#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3j n PRO 6 N 0.00 -1.78 -3.77 -0.14 -0.04 -1.26 -5.03 135.00 122.98 3k3j n PRO 6 Ca 0.00 -0.71 -0.35 0.00 -0.04 0.00 0.00 63.50 62.40 3k3j n PRO 6 Cb 0.00 -0.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 3k3j n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k3j s THR 7 N -1.82 5.22 0.30 0.52 2.01 -1.26 -5.01 115.64 115.60 3k3j s THR 7 Ca 0.29 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.42 3k3j s THR 7 Cb -0.03 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3k3j s THR 7 CO 0.22 0.42 0.48 -0.36 -0.69 0.00 0.00 174.62 174.68 3k3j s PHE 8 N 0.59 3.49 0.02 4.92 0.40 -1.26 -0.63 117.98 125.51 3k3j s PHE 8 Ca 0.07 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 3k3j s PHE 8 Cb -0.12 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3k3j s PHE 8 CO 0.00 0.24 -0.04 1.52 0.70 0.00 0.00 175.22 177.64 3k3j s TYR 9 N -2.16 0.38 -0.09 0.36 1.13 -0.37 -4.88 117.35 111.72 3k3j s TYR 9 Ca 0.38 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.60 3k3j s TYR 9 Cb -0.10 -0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.49 3k3j s TYR 9 CO 0.33 -0.12 -0.01 0.50 -2.51 0.00 0.00 175.55 173.74 3k3j s ARG 10 N -1.23 3.04 0.07 -3.49 3.52 -1.26 -2.21 118.95 117.38 3k3j s ARG 10 Ca -0.11 -0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 54.97 3k3j s ARG 10 Cb -0.08 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.52 3k3j s ARG 10 CO -0.00 0.64 0.15 1.14 -0.81 0.00 0.00 175.30 176.42 3k3j s GLN 11 N -0.71 0.75 -0.04 5.12 -2.07 -0.41 -5.00 119.66 117.30 3k3j s GLN 11 Ca 0.11 -0.89 -0.13 0.00 -1.82 0.00 0.00 55.36 52.64 3k3j s GLN 11 Cb -0.12 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 3k3j s GLN 11 CO 0.02 -0.22 0.33 -2.00 -1.32 0.00 0.00 175.29 172.10 3k3j s GLU 12 N -3.41 3.80 -0.33 9.60 2.12 -1.26 -0.59 118.70 128.63 3k3j s GLU 12 Ca 0.02 0.25 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 3k3j s GLU 12 Cb 0.03 -3.22 0.12 0.00 0.26 0.00 0.00 34.13 31.32 3k3j s GLU 12 CO -0.08 0.70 0.18 -0.51 -0.54 0.00 0.00 175.26 175.00 3k3j s LEU 13 N -1.00 0.85 -0.77 2.70 1.02 0.16 -4.94 118.68 116.71 3k3j s LEU 13 Ca 0.21 -1.81 -0.01 0.00 0.02 0.00 0.00 54.13 52.54 3k3j s LEU 13 Cb -0.15 -0.40 -0.01 0.00 0.02 0.00 0.00 46.19 45.65 3k3j s LEU 13 CO 0.10 -0.36 0.71 0.59 0.02 0.00 0.00 176.35 177.41 3k3j n ASN 14 N 4.55 -7.43 -2.82 2.29 4.13 -1.26 -2.95 115.26 111.78 3k3j n ASN 14 Ca 0.04 -0.18 -0.17 0.00 1.68 0.00 0.00 54.58 55.95 3k3j n ASN 14 Cb 0.39 -5.16 -0.00 0.00 -1.54 0.00 0.00 39.78 33.47 3k3j n ASN 14 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3k3j n LYS 15 N -2.00 -2.89 -3.57 3.52 2.85 -1.26 -4.93 118.16 109.88 3k3j n LYS 15 Ca -0.01 0.59 -0.12 0.00 -1.05 0.00 0.00 58.31 57.72 3k3j n LYS 15 Cb 0.52 -5.25 -0.11 0.00 -0.65 0.00 0.00 35.03 29.54 3k3j n LYS 15 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3k3j s THR 16 N -2.78 -0.52 0.48 0.58 2.01 -1.15 -5.15 115.64 109.11 3k3j s THR 16 Ca 0.17 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 3k3j s THR 16 Cb -0.09 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 3k3j s THR 16 CO 0.21 0.01 1.03 0.27 -0.69 0.00 0.00 174.62 175.45 3k3j s ILE 17 N 2.49 3.85 -0.06 1.82 -5.25 -1.26 0.38 121.20 123.17 3k3j s ILE 17 Ca 0.04 1.15 -0.02 0.00 -0.99 0.00 0.00 60.65 60.83 3k3j s ILE 17 Cb -0.13 -3.46 0.03 0.00 2.95 0.00 0.00 42.46 41.84 3k3j s ILE 17 CO -0.12 -0.25 0.03 0.26 -1.79 0.00 0.00 174.94 173.07 3k3j s TRP 18 N -2.00 0.41 -0.36 1.37 0.52 0.25 -4.88 118.94 114.24 3k3j s TRP 18 Ca 0.67 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.81 3k3j s TRP 18 Cb -0.16 -0.66 0.10 0.00 -1.15 0.00 0.00 33.47 31.60 3k3j s TRP 18 CO 0.19 -0.27 0.10 -2.00 0.02 0.00 0.00 176.95 174.99 3k3j s GLU 19 N 2.06 1.82 0.17 4.98 2.12 -1.26 -1.29 118.70 127.30 3k3j s GLU 19 Ca 0.05 -1.77 0.10 0.00 0.36 0.00 0.00 54.97 53.71 3k3j s GLU 19 Cb -0.12 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3k3j s GLU 19 CO -0.04 -0.94 -0.22 0.14 -0.54 0.00 0.00 175.26 173.65 3k3j s VAL 20 N 1.04 2.11 0.69 3.70 -7.23 -0.94 -4.55 120.40 115.23 3k3j s VAL 20 Ca 0.07 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 3k3j s VAL 20 Cb -0.21 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.77 3k3j s VAL 20 CO -0.06 -0.15 1.20 -2.65 -0.31 0.00 0.00 175.10 173.13 3k3j n PRO 21 N 0.43 0.82 0.30 4.82 -0.02 -1.26 -1.24 135.00 138.86 3k3j n PRO 21 Ca -0.14 0.34 0.17 0.00 -2.02 0.00 0.00 63.50 61.85 3k3j n PRO 21 Cb 0.56 -2.44 0.97 0.00 -0.02 0.00 0.00 33.50 32.57 3k3j n PRO 21 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3k3j h GLU 22 N 0.13 0.00 -0.50 -0.52 4.57 -1.21 -0.76 114.58 116.28 3k3j h GLU 22 Ca -0.49 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.82 3k3j h GLU 22 Cb 1.33 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 3k3j h GLU 22 CO 0.50 0.01 0.36 0.07 -1.18 0.00 0.00 179.01 178.77 3k3j h ARG 23 N 0.00 0.08 -4.95 1.92 0.11 -1.91 -3.39 114.38 106.23 3k3j h ARG 23 Ca -0.00 -0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.43 3k3j h ARG 23 Cb 0.03 -0.02 -0.19 0.00 1.11 0.00 0.00 29.97 30.90 3k3j h ARG 23 CO 0.00 0.05 -0.57 0.71 0.10 0.00 0.00 179.97 180.27 3k3j s TYR 24 N -5.09 3.17 0.24 4.08 2.02 -0.29 -0.54 117.35 120.93 3k3j s TYR 24 Ca -0.06 -0.10 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 3k3j s TYR 24 Cb 0.19 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3k3j s TYR 24 CO 0.73 -0.21 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.73 3k3j s GLN 25 N 1.58 1.43 -1.18 -0.62 -1.52 -0.72 -4.81 119.66 113.82 3k3j s GLN 25 Ca 0.06 -1.67 -0.12 0.00 -1.95 0.00 0.00 55.36 51.69 3k3j s GLN 25 Cb -0.15 -1.18 -0.02 0.00 -0.22 0.00 0.00 33.01 31.44 3k3j s GLN 25 CO 0.07 0.15 0.77 0.09 -0.25 0.00 0.00 175.29 176.12 3k3j n ASN 26 N -0.47 -4.29 -4.73 5.90 4.13 -1.26 -1.20 115.26 113.34 3k3j n ASN 26 Ca -0.07 -0.91 -0.42 0.00 1.68 0.00 0.00 54.58 54.86 3k3j n ASN 26 Cb 0.61 -3.86 -0.03 0.00 -1.54 0.00 0.00 39.78 34.97 3k3j n ASN 26 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3k3j s LEU 27 N -6.35 4.39 -0.17 3.41 1.02 -1.26 -4.42 118.68 115.31 3k3j s LEU 27 Ca 0.33 2.43 -0.05 0.00 0.02 0.00 0.00 54.13 56.86 3k3j s LEU 27 Cb -0.10 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.57 3k3j s LEU 27 CO 0.83 -0.62 0.10 -0.55 0.02 0.00 0.00 176.35 176.13 3k3j s SER 28 N 0.68 2.25 0.30 2.29 0.15 -0.27 -4.94 113.70 114.16 3k3j s SER 28 Ca 0.61 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 56.42 3k3j s SER 28 Cb -0.38 -0.20 -0.14 0.00 -1.71 0.00 0.00 66.02 63.59 3k3j s SER 28 CO 0.36 -0.35 0.76 -2.65 1.20 0.00 0.00 173.24 172.56 3k3j n PRO 29 N 5.28 0.79 0.00 5.44 -0.02 -1.26 -0.58 135.00 144.66 3k3j n PRO 29 Ca -0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3k3j n PRO 29 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3k3j n PRO 29 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3k3j n VAL 30 N -0.12 0.00 0.00 -1.45 3.14 0.07 -4.75 118.33 115.22 3k3j n VAL 30 Ca 0.12 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3k3j n VAL 30 Cb 0.32 1.06 0.00 0.00 -1.06 0.00 0.00 33.84 34.16 3k3j n VAL 30 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k3j n GLY 31 N 0.24 3.48 3.03 7.55 0.00 -1.24 -5.02 105.19 113.23 3k3j n GLY 31 Ca 0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 3k3j n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k3j s SER 32 N 0.00 0.79 0.00 1.61 0.01 -1.26 -3.07 113.70 111.78 3k3j s SER 32 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 3k3j s SER 32 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.22 3k3j s SER 32 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 3k3j n GLY 33 N 2.04 0.04 0.00 3.44 0.00 -1.26 -5.07 105.19 104.39 3k3j n GLY 33 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3k3j n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3j n GLY 36 N 3.31 0.00 3.70 -0.02 0.00 -1.26 -5.05 105.19 105.87 3k3j n GLY 36 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3k3j n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k3j s SER 37 N 0.00 4.99 -0.04 1.61 1.04 -0.52 -4.90 113.70 115.88 3k3j s SER 37 Ca 0.00 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.17 3k3j s SER 37 Cb 0.00 -1.14 -0.00 0.00 0.10 0.00 0.00 66.02 64.97 3k3j s SER 37 CO 0.00 0.09 -0.16 -0.69 0.98 0.00 0.00 173.24 173.46 3k3j s VAL 38 N -1.69 1.35 0.09 5.02 1.01 -1.17 -0.48 120.40 124.53 3k3j s VAL 38 Ca 0.28 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.68 3k3j s VAL 38 Cb -0.10 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3k3j s VAL 38 CO 0.20 0.39 -0.22 0.00 0.00 0.00 0.00 175.10 175.47 3k3j s ALA 40 N -1.01 3.04 0.26 0.00 0.00 0.25 -1.30 121.76 123.01 3k3j s ALA 40 Ca 0.15 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 3k3j s ALA 40 Cb -0.10 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3k3j s ALA 40 CO 0.06 -0.05 0.42 0.00 0.00 0.00 0.00 175.76 176.19 3k3j s ALA 41 N -1.89 0.26 -0.17 0.00 0.00 -0.01 -1.12 121.76 118.83 3k3j s ALA 41 Ca 0.60 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 3k3j s ALA 41 Cb -0.16 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 3k3j s ALA 41 CO 0.20 -0.79 -0.04 0.12 0.00 0.00 0.00 175.76 175.25 3k3j s PHE 42 N -3.78 2.99 -0.44 0.00 5.36 -0.34 -0.37 117.98 121.40 3k3j s PHE 42 Ca 0.27 -0.45 -0.20 0.00 -0.96 0.00 0.00 56.93 55.59 3k3j s PHE 42 Cb 0.01 -1.99 0.03 0.00 -0.34 0.00 0.00 43.02 40.72 3k3j s PHE 42 CO 0.12 -0.17 0.60 0.34 -1.46 0.00 0.00 175.22 174.66 3k3j s ASP 43 N 0.66 6.29 0.33 6.13 -1.08 0.11 -1.75 116.67 127.35 3k3j s ASP 43 Ca -0.02 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.80 3k3j s ASP 43 Cb -0.14 -2.30 1.04 0.00 -1.46 0.00 0.00 42.92 40.06 3k3j s ASP 43 CO 0.02 -0.76 1.78 0.71 0.52 0.00 0.00 175.17 177.45 3k3j h THR 44 N 5.85 0.00 -0.07 1.71 1.35 -1.12 0.25 112.91 120.88 3k3j h THR 44 Ca -0.26 -0.35 -0.17 0.00 -0.55 0.00 0.00 66.41 65.08 3k3j h THR 44 Cb 1.10 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3k3j h THR 44 CO 0.88 0.00 -0.70 0.50 -0.25 0.00 0.00 175.52 175.95 3k3j h LYS 45 N 0.00 0.32 0.00 4.72 1.63 -1.92 -3.36 116.57 117.96 3k3j h LYS 45 Ca 0.00 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 3k3j h LYS 45 Cb 0.46 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3k3j h LYS 45 CO 0.00 0.90 -1.26 0.25 -3.45 0.00 0.00 179.45 175.89 3k3j n THR 46 N -3.83 0.08 -0.88 1.00 -2.24 -1.04 -5.02 114.28 102.36 3k3j n THR 46 Ca -0.03 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3k3j n THR 46 Cb 0.69 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3k3j n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3j n GLY 47 N 2.33 0.49 3.73 3.38 0.00 0.84 -5.05 105.19 110.90 3k3j n GLY 47 Ca -0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3k3j n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3j s LEU 48 N 0.00 3.61 -0.02 0.99 1.43 -1.19 -4.88 118.68 118.62 3k3j s LEU 48 Ca 0.00 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 3k3j s LEU 48 Cb 0.00 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3k3j s LEU 48 CO 0.00 0.16 