO -0.31 0.18 -0.22 0.00 0.00 0.00 0.00 179.25 178.90 1ek1 h ALA 109 N 1.85 0.33 -0.12 0.00 0.00 0.25 -3.11 119.26 118.46 1ek1 h ALA 109 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1ek1 h ALA 109 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ek1 h ALA 109 CO 0.02 0.29 -0.50 0.82 0.00 0.00 0.00 179.25 179.88 1ek1 h ILE 110 N 0.24 1.34 0.00 0.00 2.04 -0.41 -3.21 117.51 117.51 1ek1 h ILE 110 Ca 0.04 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1ek1 h ILE 110 Cb 0.78 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1ek1 h ILE 110 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1ek1 n ALA 111 N -2.48 -0.13 0.24 1.87 0.00 -0.45 -0.92 120.51 118.64 1ek1 n ALA 111 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1ek1 n ALA 111 Cb 0.55 0.28 0.11 0.00 0.00 0.00 0.00 19.45 20.39 1ek1 n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ek1 n LEU 112 N -2.13 0.00 -0.00 0.00 4.32 -1.20 0.87 117.00 118.86 1ek1 n LEU 112 Ca 0.00 0.05 -0.22 0.00 -0.02 0.00 0.00 56.01 55.82 1ek1 n LEU 112 Cb 0.00 -0.05 -0.14 0.00 -1.62 0.00 0.00 43.42 41.62 1ek1 n LEU 112 CO 0.00 -0.04 -0.67 0.50 -1.22 0.00 0.00 177.39 175.96 1ek1 h LYS 113 N 0.00 0.24 0.04 3.23 3.11 -1.29 1.19 116.57 123.09 1ek1 h LYS 113 Ca 0.00 -0.41 -0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1ek1 h LYS 113 Cb 0.01 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1ek1 h LYS 113 CO 0.00 1.20 -0.02 -0.22 -2.81 0.00 0.00 179.45 177.60 1ek1 h LYS 114 N -0.14 -0.05 0.00 1.90 3.64 0.16 -2.17 116.57 119.91 1ek1 h LYS 114 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1ek1 h LYS 114 Cb 1.90 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1ek1 h LYS 114 CO 0.05 0.25 0.00 1.17 -2.27 0.00 0.00 179.45 178.66 1ek1 n LYS 115 N -4.97 0.14 -0.42 1.90 4.81 0.25 -4.88 118.16 114.99 1ek1 n LYS 115 Ca -0.08 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1ek1 n LYS 115 Cb 0.18 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1ek1 n LYS 115 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ek1 n GLY 116 N -0.84 0.90 3.61 3.14 0.00 -0.71 -5.00 105.19 106.29 1ek1 n GLY 116 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1ek1 n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ek1 s PHE 117 N -2.28 1.86 -0.14 1.61 0.40 0.40 -3.83 117.98 116.00 1ek1 s PHE 117 Ca 0.00 -1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 55.18 1ek1 s PHE 117 Cb 0.00 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1ek1 s PHE 117 CO 0.00 -0.04 -0.00 0.95 0.70 0.00 0.00 175.22 176.83 1ek1 s THR 118 N -3.06 4.25 0.14 0.64 -4.23 0.75 -4.64 115.64 109.48 1ek1 s THR 118 Ca 0.18 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1ek1 s THR 118 Cb 0.03 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1ek1 s THR 118 CO 0.10 0.52 0.00 0.42 -0.54 0.00 0.00 174.62 175.13 1ek1 s THR 119 N -0.04 3.85 0.29 3.99 -4.23 -1.26 -2.18 115.64 116.05 1ek1 s THR 119 Ca 0.03 -1.25 -0.15 0.00 -1.18 0.00 0.00 61.69 59.15 1ek1 s THR 119 Cb -0.13 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 70.87 1ek1 s THR 119 CO 0.02 -0.02 0.76 0.00 -0.54 0.00 0.00 174.62 174.84 1ek1 s ILE 121 N -2.19 -0.19 -0.42 0.00 -4.36 -1.15 -0.21 121.20 112.67 1ek1 s ILE 121 Ca 0.16 0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.83 1ek1 s ILE 121 Cb -0.04 -0.28 0.11 0.00 1.25 0.00 0.00 42.46 43.51 1ek1 s ILE 121 CO 0.09 0.12 0.21 0.54 0.24 0.00 0.00 174.94 176.14 1ek1 s VAL 122 N 1.92 3.16 0.25 8.37 0.11 -1.07 -2.62 120.40 130.52 1ek1 s VAL 122 Ca -0.01 -2.22 0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1ek1 s VAL 122 Cb -0.12 -3.17 -0.05 0.00 -1.53 0.00 0.00 36.38 31.51 1ek1 s VAL 122 CO -0.06 -0.70 -0.21 0.28 -3.33 0.00 0.00 175.10 171.08 1ek1 s THR 123 N 0.95 2.40 -1.08 5.04 -1.32 -1.05 -4.34 115.64 116.25 1ek1 s THR 123 Ca 0.10 -2.27 -0.16 0.00 -1.21 0.00 0.00 61.69 58.15 1ek1 s THR 123 Cb -0.22 -2.22 0.16 0.00 -1.51 0.00 0.00 72.50 68.71 1ek1 s THR 123 CO -0.05 -0.31 1.27 0.20 -2.21 0.00 0.00 174.62 173.52 1ek1 s ASN 124 N -3.20 6.90 0.24 8.08 0.01 -1.26 -0.21 114.94 125.49 1ek1 s ASN 124 Ca 0.26 -2.64 0.00 0.00 -0.71 0.00 0.00 52.86 49.78 1ek1 s ASN 124 Cb -0.06 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1ek1 s ASN 124 CO 0.13 -0.84 0.00 -3.20 -1.51 0.00 0.00 177.10 171.68 1ek1 n ASN 125 N 5.79 0.00 -3.60 -1.22 2.85 -1.26 -4.86 115.26 112.96 1ek1 n ASN 125 Ca 0.30 -0.34 -0.04 0.00 -0.11 0.00 0.00 54.58 54.39 1ek1 n ASN 125 Cb 0.45 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.46 1ek1 n ASN 125 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1ek1 s TRP 126 N 0.27 -0.16 0.08 1.20 -2.14 -1.26 -3.84 118.94 113.08 1ek1 s TRP 126 Ca 0.00 0.05 -0.19 0.00 2.66 0.00 0.00 56.10 58.62 1ek1 s TRP 126 Cb 0.00 0.54 -0.07 0.00 -3.10 0.00 0.00 33.47 30.84 1ek1 s TRP 126 CO 0.00 -0.35 0.58 -0.51 -2.66 0.00 0.00 176.95 174.00 1ek1 s LEU 127 N -2.48 4.52 -0.27 -4.66 1.02 -1.26 -4.97 118.68 110.58 1ek1 s LEU 127 Ca 0.10 1.27 0.03 0.00 0.02 0.00 0.00 54.13 55.54 1ek1 s LEU 127 Cb 0.00 -2.93 0.06 0.00 0.02 0.00 0.00 46.19 43.34 1ek1 s LEU 127 CO -0.05 0.27 -0.10 -0.62 0.02 0.00 0.00 176.35 175.87 1ek1 s ASP 128 N -1.14 4.49 -0.23 2.29 -1.08 -1.26 -2.59 116.67 117.16 1ek1 s ASP 128 Ca 0.30 -1.42 0.14 0.00 -0.52 0.00 0.00 52.55 51.05 1ek1 s ASP 128 Cb -0.19 -1.57 0.81 0.00 -1.46 0.00 0.00 42.92 40.51 1ek1 s ASP 128 CO 0.19 -0.20 1.74 -0.90 0.52 0.00 0.00 175.17 176.52 1ek1 n ASP 129 N 4.44 5.65 -4.00 -0.34 5.68 -1.26 -4.87 116.55 121.84 1ek1 n ASP 129 Ca -0.13 -2.93 -0.30 0.00 -0.50 0.00 0.00 54.79 50.93 1ek1 n ASP 129 Cb 0.42 -0.68 0.24 0.00 -1.14 0.00 0.00 41.12 39.96 1ek1 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ek1 s GLY 130 N -0.85 1.55 -0.03 6.12 0.00 -1.26 -4.96 107.32 107.89 1ek1 s GLY 130 Ca 0.54 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 44.33 1ek1 s GLY 130 CO 0.16 0.10 0.88 -0.55 0.00 0.00 0.00 173.10 173.69 1ek1 h ASP 131 N -2.59 -0.34 -0.11 1.64 3.45 -1.94 -2.70 116.42 113.83 1ek1 h ASP 131 Ca -0.49 -0.18 -0.15 0.00 0.43 0.00 0.00 57.03 56.64 1ek1 h ASP 131 Cb 1.31 0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 40.12 1ek1 h ASP 131 CO 0.40 0.13 -0.13 2.29 -1.57 0.00 0.00 179.24 180.36 1ek1 n LYS 132 N -5.06 1.63 0.11 3.56 0.00 -1.26 -3.86 118.16 113.28 1ek1 n LYS 132 Ca -0.08 -0.76 -0.03 0.00 -0.00 0.00 0.00 58.31 57.45 1ek1 n LYS 132 Cb 0.25 -1.60 0.04 0.00 -0.00 0.00 0.00 35.03 33.72 1ek1 n LYS 132 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1ek1 h ARG 133 N 2.13 0.00 0.48 -1.58 2.43 -1.82 -3.18 114.38 112.85 1ek1 h ARG 133 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1ek1 h ARG 133 Cb 1.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1ek1 h ARG 133 CO 0.23 0.75 -0.44 0.38 -1.51 0.00 0.00 179.97 179.38 1ek1 h ASP 134 N 0.00 -1.19 -0.73 -3.80 3.04 -1.82 -1.06 116.42 110.86 1ek1 h ASP 134 Ca -0.01 0.09 0.29 0.00 -3.24 0.00 0.00 57.03 54.17 1ek1 h ASP 134 Cb 1.41 0.39 -0.13 0.00 -1.04 0.00 0.00 39.33 39.95 1ek1 h ASP 134 CO 0.10 -0.61 0.35 -0.24 -2.04 0.00 0.00 179.24 176.80 1ek1 n SER 135 N -5.53 0.21 -0.19 4.15 2.88 -1.20 0.25 113.62 114.19 1ek1 n SER 135 Ca -0.11 1.22 -0.09 0.00 -1.33 0.00 0.00 58.87 58.56 1ek1 n SER 135 Cb 0.43 -0.58 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1ek1 n SER 135 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ek1 h LEU 136 N 0.00 0.89 0.18 2.46 5.85 -1.27 -3.18 115.31 120.23 1ek1 h LEU 136 Ca 0.60 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1ek1 h LEU 136 Cb 1.56 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1ek1 h LEU 136 CO -0.58 0.93 -0.09 0.00 -0.34 0.00 0.00 178.44 178.36 1ek1 h ALA 137 N 0.99 -0.24 -0.35 1.25 0.00 0.35 -2.28 119.26 118.99 1ek1 h ALA 137 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ek1 h ALA 137 Cb 0.42 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1ek1 h ALA 137 CO 0.01 -0.64 -0.34 1.96 0.00 0.00 0.00 179.25 180.24 1ek1 h GLN 138 N -0.24 -0.28 -0.79 0.00 4.20 -1.58 3.43 115.11 119.84 1ek1 h GLN 138 Ca -0.02 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1ek1 h GLN 138 Cb 0.19 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1ek1 h GLN 138 CO 0.04 -0.19 0.52 1.98 -0.67 0.00 0.00 178.83 180.51 1ek1 h MET 139 N -0.29 0.83 0.02 1.46 1.85 -1.53 0.63 114.93 117.90 1ek1 h MET 139 Ca 0.15 -0.05 -0.23 0.00 -0.61 0.00 0.00 59.70 58.96 1ek1 h MET 139 Cb 0.55 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 1ek1 h MET 139 CO -0.51 0.55 -1.13 0.52 -0.40 0.00 0.00 176.91 175.94 1ek1 h MET 140 N 0.85 0.04 0.43 0.39 2.86 -0.20 -2.93 114.93 116.37 1ek1 h MET 140 Ca 0.34 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1ek1 h MET 140 Cb 0.24 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ek1 h MET 140 CO -0.12 0.97 -0.20 0.00 1.06 0.00 0.00 176.91 178.62 1ek1 h GLU 142 N -0.61 -0.57 -0.39 0.00 4.81 0.13 -2.84 114.58 115.11 1ek1 h GLU 142 Ca -0.06 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1ek1 h GLU 142 Cb 0.46 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1ek1 h GLU 142 CO 0.10 -0.38 0.43 -0.07 -0.73 0.00 0.00 179.01 178.36 1ek1 h LEU 143 N -0.59 0.00 -0.24 1.64 3.38 -1.61 -3.20 115.31 114.69 1ek1 h LEU 143 Ca -0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ek1 h LEU 143 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1ek1 h LEU 143 CO 0.01 0.00 -0.14 -0.24 0.09 0.00 0.00 178.44 178.16 1ek1 n SER 144 N -3.69 -0.25 -0.06 -0.43 2.88 -0.86 -2.00 113.62 109.21 1ek1 n SER 144 Ca 0.07 0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 57.90 1ek1 n SER 144 Cb 0.60 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1ek1 n SER 144 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ek1 h GLN 145 N 0.00 0.52 0.00 -1.46 1.08 -1.77 -3.34 115.11 110.14 1ek1 h GLN 145 Ca 0.04 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1ek1 h GLN 145 Cb 0.10 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ek1 h GLN 145 CO -0.22 0.94 0.00 0.45 -0.95 0.00 0.00 178.83 179.04 1ek1 h HIS 146 N 0.16 0.00 -4.15 2.96 3.86 -1.64 -3.41 115.15 112.94 1ek1 h HIS 146 Ca 0.01 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.57 1ek1 h HIS 146 Cb 0.91 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.07 1ek1 h HIS 146 CO 0.09 0.00 -0.87 -0.06 0.86 0.00 0.00 177.93 177.95 1ek1 s PHE 147 N -3.74 2.17 0.12 2.45 0.40 -1.23 -4.74 117.98 113.40 1ek1 s PHE 147 Ca -0.03 -0.57 0.11 0.00 -0.60 0.00 0.00 56.93 55.84 1ek1 s PHE 147 Cb 0.08 -1.42 0.10 0.00 0.51 0.00 0.00 43.02 42.29 1ek1 s PHE 147 CO 0.27 -0.15 1.45 0.38 0.70 0.00 0.00 175.22 177.88 1ek1 h ASP 148 N 5.94 0.00 -4.21 1.36 2.03 -0.57 -3.46 116.42 117.51 1ek1 h ASP 148 Ca -0.35 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.29 1ek1 h ASP 148 Cb 1.16 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.41 1ek1 h ASP 148 CO 0.47 0.74 -0.87 -0.36 -1.03 0.00 0.00 179.24 178.19 1ek1 s PHE 149 N -3.10 2.18 -0.37 4.15 0.08 -0.92 -5.03 117.98 114.97 1ek1 s PHE 149 Ca 0.01 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1ek1 s PHE 149 Cb 0.10 -1.27 0.12 0.00 -0.57 0.00 0.00 43.02 41.41 1ek1 s PHE 149 CO 0.78 0.17 0.18 -1.17 -0.10 0.00 0.00 175.22 175.07 1ek1 s LEU 150 N -1.44 2.09 -0.75 -0.37 2.96 -1.26 -2.96 118.68 116.94 1ek1 s LEU 150 Ca 0.11 -2.14 -0.13 0.00 -0.22 0.00 0.00 54.13 51.75 1ek1 s LEU 150 Cb -0.10 -0.81 0.20 0.00 0.50 0.00 0.00 46.19 45.97 1ek1 s LEU 150 CO 0.03 -0.33 0.68 -0.63 -1.32 0.00 0.00 176.35 174.77 1ek1 s ILE 151 N 1.01 5.28 -0.17 6.68 1.09 -1.08 -5.02 121.20 129.00 1ek1 s ILE 151 Ca 0.15 -2.37 -0.09 0.00 -1.10 0.00 0.00 60.65 57.23 1ek1 s ILE 151 Cb -0.21 -4.30 -0.05 0.00 -1.06 0.00 0.00 42.46 36.84 1ek1 s ILE 151 CO -0.10 -0.98 0.15 -1.61 -0.10 0.00 0.00 174.94 172.30 1ek1 s GLU 152 N 0.37 3.93 0.20 2.79 2.02 -1.26 -2.52 118.70 124.23 1ek1 s GLU 152 Ca 0.15 -0.16 -0.13 0.00 0.02 0.00 0.00 54.97 54.86 1ek1 s GLU 152 Cb -0.15 -3.34 0.23 0.00 0.10 0.00 0.00 34.13 30.98 1ek1 s GLU 152 CO -0.06 0.47 1.67 0.66 0.02 0.00 0.00 175.26 178.01 1ek1 h SER 153 N 6.05 -0.28 0.00 -0.19 4.64 -0.80 0.12 113.55 123.09 1ek1 h SER 153 Ca -0.46 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ek1 h SER 153 Cb 1.18 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ek1 h SER 153 CO 0.69 -0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 1ek1 n GLN 155 N -0.64 0.01 0.29 0.00 1.13 0.38 -4.46 117.38 114.09 1ek1 n GLN 155 Ca 0.02 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 1ek1 n GLN 155 Cb 0.01 -0.52 -0.07 0.00 0.11 0.00 0.00 30.24 29.77 1ek1 n GLN 155 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1ek1 h VAL 156 N -0.02 0.23 0.00 5.09 -1.51 -1.52 -3.49 116.25 115.04 1ek1 h VAL 156 Ca -0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1ek1 h VAL 156 Cb 0.33 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1ek1 h VAL 156 CO -0.00 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1ek1 n GLY 157 N -0.53 0.01 3.67 5.19 0.00 -0.97 -5.11 105.19 107.46 1ek1 n GLY 157 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1ek1 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek1 s MET 158 N 0.00 2.18 0.06 1.61 -1.94 -1.25 -4.85 119.30 115.10 1ek1 s MET 158 Ca 0.00 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.27 1ek1 s MET 158 Cb 0.00 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 1ek1 s MET 158 CO 0.00 0.09 -0.05 0.96 -0.01 0.00 0.00 175.02 176.01 1ek1 s ILE 159 N -2.51 0.38 0.16 2.53 -5.25 -1.26 -4.39 121.20 110.85 1ek1 s ILE 159 Ca 0.36 -1.57 -0.29 0.00 -0.99 0.00 0.00 60.65 58.17 1ek1 s ILE 159 Cb 0.00 -1.19 -0.07 0.00 2.95 0.00 0.00 42.46 44.15 1ek1 s ILE 159 CO 0.21 -0.78 0.90 -0.54 -1.79 0.00 0.00 174.94 172.94 1ek1 s LYS 160 N -3.08 4.71 -0.38 0.37 1.02 -1.26 0.72 119.74 121.83 1ek1 s LYS 160 Ca 0.01 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.42 1ek1 s LYS 160 Cb 0.01 -3.32 0.61 0.00 -0.52 0.00 0.00 37.83 34.61 1ek1 s LYS 160 CO -0.05 0.39 1.80 -0.35 -0.92 0.00 0.00 175.35 176.21 1ek1 n PRO 161 N 2.15 2.34 -1.82 -1.68 -0.04 -1.26 -4.96 135.00 129.74 1ek1 n PRO 161 Ca -0.01 -2.70 -0.42 0.00 -0.04 0.00 0.00 63.50 60.33 1ek1 n PRO 161 Cb 0.48 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1ek1 n PRO 161 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ek1 s GLU 162 N -2.91 4.17 0.57 0.54 2.02 0.22 -4.78 118.70 118.53 1ek1 s GLU 162 Ca 0.51 2.45 0.42 0.00 0.02 0.00 0.00 54.97 58.37 1ek1 s GLU 162 Cb 0.42 -3.79 1.54 0.00 0.10 0.00 0.00 34.13 32.40 1ek1 s GLU 162 CO 0.10 -0.83 1.59 -1.00 0.02 0.00 0.00 175.26 175.14 1ek1 h PRO 163 N 9.11 0.00 -0.32 0.39 0.13 -2.00 -3.00 132.00 136.31 1ek1 h PRO 163 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1ek1 h PRO 163 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1ek1 h PRO 163 CO 0.94 0.00 -0.19 1.04 -0.23 0.00 0.00 178.00 179.56 1ek1 n GLN 164 N -3.85 -0.14 0.00 0.86 1.13 -1.26 -2.70 117.38 111.42 1ek1 n GLN 164 Ca 0.35 1.06 0.00 0.00 -1.94 0.00 0.00 57.00 56.46 1ek1 n GLN 164 Cb 1.70 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 30.47 1ek1 n GLN 164 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1ek1 n ILE 165 N -3.69 0.00 -0.04 5.09 -0.00 -1.13 -2.27 119.36 117.32 1ek1 n ILE 165 Ca 0.01 1.36 -0.01 0.00 -0.00 0.00 0.00 62.75 64.11 1ek1 n ILE 165 Cb 0.08 -2.08 -0.01 0.00 -0.00 0.00 0.00 39.64 37.63 1ek1 n ILE 165 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1ek1 n TYR 166 N -2.07 -0.04 0.01 1.39 4.02 -1.20 0.34 117.16 119.61 1ek1 n TYR 166 Ca 0.00 0.12 0.23 0.00 -0.01 0.00 0.00 57.90 58.23 1ek1 n TYR 166 Cb 0.00 -0.31 0.64 0.00 -0.02 0.00 0.00 39.34 39.66 1ek1 n TYR 166 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1ek1 h ASN 167 N 0.00 0.00 0.62 7.72 2.35 -1.43 0.59 115.58 125.43 1ek1 h ASN 167 Ca 0.01 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.49 1ek1 h ASN 167 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1ek1 h ASN 167 CO -0.09 0.00 -1.44 0.15 -1.65 0.00 0.00 177.43 174.41 1ek1 h PHE 168 N 0.00 0.18 0.56 1.19 3.57 0.63 -2.32 116.94 120.75 1ek1 h PHE 168 Ca 0.28 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1ek1 h PHE 168 Cb 1.68 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.42 1ek1 h PHE 168 CO 0.00 1.16 -0.27 1.25 -2.23 0.00 0.00 178.31 178.23 1ek1 h LEU 169 N 0.03 -0.64 -0.34 0.59 6.46 0.29 -0.58 115.31 121.11 1ek1 h LEU 169 Ca -0.19 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1ek1 h LEU 169 Cb 1.94 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.95 1ek1 h LEU 169 CO 0.13 -0.28 -0.46 -0.07 -0.62 0.00 0.00 178.44 177.13 1ek1 h LEU 170 N -1.03 -1.52 -2.25 2.25 3.38 -1.07 0.78 115.31 115.86 1ek1 h LEU 170 Ca -0.08 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1ek1 h LEU 170 Cb 0.64 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ek1 h LEU 170 CO 0.13 -0.40 0.24 0.44 0.09 0.00 0.00 178.44 178.94 1ek1 h ASP 171 N -0.39 0.00 0.00 -0.43 3.32 -1.38 1.03 116.42 118.57 1ek1 h ASP 171 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1ek1 h ASP 171 Cb 0.60 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ek1 h ASP 171 CO -0.54 0.00 -0.11 0.74 -1.72 0.00 0.00 179.24 177.61 1ek1 h THR 172 N 0.00 1.73 0.00 0.35 2.02 0.21 -3.36 112.91 113.85 1ek1 h THR 172 Ca 0.07 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1ek1 h THR 172 Cb 0.54 3.30 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 1ek1 h THR 172 CO -0.00 0.59 0.00 0.18 0.37 0.00 0.00 175.52 176.66 1ek1 n LEU 173 N -4.59 0.42 0.00 2.58 7.99 0.44 -4.98 117.00 118.86 1ek1 n LEU 173 Ca -0.12 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 1ek1 n LEU 173 Cb 0.50 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1ek1 n LEU 173 CO 0.33 -0.20 0.00 0.29 -1.51 0.00 0.00 177.39 176.29 1ek1 n LYS 174 N -1.11 0.00 -0.06 3.23 5.02 0.35 -5.07 118.16 120.52 1ek1 n LYS 174 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ek1 n LYS 174 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ek1 n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ek1 n ALA 175 N 0.00 0.00 -2.45 7.82 0.00 -1.21 -5.04 120.51 119.63 1ek1 n ALA 175 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1ek1 n ALA 175 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1ek1 n ALA 175 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ek1 s LYS 176 N 1.07 1.31 0.65 0.00 2.47 -1.26 -4.91 119.74 119.08 1ek1 s LYS 176 Ca 0.00 -1.31 0.19 0.00 -1.56 0.00 0.00 55.97 53.29 1ek1 s LYS 176 Cb 0.00 -1.67 1.02 0.00 -1.46 0.00 0.00 37.83 35.72 1ek1 s LYS 176 CO 0.00 0.39 1.57 -1.35 0.16 0.00 0.00 175.35 176.12 1ek1 h PRO 177 N 3.82 0.00 0.00 4.03 0.11 -1.89 -3.00 132.00 135.06 1ek1 h PRO 177 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ek1 h PRO 177 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ek1 h PRO 177 CO 0.41 0.00 -0.06 -2.95 -0.21 0.00 0.00 178.00 175.20 1ek1 h ASN 178 N 0.00 0.00 0.00 -2.05 7.08 -1.52 -1.77 115.58 117.32 1ek1 h ASN 178 Ca 0.05 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1ek1 h ASN 178 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 1ek1 h ASN 178 CO -0.00 0.56 0.00 -1.84 -2.08 0.00 0.00 177.43 174.07 1ek1 n GLU 179 N -4.75 0.34 -3.94 4.14 0.28 -1.13 -4.52 120.64 111.05 1ek1 n GLU 179 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.89 1ek1 n GLU 179 Cb 0.05 -1.26 -0.11 0.00 1.43 0.00 0.00 31.44 31.55 1ek1 n GLU 179 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ek1 s VAL 180 N -0.06 0.08 0.23 3.84 -7.23 -1.26 -2.74 120.40 113.27 1ek1 s VAL 180 Ca 0.00 -0.70 0.11 0.00 -1.81 0.00 0.00 61.98 59.58 1ek1 s VAL 180 Cb 0.00 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 1ek1 s VAL 180 CO 0.00 -0.38 -0.19 0.54 -0.31 0.00 0.00 175.10 174.75 1ek1 s VAL 181 N -1.16 2.21 0.06 1.32 0.11 -0.07 -2.61 120.40 120.26 1ek1 s VAL 181 Ca -0.13 -2.23 -0.10 0.00 -2.93 0.00 0.00 61.98 56.59 1ek1 s VAL 181 Cb -0.08 -2.15 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1ek1 s VAL 181 CO -0.00 -0.38 0.22 0.12 -3.33 0.00 0.00 175.10 171.73 1ek1 s PHE 182 N -2.39 0.05 -0.14 1.54 5.36 -1.02 -2.81 117.98 118.57 1ek1 s PHE 182 Ca 0.25 -0.33 -0.17 0.00 -0.96 0.00 0.00 56.93 55.72 1ek1 s PHE 182 Cb -0.05 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 1ek1 s PHE 182 CO 0.11 -0.50 0.45 -0.48 -1.46 0.00 0.00 175.22 173.34 1ek1 s LEU 183 N -2.40 0.27 -0.13 6.12 0.05 -1.26 -1.49 118.68 119.84 1ek1 s LEU 183 Ca -0.01 0.78 -0.20 0.00 0.05 0.00 0.00 54.13 54.75 1ek1 s LEU 183 Cb 0.01 1.60 0.05 0.00 -2.05 0.00 0.00 46.19 45.80 1ek1 s LEU 183 CO -0.07 -0.24 0.51 -0.62 -0.55 0.00 0.00 176.35 175.38 1ek1 s ASP 184 N -0.11 -0.50 0.00 1.48 -1.08 -1.05 -3.01 116.67 112.40 1ek1 s ASP 184 Ca -0.03 0.80 0.07 0.00 -0.52 0.00 0.00 52.55 52.87 1ek1 s ASP 184 Cb -0.03 0.82 0.32 0.00 -1.46 0.00 0.00 42.92 42.56 1ek1 s ASP 184 CO 0.02 -0.32 1.23 -0.90 0.52 0.00 0.00 175.17 175.72 1ek1 n ASP 185 N 2.14 0.00 -0.10 -0.34 5.75 -1.26 -2.83 116.55 119.90 1ek1 n ASP 185 Ca -0.16 0.49 -0.18 0.00 -0.01 0.00 0.00 54.79 54.92 1ek1 n ASP 185 Cb 0.56 -0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 40.07 1ek1 n ASP 185 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1ek1 h PHE 186 N 0.00 0.00 0.00 2.11 0.04 -1.94 -3.46 116.94 113.69 1ek1 h PHE 186 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ek1 h PHE 186 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1ek1 h PHE 186 CO 0.00 1.16 0.00 0.41 -0.60 0.00 0.00 178.31 179.28 1ek1 n GLY 187 N 1.47 1.30 0.00 -1.45 0.00 -1.25 -4.47 105.19 100.78 1ek1 n GLY 187 Ca -0.27 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1ek1 n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ek1 n SER 188 N 1.99 0.00 -0.05 1.61 7.64 -1.26 -0.40 113.62 123.16 1ek1 n SER 188 Ca 0.00 0.48 -0.18 0.00 1.01 0.00 0.00 58.87 60.18 1ek1 n SER 188 Cb 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 1ek1 n SER 188 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ek1 n ASN 189 N -1.49 1.76 -0.09 6.43 5.15 -1.26 -4.17 115.26 121.59 1ek1 n ASN 189 Ca 0.04 0.12 -0.05 0.00 -0.60 0.00 0.00 54.58 54.09 1ek1 n ASN 189 Cb 0.21 -0.48 0.15 0.00 -0.53 0.00 0.00 39.78 39.12 1ek1 n ASN 189 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ek1 h LEU 190 N 0.04 0.73 -0.57 1.20 3.38 -1.31 -3.32 115.31 115.46 1ek1 h LEU 190 Ca -0.46 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.35 1ek1 h LEU 190 Cb 2.01 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 42.49 1ek1 h LEU 190 CO 0.03 0.86 -0.34 1.17 0.09 0.00 0.00 178.44 180.25 1ek1 n LYS 191 N -4.18 -0.25 -0.28 1.13 4.81 0.47 -1.60 118.16 118.26 1ek1 n LYS 191 Ca 0.02 0.98 0.15 0.00 -0.87 0.00 0.00 58.31 58.59 1ek1 n LYS 191 Cb 0.35 -1.45 0.42 0.00 0.02 0.00 0.00 35.03 34.36 1ek1 n LYS 191 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ek1 h PRO 192 N 0.00 0.58 0.06 1.64 0.11 -1.84 -2.89 132.00 129.66 1ek1 h PRO 192 Ca 0.09 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 1ek1 h PRO 192 Cb 0.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ek1 h PRO 192 CO -0.54 0.38 -1.13 0.00 -0.21 0.00 0.00 178.00 176.51 1ek1 h ALA 193 N 1.61 0.24 0.00 -0.75 0.00 -1.52 -2.11 119.26 116.73 1ek1 h ALA 193 Ca 0.49 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ek1 h ALA 193 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ek1 h ALA 193 CO -0.24 1.13 0.00 -2.13 0.00 0.00 0.00 179.25 178.01 1ek1 n ARG 194 N -3.43 0.91 -0.07 0.00 0.00 -1.01 0.20 116.66 113.27 1ek1 n ARG 194 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 1ek1 n ARG 194 Cb 0.98 -1.13 -0.06 0.00 0.00 0.00 0.00 32.46 32.25 1ek1 n ARG 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ek1 n ASP 195 N -0.63 2.25 0.03 6.15 9.92 -1.14 -4.55 116.55 128.58 1ek1 n ASP 195 Ca 0.06 0.02 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 1ek1 n ASP 195 Cb 0.03 -0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.13 1ek1 n ASP 195 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1ek1 h MET 196 N -0.19 -0.06 0.00 -1.24 2.86 -1.12 -3.47 114.93 111.71 1ek1 h MET 196 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1ek1 h MET 196 Cb 1.41 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1ek1 h MET 196 CO -0.11 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.54 1ek1 n GLY 197 N -0.19 0.33 3.68 8.32 0.00 0.47 -4.86 105.19 112.93 1ek1 n GLY 197 Ca -0.08 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1ek1 n GLY 197 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek1 s MET 198 N 0.00 2.23 -0.86 1.61 -1.94 0.13 -1.23 119.30 119.24 1ek1 s MET 198 Ca 0.00 -1.63 -0.23 0.00 -1.71 0.00 0.00 55.69 52.12 1ek1 s MET 198 Cb 0.00 -2.06 0.07 0.00 2.01 0.00 0.00 34.83 34.85 1ek1 s MET 198 CO 0.00 0.14 1.24 0.08 -0.01 0.00 0.00 175.02 176.47 1ek1 s VAL 199 N -2.46 4.11 0.53 -6.03 1.01 -1.07 -4.38 120.40 112.11 1ek1 s VAL 199 Ca 0.36 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1ek1 s VAL 199 Cb -0.02 -4.89 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 1ek1 s VAL 199 CO 0.21 -1.74 1.34 0.42 0.00 0.00 0.00 175.10 175.33 1ek1 s THR 200 N 4.53 2.20 -0.28 3.92 -4.23 -1.26 -2.44 115.64 118.08 1ek1 s THR 200 Ca 0.36 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 1ek1 s THR 200 Cb -0.06 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.83 1ek1 s THR 200 CO 0.01 -0.00 0.31 -0.63 -0.54 0.00 0.00 174.62 173.77 1ek1 s ILE 201 N -1.33 -0.45 -0.76 2.99 1.01 -0.56 -4.92 121.20 117.17 1ek1 s ILE 201 Ca 0.70 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1ek1 s ILE 201 Cb -0.39 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1ek1 s ILE 201 CO 0.46 -0.38 1.71 -0.22 0.00 0.00 0.00 174.94 176.50 1ek1 s LEU 202 N 2.40 3.26 0.00 2.97 1.98 -1.26 -2.52 118.68 125.51 1ek1 s LEU 202 Ca 0.09 -0.31 -0.01 0.00 -2.89 0.00 0.00 54.13 51.02 1ek1 s LEU 202 Cb -0.14 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 1ek1 s LEU 202 CO -0.29 -2.24 0.78 0.52 -1.89 0.00 0.00 176.35 173.23 1ek1 n VAL 203 N 7.16 0.44 -2.29 1.68 0.31 -1.13 -4.81 118.33 119.69 1ek1 n VAL 203 Ca 0.23 -0.19 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 1ek1 n VAL 203 Cb 0.50 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 1ek1 n VAL 203 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1ek1 s HIS 204 N 2.31 3.16 0.00 3.52 2.46 -1.26 -4.60 115.29 120.88 1ek1 s HIS 204 Ca 0.07 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.16 1ek1 s HIS 204 Cb 0.03 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 1ek1 s HIS 204 CO 0.00 -1.29 0.00 -1.71 -2.47 0.00 0.00 174.74 169.27 1ek1 n ASN 205 N 0.43 0.00 0.00 9.88 4.05 -1.26 -4.23 115.26 124.13 1ek1 n ASN 205 Ca 0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.05 1ek1 n ASN 205 Cb 0.45 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.46 1ek1 n ASN 205 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1ek1 n THR 206 N 0.00 0.00 0.00 -0.44 -1.04 -1.26 -5.04 114.28 106.50 1ek1 n THR 206 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1ek1 n THR 206 Cb 0.00 1.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 1ek1 n THR 206 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ek1 n ALA 207 N -0.06 0.00 0.00 2.41 0.00 -1.26 -4.91 120.51 116.69 1ek1 n ALA 207 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ek1 n ALA 207 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1ek1 n ALA 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ek1 n SER 208 N 0.00 0.00 -0.25 0.00 2.88 -1.26 -3.67 113.62 111.32 1ek1 n SER 208 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ek1 n SER 208 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1ek1 n SER 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ek1 h ALA 209 N 0.00 0.88 -0.51 -1.46 0.00 -1.95 0.27 119.26 116.49 1ek1 h ALA 209 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ek1 h ALA 209 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ek1 h ALA 209 CO 0.00 -0.39 0.00 -0.11 0.00 0.00 0.00 179.25 178.75 1ek1 n LEU 210 N -5.24 0.00 -0.27 0.00 0.00 -1.24 -2.83 117.00 107.42 1ek1 n LEU 210 Ca 0.14 0.92 0.00 0.00 0.00 0.00 0.00 56.01 57.06 1ek1 n LEU 210 Cb 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 43.42 43.48 1ek1 n LEU 210 CO 0.09 -0.42 0.00 0.54 0.00 0.00 0.00 177.39 177.61 1ek1 n ARG 211 N -1.89 0.00 0.00 1.96 1.74 0.65 -2.98 116.66 116.14 1ek1 n ARG 211 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ek1 n ARG 211 Cb 0.00 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1ek1 n ARG 211 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ek1 n GLU 212 N 0.02 0.00 0.00 5.56 2.13 0.47 -2.71 120.64 126.11 1ek1 n GLU 212 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ek1 n GLU 212 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ek1 n GLU 212 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ek1 n LEU 213 N -1.00 0.15 0.00 4.31 -0.00 -1.18 0.55 117.00 119.82 1ek1 n LEU 213 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1ek1 n LEU 213 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1ek1 n LEU 213 CO 0.00 0.04 -0.36 1.21 -0.00 0.00 0.00 177.39 178.28 1ek1 n GLU 214 N 0.25 0.00 -0.10 1.96 4.07 -1.16 -4.67 120.64 120.99 1ek1 n GLU 214 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1ek1 n GLU 214 Cb 0.04 -0.64 -0.04 0.00 -0.06 0.00 0.00 31.44 30.74 1ek1 n GLU 214 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1ek1 h LYS 215 N 0.00 -0.09 -0.00 5.31 3.64 0.31 -1.44 116.57 124.30 1ek1 h LYS 215 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ek1 h LYS 215 Cb 0.71 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1ek1 h LYS 215 CO 0.00 -0.06 -0.00 0.28 -2.27 0.00 0.00 179.45 177.40 1ek1 n VAL 216 N -3.80 -0.00 -1.84 2.00 0.31 -1.03 -1.70 118.33 112.26 1ek1 n VAL 216 Ca -0.00 0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 64.24 1ek1 n VAL 216 Cb 0.12 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1ek1 n VAL 216 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ek1 s THR 217 N -3.02 3.30 0.00 2.52 2.01 -0.54 -3.25 115.64 116.65 1ek1 s THR 217 Ca -0.00 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1ek1 s THR 217 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1ek1 s THR 217 CO 0.00 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1ek1 n GLY 218 N 5.15 1.97 0.00 4.40 0.00 -1.25 -4.88 105.19 110.57 1ek1 n GLY 218 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1ek1 n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ek1 n THR 219 N 0.00 0.00 -4.37 2.61 -2.24 -0.69 -5.16 114.28 104.44 1ek1 n THR 219 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1ek1 n THR 219 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1ek1 n THR 219 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ek1 s GLN 220 N 4.86 0.90 -0.17 -0.78 0.74 -1.26 -3.27 119.66 120.67 1ek1 s GLN 220 Ca 0.00 -0.30 -0.09 0.00 0.05 0.00 0.00 55.36 55.02 1ek1 s GLN 220 Cb 0.00 -0.85 -0.05 0.00 1.10 0.00 0.00 33.01 33.21 1ek1 s GLN 220 CO 0.00 0.12 0.13 -0.06 -0.55 0.00 0.00 175.29 174.93 1ek1 s PHE 221 N 0.14 3.47 0.59 1.67 0.08 -1.26 -5.07 117.98 117.60 1ek1 s PHE 221 Ca -0.02 0.39 -0.19 0.00 0.12 0.00 0.00 56.93 57.23 1ek1 s PHE 221 Cb -0.08 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1ek1 s PHE 221 CO 0.00 0.43 1.08 -0.35 -0.10 0.00 0.00 175.22 176.29 1ek1 n PRO 222 N 3.03 1.09 0.29 0.24 -0.04 -1.26 -4.95 135.00 133.40 1ek1 n PRO 222 Ca -0.17 0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 1ek1 n PRO 222 Cb 0.53 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 1ek1 n PRO 222 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ek1 h GLU 223 N 0.72 -0.74 -2.03 0.54 9.09 -2.05 -3.37 114.58 116.73 1ek1 h GLU 223 Ca -0.49 0.05 -0.55 0.00 0.05 0.00 0.00 59.36 58.42 1ek1 h GLU 223 Cb 1.35 0.17 -0.40 0.00 -1.65 0.00 0.00 28.75 28.22 1ek1 h GLU 223 CO 0.53 -0.49 -1.04 0.00 0.05 0.00 0.00 179.01 178.05 1ek1 n ALA 224 N -2.52 2.65 -0.88 1.06 0.00 -1.26 -5.14 120.51 114.42 1ek1 n ALA 224 Ca -0.12 -3.62 -0.23 0.00 0.00 0.00 0.00 53.44 49.48 1ek1 n ALA 224 Cb 0.34 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.98 1ek1 n ALA 224 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ek1 n PRO 225 N 1.12 -0.12 -2.54 0.00 -0.02 -1.26 -4.92 135.00 127.26 1ek1 n PRO 225 Ca 0.23 -0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 1ek1 n PRO 225 Cb 0.53 -1.