1.21 -0.13 0.23 0.00 0.00 176.35 177.82 3k3j s ARG 49 N -2.46 4.37 0.29 1.70 1.81 -1.26 0.04 118.95 123.44 3k3j s ARG 49 Ca 0.28 1.71 0.11 0.00 -1.72 0.00 0.00 55.73 56.11 3k3j s ARG 49 Cb -0.12 -3.50 -0.05 0.00 -0.45 0.00 0.00 34.95 30.83 3k3j s ARG 49 CO 0.20 -0.40 -0.17 0.14 -0.68 0.00 0.00 175.30 174.40 3k3j s VAL 50 N 1.90 2.35 -0.18 3.52 -7.23 0.50 -2.25 120.40 119.02 3k3j s VAL 50 Ca 0.57 -2.35 -0.04 0.00 -1.81 0.00 0.00 61.98 58.35 3k3j s VAL 50 Cb -0.26 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 3k3j s VAL 50 CO 0.24 -0.37 -0.02 0.00 -0.31 0.00 0.00 175.10 174.64 3k3j s ALA 51 N -2.58 2.99 -0.20 1.32 0.00 0.22 -0.83 121.76 122.68 3k3j s ALA 51 Ca 0.30 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3k3j s ALA 51 Cb -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3k3j s ALA 51 CO 0.15 -0.02 -0.10 0.08 0.00 0.00 0.00 175.76 175.87 3k3j s VAL 52 N 0.77 2.92 -0.22 0.00 1.01 -0.42 -0.40 120.40 124.05 3k3j s VAL 52 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3k3j s VAL 52 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3k3j s VAL 52 CO 0.02 0.47 0.03 -0.75 0.00 0.00 0.00 175.10 174.87 3k3j s LYS 53 N 1.34 3.64 -0.31 2.72 2.20 0.56 -1.19 119.74 128.71 3k3j s LYS 53 Ca 0.04 -0.50 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 3k3j s LYS 53 Cb -0.14 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3k3j s LYS 53 CO -0.06 -0.07 0.47 0.21 -0.36 0.00 0.00 175.35 175.55 3k3j s LYS 54 N 1.24 3.80 0.32 4.03 2.20 0.37 -0.95 119.74 130.76 3k3j s LYS 54 Ca 0.04 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 3k3j s LYS 54 Cb -0.15 -3.74 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 3k3j s LYS 54 CO 0.02 -0.49 1.24 -0.51 -0.36 0.00 0.00 175.35 175.25 3k3j s LEU 55 N 2.28 4.45 -0.09 5.43 1.43 -0.64 -1.44 118.68 130.10 3k3j s LEU 55 Ca 0.18 2.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.71 3k3j s LEU 55 Cb -0.16 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 3k3j s LEU 55 CO 0.11 -0.43 0.30 -0.94 0.23 0.00 0.00 176.35 175.63 3k3j s SER 56 N -0.63 6.56 -1.42 2.29 1.04 -1.26 -4.51 113.70 115.77 3k3j s SER 56 Ca 0.48 0.67 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 3k3j s SER 56 Cb -0.37 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 63.58 3k3j s SER 56 CO 0.49 0.25 0.30 0.54 0.98 0.00 0.00 173.24 175.81 3k3j n ARG 57 N 2.56 -1.47 0.31 4.02 1.74 -1.26 -4.78 116.66 117.78 3k3j n ARG 57 Ca -0.15 0.20 0.19 0.00 -0.77 0.00 0.00 57.85 57.32 3k3j n ARG 57 Cb 0.53 -3.68 1.04 0.00 -1.02 0.00 0.00 32.46 29.33 3k3j n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3k3j h PRO 58 N -1.98 0.00 0.00 5.56 0.13 -1.82 -2.43 132.00 131.46 3k3j h PRO 58 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3k3j h PRO 58 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3k3j h PRO 58 CO 0.63 0.01 -0.10 1.19 -0.23 0.00 0.00 178.00 179.51 3k3j n PHE 59 N -3.44 0.00 -0.20 1.56 3.01 -1.26 -2.45 117.46 114.68 3k3j n PHE 59 Ca -0.03 -0.63 0.19 0.00 1.01 0.00 0.00 57.45 58.00 3k3j n PHE 59 Cb 0.10 -0.10 0.55 0.00 -0.01 0.00 0.00 39.48 40.02 3k3j n PHE 59 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3k3j h GLN 60 N 0.00 0.32 -3.74 -1.08 4.15 -1.80 -3.45 115.11 109.51 3k3j h GLN 60 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 3k3j h GLN 60 Cb 0.98 -0.07 -0.12 0.00 0.21 0.00 0.00 27.48 28.47 3k3j h GLN 60 CO 0.00 0.21 -0.24 -1.54 -1.93 0.00 0.00 178.83 175.33 3k3j s SER 61 N -5.75 -0.02 0.31 -0.69 1.04 -1.26 -5.02 113.70 102.30 3k3j s SER 61 Ca -0.08 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3k3j s SER 61 Cb 0.22 0.46 0.53 0.00 0.10 0.00 0.00 66.02 67.33 3k3j s SER 61 CO 0.77 -0.92 1.93 0.40 0.98 0.00 0.00 173.24 176.41 3k3j h ILE 62 N 2.48 1.09 -0.24 -1.02 2.04 -1.94 0.02 117.51 119.94 3k3j h ILE 62 Ca -0.31 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3k3j h ILE 62 Cb 1.23 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3k3j h ILE 62 CO 0.46 0.19 0.08 0.40 0.00 0.00 0.00 178.15 179.28 3k3j h ILE 63 N 1.02 1.19 -0.80 -0.67 1.08 -1.96 -0.94 117.51 116.42 3k3j h ILE 63 Ca 0.36 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3k3j h ILE 63 Cb 0.14 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 3k3j h ILE 63 CO -0.13 0.19 0.33 0.45 -0.69 0.00 0.00 178.15 178.31 3k3j h HIS 64 N 0.22 1.21 -0.32 1.37 3.86 -1.76 -0.03 115.15 119.71 3k3j h HIS 64 Ca 0.08 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3k3j h HIS 64 Cb 0.22 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3k3j h HIS 64 CO -0.00 0.91 0.12 0.00 0.86 0.00 0.00 177.93 179.82 3k3j h ALA 65 N 1.19 0.41 -0.44 2.45 0.00 -0.65 0.12 119.26 122.34 3k3j h ALA 65 Ca 0.27 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3k3j h ALA 65 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k3j h ALA 65 CO -0.02 0.01 -0.22 -0.22 0.00 0.00 0.00 179.25 178.80 3k3j h LYS 66 N 0.36 0.89 -0.64 0.00 3.64 -1.09 -2.08 116.57 117.65 3k3j h LYS 66 Ca 0.10 -0.37 0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3k3j h LYS 66 Cb 0.