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.95 1ek1 n PRO 225 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ek1 s LEU 226 N 7.51 4.23 0.27 2.45 1.02 -1.26 -5.01 118.68 127.90 1ek1 s LEU 226 Ca 0.22 1.66 -0.30 0.00 0.02 0.00 0.00 54.13 55.73 1ek1 s LEU 226 Cb 0.06 -3.55 -0.13 0.00 0.02 0.00 0.00 46.19 42.59 1ek1 s LEU 226 CO 0.39 -0.59 1.45 -0.81 0.02 0.00 0.00 176.35 176.80 1ek1 n PRO 227 N 5.56 2.26 -0.99 1.29 -0.04 -1.26 -4.77 135.00 137.05 1ek1 n PRO 227 Ca 0.11 0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 63.98 1ek1 n PRO 227 Cb 0.47 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 1ek1 n PRO 227 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ek1 n VAL 228 N 1.68 0.00 -3.38 0.52 3.14 -1.26 -4.87 118.33 114.16 1ek1 n VAL 228 Ca 0.09 0.00 -0.46 0.00 -2.96 0.00 0.00 64.34 61.02 1ek1 n VAL 228 Cb 0.34 -0.37 -0.03 0.00 -1.06 0.00 0.00 33.84 32.71 1ek1 n VAL 228 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ek1 s PRO 229 N 5.24 3.42 0.06 1.45 0.04 -1.25 -4.45 135.00 139.51 1ek1 s PRO 229 Ca 0.93 -2.42 -0.20 0.00 0.04 0.00 0.00 61.00 59.35 1ek1 s PRO 229 Cb -1.05 -4.33 -0.11 0.00 0.04 0.00 0.00 34.50 29.05 1ek1 s PRO 229 CO 0.45 -1.28 0.48 0.00 0.04 0.00 0.00 177.00 176.69 1ek1 s ASN 231 N -0.30 -1.38 0.00 0.00 0.01 -1.26 -4.78 114.94 107.22 1ek1 s ASN 231 Ca 0.46 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.94 1ek1 s ASN 231 Cb -0.66 1.95 0.00 0.00 0.41 0.00 0.00 41.25 42.95 1ek1 s ASN 231 CO 0.34 -0.25 0.00 -0.81 -1.51 0.00 0.00 177.10 174.86 1ek1 n PRO 232 N 5.39 1.30 -0.01 -0.60 -0.04 -1.26 -4.61 135.00 135.17 1ek1 n PRO 232 Ca 0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1ek1 n PRO 232 Cb 0.54 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.75 1ek1 n PRO 232 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ek1 h ASN 233 N 0.00 -0.06 -1.87 3.54 -0.26 -2.02 -3.36 115.58 111.54 1ek1 h ASN 233 Ca 0.00 -0.59 -0.78 0.00 -0.56 0.00 0.00 56.30 54.37 1ek1 h ASN 233 Cb 0.00 0.01 -0.21 0.00 -1.06 0.00 0.00 38.32 37.07 1ek1 h ASN 233 CO 0.00 0.61 1.59 -0.90 -1.06 0.00 0.00 177.43 177.67 1ek1 n ASP 234 N -4.80 7.17 -4.12 5.81 5.75 -1.26 -4.88 116.55 120.22 1ek1 n ASP 234 Ca -0.08 -3.39 -0.14 0.00 -0.01 0.00 0.00 54.79 51.17 1ek1 n ASP 234 Cb 0.32 -1.29 -0.11 0.00 -1.03 0.00 0.00 41.12 39.01 1ek1 n ASP 234 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ek1 s VAL 235 N -2.42 0.73 0.39 2.12 -7.23 -1.26 -4.94 120.40 107.79 1ek1 s VAL 235 Ca 0.43 -1.35 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 1ek1 s VAL 235 Cb 0.15 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 1ek1 s VAL 235 CO -0.06 -0.46 1.22 -0.55 -0.31 0.00 0.00 175.10 174.93 1ek1 s SER 236 N -1.98 6.50 -0.70 4.85 0.15 -1.24 -4.97 113.70 116.31 1ek1 s SER 236 Ca -0.03 2.47 0.05 0.00 0.70 0.00 0.00 55.95 59.14 1ek1 s SER 236 Cb -0.06 -2.63 0.22 0.00 -1.71 0.00 0.00 66.02 61.84 1ek1 s SER 236 CO -0.00 -0.70 0.67 1.41 1.20 0.00 0.00 173.24 175.82 1ek1 n HIS 237 N 0.21 3.49 -0.70 3.44 8.25 -1.26 -3.02 115.22 125.63 1ek1 n HIS 237 Ca 0.03 -4.18 -0.31 0.00 -0.26 0.00 0.00 57.72 53.00 1ek1 n HIS 237 Cb 0.45 -0.64 0.17 0.00 1.12 0.00 0.00 29.99 31.08 1ek1 n HIS 237 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ek1 s GLY 238 N -1.90 1.69 -0.42 -1.41 0.00 -1.06 -4.87 107.32 99.34 1ek1 s GLY 238 Ca 0.33 0.58 0.09 0.00 0.00 0.00 0.00 44.72 45.71 1ek1 s GLY 238 CO -0.08 1.00 0.93 -1.72 0.00 0.00 0.00 173.10 173.23 1ek1 n TYR 239 N -4.25 -1.51 -1.76 1.90 4.02 -1.26 -2.80 117.16 111.51 1ek1 n TYR 239 Ca 0.12 -2.89 -0.40 0.00 -0.01 0.00 0.00 57.90 54.72 1ek1 n TYR 239 Cb 0.52 0.70 0.02 0.00 -0.02 0.00 0.00 39.34 40.55 1ek1 n TYR 239 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ek1 n VAL 240 N 0.38 2.68 -3.99 -0.72 0.31 -1.12 -4.74 118.33 111.13 1ek1 n VAL 240 Ca 0.15 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 1ek1 n VAL 240 Cb 0.68 -1.83 -0.15 0.00 -0.91 0.00 0.00 33.84 31.62 1ek1 n VAL 240 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ek1 s THR 241 N -1.18 2.04 -0.01 2.52 2.01 -1.26 0.05 115.64 119.82 1ek1 s THR 241 Ca 0.60 -2.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 1ek1 s THR 241 Cb -0.46 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1ek1 s THR 241 CO 0.58 -0.47 0.36 -0.37 -0.69 0.00 0.00 174.62 174.03 1ek1 h VAL 242 N 6.63 0.00 -1.91 3.82 -1.51 -1.76 -3.48 116.25 118.04 1ek1 h VAL 242 Ca -0.09 -0.08 -0.43 0.00 -1.23 0.00 0.00 66.70 64.87 1ek1 h VAL 242 Cb 1.03 0.00 0.02 0.00 -2.13 0.00 0.00 31.29 30.21 1ek1 h VAL 242 CO 0.50 0.00 -0.23 -0.54 -1.23 0.00 0.00 177.57 176.07 1ek1 s LYS 243 N -1.83 2.91 0.00 5.19 1.02 -1.17 -5.00 119.74 120.86 1ek1 s LYS 243 Ca -0.01 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1ek1 s LYS 243 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1ek1 s LYS 243 CO 0.02 -0.23 0.55 -2.30 -0.92 0.00 0.00 175.35 172.47 1ek1 n PRO 244 N -1.89 0.00 0.00 -1.68 -0.02 -1.26 -2.18 135.00 127.97 1ek1 n PRO 244 Ca 0.04 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1ek1 n PRO 244 Cb 0.59 -1.05 0.54 0.00 -0.02 0.00 0.00 33.50 33.56 1ek1 n PRO 244 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek1 n GLY 245 N -0.96 -0.95 3.47 -1.23 0.00 -1.26 -4.77 105.19 99.49 1ek1 n GLY 245 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1ek1 n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek1 s ILE 246 N -2.51 4.63 0.17 -0.61 1.09 -0.93 -4.87 121.20 118.17 1ek1 s ILE 246 Ca 0.21 -0.25 0.10 0.00 -1.10 0.00 0.00 60.65 59.61 1ek1 s ILE 246 Cb 0.14 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 1ek1 s ILE 246 CO 0.31 0.18 -0.19 -0.60 -0.10 0.00 0.00 174.94 174.54 1ek1 s ARG 247 N 1.64 1.70 -0.19 2.79 3.00 -1.26 -1.95 118.95 124.67 1ek1 s ARG 247 Ca 0.06 -1.38 0.01 0.00 -1.00 0.00 0.00 55.73 53.42 1ek1 s ARG 247 Cb -0.16 -1.98 0.03 0.00 0.00 0.00 0.00 34.95 32.84 1ek1 s ARG 247 CO 0.06 0.43 -0.15 -1.17 0.00 0.00 0.00 175.30 174.47 1ek1 s LEU 248 N -2.57 2.32 0.44 -0.88 1.98 0.11 -0.95 118.68 119.13 1ek1 s LEU 248 Ca 0.21 -0.82 -0.02 0.00 -2.89 0.00 0.00 54.13 50.61 1ek1 s LEU 248 Cb -0.09 -1.37 -0.02 0.00 0.66 0.00 0.00 46.19 45.37 1ek1 s LEU 248 CO 0.11 -0.08 0.69 -2.28 -1.89 0.00 0.00 176.35 172.90 1ek1 s HIS 249 N 1.32 3.41 0.14 5.38 5.65 -1.26 -2.81 115.29 127.12 1ek1 s HIS 249 Ca 0.01 0.49 -0.24 0.00 0.25 0.00 0.00 55.06 55.57 1ek1 s HIS 249 Cb -0.15 -2.23 0.08 0.00 -1.18 0.00 0.00 32.58 29.10 1ek1 s HIS 249 CO -0.10 -0.24 1.10 -0.59 -0.65 0.00 0.00 174.74 174.26 1ek1 s PHE 250 N -2.59 0.06 0.08 3.88 -0.71 -1.12 -2.18 117.98 115.41 1ek1 s PHE 250 Ca 0.46 -0.39 0.06 0.00 -1.04 0.00 0.00 56.93 56.03 1ek1 s PHE 250 Cb -0.10 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.34 1ek1 s PHE 250 CO 0.40 -0.77 -0.17 0.08 -1.34 0.00 0.00 175.22 173.43 1ek1 s VAL 251 N -2.15 1.35 -0.03 -2.49 1.01 -0.58 -2.58 120.40 114.93 1ek1 s VAL 251 Ca 0.23 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1ek1 s VAL 251 Cb -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ek1 s VAL 251 CO 0.04 -0.16 -0.11 -0.70 0.00 0.00 0.00 175.10 174.17 1ek1 s GLU 252 N -1.80 1.20 -0.18 2.72 2.12 -1.17 -1.42 118.70 120.17 1ek1 s GLU 252 Ca 0.01 -0.38 -0.14 0.00 0.36 0.00 0.00 54.97 54.83 1ek1 s GLU 252 Cb -0.10 -1.09 0.05 0.00 0.26 0.00 0.00 34.13 33.25 1ek1 s GLU 252 CO 0.03 0.13 0.46 -1.64 -0.54 0.00 0.00 175.26 173.70 1ek1 s MET 253 N 0.21 0.50 0.07 4.30 -1.94 -1.13 -3.67 119.30 117.64 1ek1 s MET 253 Ca -0.04 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 1ek1 s MET 253 Cb -0.10 0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.89 1ek1 s MET 253 CO 0.01 -0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1ek1 n GLY 254 N 3.47 -2.46 3.69 -0.03 0.00 -1.26 -0.55 105.19 108.06 1ek1 n GLY 254 Ca -0.18 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1ek1 n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ek1 s SER 255 N -4.74 5.73 0.00 1.61 0.15 -1.25 -4.13 113.70 111.07 1ek1 s SER 255 Ca 0.00 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1ek1 s SER 255 Cb 0.00 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1ek1 s SER 255 CO 0.00 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1ek1 n GLY 256 N 2.98 0.00 3.79 9.45 0.00 -1.26 -3.58 105.19 116.57 1ek1 n GLY 256 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1ek1 n GLY 256 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ek1 s PRO 257 N 0.00 1.35 0.12 1.61 0.04 -1.26 -4.28 135.00 132.59 1ek1 s PRO 257 Ca 0.00 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1ek1 s PRO 257 Cb 0.00 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1ek1 s PRO 257 CO 0.00 -2.07 0.48 0.00 0.04 0.00 0.00 177.00 175.46 1ek1 s ALA 258 N -3.27 3.64 -0.13 8.56 0.00 -1.26 0.43 121.76 129.74 1ek1 s ALA 258 Ca 0.63 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1ek1 s ALA 258 Cb -0.15 -2.40 0.06 0.00 0.00 0.00 0.00 23.12 20.63 1ek1 s ALA 258 CO 0.53 0.51 0.15 -0.48 0.00 0.00 0.00 175.76 176.47 1ek1 s LEU 259 N -2.00 0.03 -0.15 0.00 0.05 -0.68 -1.55 118.68 114.38 1ek1 s LEU 259 Ca 0.36 -0.05 -0.26 0.00 0.05 0.00 0.00 54.13 54.23 1ek1 s LEU 259 Cb -0.14 0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 44.13 1ek1 s LEU 259 CO 0.19 -0.29 0.87 0.00 -0.55 0.00 0.00 176.35 176.56 1ek1 s LEU 261 N 2.08 6.14 -0.42 0.00 1.43 -1.18 -1.09 118.68 125.65 1ek1 s LEU 261 Ca 0.40 -2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 51.10 1ek1 s LEU 261 Cb -0.17 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1ek1 s LEU 261 CO 0.14 -0.80 0.71 0.00 0.23 0.00 0.00 176.35 176.62 1ek1 s HIS 263 N 3.03 2.08 0.00 0.00 -3.43 -1.26 -2.93 115.29 112.78 1ek1 s HIS 263 Ca 0.27 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.44 1ek1 s HIS 263 Cb -0.13 -3.31 0.00 0.00 -1.43 0.00 0.00 32.58 27.70 1ek1 s HIS 263 CO 0.20 -2.88 0.00 0.41 -2.00 0.00 0.00 174.74 170.46 1ek1 n GLY 264 N -1.32 5.32 3.79 -1.38 0.00 -1.21 -4.09 105.19 106.31 1ek1 n GLY 264 Ca 0.06 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1ek1 n GLY 264 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ek1 s PHE 265 N 0.21 3.65 -0.95 1.61 2.19 -1.26 0.47 117.98 123.90 1ek1 s PHE 265 Ca 0.00 0.94 -0.03 0.00 0.33 0.00 0.00 56.93 58.17 1ek1 s PHE 265 Cb 0.00 -2.37 0.24 0.00 -1.31 0.00 0.00 43.02 39.58 1ek1 s PHE 265 CO 0.00 0.48 0.93 -0.35 1.83 0.00 0.00 175.22 178.10 1ek1 n PRO 266 N 2.48 3.02 0.00 10.12 -0.04 -1.26 -4.91 135.00 144.41 1ek1 n PRO 266 Ca -0.12 -4.50 0.00 0.00 -0.04 0.00 0.00 63.50 58.85 1ek1 n PRO 266 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1ek1 n PRO 266 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ek1 n GLU 267 N 2.19 3.85 -4.03 0.54 1.02 0.18 -5.13 120.64 119.25 1ek1 n GLU 267 Ca 0.23 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1ek1 n GLU 267 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.75 1ek1 n GLU 267 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ek1 s SER 268 N -0.04 0.32 0.47 1.62 1.04 -1.26 -4.80 113.70 111.05 1ek1 s SER 268 Ca 0.00 -1.19 0.13 0.00 0.48 0.00 0.00 55.95 55.37 1ek1 s SER 268 Cb 0.00 0.63 1.07 0.00 0.10 0.00 0.00 66.02 67.82 1ek1 s SER 268 CO 0.00 -1.24 2.06 4.11 0.98 0.00 0.00 173.24 179.16 1ek1 h TRP 269 N 2.19 0.10 -1.47 5.02 5.08 -1.88 -2.62 115.95 122.38 1ek1 h TRP 269 Ca -0.28 -0.00 0.43 0.00 1.08 0.00 0.00 58.89 60.11 1ek1 h TRP 269 Cb 1.25 -0.03 -0.06 0.00 -3.00 0.00 0.00 29.16 27.31 1ek1 h TRP 269 CO 0.91 0.14 1.06 0.35 -1.28 0.00 0.00 178.44 179.62 1ek1 h PHE 270 N 0.11 0.00 -0.42 0.12 3.57 -1.92 -2.64 116.94 115.76 1ek1 h PHE 270 Ca 0.03 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1ek1 h PHE 270 Cb 0.13 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 1ek1 h PHE 270 CO 0.00 0.00 -0.40 0.77 -2.23 0.00 0.00 178.31 176.46 1ek1 h SER 271 N 0.00 -1.32 0.00 0.41 0.02 -1.88 -0.89 113.55 109.89 1ek1 h SER 271 Ca 0.70 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.86 1ek1 h SER 271 Cb 2.81 0.59 0.00 0.00 0.14 0.00 0.00 62.40 65.95 1ek1 h SER 271 CO -0.01 -0.35 0.00 0.79 -1.14 0.00 0.00 176.83 176.12 1ek1 n TRP 272 N -5.42 0.00 0.00 3.45 7.02 -0.99 -4.07 117.44 117.43 1ek1 n TRP 272 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ek1 n TRP 272 Cb 0.35 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 1ek1 n TRP 272 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1ek1 n ARG 273 N -0.49 0.00 -0.00 -0.99 1.85 -0.34 0.40 116.66 117.09 1ek1 n ARG 273 Ca 0.00 0.09 0.02 0.00 -1.00 0.00 0.00 57.85 56.96 1ek1 n ARG 273 Cb 0.00 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 29.69 1ek1 n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ek1 n TYR 274 N -0.95 0.00 -0.03 2.89 4.01 -1.26 -1.23 117.16 120.59 1ek1 n TYR 274 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1ek1 n TYR 274 Cb 0.19 -0.08 -0.17 0.00 -0.31 0.00 0.00 39.34 38.97 1ek1 n TYR 274 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ek1 n GLN 275 N -1.60 0.67 0.11 -0.72 0.00 0.16 -4.21 117.38 111.79 1ek1 n GLN 275 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 57.00 56.75 1ek1 n GLN 275 Cb 0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 30.24 28.77 1ek1 n GLN 275 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1ek1 h ILE 276 N 0.00 0.00 0.06 -0.39 2.04 -1.00 0.84 117.51 119.06 1ek1 h ILE 276 Ca -0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1ek1 h ILE 276 Cb 1.30 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1ek1 h ILE 276 CO 0.01 0.00 -0.54 -0.65 0.00 0.00 0.00 178.15 176.97 1ek1 h PRO 277 N -0.45 -0.69 -0.90 2.37 0.11 -1.79 -1.05 132.00 129.59 1ek1 h PRO 277 Ca -0.02 0.05 0.25 0.00 0.11 0.00 0.00 66.00 66.38 1ek1 h PRO 277 Cb 0.41 0.16 -0.15 0.00 0.11 0.00 0.00 31.00 31.53 1ek1 h PRO 277 CO -0.07 -0.46 0.26 0.00 -0.21 0.00 0.00 178.00 177.52 1ek1 h ALA 278 N -0.48 1.35 -0.03 -0.75 0.00 -1.69 0.28 119.26 117.93 1ek1 h ALA 278 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1ek1 h ALA 278 Cb 0.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ek1 h ALA 278 CO -0.32 -0.49 -0.58 -0.07 0.00 0.00 0.00 179.25 177.79 1ek1 h LEU 279 N 0.20 0.12 0.44 0.00 3.38 0.13 0.39 115.31 119.97 1ek1 h LEU 279 Ca 0.58 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1ek1 h LEU 279 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ek1 h LEU 279 CO -0.67 0.67 -0.21 0.00 0.09 0.00 0.00 178.44 178.32 1ek1 h ALA 280 N 1.33 -0.58 -0.43 1.53 0.00 0.75 -2.17 119.26 119.69 1ek1 h ALA 280 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ek1 h ALA 280 Cb 1.04 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1ek1 h ALA 280 CO 0.08 -0.74 0.18 1.96 0.00 0.00 0.00 179.25 180.73 1ek1 h GLN 281 N -0.77 0.35 -0.91 0.00 7.50 -0.96 0.17 115.11 120.48 1ek1 h GLN 281 Ca -0.06 -0.02 0.35 0.00 0.50 0.00 0.00 58.65 59.42 1ek1 h GLN 281 Cb 0.54 -0.08 -0.17 0.00 0.05 0.00 0.00 27.48 27.82 1ek1 h GLN 281 CO 0.10 0.23 0.37 0.00 -1.50 0.00 0.00 178.83 178.03 1ek1 n ALA 282 N -2.35 0.82 0.00 3.87 0.00 0.14 -4.67 120.51 118.33 1ek1 n ALA 282 Ca 0.03 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1ek1 n ALA 282 Cb 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ek1 n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek1 n GLY 283 N -1.29 1.05 3.12 0.00 0.00 0.53 -5.08 105.19 103.52 1ek1 n GLY 283 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1ek1 n GLY 283 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ek1 s PHE 284 N -1.59 0.66 -0.46 1.61 0.40 -0.84 -4.07 117.98 113.68 1ek1 s PHE 284 Ca 0.00 -1.05 -0.19 0.00 -0.60 0.00 0.00 56.93 55.10 1ek1 s PHE 284 Cb 0.00 -0.44 0.04 0.00 0.51 0.00 0.00 43.02 43.13 1ek1 s PHE 284 CO 0.00 -0.33 0.55 0.50 0.70 0.00 0.00 175.22 176.64 1ek1 s ARG 285 N -3.91 3.13 0.26 0.44 3.52 0.17 -3.86 118.95 118.70 1ek1 s ARG 285 Ca 0.10 -0.77 -0.26 0.00 -0.13 0.00 0.00 55.73 54.67 1ek1 s ARG 285 Cb 0.07 -4.03 -0.09 0.00 -1.56 0.00 0.00 34.95 29.34 1ek1 s ARG 285 CO -0.07 -1.05 0.88 0.08 -0.81 0.00 0.00 175.30 174.33 1ek1 s VAL 286 N 2.45 4.26 -0.45 7.11 1.01 0.29 -1.69 120.40 133.38 1ek1 s VAL 286 Ca 0.15 1.77 0.07 0.00 0.00 0.00 0.00 61.98 63.97 1ek1 s VAL 286 Cb -0.18 -4.07 0.23 0.00 0.00 0.00 0.00 36.38 32.35 1ek1 s VAL 286 CO 0.14 0.29 0.51 0.18 0.00 0.00 0.00 175.10 176.21 1ek1 n LEU 287 N 0.95 0.69 -4.55 3.92 4.32 -0.93 -2.84 117.00 118.56 1ek1 n LEU 287 Ca -0.01 -4.75 -0.35 0.00 -0.02 0.00 0.00 56.01 50.88 1ek1 n LEU 287 Cb 0.49 0.35 -0.04 0.00 -1.62 0.00 0.00 43.42 42.60 1ek1 n LEU 287 CO 0.46 2.00 1.49 0.00 -1.22 0.00 0.00 177.39 180.12 1ek1 s ALA 288 N -1.08 2.06 0.43 -1.18 0.00 -0.51 -3.08 121.76 118.40 1ek1 s ALA 288 Ca 0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1ek1 s ALA 288 Cb 0.12 -4.39 -0.09 0.00 0.00 0.00 0.00 23.12 18.76 1ek1 s ALA 288 CO -0.12 -4.15 0.90 0.42 0.00 0.00 0.00 175.76 172.80 1ek1 s ILE 289 N 9.08 4.54 -0.45 0.00 1.01 -1.20 -1.52 121.20 132.66 1ek1 s ILE 289 Ca 0.66 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 1ek1 s ILE 289 Cb -0.10 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1ek1 s ILE 289 CO 0.12 -0.44 0.64 -1.81 0.00 0.00 0.00 174.94 173.45 1ek1 s ASP 290 N -2.62 6.30 0.26 3.58 1.01 -0.92 -4.10 116.67 120.17 1ek1 s ASP 290 Ca 0.58 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 53.09 1ek1 s ASP 290 Cb -0.10 -2.31 -0.13 0.00 1.01 0.00 0.00 42.92 41.39 1ek1 s ASP 290 CO 0.22 -0.80 1.32 0.23 0.21 0.00 0.00 175.17 176.36 1ek1 n MET 291 N 6.25 1.90 -1.04 8.23 2.81 -1.26 -4.52 117.12 129.49 1ek1 n MET 291 Ca -0.03 0.67 -0.40 0.00 -1.81 0.00 0.00 57.70 56.14 1ek1 n MET 291 Cb 0.47 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.66 1ek1 n MET 291 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ek1 n LYS 292 N 1.58 0.00 0.00 0.03 4.81 -1.26 0.91 118.16 124.23 1ek1 n LYS 292 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1ek1 n LYS 292 Cb 0.32 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.37 1ek1 n LYS 292 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ek1 n GLY 293 N 1.11 2.98 3.63 3.14 0.00 -0.65 -4.82 105.19 110.58 1ek1 n GLY 293 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1ek1 n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ek1 s TYR 294 N -2.36 2.82 0.00 1.61 1.51 0.26 -4.25 117.35 116.95 1ek1 s TYR 294 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1ek1 s TYR 294 Cb 0.00 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1ek1 s TYR 294 CO 0.00 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 1ek1 n GLY 295 N 0.34 2.59 0.89 0.71 0.00 -1.25 -2.45 105.19 106.02 1ek1 n GLY 295 Ca -0.11 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1ek1 n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek1 n ASP 296 N 8.06 2.73 -4.92 1.61 8.00 -1.26 -4.61 116.55 126.16 1ek1 n ASP 296 Ca 0.00 -1.88 -0.26 0.00 0.71 0.00 0.00 54.79 53.36 1ek1 n ASP 296 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1ek1 n ASP 296 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ek1 s SER 297 N -1.77 6.30 0.25 -2.24 0.01 -1.02 -4.39 113.70 110.83 1ek1 s SER 297 Ca 0.34 0.67 -0.31 0.00 1.31 0.00 0.00 55.95 57.95 1ek1 s SER 297 Cb 0.21 -2.13 -0.12 0.00 0.21 0.00 0.00 66.02 64.19 1ek1 s SER 297 CO 0.31 -0.39 1.65 -0.44 0.41 0.00 0.00 173.24 174.77 1ek1 s SER 298 N -3.96 6.39 -0.52 2.44 0.01 -0.12 -4.49 113.70 113.44 1ek1 s SER 298 Ca 0.43 2.90 0.04 0.00 1.31 0.00 0.00 55.95 60.63 1ek1 s SER 298 Cb -0.10 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.68 1ek1 s SER 298 CO 0.39 -0.94 0.39 -0.94 0.41 0.00 0.00 173.24 172.55 1ek1 s SER 299 N 0.83 2.79 1.04 2.44 1.04 -1.26 -1.64 113.70 118.93 1ek1 s SER 299 Ca 0.69 -3.34 -0.02 0.00 0.48 0.00 0.00 55.95 53.76 1ek1 s SER 299 Cb -0.48 -0.90 0.03 0.00 0.10 0.00 0.00 66.02 64.76 1ek1 s SER 299 CO 0.40 -0.14 0.08 -0.81 0.98 0.00 0.00 173.24 173.74 1ek1 n PRO 300 N 2.56 -2.12 -0.09 4.02 -0.04 -1.26 -4.78 135.00 133.28 1ek1 n PRO 300 Ca 0.25 -0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1ek1 n PRO 300 Cb 0.42 -0.16 -0.11 0.00 -0.04 0.00 0.00 33.50 33.62 1ek1 n PRO 300 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ek1 n PRO 301 N -2.26 0.93 -1.33 0.54 -0.04 -1.26 -4.27 135.00 127.31 1ek1 n PRO 301 Ca 0.01 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1ek1 n PRO 301 Cb 0.05 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 1ek1 n PRO 301 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ek1 n GLU 302 N -2.86 0.18 -0.09 0.54 4.71 -1.26 -4.86 120.64 116.99 1ek1 n GLU 302 Ca -0.31 0.07 -0.16 0.00 -0.01 0.00 0.00 57.16 56.75 1ek1 n GLU 302 Cb 0.94 -1.21 -0.07 0.00 -1.01 0.00 0.00 31.44 30.08 1ek1 n GLU 302 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1ek1 n ILE 303 N -1.37 1.49 -0.32 -3.67 2.08 -1.26 -3.99 119.36 112.32 1ek1 n ILE 303 Ca 0.10 0.04 0.36 0.00 0.56 0.00 0.00 62.75 63.80 1ek1 n ILE 303 Cb 0.45 -2.17 0.72 0.00 -0.75 0.00 0.00 39.64 37.88 1ek1 n ILE 303 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1ek1 h GLU 304 N -1.00 0.00 -1.11 0.38 9.09 -1.92 0.53 114.58 120.55 1ek1 h GLU 304 Ca -0.24 0.00 0.30 0.00 0.05 0.00 0.00 59.36 59.48 1ek1 h GLU 304 Cb 1.03 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.04 1ek1 h GLU 304 CO -0.14 0.00 0.73 1.49 0.05 0.00 0.00 179.01 181.13 1ek1 h GLU 305 N 0.00 0.27 -0.55 1.06 4.57 -1.95 0.43 114.58 118.41 1ek1 h GLU 305 Ca 0.57 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.67 1ek1 h GLU 305 Cb 2.48 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.96 1ek1 h GLU 305 CO -0.01 0.18 0.08 0.66 -1.18 0.00 0.00 179.01 178.74 1ek1 n TYR 306 N -4.56 1.94 -1.63 0.92 4.02 0.19 -4.65 117.16 113.39 1ek1 n TYR 306 Ca 0.27 -0.93 -0.37 0.00 -0.01 0.00 0.00 57.90 56.86 1ek1 n TYR 306 Cb 1.02 -0.53 0.06 0.00 -0.02 0.00 0.00 39.34 39.87 1ek1 n TYR 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ek1 n ALA 307 N 0.11 0.29 -0.10 -0.72 0.00 0.14 -4.73 120.51 115.50 1ek1 n ALA 307 Ca 0.31 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1ek1 n ALA 307 Cb 1.19 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1ek1 n ALA 307 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1ek1 h MET 308 N 0.41 0.77 -0.55 0.00 4.05 -1.90 -0.97 114.93 116.75 1ek1 h MET 308 Ca -0.49 -0.42 0.11 0.00 -0.28 0.00 0.00 59.70 58.62 1ek1 h MET 308 Cb 1.36 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 32.07 1ek1 h MET 308 CO 0.51 1.04 -0.22 1.49 0.23 0.00 0.00 176.91 179.96 1ek1 h GLU 309 N 0.53 -0.08 0.10 0.39 4.81 -1.93 -1.31 114.58 117.08 1ek1 h GLU 309 Ca 0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ek1 h GLU 309 Cb 0.92 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1ek1 h GLU 309 CO 0.08 -0.06 -0.06 1.25 -0.73 0.00 0.00 179.01 179.50 1ek1 h LEU 310 N -0.09 -0.14 -0.90 1.64 5.85 -1.80 -2.48 115.31 117.39 1ek1 h LEU 310 Ca 0.25 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.25 1ek1 h LEU 310 Cb 0.48 0.04 -0.17 0.00 0.37 0.00 0.00 40.66 41.38 1ek1 h LEU 310 CO -0.61 -0.09 0.11 0.18 -0.34 0.00 0.00 178.44 177.70 1ek1 n LEU 311 N -2.48 -0.02 -0.04 2.25 4.77 -0.40 -0.65 117.00 120.42 1ek1 n LEU 311 Ca -0.02 1.52 -0.12 0.00 -0.03 0.00 0.00 56.01 57.36 1ek1 n LEU 311 Cb 0.06 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1ek1 n LEU 311 CO 0.04 -1.58 0.70 0.00 -1.33 0.00 0.00 177.39 175.23 1ek1 h LYS 313 N -0.06 -0.31 -0.74 0.00 1.63 -0.40 -1.77 116.57 114.92 1ek1 h LYS 313 Ca 0.03 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1ek1 h LYS 313 Cb 0.45 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1ek1 h LYS 313 CO 0.01 -0.20 0.46 0.93 -3.45 0.00 0.00 179.45 177.20 1ek1 h GLU 314 N -0.32 0.99 -1.08 1.90 5.08 -1.31 0.60 114.58 120.45 1ek1 h GLU 314 Ca 0.11 -0.08 0.30 0.00 -1.00 0.00 0.00 59.36 58.69 1ek1 h GLU 314 Cb 0.49 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1ek1 h GLU 314 CO -0.35 0.68 0.75 1.98 -1.00 0.00 0.00 179.01 181.07 1ek1 h MET 315 N 1.00 0.13 0.01 2.33 4.05 -0.17 0.77 114.93 123.05 1ek1 h MET 315 Ca 0.27 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1ek1 h MET 315 Cb -0.06 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1ek1 h MET 315 CO -0.05 0.08 -0.00 0.28 0.23 0.00 0.00 176.91 177.45 1ek1 h VAL 316 N 0.13 1.60 -0.57 -5.77 2.07 -0.32 -3.16 116.25 110.23 1ek1 h VAL 316 Ca 0.54 -1.96 0.16 0.00 0.82 0.00 0.00 66.70 66.27 1ek1 h VAL 316 Cb 1.90 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 34.55 1ek1 h VAL 316 CO -0.10 0.50 0.54 0.74 0.02 0.00 0.00 177.57 179.27 1ek1 h THR 317 N -0.87 0.39 0.09 2.57 2.02 -0.48 0.19 112.91 116.83 1ek1 h THR 317 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ek1 h THR 317 Cb 0.82 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1ek1 h THR 317 CO 0.00 0.00 -0.05 0.15 0.37 0.00 0.00 175.52 176.00 1ek1 h PHE 318 N 0.00 -0.12 0.17 3.16 3.57 -0.89 -1.56 116.94 121.28 1ek1 h PHE 318 Ca 0.27 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1ek1 h PHE 318 Cb 1.35 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1ek1 h PHE 318 CO 0.00 0.02 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.93 1ek1 h LEU 319 N -0.24 -0.27 -0.53 0.59 -0.00 -0.70 -1.28 115.31 112.87 1ek1 h LEU 319 Ca -0.01 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1ek1 h LEU 319 Cb 0.19 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 40.85 1ek1 h LEU 319 CO 0.02 -0.18 -0.53 0.44 -0.00 0.00 0.00 178.44 178.19 1ek1 h ASP 320 N -0.28 -1.82 -0.05 -0.43 3.32 -1.20 0.50 116.42 116.47 1ek1 h ASP 320 Ca -0.01 0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.32 1ek1 h ASP 320 Cb 0.23 0.76 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1ek1 h ASP 320 CO 0.01 -0.33 -0.33 0.11 -1.72 0.00 0.00 179.24 176.98 1ek1 h LYS 321 N -0.27 -0.44 0.00 3.56 6.56 -1.27 -0.17 116.57 124.54 1ek1 h LYS 321 Ca 0.09 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1ek1 h LYS 321 Cb 0.51 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1ek1 h LYS 321 CO -0.64 -0.29 0.00 -0.11 -2.06 0.00 0.00 179.45 176.34 1ek1 n LEU 322 N -5.42 0.00 -0.72 2.94 0.00 -0.49 -4.87 117.00 108.45 1ek1 n LEU 322 Ca -0.04 0.18 -0.09 0.00 0.00 0.00 0.00 56.01 56.05 1ek1 n LEU 322 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 43.42 43.53 1ek1 n LEU 322 CO 0.17 -0.09 -0.09 0.61 0.00 0.00 0.00 177.39 178.00 1ek1 n GLY 323 N 0.03 1.09 3.72 -3.96 0.00 0.16 -5.03 105.19 101.20 1ek1 n GLY 323 Ca 0.09 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1ek1 n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek1 s ILE 324 N -2.30 5.29 -2.01 -0.61 -1.09 -0.36 -4.97 121.20 115.13 1ek1 s ILE 324 Ca 0.00 0.59 0.27 0.00 -2.23 0.00 0.00 60.65 59.28 1ek1 s ILE 324 Cb 0.00 -3.66 0.33 0.00 -1.58 0.00 0.00 42.46 37.55 1ek1 s ILE 324 CO 0.00 0.37 1.58 -0.81 -1.23 0.00 0.00 174.94 174.85 1ek1 n PRO 325 N 3.70 1.13 -3.61 2.79 -0.04 -1.26 -4.20 135.00 133.51 1ek1 n PRO 325 Ca -0.11 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.56 1ek1 n PRO 325 Cb 0.52 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1ek1 n PRO 325 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ek1 s GLN 326 N -2.35 0.53 0.29 0.54 -0.21 -1.26 -4.27 119.66 112.92 1ek1 s GLN 326 Ca 0.28 0.35 -0.06 0.00 0.02 0.00 0.00 55.36 55.96 1ek1 s GLN 326 Cb 0.20 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.45 1ek1 s GLN 326 CO 0.46 -0.12 0.41 0.00 -2.12 0.00 0.00 175.29 173.93 1ek1 s ALA 327 N -0.44 0.51 -0.41 6.09 0.00 -0.48 -4.67 121.76 122.36 1ek1 s ALA 327 Ca 0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1ek1 s ALA 327 Cb -0.03 1.17 0.07 0.00 0.00 0.00 0.00 23.12 24.34 1ek1 s ALA 327 CO -0.03 -0.78 0.24 0.08 0.00 0.00 0.00 175.76 175.28 1ek1 s VAL 328 N -3.58 4.22 -0.14 0.00 1.01 -0.59 -0.92 120.40 120.39 1ek1 s VAL 328 Ca 0.29 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1ek1 s VAL 328 Cb 0.01 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1ek1 s VAL 328 CO 0.15 -0.46 0.73 -0.36 0.00 0.00 0.00 175.10 175.17 1ek1 s PHE 329 N 1.43 3.47 -0.49 5.22 0.40 -0.71 -0.61 117.98 126.69 1ek1 s PHE 329 Ca 0.03 1.17 0.03 0.00 -0.60 0.00 0.00 56.93 57.56 1ek1 s PHE 329 Cb -0.22 -2.88 0.15 0.00 0.51 0.00 0.00 43.02 40.58 1ek1 s PHE 329 CO 0.03 -0.10 0.33 0.42 0.70 0.00 0.00 175.22 