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3k3j h LYS 66 CO -0.01 1.02 0.38 -0.09 -2.27 0.00 0.00 179.45 178.49 3k3j h ARG 67 N 0.77 0.72 -0.28 1.90 2.43 -0.71 0.27 114.38 119.48 3k3j h ARG 67 Ca 0.10 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3k3j h ARG 67 Cb 0.77 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3k3j h ARG 67 CO 0.06 0.48 0.12 1.15 -1.51 0.00 0.00 179.97 180.27 3k3j h THR 68 N 0.75 0.96 -0.12 0.20 2.02 -0.56 0.01 112.91 116.16 3k3j h THR 68 Ca 0.26 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 3k3j h THR 68 Cb 0.06 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3k3j h THR 68 CO -0.12 0.05 0.07 0.22 0.37 0.00 0.00 175.52 176.11 3k3j h TYR 69 N 0.26 0.16 -0.74 3.16 3.20 -1.09 -1.20 116.97 120.72 3k3j h TYR 69 Ca 0.12 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.09 3k3j h TYR 69 Cb 0.07 -0.05 -0.12 0.00 1.54 0.00 0.00 36.73 38.16 3k3j h TYR 69 CO -0.11 0.17 -0.45 -0.09 -1.64 0.00 0.00 178.16 176.03 3k3j h ARG 70 N 0.11 -0.14 0.08 1.82 2.43 -0.19 0.12 114.38 118.62 3k3j h ARG 70 Ca 0.04 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3k3j h ARG 70 Cb 0.06 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3k3j h ARG 70 CO -0.01 -0.09 -0.04 1.49 -1.51 0.00 0.00 179.97 179.81 3k3j h GLU 71 N -0.14 -0.11 -0.30 0.20 4.81 -0.66 -1.67 114.58 116.70 3k3j h GLU 71 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3k3j h GLU 71 Cb 0.55 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3k3j h GLU 71 CO -0.79 0.07 0.16 1.25 -0.73 0.00 0.00 179.01 178.96 3k3j h LEU 72 N -0.27 0.39 -0.71 1.64 5.85 -1.08 -1.64 115.31 119.49 3k3j h LEU 72 Ca -0.01 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3k3j h LEU 72 Cb 0.22 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3k3j h LEU 72 CO 0.02 0.38 0.42 0.03 -0.34 0.00 0.00 178.44 178.95 3k3j h ARG 73 N 0.36 0.77 0.02 1.25 2.47 -0.74 -0.72 114.38 117.78 3k3j h ARG 73 Ca 0.11 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3k3j h ARG 73 Cb 0.09 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3k3j h ARG 73 CO -0.02 0.51 -0.01 1.25 0.56 0.00 0.00 179.97 182.27 3k3j h LEU 74 N 0.79 -0.02 -0.83 3.04 6.46 -1.13 -2.35 115.31 121.27 3k3j h LEU 74 Ca 0.30 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 3k3j h LEU 74 Cb 0.12 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 3k3j h LEU 74 CO -0.15 0.09 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.52 3k3j h LEU 75 N -0.13 0.68 -1.54 2.25 3.38 -1.18 -1.71 115.31 117.05 3k3j h LEU 75 Ca -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3k3j h LEU 75 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3k3j h LEU 75 CO 0.00 0.86 -0.09 0.11 0.09 0.00 0.00 178.44 179.42 3k3j h LYS 76 N 0.61 0.18 0.00 1.13 1.57 -1.07 -3.08 116.57 115.91 3k3j h LYS 76 Ca 0.10 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3k3j h LYS 76 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3k3j h LYS 76 CO 0.05 0.28 -0.70 1.25 -0.57 0.00 0.00 179.45 179.76 3k3j h HIS 77 N 0.18 0.00 -3.47 -1.35 2.76 -0.77 -3.45 115.15 109.04 3k3j h HIS 77 Ca 0.04 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.64 3k3j h HIS 77 Cb 0.28 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 3k3j h HIS 77 CO 0.00 0.53 0.90 -1.64 -1.30 0.00 0.00 177.93 176.42 3k3j s MET 78 N -2.95 3.89 -0.49 5.26 -1.94 -0.91 -4.92 119.30 117.24 3k3j s MET 78 Ca 0.03 0.87 0.04 0.00 -1.71 0.00 0.00 55.69 54.91 3k3j s MET 78 Cb 0.08 -3.83 0.17 0.00 2.01 0.00 0.00 34.83 33.26 3k3j s MET 78 CO 0.76 -1.14 0.38 0.15 -0.01 0.00 0.00 175.02 175.16 3k3j s LYS 79 N 4.07 1.34 -0.19 2.03 1.02 -1.26 -4.49 119.74 122.27 3k3j s LYS 79 Ca 0.48 -2.45 -0.27 0.00 0.02 0.00 0.00 55.97 53.75 3k3j s LYS 79 Cb -0.10 -1.99 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 3k3j s LYS 79 CO 0.23 -1.35 0.71 -1.58 -0.92 0.00 0.00 175.35 172.44 3k3j s HIS 80 N -0.35 -0.73 0.56 3.18 2.46 -1.26 -5.05 115.29 114.10 3k3j s HIS 80 Ca 0.30 1.60 0.33 0.00 0.47 0.00 0.00 55.06 57.76 3k3j s HIS 80 Cb 0.01 0.33 1.91 0.00 -0.13 0.00 0.00 32.58 34.69 3k3j s HIS 80 CO -0.18 -0.46 2.25 0.93 -2.47 0.00 0.00 174.74 174.80 3k3j h GLU 81 N 4.20 0.00 -0.25 2.88 3.07 -1.97 -2.46 114.58 120.05 3k3j h GLU 81 Ca -0.28 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 3k3j h GLU 81 Cb 1.15 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 3k3j h GLU 81 CO 0.18 0.02 -0.01 0.09 -1.40 0.00 0.00 179.01 177.89 3k3j n ASN 82 N -3.58 3.44 -3.97 1.42 4.13 -1.26 -4.70 115.26 110.72 3k3j n ASN 82 Ca -0.03 -3.18 -0.17 0.00 1.68 0.00 0.00 54.58 52.88 3k3j n ASN 82 Cb 0.11 -0.55 -0.15 0.00 -1.54 0.00 0.00 39.78 37.65 3k3j n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3k3j s VAL 83 N -2.92 0.54 0.27 2.41 1.01 -0.93 -1.02 120.40 119.76 3k3j s VAL 83 Ca 0.42 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 3k3j s VAL 83 Cb 0.35 -0.46 -0.12 0.00 0.00 0.00 0.00 36.38 36.14 3k3j s VAL 83 CO 0.06 0.16 1.54 0.00 0.00 0.00 0.00 175.10 176.87 3k3j n ILE 84 N 3.04 0.92 -4.39 2.22 3.06 0.07 -4.52 119.36 119.77 3k3j n ILE 84 Ca -0.15 -0.23 -0.25 0.00 -2.50 0.00 0.00 62.75 59.63 3k3j n ILE 84 Cb 0.57 -1.80 -0.10 0.00 0.54 0.00 0.00 39.64 38.86 3k3j n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3k3j s GLY 85 N 0.48 1.77 -0.29 4.50 0.00 -1.26 -4.79 107.32 107.72 3k3j s GLY 85 Ca 0.66 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 43.50 3k3j s GLY 85 CO 0.48 -1.76 0.50 -2.27 0.00 0.00 0.00 173.10 170.05 3k3j s LEU 86 N -3.24 4.13 0.01 0.66 2.96 -1.25 -4.59 118.68 117.36 3k3j s LEU 86 Ca 0.27 0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 54.39 3k3j s LEU 86 Cb -0.07 -2.62 -0.34 0.00 0.50 0.00 0.00 46.19 43.66 3k3j s LEU 86 CO 0.15 -0.34 0.92 -0.07 -1.32 0.00 0.00 176.35 175.69 3k3j h LEU 87 N 8.87 0.77 -7.22 -0.68 3.38 -0.86 -3.42 115.31 116.15 3k3j h LEU 87 Ca -0.29 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 56.77 3k3j h LEU 87 Cb 1.14 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 3k3j h LEU 87 CO 0.73 1.71 0.12 -0.62 0.09 0.00 0.00 