176.60 1ek1 s ILE 330 N 1.57 1.32 0.45 0.64 -1.09 -0.25 -1.41 121.20 122.43 1ek1 s ILE 330 Ca 0.36 -2.93 -0.07 0.00 -2.23 0.00 0.00 60.65 55.78 1ek1 s ILE 330 Cb -0.17 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.76 1ek1 s ILE 330 CO 0.14 -1.04 0.77 -0.83 -1.23 0.00 0.00 174.94 172.75 1ek1 s GLY 331 N -0.12 1.65 0.01 6.18 0.00 -0.51 -3.10 107.32 111.44 1ek1 s GLY 331 Ca 0.24 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1ek1 s GLY 331 CO -0.10 -0.25 -0.02 -1.58 0.00 0.00 0.00 173.10 171.15 1ek1 s HIS 332 N -2.59 0.15 0.00 1.90 2.46 -1.15 -0.54 115.29 115.52 1ek1 s HIS 332 Ca 0.48 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.74 1ek1 s HIS 332 Cb -0.10 -0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.24 1ek1 s HIS 332 CO 0.40 -0.09 0.00 -3.47 -2.47 0.00 0.00 174.74 169.11 1ek1 n ASP 333 N 2.32 0.00 0.31 9.88 -0.08 -1.17 -2.52 116.55 125.30 1ek1 n ASP 333 Ca -0.18 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.26 1ek1 n ASP 333 Cb 0.57 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.89 1ek1 n ASP 333 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1ek1 h TRP 334 N 0.00 0.00 0.07 -0.67 -0.00 -1.91 -0.50 115.95 112.94 1ek1 h TRP 334 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.65 1ek1 h TRP 334 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.16 29.18 1ek1 h TRP 334 CO 0.00 0.00 -1.00 0.00 -0.00 0.00 0.00 178.44 177.44 1ek1 h ALA 335 N 1.52 0.03 -0.86 1.49 0.00 -1.64 -3.13 119.26 116.67 1ek1 h ALA 335 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 54.91 54.32 1ek1 h ALA 335 Cb 0.46 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1ek1 h ALA 335 CO 0.00 0.57 0.56 0.78 0.00 0.00 0.00 179.25 181.16 1ek1 h GLY 336 N 0.13 1.20 0.69 0.00 0.00 -1.11 1.11 103.07 105.08 1ek1 h GLY 336 Ca -0.14 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1ek1 h GLY 336 CO 0.19 0.16 -0.19 -2.08 0.00 0.00 0.00 176.54 174.63 1ek1 h VAL 337 N 0.79 0.57 -0.47 4.60 2.07 -1.48 -0.12 116.25 122.22 1ek1 h VAL 337 Ca 0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1ek1 h VAL 337 Cb 0.50 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ek1 h VAL 337 CO -0.17 0.00 0.27 -0.03 0.02 0.00 0.00 177.57 177.65 1ek1 h MET 338 N -0.36 0.65 -0.88 1.57 -1.53 -0.54 -2.02 114.93 111.81 1ek1 h MET 338 Ca 0.02 -0.07 0.16 0.00 -3.44 0.00 0.00 59.70 56.38 1ek1 h MET 338 Cb 0.38 -0.13 -0.10 0.00 -0.55 0.00 0.00 31.60 31.20 1ek1 h MET 338 CO -0.10 0.50 0.46 0.28 0.14 0.00 0.00 176.91 178.20 1ek1 h VAL 339 N 0.63 0.69 -0.08 -5.77 2.07 0.14 1.00 116.25 114.93 1ek1 h VAL 339 Ca 0.17 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.27 1ek1 h VAL 339 Cb 0.03 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1ek1 h VAL 339 CO -0.03 0.11 -0.79 -0.50 0.02 0.00 0.00 177.57 176.39 1ek1 h TRP 340 N 0.62 0.67 -0.04 1.57 4.06 -0.61 -2.41 115.95 119.80 1ek1 h TRP 340 Ca 0.50 -0.31 -0.10 0.00 2.06 0.00 0.00 58.89 61.04 1ek1 h TRP 340 Cb 0.75 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 1ek1 h TRP 340 CO -0.08 1.09 -0.46 -0.91 -3.56 0.00 0.00 178.44 174.53 1ek1 h ASN 341 N 0.32 0.10 0.30 -3.49 2.35 -0.46 0.28 115.58 114.98 1ek1 h ASN 341 Ca -0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ek1 h ASN 341 Cb 1.38 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1ek1 h ASN 341 CO 0.14 0.54 -0.31 0.24 -1.65 0.00 0.00 177.43 176.39 1ek1 h MET 342 N 0.08 -0.59 -1.00 0.81 2.86 0.11 0.32 114.93 117.52 1ek1 h MET 342 Ca 0.00 0.04 0.25 0.00 -2.06 0.00 0.00 59.70 57.93 1ek1 h MET 342 Cb 0.84 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.51 1ek1 h MET 342 CO 0.06 -0.39 0.58 0.00 1.06 0.00 0.00 176.91 178.22 1ek1 h ALA 343 N -1.22 1.78 -0.05 6.32 0.00 -0.92 0.29 119.26 125.47 1ek1 h ALA 343 Ca -0.04 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1ek1 h ALA 343 Cb 0.53 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ek1 h ALA 343 CO -0.05 -0.29 -0.88 1.25 0.00 0.00 0.00 179.25 179.28 1ek1 h LEU 344 N 0.56 0.67 0.00 0.00 5.85 -0.45 -3.32 115.31 118.61 1ek1 h LEU 344 Ca 0.65 -0.49 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1ek1 h LEU 344 Cb 1.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1ek1 h LEU 344 CO -0.49 1.28 -2.07 0.49 -0.34 0.00 0.00 178.44 177.31 1ek1 n PHE 345 N -3.82 0.07 -3.44 1.25 3.72 0.11 -4.73 117.46 110.61 1ek1 n PHE 345 Ca -0.07 0.02 -0.27 0.00 -0.05 0.00 0.00 57.45 57.08 1ek1 n PHE 345 Cb 0.80 -0.70 -0.11 0.00 -0.94 0.00 0.00 39.48 38.53 1ek1 n PHE 345 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ek1 s TYR 346 N -3.16 0.58 -0.08 1.38 2.02 0.94 -4.97 117.35 114.06 1ek1 s TYR 346 Ca -0.08 -1.55 0.13 0.00 -0.37 0.00 0.00 57.07 55.21 1ek1 s TYR 346 Cb 0.11 -0.83 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 1ek1 s TYR 346 CO 0.88 -0.85 1.18 -1.00 -1.57 0.00 0.00 175.55 174.18 1ek1 h PRO 347 N 6.93 0.00 0.48 -1.71 0.14 -1.72 -3.30 132.00 132.82 1ek1 h PRO 347 Ca 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 66.19 1ek1 h PRO 347 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.12 1ek1 h PRO 347 CO 0.26 0.56 -0.23 0.93 0.14 0.00 0.00 178.00 179.65 1ek1 h GLU 348 N 0.00 -0.62 0.00 0.86 3.07 -1.93 -2.69 114.58 113.27 1ek1 h GLU 348 Ca -0.07 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ek1 h GLU 348 Cb 1.58 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1ek1 h GLU 348 CO 0.08 -0.34 0.00 0.54 -1.40 0.00 0.00 179.01 177.89 1ek1 n ARG 349 N -5.30 0.11 -3.85 2.33 5.12 -1.26 -4.48 116.66 109.34 1ek1 n ARG 349 Ca -0.11 0.21 -0.36 0.00 -1.93 0.00 0.00 57.85 55.66 1ek1 n ARG 349 Cb 0.30 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.98 1ek1 n ARG 349 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ek1 s VAL 350 N -2.72 4.18 -0.04 1.55 1.01 -1.01 -1.38 120.40 121.99 1ek1 s VAL 350 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1ek1 s VAL 350 Cb 0.08 -2.93 -0.28 0.00 0.00 0.00 0.00 36.38 33.25 1ek1 s VAL 350 CO 0.19 0.37 0.69 -0.09 0.00 0.00 0.00 175.10 176.27 1ek1 h ARG 351 N 7.99 0.28 -3.07 2.72 9.65 -1.25 -3.46 114.38 127.24 1ek1 h ARG 351 Ca -0.38 -0.48 -0.04 0.00 -1.10 0.00 0.00 59.98 57.98 1ek1 h ARG 351 Cb 1.17 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 29.80 1ek1 h ARG 351 CO 0.59 1.15 0.09 0.00 2.80 0.00 0.00 179.97 184.60 1ek1 s ALA 352 N -2.59 -1.34 0.02 2.80 0.00 -1.24 -3.97 121.76 115.44 1ek1 s ALA 352 Ca -0.13 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1ek1 s ALA 352 Cb 0.06 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1ek1 s ALA 352 CO 0.84 -0.67 -0.10 0.08 0.00 0.00 0.00 175.76 175.90 1ek1 s VAL 353 N -3.49 0.77 -0.02 0.00 1.01 0.08 -1.74 120.40 117.02 1ek1 s VAL 353 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1ek1 s VAL 353 Cb 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1ek1 s VAL 353 CO -0.10 0.01 -0.00 0.00 0.00 0.00 0.00 175.10 175.00 1ek1 s ALA 354 N -0.65 0.22 0.10 5.51 0.00 -0.50 -1.10 121.76 125.34 1ek1 s ALA 354 Ca -0.00 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1ek1 s ALA 354 Cb -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1ek1 s ALA 354 CO 0.00 -0.03 -0.14 0.45 0.00 0.00 0.00 175.76 176.04 1ek1 s SER 355 N 0.62 4.12 -0.22 0.00 0.15 -0.51 -1.42 113.70 116.45 1ek1 s SER 355 Ca -0.06 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 1ek1 s SER 355 Cb -0.09 -0.69 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1ek1 s SER 355 CO -0.01 0.18 -0.10 -0.76 1.20 0.00 0.00 173.24 173.75 1ek1 s LEU 356 N -2.12 2.78 0.00 3.45 1.43 0.29 -2.40 118.68 122.11 1ek1 s LEU 356 Ca 0.19 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1ek1 s LEU 356 Cb -0.11 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ek1 s LEU 356 CO 0.11 -0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.22 1ek1 n ASN 357 N 4.68 0.00 -4.70 2.29 4.13 0.97 -3.03 115.26 119.59 1ek1 n ASN 357 Ca -0.18 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.66 1ek1 n ASN 357 Cb 0.49 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 1ek1 n ASN 357 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ek1 s THR 358 N 0.00 2.47 0.53 3.41 2.01 -1.26 -4.85 115.64 117.94 1ek1 s THR 358 Ca 0.00 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1ek1 s THR 358 Cb 0.00 -3.09 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1ek1 s THR 358 CO 0.00 0.00 0.74 -2.16 -0.69 0.00 0.00 174.62 172.51 1ek1 s PRO 359 N 2.15 2.54 -0.50 4.92 0.04 -1.26 -4.74 135.00 138.14 1ek1 s PRO 359 Ca 0.77 -0.98 -0.24 0.00 0.04 0.00 0.00 61.00 60.60 1ek1 s PRO 359 Cb -0.46 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 31.56 1ek1 s PRO 359 CO 0.34 -0.66 0.86 0.12 0.04 0.00 0.00 177.00 177.70 1ek1 s PHE 360 N -2.67 2.90 -0.93 0.56 5.36 -1.26 -4.85 117.98 117.09 1ek1 s PHE 360 Ca 0.58 0.07 -0.02 0.00 -0.96 0.00 0.00 56.93 56.59 1ek1 s PHE 360 Cb -0.10 -3.87 0.25 0.00 -0.34 0.00 0.00 43.02 38.97 1ek1 s PHE 360 CO 0.37 -1.16 0.98 -1.33 -1.46 0.00 0.00 175.22 172.62 1ek1 n MET 361 N 7.04 3.15 -0.74 10.12 2.81 -1.26 -4.79 117.12 133.45 1ek1 n MET 361 Ca 0.02 -4.53 -0.32 0.00 -1.81 0.00 0.00 57.70 51.06 1ek1 n MET 361 Cb 0.48 -2.43 0.14 0.00 -0.71 0.00 0.00 33.22 30.70 1ek1 n MET 361 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1ek1 n PRO 362 N 1.91 -0.57 -3.85 0.03 -0.02 -1.26 -5.01 135.00 126.24 1ek1 n PRO 362 Ca 0.24 -0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 1ek1 n PRO 362 Cb 0.37 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1ek1 n PRO 362 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ek1 s PRO 363 N -3.87 3.49 -0.28 0.52 0.04 -1.26 -5.07 135.00 128.57 1ek1 s PRO 363 Ca 0.59 -0.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 1ek1 s PRO 363 Cb -0.21 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1ek1 s PRO 363 CO 0.65 0.72 0.61 -0.51 0.04 0.00 0.00 177.00 178.51 1ek1 s ASP 364 N -1.46 6.52 0.61 6.66 1.11 -1.26 -4.92 116.67 123.93 1ek1 s ASP 364 Ca 0.22 0.56 0.31 0.00 0.18 0.00 0.00 52.55 53.82 1ek1 s ASP 364 Cb -0.13 -2.33 1.75 0.00 1.07 0.00 0.00 42.92 43.29 1ek1 s ASP 364 CO 0.12 -0.40 2.10 1.55 1.18 0.00 0.00 175.17 179.71 1ek1 h PRO 365 N 8.03 0.00 -0.64 8.23 0.13 -1.98 -1.89 132.00 143.88 1ek1 h PRO 365 Ca -0.27 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.46 1ek1 h PRO 365 Cb 1.12 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.02 1ek1 h PRO 365 CO 0.78 0.00 0.06 -0.40 -0.23 0.00 0.00 178.00 178.21 1ek1 n ASP 366 N -3.57 4.10 -3.32 1.44 5.68 -1.26 -4.86 116.55 114.76 1ek1 n ASP 366 Ca 0.01 -3.76 -0.10 0.00 -0.50 0.00 0.00 54.79 50.43 1ek1 n ASP 366 Cb 0.31 -0.68 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 1ek1 n ASP 366 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ek1 s VAL 367 N -3.82 -0.60 0.04 2.12 1.01 -0.71 -5.11 120.40 113.32 1ek1 s VAL 367 Ca 0.52 -0.31 -0.37 0.00 0.00 0.00 0.00 61.98 61.81 1ek1 s VAL 367 Cb 0.44 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 35.67 1ek1 s VAL 367 CO 0.02 -0.30 1.42 -0.24 0.00 0.00 0.00 175.10 175.99 1ek1 n SER 368 N 5.35 1.86 -0.26 3.32 2.88 -1.26 -4.62 113.62 120.89 1ek1 n SER 368 Ca 0.00 1.11 0.07 0.00 -1.33 0.00 0.00 58.87 58.72 1ek1 n SER 368 Cb 0.49 -1.20 0.31 0.00 -0.75 0.00 0.00 64.21 63.06 1ek1 n SER 368 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ek1 h PRO 369 N 5.07 0.83 0.14 -1.46 0.13 -1.92 -2.24 132.00 132.55 1ek1 h PRO 369 Ca -0.47 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1ek1 h PRO 369 Cb 1.33 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ek1 h PRO 369 CO 0.81 0.55 -0.07 0.52 -0.23 0.00 0.00 178.00 179.58 1ek1 h MET 370 N 0.85 -0.19 -0.71 0.86 2.86 -1.91 -2.79 114.93 113.91 1ek1 h MET 370 Ca 0.38 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.19 1ek1 h MET 370 Cb 0.37 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.96 1ek1 h MET 370 CO -0.15 0.00 0.12 0.87 1.06 0.00 0.00 176.91 178.81 1ek1 h LYS 371 N -0.35 0.21 0.00 1.72 1.79 -1.77 0.48 116.57 118.66 1ek1 h LYS 371 Ca -0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1ek1 h LYS 371 Cb 0.28 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1ek1 h LYS 371 CO 0.03 0.14 -0.03 -0.39 -1.08 0.00 0.00 179.45 178.13 1ek1 h VAL 372 N 0.22 0.13 0.09 0.50 -1.51 -1.34 -1.66 116.25 112.68 1ek1 h VAL 372 Ca 0.39 -0.29 -0.27 0.00 -1.23 0.00 0.00 66.70 65.31 1ek1 h VAL 372 Cb 0.67 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1ek1 h VAL 372 CO -0.53 0.03 -1.26 0.40 -1.23 0.00 0.00 177.57 174.98 1ek1 h ILE 373 N 0.00 1.46 0.00 7.19 1.08 0.19 -3.24 117.51 124.19 1ek1 h ILE 373 Ca -0.00 -3.09 0.00 0.00 -0.39 0.00 0.00 64.86 61.38 1ek1 h ILE 373 Cb 0.25 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1ek1 h ILE 373 CO 0.00 0.88 0.00 0.54 -0.69 0.00 0.00 178.15 178.89 1ek1 n ARG 374 N -3.46 0.11 -0.11 2.37 1.74 -0.64 -3.70 116.66 112.98 1ek1 n ARG 374 Ca -0.08 0.41 -0.21 0.00 -0.77 0.00 0.00 57.85 57.19 1ek1 n ARG 374 Cb 1.01 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 1ek1 n ARG 374 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ek1 n SER 375 N -1.95 1.91 -4.61 0.55 7.64 -1.16 -4.82 113.62 111.18 1ek1 n SER 375 Ca 0.02 0.40 -0.51 0.00 1.01 0.00 0.00 58.87 59.79 1ek1 n SER 375 Cb 0.16 -0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 1ek1 n SER 375 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ek1 n ILE 376 N -4.38 0.38 -0.21 0.44 2.08 -1.24 -4.78 119.36 111.65 1ek1 n ILE 376 Ca -0.36 -0.16 0.02 0.00 0.56 0.00 0.00 62.75 62.80 1ek1 n ILE 376 Cb 0.70 -1.70 0.13 0.00 -0.75 0.00 0.00 39.64 38.01 1ek1 n ILE 376 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1ek1 h PRO 377 N 10.15 0.34 0.00 0.38 0.13 -1.88 -2.11 132.00 139.02 1ek1 h PRO 377 Ca -0.41 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1ek1 h PRO 377 Cb 1.30 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ek1 h PRO 377 CO 0.98 0.23 -0.09 -0.24 -0.23 0.00 0.00 178.00 178.65 1ek1 h VAL 378 N 0.36 0.26 0.00 1.56 3.04 -1.90 -3.24 116.25 116.33 1ek1 h VAL 378 Ca 0.34 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1ek1 h VAL 378 Cb 0.47 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1ek1 h VAL 378 CO -0.37 0.08 0.00 0.49 -1.01 0.00 0.00 177.57 176.76 1ek1 n PHE 379 N -3.28 0.00 0.07 3.17 3.01 -0.79 -3.77 117.46 115.87 1ek1 n PHE 379 Ca -0.00 -0.46 -0.07 0.00 1.01 0.00 0.00 57.45 57.93 1ek1 n PHE 379 Cb 0.30 -0.24 -0.04 0.00 -0.01 0.00 0.00 39.48 39.49 1ek1 n PHE 379 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1ek1 h ASN 380 N 0.04 -0.24 -1.00 4.37 -0.00 -1.52 -3.14 115.58 114.10 1ek1 h ASN 380 Ca 0.00 -0.15 0.37 0.00 -0.00 0.00 0.00 56.30 56.53 1ek1 h ASN 380 Cb 0.95 0.06 -0.18 0.00 -0.00 0.00 0.00 38.32 39.15 1ek1 h ASN 380 CO 0.00 0.28 0.39 0.10 -0.00 0.00 0.00 177.43 178.20 1ek1 h TYR 381 N -1.02 0.57 -0.69 0.67 -0.00 0.79 3.85 116.97 121.14 1ek1 h TYR 381 Ca -0.03 0.05 0.10 0.00 0.00 0.00 0.00 58.73 58.85 1ek1 h TYR 381 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 36.73 36.97 1ek1 h TYR 381 CO 0.04 -0.46 0.46 1.96 -0.00 0.00 0.00 178.16 180.16 1ek1 h GLN 382 N 0.01 0.54 0.18 0.10 4.20 -1.77 -0.01 115.11 118.36 1ek1 h GLN 382 