178.44 180.46 3k3j s ASP 88 N -7.49 -0.43 -0.09 -0.43 2.15 -1.14 -4.51 116.67 104.73 3k3j s ASP 88 Ca -0.10 -0.16 -0.07 0.00 0.43 0.00 0.00 52.55 52.64 3k3j s ASP 88 Cb 0.05 0.57 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 3k3j s ASP 88 CO 0.92 -0.96 0.24 0.54 -0.17 0.00 0.00 175.17 175.73 3k3j s VAL 89 N -3.79 -0.01 0.18 1.11 0.11 -1.26 -1.55 120.40 115.19 3k3j s VAL 89 Ca 0.03 0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 3k3j s VAL 89 Cb -0.00 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3k3j s VAL 89 CO -0.11 0.02 0.46 0.72 -3.33 0.00 0.00 175.10 172.86 3k3j s PHE 90 N 0.48 -0.03 0.03 1.54 -0.12 -0.65 -5.00 117.98 114.23 3k3j s PHE 90 Ca -0.03 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 3k3j s PHE 90 Cb -0.04 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 3k3j s PHE 90 CO -0.02 -0.84 -0.07 -0.08 -0.05 0.00 0.00 175.22 174.16 3k3j s THR 91 N -3.88 0.46 -1.52 -4.49 -1.32 -1.26 -1.81 115.64 101.81 3k3j s THR 91 Ca 0.10 -0.84 0.21 0.00 -1.21 0.00 0.00 61.69 59.95 3k3j s THR 91 Cb 0.00 -0.50 0.41 0.00 -1.51 0.00 0.00 72.50 70.90 3k3j s THR 91 CO -0.04 -0.27 1.67 -0.81 -2.21 0.00 0.00 174.62 172.97 3k3j n PRO 92 N 1.86 0.36 -2.23 7.08 -0.04 -1.26 -4.83 135.00 135.94 3k3j n PRO 92 Ca -0.20 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 3k3j n PRO 92 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3k3j n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k3j s ALA 93 N -2.48 3.48 -1.47 0.55 0.00 -1.26 -4.96 121.76 115.62 3k3j s ALA 93 Ca 0.22 1.13 0.23 0.00 0.00 0.00 0.00 51.96 53.54 3k3j s ALA 93 Cb 0.14 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3k3j s ALA 93 CO 0.31 -0.49 1.12 0.54 0.00 0.00 0.00 175.76 177.24 3k3j n ARG 94 N 1.34 0.54 -3.61 0.00 1.74 -1.26 -4.96 116.66 110.45 3k3j n ARG 94 Ca 0.01 -0.42 -0.10 0.00 -0.77 0.00 0.00 57.85 56.57 3k3j n ARG 94 Cb 0.43 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 3k3j n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k3j s SER 95 N -2.75 -0.39 0.24 0.55 1.04 -1.26 -5.06 113.70 106.07 3k3j s SER 95 Ca 0.14 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.24 3k3j s SER 95 Cb 0.17 0.61 0.36 0.00 0.10 0.00 0.00 66.02 67.27 3k3j s SER 95 CO 0.70 -1.06 1.81 0.25 0.98 0.00 0.00 173.24 175.92 3k3j h LEU 96 N 2.09 0.65 -0.39 2.42 5.85 -1.97 -2.83 115.31 121.12 3k3j h LEU 96 Ca -0.30 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3k3j h LEU 96 Cb 1.28 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 3k3j h LEU 96 CO 0.36 0.38 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.14 3k3j h GLU 97 N 0.77 -0.28 -0.00 1.25 5.08 -2.01 -2.38 114.58 117.01 3k3j h GLU 97 Ca 0.38 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3k3j h GLU 97 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3k3j h GLU 97 CO -0.23 -0.18 -0.00 -0.85 -1.00 0.00 0.00 179.01 176.74 3k3j n GLU 98 N -5.42 0.61 -1.81 2.33 0.28 -1.14 -4.91 120.64 110.58 3k3j n GLU 98 Ca 0.00 -0.01 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 3k3j n GLU 98 Cb 0.34 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 3k3j n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3k3j s PHE 99 N -2.40 1.52 0.00 -1.84 5.36 -0.90 -4.80 117.98 114.92 3k3j s PHE 99 Ca 0.34 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 3k3j s PHE 99 Cb 0.21 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 3k3j s PHE 99 CO 0.43 -3.77 0.00 0.09 -1.46 0.00 0.00 175.22 170.51 3k3j n ASN 100 N 10.21 1.14 -4.38 6.13 3.02 -1.26 -5.07 115.26 125.05 3k3j n ASN 100 Ca 0.25 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.49 3k3j n ASN 100 Cb 0.45 0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.64 3k3j n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3k3j s ASP 101 N -1.06 3.41 -0.05 6.41 1.01 -1.26 -4.64 116.67 120.50 3k3j s ASP 101 Ca 0.00 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.83 3k3j s ASP 101 Cb 0.00 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.47 3k3j s ASP 101 CO 0.00 0.29 -0.14 -0.69 0.21 0.00 0.00 175.17 174.83 3k3j s VAL 102 N -0.77 1.24 -0.03 -1.27 1.01 -1.26 -4.52 120.40 114.79 3k3j s VAL 102 Ca 0.12 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3k3j s VAL 102 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3k3j s VAL 102 CO 0.02 0.37 -0.19 -0.31 0.00 0.00 0.00 175.10 174.99 3k3j s TYR 103 N 0.29 1.77 -0.08 5.22 2.02 -0.75 -1.61 117.35 124.22 3k3j s TYR 103 Ca -0.08 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 3k3j s TYR 103 Cb -0.13 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3k3j s TYR 103 CO 0.03 -0.11 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.20 3k3j s LEU 104 N -0.20 2.43 -0.09 -1.29 1.43 -0.12 -1.64 118.68 119.19 3k3j s LEU 104 Ca 0.01 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3k3j s LEU 104 Cb -0.10 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 3k3j s LEU 104 CO 0.01 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 3k3j s VAL 105 N -0.14 2.50 0.16 -1.59 1.01 -0.60 -0.32 120.40 121.42 3k3j s VAL 105 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3k3j s VAL 105 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3k3j s VAL 105 CO 0.04 0.55 0.05 0.42 0.00 0.00 0.00 175.10 176.16 3k3j s THR 106 N 0.11 0.28 0.22 3.92 -4.23 0.46 -0.08 115.64 116.32 3k3j s THR 106 Ca -0.09 -1.95 -0.32 0.00 -1.18 0.00 0.00 61.69 58.15 3k3j s THR 106 Cb -0.15 -2.17 -0.14 0.00 1.34 0.00 0.00 72.50 71.37 3k3j s THR 106 CO 0.06 -0.37 1.34 1.41 -0.54 0.00 0.00 174.62 176.52 3k3j n HIS 107 N -0.19 1.92 -2.41 3.99 8.25 -1.26 0.71 115.22 126.23 3k3j n HIS 107 Ca -0.04 0.50 -0.43 0.00 -0.26 0.00 0.00 57.72 57.49 3k3j n HIS 107 Cb 0.64 -2.41 -0.02 0.00 1.12 0.00 0.00 29.99 29.32 3k3j n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k3j s LEU 108 N 0.28 4.22 0.02 2.41 2.96 -0.95 -4.40 118.68 123.22 3k3j s LEU 108 Ca 0.70 1.77 -0.12 0.00 -0.22 0.00 0.00 54.13 56.26 3k3j s LEU 108 Cb -0.71 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.38 3k3j s LEU 108 CO 0.50 -0.72 0.38 -0.04 -1.32 0.00 0.00 176.35 175.15 3k3j s MET 109 N 3.12 3.81 0.02 1.98 -1.94 -1.26 -4.93 119.30 120.10 3k3j s MET 109 Ca 0.56 0.27 -0.09 0.00 -1.71 0.00 0.00 55.69 54.72 3k3j s MET 109 Cb -0.23 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 3k3j s MET 109 CO 0.18 0.64 1.14 0.78 -0.01 0.00 0.00 175.02 177.76 3k3j h GLY 110 N 4.31 -1.00 -1.40 -0.03 0.00 -1.95 -3.48 103.07 99.53 3k3j h GLY 110 Ca -0.51 0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 3k3j h GLY 110 CO 0.63 -0.34 0.02 0.00 0.00 0.00 0.00 176.54 176.85 3k3j s ALA 111 N -3.98 0.13 0.50 3.60 0.00 -1.17 -5.03 121.76 115.81 3k3j s ALA 111 Ca -0.04 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.80 3k3j s ALA 111 Cb 0.01 0.94 0.04 0.00 0.00 0.00 0.00 23.12 24.11 3k3j s ALA 111 CO 0.16 -0.88 0.60 0.16 0.00 0.00 0.00 175.76 175.80 3k3j s ASP 112 N -3.17 5.17 0.34 0.00 3.84 -1.26 -0.68 116.67 120.90 3k3j s ASP 112 Ca 0.24 -0.78 0.12 0.00 -0.00 0.00 0.00 52.55 52.13 3k3j s ASP 112 Cb -0.03 -0.09 0.61 0.00 -1.38 0.00 0.00 42.92 42.03 3k3j s ASP 112 CO 0.17 -1.03 1.76 0.25 -0.00 0.00 0.00 175.17 176.32 3k3j h LEU 113 N 0.54 0.01 -0.36 2.11 6.46 -1.12 -3.18 115.31 119.77 3k3j h LEU 113 Ca -0.36 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.47 3k3j h LEU 113 Cb 1.28 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.12 3k3j h LEU 113 CO 0.47 0.45 -0.29 -1.13 -0.62 0.00 0.00 178.44 177.33 3k3j h ASN 114 N 0.01 -0.96 0.00 1.25 -0.73 -1.86 -2.47 115.58 110.83 3k3j h ASN 114 Ca -0.00 0.17 -0.59 0.00 1.87 0.00 0.00 56.30 57.75 3k3j h ASN 114 Cb 0.79 0.46 0.02 0.00 0.27 0.00 0.00 38.32 39.85 3k3j h ASN 114 CO 0.06 -0.30 2.74 0.59 -0.37 0.00 0.00 177.43 180.14 3k3j n ASN 115 N -5.41 4.16 0.00 1.15 3.02 -1.20 -5.07 115.26 111.91 3k3j n ASN 115 Ca 0.01 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 3k3j n ASN 115 Cb 0.32 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3k3j n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k3j n ILE 116 N 5.05 0.00 -1.56 2.41 0.13 -0.93 -4.84 119.36 119.62 3k3j n ILE 116 Ca 0.52 0.00 -0.53 0.00 -1.10 0.00 0.00 62.75 61.64 3k3j n ILE 116 Cb 0.31 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.05 3k3j n ILE 116 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3k3j n LYS 121 N 0.00 0.83 -4.34 9.51 4.81 -1.26 -5.02 118.16 122.69 3k3j n LYS 121 Ca 0.00 0.30 -0.23 0.00 -0.87 0.00 0.00 58.31 57.51 3k3j n LYS 121 Cb 0.00 -1.86 -0.11 0.00 0.02 0.00 0.00 35.03 33.07 3k3j n LYS 121 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k3j s LEU 122 N 0.47 2.41 0.80 3.14 1.02 -1.09 -5.02 118.68 120.42 3k3j s LEU 122 Ca 0.84 -0.83 -0.11 0.00 0.02 0.00 0.00 54.13 54.04 3k3j s LEU 122 Cb -1.01 -0.88 0.08 0.00 0.02 0.00 0.00 46.19 44.39 3k3j s LEU 122 CO 0.50 0.00 1.11 0.42 0.02 0.00 0.00 176.35 178.41 3k3j s THR 123 N -1.85 2.93 0.32 5.49 -4.23 -1.26 -4.79 115.64 112.24 3k3j s THR 123 Ca 0.15 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 3k3j s THR 123 Cb -0.07 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.30 3k3j s THR 123 CO 0.07 -0.38 1.91 -0.78 -0.54 0.00 0.00 174.62 174.89 3k3j h ASP 124 N -1.24 0.71 -0.20 3.99 3.58 -1.99 -0.78 116.42 120.50 3k3j h ASP 124 Ca -0.44 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 56.80 3k3j h ASP 124 Cb 1.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 3k3j h ASP 124 CO 0.49 0.64 -0.34 0.44 -2.88 0.00 0.00 179.24 177.58 3k3j h ASP 125 N 0.78 0.75 -0.74 2.28 5.19 -1.99 0.70 116.42 123.38 3k3j h ASP 125 Ca 0.19 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 3k3j h ASP 125 Cb 0.14 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 3k3j h ASP 125 CO -0.02 1.03 0.40 0.45 -3.12 0.00 0.00 179.24 177.98 3k3j h HIS 126 N 0.60 1.03 -0.37 4.55 3.86 -1.74 -2.08 115.15 121.00 3k3j h HIS 126 Ca 0.06 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3k3j h HIS 126 Cb 0.87 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3k3j h HIS 126 CO 0.04 0.73 -0.01 0.28 0.86 0.00 0.00 177.93 179.83 3k3j h VAL 127 N 1.03 1.26 -0.39 2.45 2.07 -0.80 -1.67 116.25 120.20 3k3j h VAL 127 Ca 0.26 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3k3j h VAL 127 Cb 0.05 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 3k3j h VAL 127 CO -0.04 0.34 -0.19 1.56 0.02 0.00 0.00 177.57 179.26 3k3j h GLN 128 N 0.48 -0.11 -0.43 1.57 4.20 -0.67 0.03 115.11 120.17 3k3j h GLN 128 Ca 0.10 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3k3j h GLN 128 Cb 0.48 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3k3j h GLN 128 CO 0.02 -0.07 -0.23 0.35 -0.67 0.00 0.00 178.83 178.23 3k3j h PHE 129 N -0.11 1.02 -0.06 2.96 3.57 -1.31 -0.63 116.94 122.38 3k3j h PHE 129 Ca 0.19 -0.24 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 3k3j h PHE 129 Cb 0.41 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.92 3k3j h PHE 129 CO -0.42 1.02 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.14 3k3j h LEU 130 N 0.77 0.52 -0.85 0.59 3.38 -1.01 -2.40 115.31 116.32 3k3j h LEU 130 Ca 0.10 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 3k3j h LEU 130 Cb 0.78 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3k3j h LEU 130 CO 0.06 1.12 0.23 0.40 0.09 0.00 0.00 178.44 180.34 3k3j h ILE 131 N -0.04 1.25 -0.27 1.22 1.08 -1.03 -2.09 117.51 117.63 3k3j h ILE 131 Ca -0.04 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.63 3k3j h ILE 131 Cb 1.14 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 3k3j h ILE 131 CO 0.10 0.34 -0.17 0.22 -0.69 0.00 0.00 178.15 177.94 3k3j h TYR 132 N 1.04 -0.43 -0.60 1.37 3.20 -1.09 -1.16 116.97 119.31 3k3j h TYR 132 Ca 0.23 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3k3j h TYR 132 Cb 0.28 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3k3j h TYR 132 CO 0.02 -0.25 0.21 1.96 -1.64 0.00 0.00 178.16 178.47 3k3j h GLN 133 N -0.15 0.91 -0.20 1.82 4.20 -1.23 0.05 115.11 120.52 3k3j h GLN 133 Ca 0.15 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3k3j h GLN 133 Cb 0.37 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3k3j h GLN 133 CO -0.36 0.80 0.04 0.82 -0.67 0.00 0.00 178.83 179.45 3k3j h ILE 134 N 0.84 0.91 -0.54 2.54 2.04 -1.15 -1.02 117.51 121.13 3k3j h ILE 134 Ca 0.20 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3k3j h ILE 134 Cb 0.25 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3k3j h ILE 134 CO -0.01 0.02 0.13 -0.07 0.00 0.00 0.00 178.15 178.22 3k3j h LEU 135 N 0.12 0.76 -0.17 1.44 3.38 -0.86 0.14 115.31 120.12 3k3j h LEU 135 Ca 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3k3j h LEU 135 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3k3j h LEU 135 CO -0.12 0.75 0.03 -0.09 0.09 0.00 0.00 178.44 179.10 3k3j h ARG 136 N 0.79 0.29 -0.80 1.13 2.43 -0.64 0.93 114.38 118.51 3k3j h ARG 136 Ca 0.18 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3k3j h ARG 136 Cb 0.28 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3k3j h ARG 136 CO -0.00 0.45 0.52 0.78 -1.51 0.00 0.00 179.97 180.21 3k3j h GLY 137 N 0.08 1.15 1.26 2.80 0.00 -1.04 -3.00 103.07 104.32 3k3j h GLY 137 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3k3j h GLY 137 CO 0.00 0.36 -0.39 -2.00 0.00 0.00 0.00 176.54 174.51 3k3j h LEU 138 N 1.03 0.86 -0.69 3.11 5.85 -0.79 0.20 115.31 124.89 3k3j h LEU 138 Ca 0.31 -0.39 0.14 0.00 0.84 0.00 0.00 57.88 58.78 3k3j h LEU 138 Cb -0.04 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.64 3k3j h LEU 138 CO -0.09 1.15 0.13 0.50 -0.34 0.00 0.00 178.44 179.79 3k3j h LYS 139 N 0.66 0.23 -0.02 1.25 3.64 -0.78 0.18 116.57 121.74 3k3j h LYS 139 Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3k3j h LYS 139 Cb 0.96 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3k3j h LYS 139 CO 0.09 0.15 0.01 -0.92 -2.27 0.00 0.00 179.45 176.51 3k3j h TYR 140 N 0.24 0.03 -0.32 1.91 3.20 -1.32 0.58 116.97 121.28 3k3j h TYR 140 Ca 0.38 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3k3j h TYR 140 Cb 0.62 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3k3j h TYR 140 CO -0.28 0.21 0.12 0.82 -1.64 0.00 0.00 178.16 177.38 3k3j h ILE 141 N -0.15 1.19 -0.10 1.81 2.04 -0.52 -2.48 117.51 119.30 3k3j h ILE 141 Ca 0.01 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3k3j h ILE 141 Cb 0.19 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3k3j h ILE 141 CO -0.00 0.21 -0.24 0.45 0.00 0.00 0.00 178.15 178.57 3k3j h HIS 142 N 0.37 0.18 0.00 1.37 3.86 -0.60 -2.19 115.15 118.15 3k3j h HIS 142 Ca 0.11 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3k3j h HIS 142 Cb 0.21 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 3k3j h HIS 142 CO 0.00 0.40 -0.04 0.66 0.86 0.00 0.00 177.93 179.81 3k3j h SER 143 N 0.16 0.00 -0.37 2.45 4.64 -0.40 0.07 113.55 120.11 3k3j h SER 143 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3k3j h SER 143 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3k3j h SER 143 CO 0.04 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3k3j n ALA 144 N -2.15 2.69 -3.59 5.18 0.00 -0.84 -4.75 120.51 117.04 3k3j n ALA 144 Ca -0.01 -0.79 -0.23 0.00 0.00 0.00 0.00 53.44 52.40 3k3j n ALA 144 Cb 0.21 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.74 3k3j n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k3j n ASP 145 N 0.55 -5.80 -4.62 0.00 8.00 0.01 -4.50 116.55 110.20 3k3j n ASP 145 Ca 0.14 -0.56 -0.34 0.00 0.71 0.00 0.00 54.79 54.74 3k3j n ASP 145 Cb 0.46 -5.00 -0.10 0.00 -0.02 0.00 0.00 41.12 36.45 3k3j n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3j s ILE 146 N -3.33 3.87 -0.15 0.53 1.01 -1.12 -5.04 121.20 116.97 3k3j s ILE 146 Ca 0.52 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 3k3j s ILE 146 Cb -0.23 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3k3j s ILE 146 CO 0.73 0.54 -0.04 -0.63 0.00 0.00 0.00 174.94 175.54 3k3j s ILE 147 N -0.89 3.82 -0.02 2.92 1.01 -1.26 -4.02 121.20 122.76 3k3j s ILE 147 Ca 0.14 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 3k3j s ILE 147 Cb -0.11 -2.67 -0.17 0.00 0.01 0.00 0.00 42.46 39.52 3k3j s ILE 147 CO 0.04 0.49 1.09 -0.74 0.00 0.00 0.00 174.94 175.82 3k3j h HIS 148 N 6.73 -0.26 0.00 3.97 -0.00 -1.96 -3.47 115.15 120.17 3k3j h HIS 148 Ca -0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3k3j h HIS 148 Cb 1.19 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3k3j h HIS 148 CO 0.53 0.13 0.00 0.54 -0.00 0.00 0.00 177.93 179.13 3k3j n ARG 149 N -5.01 0.00 -2.23 5.26 1.74 -1.26 -4.78 116.66 110.38 3k3j n ARG 149 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 3k3j n ARG 149 Cb 0.26 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.22 3k3j n ARG 149 