Ca 0.77 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 59.17 1ek1 h GLN 382 Cb 1.94 -0.12 0.03 0.00 0.30 0.00 0.00 27.48 29.63 1ek1 h GLN 382 CO -0.81 0.35 -1.21 1.25 -0.67 0.00 0.00 178.83 177.74 1ek1 h LEU 383 N 0.55 0.76 -0.71 1.46 6.46 0.73 -3.17 115.31 121.39 1ek1 h LEU 383 Ca 0.32 -0.89 0.15 0.00 -0.12 0.00 0.00 57.88 57.34 1ek1 h LEU 383 Cb 0.51 -0.24 -0.13 0.00 -0.73 0.00 0.00 40.66 40.07 1ek1 h LEU 383 CO -0.10 1.59 -0.04 0.22 -0.62 0.00 0.00 178.44 179.48 1ek1 h TYR 384 N 0.06 -0.13 -0.04 1.25 3.20 0.40 -0.47 116.97 121.24 1ek1 h TYR 384 Ca -0.20 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.76 1ek1 h TYR 384 Cb 1.93 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 40.33 1ek1 h TYR 384 CO 0.14 -0.24 -0.19 0.74 -1.64 0.00 0.00 178.16 176.97 1ek1 h PHE 385 N 0.08 -0.49 -1.09 -3.82 0.04 -1.10 -2.89 116.94 107.66 1ek1 h PHE 385 Ca 0.37 0.02 0.33 0.00 2.80 0.00 0.00 57.97 61.49 1ek1 h PHE 385 Cb 0.63 0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 1ek1 h PHE 385 CO -0.45 -0.27 0.77 0.94 -0.60 0.00 0.00 178.31 178.71 1ek1 n GLN 386 N -5.32 -0.00 -2.92 1.51 -0.06 -0.18 -4.08 117.38 106.33 1ek1 n GLN 386 Ca -0.04 0.66 -0.43 0.00 -2.00 0.00 0.00 57.00 55.19 1ek1 n GLN 386 Cb 0.24 -1.48 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 1ek1 n GLN 386 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1ek1 s GLU 387 N -4.20 3.59 -0.10 3.69 0.41 -1.09 -4.94 118.70 116.05 1ek1 s GLU 387 Ca -0.03 0.15 -0.38 0.00 -0.41 0.00 0.00 54.97 54.30 1ek1 s GLU 387 Cb 0.16 -3.88 -0.16 0.00 -1.78 0.00 0.00 34.13 28.47 1ek1 s GLU 387 CO 0.52 -1.04 1.57 -2.30 -0.49 0.00 0.00 175.26 173.52 1ek1 n PRO 388 N 6.73 1.21 0.00 0.39 -0.02 -1.26 -3.02 135.00 139.03 1ek1 n PRO 388 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ek1 n PRO 388 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1ek1 n PRO 388 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek1 n GLY 389 N 3.44 2.85 0.00 -1.23 0.00 -1.26 -4.92 105.19 104.07 1ek1 n GLY 389 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ek1 n GLY 389 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ek1 n VAL 390 N -0.12 0.00 0.29 1.61 0.31 -1.17 -1.06 118.33 118.19 1ek1 n VAL 390 Ca 0.00 1.31 0.16 0.00 -0.01 0.00 0.00 64.34 65.80 1ek1 n VAL 390 Cb 0.00 -2.31 0.85 0.00 -0.91 0.00 0.00 33.84 31.47 1ek1 n VAL 390 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek1 h ALA 391 N -2.00 1.15 0.43 3.52 0.00 -1.86 -1.54 119.26 118.96 1ek1 h ALA 391 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ek1 h ALA 391 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ek1 h ALA 391 CO 0.00 0.07 -0.28 0.93 0.00 0.00 0.00 179.25 179.97 1ek1 h GLU 392 N 0.00 -0.65 -0.91 0.00 3.07 -1.89 0.89 114.58 115.09 1ek1 h GLU 392 Ca -0.00 0.04 0.23 0.00 -0.50 0.00 0.00 59.36 59.14 1ek1 h GLU 392 Cb 0.29 0.15 -0.13 0.00 -0.84 0.00 0.00 28.75 28.21 1ek1 h GLU 392 CO 0.01 -0.43 0.39 0.00 -1.40 0.00 0.00 179.01 177.57 1ek1 h ALA 393 N -1.46 1.47 0.37 3.43 0.00 -0.47 0.26 119.26 122.86 1ek1 h ALA 393 Ca -0.06 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ek1 h ALA 393 Cb 0.55 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ek1 h ALA 393 CO 0.05 -0.39 -0.18 1.49 0.00 0.00 0.00 179.25 180.23 1ek1 h GLU 394 N 0.36 -0.48 0.49 0.00 4.81 -0.95 -2.92 114.58 115.90 1ek1 h GLU 394 Ca 0.58 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.82 1ek1 h GLU 394 Cb 1.14 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ek1 h GLU 394 CO -0.56 -0.16 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.25 1ek1 h LEU 395 N -0.85 -0.56 -0.30 1.64 3.38 -0.48 -3.30 115.31 114.84 1ek1 h LEU 395 Ca -0.05 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1ek1 h LEU 395 Cb 0.54 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1ek1 h LEU 395 CO 0.08 -0.33 -0.40 -0.33 0.09 0.00 0.00 178.44 177.55 1ek1 h GLU 396 N -0.76 -0.36 -0.13 1.13 5.08 -0.61 -3.16 114.58 115.77 1ek1 h GLU 396 Ca -0.07 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ek1 h GLU 396 Cb 0.55 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ek1 h GLU 396 CO 0.11 -0.24 -0.01 1.63 -1.00 0.00 0.00 179.01 179.51 1ek1 n LYS 397 N -5.42 -0.01 -3.27 2.33 4.76 -1.10 -2.88 118.16 112.57 1ek1 n LYS 397 Ca -0.02 0.19 -0.07 0.00 -2.87 0.00 0.00 58.31 55.55 1ek1 n LYS 397 Cb 0.35 -0.30 -0.04 0.00 -1.84 0.00 0.00 35.03 33.20 1ek1 n LYS 397 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1ek1 s ASN 398 N -5.01 -0.39 0.45 4.39 2.47 -1.19 -4.99 114.94 110.66 1ek1 s ASN 398 Ca -0.02 -1.15 0.15 0.00 0.42 0.00 0.00 52.86 52.26 1ek1 s ASN 398 Cb 0.04 1.37 1.07 0.00 -1.45 0.00 0.00 41.25 42.27 1ek1 s ASN 398 CO 0.10 -0.20 2.00 0.24 -3.72 0.00 0.00 177.10 175.51 1ek1 h MET 399 N 6.99 0.34 -0.61 0.43 2.86 -1.64 -1.50 114.93 121.79 1ek1 h MET 399 Ca 0.05 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1ek1 h MET 399 Cb 1.13 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.61 1ek1 h MET 399 CO 0.14 0.22 0.02 1.03 1.06 0.00 0.00 176.91 179.38 1ek1 h SER 400 N 0.35 -0.24 0.37 1.22 0.87 -1.92 -0.74 113.55 113.46 1ek1 h SER 400 Ca 0.24 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.93 1ek1 h SER 400 Cb 0.51 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ek1 h SER 400 CO -0.06 -0.10 -0.18 -0.09 -0.53 0.00 0.00 176.83 175.87 1ek1 h ARG 401 N 0.13 -0.48 -0.51 2.24 1.12 -1.70 -3.30 114.38 111.88 1ek1 h ARG 401 Ca 0.32 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.28 1ek1 h ARG 401 Cb 0.52 0.11 -0.07 0.00 -0.01 0.00 0.00 29.97 30.52 1ek1 h ARG 401 CO -0.51 -0.25 -0.28 2.41 -3.11 0.00 0.00 179.97 178.23 1ek1 n THR 402 N -5.11 -0.33 -0.09 0.20 -1.04 -0.72 -1.70 114.28 105.49 1ek1 n THR 402 Ca -0.07 1.23 -0.12 0.00 -2.04 0.00 0.00 64.05 63.05 1ek1 n THR 402 Cb 0.23 -1.54 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1ek1 n THR 402 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1ek1 h PHE 403 N 0.00 0.58 0.00 -1.42 0.04 -1.27 -1.41 116.94 113.46 1ek1 h PHE 403 Ca 0.10 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1ek1 h PHE 403 Cb 0.23 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1ek1 h PHE 403 CO -0.51 0.75 -0.07 1.57 -0.60 0.00 0.00 178.31 179.44 1ek1 h LYS 404 N 0.25 0.00 0.20 1.51 2.10 -1.40 0.25 116.57 119.48 1ek1 h LYS 404 Ca 0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 1ek1 h LYS 404 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1ek1 h LYS 404 CO 0.03 0.07 -0.10 0.77 -2.00 0.00 0.00 179.45 178.23 1ek1 h SER 405 N 0.00 -0.23 0.34 7.07 0.02 -1.13 -3.34 113.55 116.29 1ek1 h SER 405 Ca -0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1ek1 h SER 405 Cb 0.19 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1ek1 h SER 405 CO 0.01 0.30 -0.31 -0.26 -1.14 0.00 0.00 176.83 175.43 1ek1 h PHE 406 N -0.90 -0.83 -2.57 3.45 -1.00 -0.74 -3.38 116.94 110.97 1ek1 h PHE 406 Ca -0.03 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.13 1ek1 h PHE 406 Cb 0.50 0.32 -0.14 0.00 3.61 0.00 0.00 35.95 40.24 1ek1 h PHE 406 CO 0.07 -0.45 0.64 -0.06 -1.61 0.00 0.00 178.31 176.90 1ek1 s PHE 407 N -6.03 2.67 0.13 -0.55 0.08 0.83 -4.90 117.98 110.20 1ek1 s PHE 407 Ca -0.16 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.27 1ek1 s PHE 407 Cb 0.06 -4.34 -0.03 0.00 -0.57 0.00 0.00 43.02 38.14 1ek1 s PHE 407 CO 0.63 -1.69 0.12 1.03 -0.10 0.00 0.00 175.22 175.22 1ek1 s ARG 408 N 4.15 0.95 0.00 0.44 0.52 -1.26 -4.59 118.95 119.15 1ek1 s ARG 408 Ca 0.25 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1ek1 s ARG 408 Cb -0.15 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1ek1 s ARG 408 CO 0.09 -0.29 0.00 0.00 0.02 0.00 0.00 175.30 175.12 1ek1 n ALA 409 N -0.10 0.00 0.23 2.13 0.00 -1.26 -4.75 120.51 116.76 1ek1 n ALA 409 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1ek1 n ALA 409 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1ek1 n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ek1 n SER 410 N 0.00 0.64 -2.53 0.00 3.41 -1.26 -4.51 113.62 109.36 1ek1 n SER 410 Ca 0.00 -0.82 -0.16 0.00 -0.26 0.00 0.00 58.87 57.64 1ek1 n SER 410 Cb 0.00 0.67 0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1ek1 n SER 410 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ek1 n ASP 411 N -0.65 3.05 -3.92 4.04 5.75 -1.26 -5.03 116.55 118.53 1ek1 n ASP 411 Ca 0.02 -3.08 -0.23 0.00 -0.01 0.00 0.00 54.79 51.48 1ek1 n ASP 411 Cb 0.10 -0.47 -0.17 0.00 -1.03 0.00 0.00 41.12 39.55 1ek1 n ASP 411 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1ek1 s GLU 412 N -3.44 1.22 0.43 0.11 2.56 -1.26 -5.12 118.70 113.20 1ek1 s GLU 412 Ca 0.37 -0.21 -0.17 0.00 0.00 0.00 0.00 54.97 54.97 1ek1 s GLU 412 Cb 0.41 -1.19 -0.09 0.00 2.00 0.00 0.00 34.13 35.26 1ek1 s GLU 412 CO -0.05 -0.12 0.90 0.95 -0.56 0.00 0.00 175.26 176.38 1ek1 s THR 413 N 1.14 4.54 0.00 -1.70 -4.23 -1.26 -4.29 115.64 109.84 1ek1 s THR 413 Ca -0.07 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1ek1 s THR 413 Cb -0.14 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1ek1 s THR 413 CO -0.01 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1ek1 n GLY 414 N -0.98 0.80 0.00 3.99 0.00 -1.26 -5.00 105.19 102.74 1ek1 n GLY 414 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ek1 n GLY 414 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ek1 n PHE 415 N -2.34 -0.13 -3.03 1.61 -0.00 -1.26 -4.77 117.46 107.53 1ek1 n PHE 415 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.27 1ek1 n PHE 415 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.50 1ek1 n PHE 415 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1ek1 s ILE 416 N 0.00 2.77 -0.84 -2.13 1.09 -1.26 -4.70 121.20 116.13 1ek1 s ILE 416 Ca 0.00 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 58.55 1ek1 s ILE 416 Cb 0.00 -2.78 0.34 0.00 -1.06 0.00 0.00 42.46 38.95 1ek1 s ILE 416 CO 0.00 0.00 1.56 0.00 -0.10 0.00 0.00 174.94 176.40 1ek1 n ALA 417 N -1.94 5.68 -0.23 9.38 0.00 -1.06 -4.92 120.51 127.42 1ek1 n ALA 417 Ca 0.10 -4.55 -0.06 0.00 0.00 0.00 0.00 53.44 48.92 1ek1 n ALA 417 Cb 0.60 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1ek1 n ALA 417 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ek1 n VAL 418 N -0.21 -0.38 -0.11 0.00 0.31 -1.26 -2.45 118.33 114.23 1ek1 n VAL 418 Ca 0.43 1.38 -0.14 0.00 -0.01 0.00 0.00 64.34 66.00 1ek1 n VAL 418 Cb 0.32 -1.71 -0.14 0.00 -0.91 0.00 0.00 33.84 31.40 1ek1 n VAL 418 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek1 n HIS 419 N -4.64 0.00 0.22 3.52 1.44 -1.25 0.41 115.22 114.92 1ek1 n HIS 419 Ca 0.01 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.78 1ek1 n HIS 419 Cb 0.14 -0.99 0.49 0.00 0.12 0.00 0.00 29.99 29.75 1ek1 n HIS 419 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1ek1 h LYS 420 N 0.00 0.00 0.00 -1.40 1.79 -1.87 -3.42 116.57 111.67 1ek1 h LYS 420 Ca -0.56 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1ek1 h LYS 420 Cb 2.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.73 1ek1 h LYS 420 CO -0.03 0.26 0.00 0.00 -1.08 0.00 0.00 179.45 178.60 1ek1 n ALA 421 N -2.41 0.00 -0.25 3.86 0.00 -1.03 -2.00 120.51 118.68 1ek1 n ALA 421 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1ek1 n ALA 421 Cb 0.33 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.89 1ek1 n ALA 421 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ek1 n THR 422 N 0.00 -0.29 0.00 0.00 -2.24 -1.26 -0.14 114.28 110.35 1ek1 n THR 422 Ca 0.00 1.59 0.00 0.00 -2.27 0.00 0.00 64.05 63.37 1ek1 n THR 422 Cb 0.00 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.01 1ek1 n THR 422 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ek1 n GLU 423 N -5.11 0.00 0.07 -0.78 4.07 -0.85 -0.68 120.64 117.36 1ek1 n GLU 423 Ca 0.12 0.61 0.05 0.00 -0.06 0.00 0.00 57.16 57.88 1ek1 n GLU 423 Cb 0.38 -1.36 0.26 0.00 -0.06 0.00 0.00 31.44 30.66 1ek1 n GLU 423 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1ek1 n ILE 424 N -2.00 1.54 -2.93 6.31 -0.00 -0.85 -4.86 119.36 116.58 1ek1 n ILE 424 Ca 0.00 0.58 -0.12 0.00 -0.00 0.00 0.00 62.75 63.20 1ek1 n ILE 424 Cb 0.00 -1.56 0.06 0.00 -0.00 0.00 0.00 39.64 38.13 1ek1 n ILE 424 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ek1 n GLY 425 N -1.31 -0.65 0.00 3.28 0.00 0.80 -5.00 105.19 102.31 1ek1 n GLY 425 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ek1 n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek1 n GLY 426 N -1.26 2.62 0.03 -0.02 0.00 -0.99 -4.96 105.19 100.61 1ek1 n GLY 426 Ca -0.08 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ek1 n GLY 426 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ek1 n ILE 427 N -0.97 0.40 -0.58 -0.61 5.41 -1.26 -4.01 119.36 117.74 1ek1 n ILE 427 Ca 0.00 -0.38 0.07 0.00 1.00 0.00 0.00 62.75 63.44 1ek1 n ILE 427 Cb 0.00 -0.26 0.21 0.00 -0.71 0.00 0.00 39.64 38.88 1ek1 n ILE 427 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ek1 n LEU 428 N -2.18 3.46 -0.21 1.39 4.32 -1.26 -2.58 117.00 119.94 1ek1 n LEU 428 Ca -0.11 -2.50 -0.06 0.00 -0.02 0.00 0.00 56.01 53.32 1ek1 n LEU 428 Cb 0.60 -0.39 0.04 0.00 -1.62 0.00 0.00 43.42 42.05 1ek1 n LEU 428 CO 0.24 0.71 1.11 0.58 -1.22 0.00 0.00 177.39 178.81 1ek1 h VAL 429 N 1.99 1.17 0.00 4.08 2.07 -1.93 -2.91 116.25 120.72 1ek1 h VAL 429 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ek1 h VAL 429 Cb 1.10 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ek1 h VAL 429 CO 0.12 0.17 -1.32 0.59 0.02 0.00 0.00 177.57 177.14 1ek1 n ASN 430 N -4.64 0.63 -4.66 0.57 5.03 -1.26 -4.84 115.26 106.08 1ek1 n ASN 430 Ca 0.04 -0.60 -0.42 0.00 0.87 0.00 0.00 54.58 54.47 1ek1 n ASN 430 Cb 0.04 1.30 -0.03 0.00 -1.02 0.00 0.00 39.78 40.07 1ek1 n ASN 430 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ek1 s THR 431 N -3.19 3.83 0.57 3.41 2.01 -1.10 -4.92 115.64 116.26 1ek1 s THR 431 Ca 0.02 1.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.91 1ek1 s THR 431 Cb 0.15 -3.67 -0.14 0.00 0.01 0.00 0.00 72.50 68.85 1ek1 s THR 431 CO 0.87 -0.08 -0.27 -0.81 -0.69 0.00 0.00 174.62 173.65 1ek1 n PRO 432 N 6.66 0.00 -2.84 4.92 -0.04 -1.26 -4.79 135.00 137.64 1ek1 n PRO 432 Ca 0.15 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 1ek1 n PRO 432 Cb 0.44 -0.91 0.01 0.00 -0.04 0.00 0.00 33.50 32.99 1ek1 n PRO 432 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ek1 n GLU 433 N 1.60 4.77 0.00 0.54 4.71 -1.26 -4.13 120.64 126.87 1ek1 n GLU 433 Ca 0.05 -4.64 0.00 0.00 -0.01 0.00 0.00 57.16 52.56 1ek1 n GLU 433 Cb 0.45 -2.46 0.00 0.00 -1.01 0.00 0.00 31.44 28.42 1ek1 n GLU 433 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1ek1 n ASP 434 N 0.50 0.00 0.00 1.62 5.68 -1.26 -5.09 116.55 118.00 1ek1 n ASP 434 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 1ek1 n ASP 434 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1ek1 n ASP 434 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1ek1 n PRO 435 N 0.00 0.00 -2.79 0.11 -0.02 -1.26 -4.93 135.00 126.11 1ek1 n PRO 435 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1ek1 n PRO 435 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 1ek1 n PRO 435 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ek1 s ASN 436 N 0.00 7.52 -0.21 2.55 3.04 -1.26 -4.96 114.94 121.62 1ek1 s ASN 436 Ca 0.00 1.88 -0.29 0.00 0.04 0.00 0.00 52.86 54.49 1ek1 s ASN 436 Cb 0.00 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 37.09 1ek1 s ASN 436 CO 0.00 0.09 1.75 -0.22 -3.04 0.00 0.00 177.10 175.68 1ek1 s LEU 437 N -1.46 3.85 0.14 3.21 0.20 -1.26 -4.91 118.68 118.45 1ek1 s LEU 437 Ca 0.43 1.73 -0.34 0.00 0.69 0.00 0.00 54.13 56.64 1ek1 s LEU 437 Cb -0.23 -3.53 -0.16 0.00 -0.43 0.00 0.00 46.19 41.84 1ek1 s LEU 437 CO 0.29 -1.38 1.32 -0.24 -0.29 0.00 0.00 176.35 176.05 1ek1 n SER 438 N 8.97 1.85 0.00 3.68 2.88 -1.26 -4.75 113.62 124.99 1ek1 n SER 438 Ca 0.21 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.90 1ek1 n SER 438 Cb 0.45 -1.26 0.14 0.00 -0.75 0.00 0.00 64.21 62.79 1ek1 n SER 438 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ek1 n LYS 439 N 2.31 0.19 -0.32 -1.46 2.85 -1.26 -1.85 118.16 118.62 1ek1 n LYS 439 Ca 0.16 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.50 1ek1 n LYS 439 Cb 0.24 -1.39 0.24 0.00 -0.65 0.00 0.00 35.03 33.47 1ek1 n LYS 439 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ek1 n ILE 440 N -0.89 1.23 -3.97 0.58 -0.00 -1.26 -4.97 119.36 110.07 1ek1 n ILE 440 Ca 0.04 -1.10 -0.09 0.00 -0.00 0.00 0.00 62.75 61.60 1ek1 n ILE 440 Cb 0.02 0.39 -0.05 0.00 -0.00 0.00 0.00 39.64 40.00 1ek1 n ILE 440 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1ek1 s THR 441 N -1.27 0.00 0.45 1.39 -4.23 -0.77 -4.88 115.64 106.33 1ek1 s THR 441 Ca 0.37 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1ek1 s THR 441 Cb 0.21 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1ek1 s THR 441 CO 0.22 0.00 0.09 0.42 -0.54 0.00 0.00 174.62 174.81 1ek1 s THR 442 N -3.95 1.85 0.32 3.99 -4.23 -1.26 -4.76 115.64 107.60 1ek1 s THR 442 Ca 0.21 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1ek1 s THR 442 Cb -0.02 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1ek1 s THR 442 CO 0.09 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.84 1ek1 h GLU 443 N 1.49 0.17 0.11 3.99 4.81 -1.99 -2.21 114.58 120.94 1ek1 h GLU 443 Ca -0.43 -0.07 -0.29 0.00 -0.13 0.00 0.00 59.36 58.43 1ek1 h GLU 443 Cb 1.27 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.67 1ek1 h GLU 443 CO 0.74 0.53 -1.22 0.93 -0.73 0.00 0.00 179.01 179.27 1ek1 h GLU 444 N 0.14 0.63 -0.95 1.92 3.07 -1.98 -1.04 114.58 116.36 1ek1 h GLU 444 Ca 0.01 -0.82 0.21 0.00 -0.50 0.00 0.00 59.36 58.26 1ek1 h GLU 444 Cb 0.74 0.27 -0.08 0.00 -0.84 0.00 0.00 28.75 28.84 1ek1 h GLU 444 CO 0.06 1.37 0.62 0.93 -1.40 0.00 0.00 179.01 180.59 1ek1 h GLU 445 N 0.27 0.48 0.07 2.33 5.08 -1.87 0.10 114.58 121.03 1ek1 h GLU 445 Ca -0.18 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ek1 h GLU 445 Cb 1.89 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1ek1 h GLU 445 CO 0.23 0.31 -0.03 0.82 -1.00 0.00 0.00 179.01 179.35 1ek1 h ILE 446 N 0.49 0.87 -1.05 3.13 1.08 -1.26 -3.23 117.51 117.54 1ek1 h ILE 446 Ca 0.52 -1.46 0.35 0.00 -0.39 0.00 0.00 64.86 63.88 1ek1 h ILE 446 Cb 1.17 1.57 -0.15 0.00 -3.07 0.00 0.00 36.82 36.34 1ek1 h ILE 446 CO -0.24 0.27 0.61 -0.08 -0.69 0.00 0.00 178.15 178.02 1ek1 h GLU 447 N -0.95 0.24 0.88 2.37 4.22 0.13 0.73 114.58 122.20 1ek1 h GLU 447 Ca -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1ek1 h GLU 447 Cb 0.51 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ek1 h GLU 447 CO 0.02 0.16 -0.42 0.35 -2.18 0.00 0.00 179.01 176.93 1ek1 h PHE 448 N 0.24 -1.10 -0.94 0.92 3.57 -0.93 -0.76 116.94 117.94 1ek1 h PHE 448 Ca 0.76 -0.03 0.29 0.00 3.53 0.00 0.00 57.97 62.52 1ek1 h PHE 448 Cb 1.88 0.36 -0.16 0.00 2.79 0.00 0.00 35.95 40.83 1ek1 h PHE 448 CO -0.01 -0.68 0.26 1.88 -2.23 0.00 0.00 178.31 177.53 1ek1 h TYR 449 N -1.23 0.37 0.28 0.41 -1.99 -0.91 0.43 116.97 114.33 1ek1 h TYR 449 Ca -0.12 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1ek1 h TYR 449 Cb 0.91 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.63 1ek1 h TYR 449 CO 0.02 -0.32 -0.19 0.82 -0.00 0.00 0.00 178.16 178.49 1ek1 h ILE 450 N 0.12 0.00 -0.74 -2.88 2.04 -1.01 -0.74 117.51 114.31 1ek1 h ILE 450 Ca 0.64 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.65 1ek1 h ILE 450 Cb 1.40 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.38 1ek1 h ILE 450 CO -0.75 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.01 1ek1 h GLN 451 N -0.44 0.31 0.00 2.37 4.15 0.43 1.09 115.11 123.02 1ek1 h GLN 451 Ca -0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1ek1 h GLN 451 Cb 0.36 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1ek1 h GLN 451 CO 0.03 0.21 -0.07 1.96 -1.93 0.00 0.00 178.83 179.02 1ek1 h GLN 452 N 0.32 0.00 0.00 1.69 1.08 -0.15 -2.65 115.11 115.40 1ek1 h GLN 452 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1ek1 h GLN 452 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1ek1 h GLN 452 CO -0.48 0.07 -1.32 1.19 -0.95 0.00 0.00 178.83 177.35 1ek1 n PHE 453 N -3.87 0.36 0.13 2.96 3.01 0.34 -3.95 117.46 116.44 1ek1 n PHE 453 Ca -0.02 0.10 0.01 0.00 1.01 0.00 0.00 57.45 58.55 1ek1 n PHE 453 Cb 0.16 -0.57 0.32 0.00 -0.01 0.00 0.00 39.48 39.38 1ek1 n PHE 453 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ek1 h LYS 454 N 0.00 0.15 -0.27 -1.08 1.79 -0.20 0.50 116.57 117.45 1ek1 h LYS 454 Ca 0.00 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 1ek1 h LYS 454 Cb 0.87 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1ek1 h LYS 454 CO 0.00 0.46 -0.16 0.87 -1.08 0.00 0.00 179.45 179.54 1ek1 h LYS 455 N 0.13 0.58 0.00 3.15 1.57 -1.68 -3.34 116.57 116.98 1ek1 h LYS 455 Ca 0.02 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1ek1 h LYS 455 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1ek1 h LYS 455 CO 0.05 0.85 -1.39 0.25 -0.57 0.00 0.00 179.45 178.64 1ek1 n THR 456 N -4.41 1.09 -4.47 -0.16 -2.24 -1.03 -5.08 114.28 97.99 1ek1 n THR 456 Ca -0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1ek1 n THR 456 Cb 0.38 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1ek1 n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek1 n GLY 457 N 1.37 -1.47 0.00 3.38 0.00 0.17 -4.48 105.19 104.16 1ek1 n GLY 457 Ca -0.09 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.77 1ek1 n GLY 457 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ek1 n PHE 458 N -0.86 0.00 0.00 1.61 3.01 -1.26 -4.72 117.46 115.24 1ek1 n PHE 458 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ek1 n PHE 458 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1ek1 n PHE 458 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ek1 n ARG 459 N -1.41 0.00 -0.24 -1.08 0.00 -1.26 -1.96 116.66 110.70 1ek1 n ARG 459 Ca 0.01 0.60 0.04 0.00 -0.00 0.00 0.00 57.85 58.50 1ek1 n ARG 459 Cb 0.21 -1.06 0.14 0.00 0.00 0.00 0.00 32.46 31.74 1ek1 n ARG 459 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1ek1 h GLY 460 N 0.00 0.78 1.07 5.14 0.00 -1.84 0.26 103.07 108.49 1ek1 h GLY 460 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ek1 h GLY 460 CO 0.00 -0.26 0.57 -2.55 0.00 0.00 0.00 176.54 174.30 1ek1 h PRO 461 N 0.10 1.23 -0.09 4.80 0.11 -1.69 -2.52 132.00 133.94 1ek1 h PRO 461 Ca 0.38 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1ek1 h PRO 461 Cb 0.66 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1ek1 h PRO 461 CO -0.63 0.85 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.57 1ek1 h LEU 462 N 1.26 0.19 -0.34 2.35 4.07 -0.37 -3.06 115.31 119.40 1ek1 h LEU 462 Ca 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1ek1 h LEU 462 Cb -0.08 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1ek1 h LEU 462 CO -0.07 0.55 0.25 0.59 -1.08 0.00 0.00 178.44 178.68 1ek1 n ASN 463 N -4.07 0.13 0.09 -0.43 4.13 -0.13 -1.35 115.26 113.64 1ek1 n ASN 463 Ca -0.01 0.39 -0.04 0.00 1.68 0.00 0.00 54.58 56.60 1ek1 n ASN 463 Cb 0.44 -0.37 0.16 0.00 -1.54 0.00 0.00 39.78 38.46 1ek1 n ASN 463 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1ek1 h TRP 464 N 0.00 0.27 0.47 3.10 4.06 -1.66 -3.26 115.95 118.93 1ek1 h TRP 464 Ca 0.00 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 1ek1 h TRP 464 Cb 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 1ek1 h TRP 464 CO 0.00 0.72 -0.23 1.88 -3.56 0.00 0.00 178.44 177.25 1ek1 h TYR 465 N 0.17 -0.58 0.00 0.49 0.05 -1.48 -3.37 116.97 112.25 1ek1 h TYR 465 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ek1 h TYR 465 Cb 1.01 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1ek1 h TYR 465 CO 0.02 -0.36 0.00 0.54 -1.05 0.00 0.00 178.16 177.30 1ek1 n ARG 466 N -5.02 0.00 -1.48 4.88 1.74 -1.23 -2.21 116.66 113.34 1ek1 n ARG 466 Ca -0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1ek1 n ARG 466 Cb 0.25 -0.86 0.10 0.00 -1.02 0.00 0.00 32.46 30.92 1ek1 n ARG 466 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ek1 n ASN 467 N -0.01 2.35 -0.18 0.55 3.02 -1.26 -4.89 115.26 114.85 1ek1 n ASN 467 Ca 0.00 -3.18 -0.12 0.00 -0.03 0.00 0.00 54.58 51.26 1ek1 n ASN 467 Cb 0.00 -0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.67 1ek1 n ASN 467 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ek1 h THR 468 N 3.28 0.04 0.49 3.41 2.02 -1.75 -1.19 112.91 119.22 1ek1 h THR 468 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1ek1 h THR 468 Cb 1.37 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1ek1 h THR 468 CO 0.24 0.00 -0.24 -0.08 0.37 0.00 0.00 175.52 175.81 1ek1 h GLU 469 N -0.31 -0.64 -0.20 6.66 4.57 -1.90 -2.92 114.58 119.83 1ek1 h GLU 469 Ca 0.12 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1ek1 h GLU 469 Cb 0.57 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 1ek1 h GLU 469 CO -0.65 -0.35 -0.07 0.07 -1.18 0.00 0.00 179.01 176.83 1ek1 h ARG 470 N -0.85 -0.04 -0.65 1.92 0.11 -1.95 0.18 114.38 113.10 1ek1 h ARG 470 Ca -0.07 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.15 1ek1 h ARG 470 Cb 0.58 0.01 -0.12 0.00 1.11 0.00 0.00 29.97 31.55 1ek1 h ARG 470 CO 0.11 -0.03 -0.12 -0.91 0.10 0.00 0.00 179.97 179.12 1ek1 h ASN 471 N -0.04 -0.53 0.22 0.08 2.35 -1.28 0.48 115.58 116.86 1ek1 h ASN 471 Ca 0.10 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1ek1 h ASN 471 Cb 0.20 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1ek1 h ASN 471 CO -0.23 -0.20 -0.20 -0.25 -1.65 0.00 0.00 177.43 174.90 1ek1 h TRP 472 N 0.02 -0.52 -0.90 1.19 7.01 -1.03 -0.26 115.95 121.46 1ek1 h TRP 472 Ca 0.32 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.57 1ek1 h TRP 472 Cb 0.50 0.20 -0.15 0.00 -2.10 0.00 0.00 29.16 27.62 1ek1 h TRP 472 CO -0.49 -0.30 0.26 -0.22 -2.79 0.00 0.00 178.44 174.89 1ek1 h LYS 473 N -0.44 0.19 0.25 2.65 1.63 0.26 -1.50 116.57 119.61 1ek1 h LYS 473 Ca -0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1ek1 h LYS 473 Cb 0.41 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1ek1 h LYS 473 CO -0.04 0.13 -0.12 2.35 -3.45 0.00 0.00 179.45 178.31 1ek1 h TRP 474 N 0.19 -0.32 0.00 1.91 7.01 0.15 -3.29 115.95 121.61 1ek1 h TRP 474 Ca 0.58 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.57 1ek1 h TRP 474 Cb 1.20 0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.37 1ek1 h TRP 474 CO -0.25 -0.15 0.30 0.77 -2.79 0.00 0.00 178.44 176.32 1ek1 h SER 475 N -1.08 0.00 0.00 2.65 0.02 -0.73 -2.97 113.55 111.44 1ek1 h SER 475 Ca -0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1ek1 h SER 475 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1ek1 h SER 475 CO 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 1ek1 n LYS 477 N 1.73 1.92 -0.27 0.00 5.02 -1.12 -4.64 118.16 120.79 1ek1 n LYS 477 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ek1 n LYS 477 Cb 0.27 -0.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.88 1ek1 n LYS 477 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ek1 n GLY 478 N 0.35 2.06 0.09 0.72 0.00 -0.35 -3.44 105.19 104.62 1ek1 n GLY 478 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1ek1 n GLY 478 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek1 h LEU 479 N 1.10 0.24 0.00 0.99 3.38 -1.82 -3.25 115.31 115.95 1ek1 h LEU 479 Ca 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1ek1 h LEU 479 Cb 1.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ek1 h LEU 479 CO 0.17 1.17 -0.80 1.23 0.09 0.00 0.00 178.44 180.30 1ek1 h GLY 480 N 2.16 0.00 -1.15 0.83 0.00 -1.93 -3.47 103.07 99.51 1ek1 h GLY 480 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.80 1ek1 h GLY 480 CO 0.17 0.00 0.22 0.50 0.00 0.00 0.00 176.54 177.43 1ek1 s ARG 481 N -3.20 2.13 0.03 4.80 0.52 -1.23 -5.12 118.95 116.88 1ek1 s ARG 481 Ca 0.01 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1ek1 s ARG 481 Cb 0.08 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 1ek1 s ARG 481 CO 0.76 -1.27 -0.07 0.21 0.02 0.00 0.00 175.30 174.95 1ek1 s LYS 482 N -5.25 0.49 -0.23 3.54 2.20 -1.26 -4.99 119.74 114.23 1ek1 s LYS 482 Ca 0.61 -0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 55.37 1ek1 s LYS 482 Cb -0.10 -0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1ek1 s LYS 482 CO 0.45 0.05 0.63 0.42 -0.36 0.00 0.00 175.35 176.54 1ek1 s ILE 483 N -1.17 5.00 -0.08 5.43 1.01 -1.08 -4.94 121.20 125.36 1ek1 s ILE 483 Ca -0.08 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.76 1ek1 s ILE 483 Cb -0.09 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 1ek1 s ILE 483 CO 0.00 0.06 -0.01 0.18 0.00 0.00 0.00 174.94 175.17 1ek1 n LEU 484 N 5.48 0.84 -4.66 2.97 4.77 -1.26 -4.40 117.00 120.74 1ek1 n LEU 484 Ca -0.01 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1ek1 n LEU 484 Cb 0.49 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1ek1 n LEU 484 CO 0.43 0.32 0.76 1.33 -1.33 0.00 0.00 177.39 178.90 1ek1 n VAL 485 N -2.42 2.33 -1.48 4.08 0.24 -1.26 -4.81 118.33 115.01 1ek1 n VAL 485 Ca -0.14 -0.50 -0.55 0.00 -2.04 0.00 0.00 64.34 61.11 1ek1 n VAL 485 Cb 0.73 -1.37 -0.06 0.00 -1.47 0.00 0.00 33.84 31.67 1ek1 n VAL 485 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ek1 n PRO 486 N 0.27 0.11 -4.14 7.34 -0.02 -1.25 -4.77 135.00 132.54 1ek1 n PRO 486 Ca 0.07 0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 1ek1 n PRO 486 Cb 0.38 -1.39 -0.11 0.00 -0.02 0.00 0.00 33.50 32.36 1ek1 n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ek1 s ALA 487 N -0.31 0.92 -0.02 3.55 0.00 -1.26 -0.74 121.76 123.89 1ek1 s ALA 487 Ca 0.81 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1ek1 s ALA 487 Cb -1.13 0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1ek1 s ALA 487 CO 0.56 -0.08 0.05 -1.17 0.00 0.00 0.00 175.76 175.12 1ek1 s LEU 488 N -2.33 1.27 -0.22 0.00 0.20 -0.26 -2.21 118.68 115.13 1ek1 s LEU 488 Ca 0.02 0.08 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1ek1 s LEU 488 Cb -0.03 0.04 0.04 0.00 -0.43 0.00 0.00 46.19 45.81 1ek1 s LEU 488 CO -0.01 -0.10 -0.14 -0.32 -0.29 0.00 0.00 176.35 175.50 1ek1 s MET 489 N 0.78 2.41 -0.22 1.98 1.75 -0.64 -1.42 119.30 123.94 1ek1 s MET 489 Ca -0.06 -1.06 -0.05 0.00 -1.25 0.00 0.00 55.69 53.26 1ek1 s MET 489 Cb -0.09 -2.67 -0.02 0.00 2.84 0.00 0.00 34.83 34.89 1ek1 s MET 489 CO -0.03 -0.42 0.01 0.08 -0.65 0.00 0.00 175.02 174.01 1ek1 s VAL 490 N 1.24 3.89 -0.03 10.11 1.01 -1.01 0.29 120.40 135.90 1ek1 s VAL 490 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ek1 s VAL 490 Cb -0.17 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1ek1 s VAL 490 CO -0.08 0.40 0.04 0.42 0.00 0.00 0.00 175.10 175.88 1ek1 s THR 491 N 1.28 4.47 -0.32 3.92 -4.23 0.26 -0.02 115.64 121.01 1ek1 s THR 491 Ca 0.04 -0.40 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 1ek1 s THR 491 Cb -0.15 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 1ek1 s THR 491 CO 0.01 0.44 0.18 0.00 -0.54 0.00 0.00 174.62 174.70 1ek1 s ALA 492 N -1.07 3.34 0.28 3.99 0.00 -1.26 -1.36 121.76 125.68 1ek1 s ALA 492 Ca 0.19 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1ek1 s ALA 492 Cb -0.12 -2.45 0.57 0.00 0.00 0.00 0.00 23.12 21.12 1ek1 s ALA 492 CO 0.09 -0.90 1.58 1.49 0.00 0.00 0.00 175.76 178.03 1ek1 h GLU 493 N 8.39 0.03 -0.82 0.00 4.81 -1.54 -2.82 114.58 122.62 1ek1 h GLU 493 Ca -0.32 -0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.34 1ek1 h GLU 493 Cb 1.15 -0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.18 1ek1 h GLU 493 CO 0.62 0.02 -0.02 1.63 -0.73 0.00 0.00 179.01 180.52 1ek1 n LYS 494 N -5.50 3.05 -2.76 1.92 5.02 -0.98 -4.77 118.16 114.14 1ek1 n LYS 494 Ca 0.18 -3.70 -0.43 0.00 -2.02 0.00 0.00 58.31 52.35 1ek1 n LYS 494 Cb 0.60 -2.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 1ek1 n LYS 494 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ek1 s ASP 495 N -2.73 6.79 0.12 4.39 2.15 -1.07 -4.53 116.67 121.79 1ek1 s ASP 495 Ca 0.56 0.80 -0.21 0.00 0.43 0.00 0.00 52.55 54.13 1ek1 s ASP 495 Cb 0.45 -2.49 -0.06 0.00 -0.30 0.00 0.00 42.92 40.53 1ek1 s ASP 495 CO 0.02 -0.82 1.70 0.40 -0.17 0.00 0.00 175.17 176.30 1ek1 h ILE 496 N 5.74 0.80 -3.59 4.11 5.03 -1.91 -3.16 117.51 124.53 1ek1 h ILE 496 Ca -0.22 0.00 -0.67 0.00 -0.12 0.00 0.00 64.86 63.85 1ek1 h ILE 496 Cb 1.07 0.80 -0.16 0.00 -3.03 0.00 0.00 36.82 35.50 1ek1 h ILE 496 CO 0.99 0.00 -0.75 0.54 -0.68 0.00 0.00 178.15 178.25 1ek1 s VAL 497 N -6.19 3.29 -0.42 1.67 0.11 -1.26 -4.50 120.40 113.10 1ek1 s VAL 497 Ca -0.14 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.61 1ek1 s VAL 497 Cb 0.09 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1ek1 s VAL 497 CO 0.68 0.12 0.11 0.18 -3.33 0.00 0.00 175.10 172.85 1ek1 n LEU 498 N 0.75 -1.65 -4.72 2.54 4.77 -1.26 -5.01 117.00 112.42 1ek1 n LEU 498 Ca -0.14 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 1ek1 n LEU 498 Cb 0.52 -1.14 0.12 0.00 -2.33 0.00 0.00 43.42 40.60 1ek1 n LEU 498 CO 0.32 0.02 0.70 -0.60 -1.33 0.00 0.00 177.39 176.51 1ek1 s ARG 499 N -4.65 1.69 0.23 3.23 3.52 -1.19 -4.80 118.95 116.97 1ek1 s ARG 499 Ca 0.05 1.42 -0.06 0.00 -0.13 0.00 0.00 55.73 57.02 1ek1 s ARG 499 Cb -0.02 -1.81 0.39 0.00 -1.56 0.00 0.00 34.95 31.94 1ek1 s ARG 499 CO 0.07 -2.11 1.76 -1.35 -0.81 0.00 0.00 175.30 172.85 1ek1 h PRO 500 N -1.34 0.53 -1.00 5.12 0.11 -1.84 -2.90 132.00 130.68 1ek1 h PRO 500 Ca -0.44 -0.03 0.39 0.00 0.11 0.00 0.00 66.00 66.03 1ek1 h PRO 500 Cb 1.26 -0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1ek1 h PRO 500 CO 0.47 0.35 0.53 0.93 -0.21 0.00 0.00 178.00 180.07 1ek1 h GLU 501 N 0.55 0.07 0.00 1.05 3.07 -1.97 -0.25 114.58 117.10 1ek1 h GLU 501 Ca 0.38 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1ek1 h GLU 501 Cb 0.48 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1ek1 h GLU 501 CO -0.32 0.05 0.00 -1.33 -1.40 0.00 0.00 179.01 176.01 1ek1 n MET 502 N -5.22 0.34 -0.03 2.33 0.00 -1.10 -2.50 117.12 110.94 1ek1 n MET 502 Ca 0.36 0.01 0.04 0.00 0.00 0.00 0.00 57.70 58.11 1ek1 n MET 502 Cb 1.21 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.97 1ek1 n MET 502 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ek1 n SER 503 N -1.01 1.84 0.29 7.83 3.41 -0.10 -4.66 113.62 121.22 1ek1 n SER 503 Ca 0.08 -1.47 0.15 0.00 -0.26 0.00 0.00 58.87 57.37 1ek1 n SER 503 Cb 0.04 -0.04 0.91 0.00 -0.26 0.00 0.00 64.21 64.86 1ek1 n SER 503 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1ek1 h LYS 504 N 1.40 0.00 0.00 4.33 2.10 -1.63 -2.77 116.57 120.00 1ek1 h LYS 504 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1ek1 h LYS 504 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1ek1 h LYS 504 CO 0.00 0.02 -1.13 -0.91 -2.00 0.00 0.00 179.45 175.43 1ek1 h ASN 505 N 0.00 0.00 -0.34 7.07 4.21 -1.84 -3.42 115.58 121.25 1ek1 h ASN 505 Ca -0.00 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 1ek1 h ASN 505 Cb 0.05 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.19 1ek1 h ASN 505 CO 0.00 0.22 -0.11 0.23 -1.29 0.00 0.00 177.43 176.48 1ek1 n MET 506 N -2.77 -0.05 0.00 0.81 2.81 -1.05 0.15 117.12 117.02 1ek1 n MET 506 Ca -0.03 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1ek1 n MET 506 Cb 0.66 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 1ek1 n MET 506 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1ek1 n GLU 507 N -4.53 0.00 0.14 0.03 0.00 -1.26 0.13 120.64 115.15 1ek1 n GLU 507 Ca 0.05 0.25 0.01 0.00 0.00 0.00 0.00 57.16 57.47 1ek1 n GLU 507 Cb 0.16 -1.52 0.13 0.00 0.00 0.00 0.00 31.44 30.21 1ek1 n GLU 507 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1ek1 h LYS 508 N 0.00 0.00 0.00 3.44 3.64 -0.65 -3.28 116.57 119.72 1ek1 h LYS 508 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1ek1 h LYS 508 Cb 0.04 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 1ek1 h LYS 508 CO 0.00 0.59 -2.30 0.91 -2.27 0.00 0.00 179.45 176.38 1ek1 n TRP 509 N -3.47 0.00 -3.91 1.91 7.02 0.36 -4.82 117.44 114.52 1ek1 n TRP 509 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 1ek1 n TRP 509 Cb 0.68 -0.87 -0.12 0.00 -2.42 0.00 0.00 31.31 28.57 1ek1 n TRP 509 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ek1 s ILE 510 N -2.45 2.85 0.52 -0.99 1.01 0.27 -2.64 121.20 119.77 1ek1 s ILE 510 Ca -0.31 -4.09 -0.22 0.00 0.00 0.00 0.00 60.65 56.04 1ek1 s ILE 510 Cb 0.08 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 1ek1 s ILE 510 CO 0.52 -0.96 1.30 -2.16 0.00 0.00 0.00 174.94 173.64 1ek1 s PRO 511 N -1.22 3.30 0.00 2.79 0.04 -1.24 -1.52 135.00 137.14 1ek1 s PRO 511 Ca 0.23 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1ek1 s PRO 511 Cb -0.09 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1ek1 s PRO 511 CO -0.13 -1.02 0.00 1.19 0.04 0.00 0.00 177.00 177.08 1ek1 n PHE 512 N -0.90 0.00 -1.52 0.56 3.72 -1.26 -4.94 117.46 113.11 1ek1 n PHE 512 Ca 0.10 0.00 -0.59 0.00 -0.05 0.00 0.00 57.45 56.90 1ek1 n PHE 512 Cb 0.46 -0.17 -0.09 0.00 -0.94 0.00 0.00 39.48 38.74 1ek1 n PHE 512 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1ek1 n LEU 513 N 0.00 0.83 -4.92 4.37 0.00 -0.58 -4.86 117.00 111.84 1ek1 n LEU 513 Ca 0.00 1.06 -0.26 0.00 0.00 0.00 0.00 56.01 56.82 1ek1 n LEU 513 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 43.42 42.61 1ek1 n LEU 513 CO 0.00 -0.98 0.28 -0.54 0.00 0.00 0.00 177.39 176.15 1ek1 s LYS 514 N 2.07 3.53 0.13 1.96 -0.14 -0.94 -4.95 119.74 121.40 1ek1 s LYS 514 Ca 0.92 -0.07 0.10 0.00 -1.36 0.00 0.00 55.97 55.55 1ek1 s LYS 514 Cb -1.30 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.26 1ek1 s LYS 514 CO 0.69 0.02 -0.25 1.03 -0.76 0.00 0.00 175.35 176.08 1ek1 s ARG 515 N -4.36 1.33 -0.01 1.68 3.00 -1.26 -1.62 118.95 117.70 1ek1 s ARG 515 Ca 0.43 -1.31 0.01 0.00 0.00 0.00 0.00 55.73 54.87 1ek1 s ARG 515 Cb -0.10 -1.75 0.01 0.00 0.00 0.00 0.00 34.95 33.11 1ek1 s ARG 515 CO 0.38 0.41 -0.03 0.20 0.00 0.00 0.00 175.30 176.26 1ek1 s GLY 516 N -2.05 0.24 -0.04 -3.53 0.00 0.14 -4.91 107.32 97.18 1ek1 s GLY 516 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 1ek1 s GLY 516 CO 0.06 0.06 0.05 -1.58 0.00 0.00 0.00 173.10 171.68 1ek1 s HIS 517 N 0.23 0.18 -0.25 1.90 5.04 -1.26 0.93 115.29 122.05 1ek1 s HIS 517 Ca -0.02 0.17 -0.05 0.00 -1.54 0.00 0.00 55.06 53.61 1ek1 s HIS 517 Cb -0.06 -0.53 -0.01 0.00 0.04 0.00 0.00 32.58 32.03 1ek1 s HIS 517 CO -0.00 -0.21 0.02 0.42 -2.34 0.00 0.00 174.74 172.63 1ek1 s ILE 518 N 2.05 3.77 0.65 0.89 1.01 -0.47 -4.97 121.20 124.14 1ek1 s ILE 518 Ca 0.04 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1ek1 s ILE 518 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1ek1 s ILE 518 CO -0.03 0.29 1.07 -1.61 0.00 0.00 0.00 174.94 174.66 1ek1 s GLU 519 N 1.51 2.99 -1.64 2.79 0.41 -1.26 -1.55 118.70 121.95 1ek1 s GLU 519 Ca 0.05 1.19 -0.02 0.00 -0.41 0.00 0.00 54.97 55.78 1ek1 s GLU 519 Cb -0.15 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 1ek1 s GLU 519 CO 0.00 -1.07 0.20 -0.25 -0.49 0.00 0.00 175.26 173.65 1ek1 n ASP 520 N -2.54 -5.76 -4.92 -0.19 9.92 -1.26 -4.85 116.55 106.95 1ek1 n ASP 520 Ca 0.09 -0.09 -0.28 0.00 -0.53 0.00 0.00 54.79 53.97 1ek1 n ASP 520 Cb 0.53 -4.76 -0.03 0.00 -0.64 0.00 0.00 41.12 36.22 1ek1 n ASP 520 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ek1 n GLY 522 N -0.57 2.94 0.14 0.00 0.00 -1.26 -2.33 105.19 104.11 1ek1 n GLY 522 Ca -0.04 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.03 1ek1 n GLY 522 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ek1 h HIS 523 N 0.02 0.00 -1.02 1.61 2.76 -1.85 -3.38 115.15 113.29 1ek1 h HIS 523 Ca 0.00 0.00 -0.74 0.00 -2.20 0.00 0.00 60.37 57.43 1ek1 h HIS 523 Cb 0.00 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 28.84 1ek1 h HIS 523 CO 0.00 0.11 2.40 0.91 -1.30 0.00 0.00 177.93 180.05 1ek1 n TRP 524 N -2.86 2.94 0.43 5.26 5.03 -1.26 -4.85 117.44 122.12 1ek1 n TRP 524 Ca 0.00 -2.84 -0.20 0.00 3.03 0.00 0.00 57.50 57.49 1ek1 n TRP 524 Cb 0.59 -2.07 -0.10 0.00 -1.03 0.00 0.00 31.31 28.71 1ek1 n TRP 524 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 1ek1 h THR 525 N 3.55 0.00 -0.09 -0.99 2.02 -1.96 -0.25 112.91 115.19 1ek1 h THR 525 Ca 0.50 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.71 1ek1 h THR 525 Cb 0.56 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1ek1 h THR 525 CO 1.66 0.00 -0.07 1.56 0.37 0.00 0.00 175.52 179.05 1ek1 h GLN 526 N -1.21 -0.07 0.00 6.66 7.50 -1.89 0.24 115.11 126.35 1ek1 h GLN 526 Ca -0.10 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.02 1ek1 h GLN 526 Cb 0.97 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.51 1ek1 h GLN 526 CO 0.09 -0.05 -0.14 0.82 -1.50 0.00 0.00 178.83 178.06 1ek1 h ILE 527 N -0.07 0.41 0.02 2.54 5.03 -1.82 -3.03 117.51 120.59 1ek1 h ILE 527 Ca 0.06 -0.79 -0.37 0.00 -0.12 0.00 0.00 64.86 63.64 1ek1 h ILE 527 Cb 0.16 1.57 -0.05 0.00 -3.03 0.00 0.00 36.82 35.47 1ek1 h ILE 527 CO -0.14 0.14 -2.05 1.21 -0.68 0.00 0.00 178.15 176.62 1ek1 n GLU 528 N -3.37 0.61 -3.51 2.37 2.13 -0.10 -4.71 120.64 114.06 1ek1 n GLU 528 Ca -0.00 0.35 -0.27 0.00 0.66 0.00 0.00 57.16 57.90 1ek1 n GLU 528 Cb 0.34 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.35 1ek1 n GLU 528 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ek1 n LYS 529 N -4.07 1.34 -0.03 5.31 4.76 0.79 -4.98 118.16 121.29 1ek1 n LYS 529 Ca -0.43 -3.93 -0.07 0.00 -2.87 0.00 0.00 58.31 51.00 1ek1 n LYS 529 Cb 0.86 -1.90 -0.06 0.00 -1.84 0.00 0.00 35.03 32.09 1ek1 n LYS 529 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1ek1 h PRO 530 N 4.87 -0.07 -1.16 1.97 0.14 -1.67 -2.68 132.00 133.41 1ek1 h PRO 530 Ca 0.18 0.00 0.41 0.00 0.14 0.00 0.00 66.00 66.73 1ek1 h PRO 530 Cb 0.80 0.01 -0.15 0.00 0.14 0.00 0.00 31.00 31.80 1ek1 h PRO 530 CO 0.60 0.37 0.70 0.00 0.14 0.00 0.00 178.00 179.82 1ek1 h THR 531 N -0.98 0.12 0.23 1.56 1.03 -1.93 0.45 112.91 113.39 1ek1 h THR 531 Ca -0.01 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.35 1ek1 h THR 531 Cb 0.47 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.55 1ek1 h THR 531 CO 0.01 0.02 -0.11 1.05 -0.01 0.00 0.00 175.52 176.48 1ek1 h GLU 532 N 0.10 -0.30 -0.81 0.00 9.09 -1.98 -2.64 114.58 118.04 1ek1 h GLU 532 Ca 0.82 0.02 0.19 0.00 0.05 0.00 0.00 59.36 60.43 1ek1 h GLU 532 Cb 2.31 0.07 -0.15 0.00 -1.65 0.00 0.00 28.75 29.33 1ek1 h GLU 532 CO -0.56 -0.20 -0.12 0.28 0.05 0.00 0.00 179.01 178.45 1ek1 n VAL 533 N -3.43 -0.34 0.00 -1.06 0.31 0.97 -0.41 118.33 114.37 1ek1 n VAL 533 Ca -0.04 1.84 0.00 0.00 -0.01 0.00 0.00 64.34 66.13 1ek1 n VAL 533 Cb 0.12 -2.60 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 1ek1 n VAL 533 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ek1 n ASN 534 N -5.27 0.00 -0.01 4.52 3.02 0.12 -0.68 115.26 116.96 1ek1 n ASN 534 Ca 0.15 0.82 -0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1ek1 n ASN 534 Cb 0.49 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1ek1 n ASN 534 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ek1 n GLN 535 N -1.72 -0.01 -0.13 3.52 6.02 0.45 0.00 117.38 125.51 1ek1 n GLN 535 Ca 0.00 0.40 -0.09 0.00 -0.01 0.00 0.00 57.00 57.31 1ek1 n GLN 535 Cb 0.00 -0.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 1ek1 n GLN 535 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ek1 h ILE 536 N 0.00 0.16 -0.51 5.09 2.04 -1.37 0.29 117.51 123.22 1ek1 h ILE 536 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1ek1 h ILE 536 Cb 0.01 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.18 1ek1 h ILE 536 CO -0.03 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.12 1ek1 h LEU 537 N -0.29 -0.08 0.56 1.44 3.38 0.19 0.39 115.31 120.91 1ek1 h LEU 537 Ca 0.16 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1ek1 h LEU 537 Cb 0.56 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1ek1 h LEU 537 CO -0.56 -0.01 -0.27 0.40 0.09 0.00 0.00 178.44 178.08 1ek1 h ILE 538 N 0.19 0.00 -1.57 1.22 2.04 -0.33 -2.03 117.51 117.03 1ek1 h ILE 538 Ca 0.26 -0.23 0.47 0.00 1.00 0.00 0.00 64.86 66.35 1ek1 h ILE 538 Cb 0.37 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.36 1ek1 h ILE 538 CO -0.37 0.00 1.10 0.11 0.00 0.00 0.00 178.15 178.99 1ek1 h LYS 539 N -0.99 0.04 0.46 2.37 6.56 -0.17 0.72 116.57 125.56 1ek1 h LYS 539 Ca -0.08 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1ek1 h LYS 539 Cb 0.58 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1ek1 h LYS 539 CO 0.13 0.02 -0.22 2.35 -2.06 0.00 0.00 179.45 179.67 1ek1 h TRP 540 N 0.04 -0.58 -0.97 -1.35 7.01 -0.04 -1.31 115.95 118.75 1ek1 h TRP 540 Ca 0.80 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.89 1ek1 h TRP 540 Cb 2.99 0.19 -0.08 0.00 -2.10 0.00 0.00 29.16 30.16 1ek1 h TRP 540 CO -0.00 -0.36 0.60 -0.07 -2.79 0.00 0.00 178.44 175.82 1ek1 h LEU 541 N -1.11 0.90 0.00 0.65 3.38 0.64 0.11 115.31 119.87 1ek1 h LEU 541 Ca -0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ek1 h LEU 541 Cb 0.48 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ek1 h LEU 541 CO 0.10 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1ek1 n GLN 542 N -4.62 0.00 0.00 1.13 1.13 0.20 -4.12 117.38 111.10 1ek1 n GLN 542 Ca 0.17 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1ek1 n GLN 542 Cb 0.30 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.40 1ek1 n GLN 542 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ek1 n THR 543 N -1.30 0.00 0.99 5.09 -2.24 -0.49 -5.07 114.28 111.25 1ek1 n THR 543 Ca 0.00 0.91 0.12 0.00 -2.27 0.00 0.00 64.05 62.81 1ek1 n THR 543 Cb 0.00 -1.45 0.10 0.00 -2.10 0.00 0.00 70.33 66.87 1ek1 n THR 543 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88