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3k3j n ASP 150 N 0.00 2.44 -4.71 0.55 8.00 -1.26 -5.02 116.55 116.55 3k3j n ASP 150 Ca 0.00 -2.66 -0.42 0.00 0.71 0.00 0.00 54.79 52.42 3k3j n ASP 150 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 3k3j n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3k3j s LEU 151 N -3.15 4.36 0.03 0.64 1.43 -1.26 -4.81 118.68 115.92 3k3j s LEU 151 Ca 0.36 2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 3k3j s LEU 151 Cb 0.36 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 43.10 3k3j s LEU 151 CO -0.04 -0.65 0.84 -1.59 0.23 0.00 0.00 176.35 175.14 3k3j s LYS 152 N 1.40 0.92 0.36 1.70 -2.85 -1.26 -4.80 119.74 115.21 3k3j s LYS 152 Ca 0.64 -0.34 0.13 0.00 -1.00 0.00 0.00 55.97 55.40 3k3j s LYS 152 Cb -0.35 0.42 0.95 0.00 -2.06 0.00 0.00 37.83 36.79 3k3j s LYS 152 CO 0.29 -0.40 1.79 -1.35 0.10 0.00 0.00 175.35 175.78 3k3j h PRO 153 N 2.00 0.53 0.00 1.78 0.11 -1.95 0.68 132.00 135.15 3k3j h PRO 153 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3k3j h PRO 153 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3k3j h PRO 153 CO 0.32 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 3k3j n SER 154 N -4.66 0.28 -1.18 -2.05 3.41 -1.26 -1.22 113.62 106.94 3k3j n SER 154 Ca 0.23 0.56 0.06 0.00 -0.26 0.00 0.00 58.87 59.46 3k3j n SER 154 Cb 0.71 -0.62 0.24 0.00 -0.26 0.00 0.00 64.21 64.28 3k3j n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k3j n ASN 155 N -1.79 3.41 -4.06 4.04 3.02 0.23 -4.79 115.26 115.31 3k3j n ASN 155 Ca 0.04 -2.33 -0.31 0.00 -0.03 0.00 0.00 54.58 51.95 3k3j n ASN 155 Cb 0.24 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 3k3j n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k3j s LEU 156 N -1.44 1.84 -0.12 3.41 1.43 -0.36 -1.45 118.68 122.00 3k3j s LEU 156 Ca 0.34 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 3k3j s LEU 156 Cb 0.22 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 3k3j s LEU 156 CO 0.16 -0.02 0.31 0.00 0.23 0.00 0.00 176.35 177.03 3k3j s ALA 157 N 1.31 3.64 -0.08 4.21 0.00 0.31 -1.63 121.76 129.51 3k3j s ALA 157 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3k3j s ALA 157 Cb -0.13 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.65 3k3j s ALA 157 CO -0.09 0.22 -0.03 0.08 0.00 0.00 0.00 175.76 175.94 3k3j s VAL 158 N -0.00 0.62 0.89 0.00 1.01 0.14 -0.80 120.40 122.25 3k3j s VAL 158 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 3k3j s VAL 158 Cb -0.14 -0.70 0.19 0.00 0.00 0.00 0.00 36.38 35.73 3k3j s VAL 158 CO 0.06 0.29 1.22 0.54 0.00 0.00 0.00 175.10 177.21 3k3j s ASN 159 N 1.68 3.44 0.57 3.32 2.20 -0.60 -3.03 114.94 122.51 3k3j s ASN 159 Ca 0.02 -0.03 0.33 0.00 -0.94 0.00 0.00 52.86 52.23 3k3j s ASN 159 Cb -0.13 -0.08 1.74 0.00 -2.00 0.00 0.00 41.25 40.79 3k3j s ASN 159 CO -0.05 -2.50 2.17 1.05 -2.94 0.00 0.00 177.10 174.83 3k3j h GLU 160 N -1.29 0.00 0.00 3.55 4.11 -1.99 -1.05 114.58 117.91 3k3j h GLU 160 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3k3j h GLU 160 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3k3j h GLU 160 CO 0.36 0.06 0.00 -0.25 0.07 0.00 0.00 179.01 179.25 3k3j n ASP 161 N -3.49 0.00 -0.39 3.06 8.00 -1.26 -4.87 116.55 117.60 3k3j n ASP 161 Ca -0.02 -1.45 -0.05 0.00 0.71 0.00 0.00 54.79 53.98 3k3j n ASP 161 Cb 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 3k3j n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k3j s GLU 163 N -2.00 4.46 -0.02 0.00 2.02 -1.26 -4.82 118.70 117.07 3k3j s GLU 163 Ca 0.00 1.94 0.06 0.00 0.02 0.00 0.00 54.97 56.99 3k3j s GLU 163 Cb 0.00 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3k3j s GLU 163 CO 0.00 -0.14 -0.21 -1.17 0.02 0.00 0.00 175.26 173.76 3k3j s LEU 164 N -0.29 2.02 -0.01 1.80 0.20 -1.26 -1.56 118.68 119.59 3k3j s LEU 164 Ca 0.54 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.00 3k3j s LEU 164 Cb -0.34 -1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 44.31 3k3j s LEU 164 CO 0.38 0.24 -0.11 -0.54 -0.29 0.00 0.00 176.35 176.03 3k3j s LYS 165 N -0.38 0.90 0.07 1.98 1.02 0.02 -4.31 119.74 119.05 3k3j s LYS 165 Ca 0.05 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.37 3k3j s LYS 165 Cb -0.09 -0.87 -0.06 0.00 -0.52 0.00 0.00 37.83 36.29 3k3j s LYS 165 CO 0.00 0.24 0.81 0.42 -0.92 0.00 0.00 175.35 175.90 3k3j s ILE 166 N -0.29 4.64 0.00 2.17 1.01 -0.19 -0.53 121.20 128.00 3k3j s ILE 166 Ca 0.04 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3k3j s ILE 166 Cb -0.04 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3k3j s ILE 166 CO -0.00 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.31 3k3j n LEU 167 N 2.65 0.00 -3.41 2.97 -0.00 -0.53 -0.75 117.00 117.93 3k3j n LEU 167 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.82 3k3j n LEU 167 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 3k3j n LEU 167 CO 0.48 0.00 -0.18 -0.62 -0.00 0.00 0.00 177.39 177.07 3k3j s ASP 168 N 0.68 1.59 0.00 1.45 -1.08 -1.26 -4.84 116.67 113.21 3k3j s ASP 168 Ca 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 3k3j s ASP 168 Cb 0.00 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 3k3j s ASP 168 CO 0.00 -0.38 0.11 0.49 0.52 0.00 0.00 175.17 175.91 3k3j n PHE 169 N 5.31 0.00 -2.54 -5.34 3.72 -1.26 -5.13 117.46 112.22 3k3j n PHE 169 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 3k3j n PHE 169 Cb 0.47 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.97 3k3j n PHE 169 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k3j n VAL 183 N -0.12-13.25 -2.56 -4.37 0.31 -1.26 -4.92 118.33 92.17 3k3j n VAL 183 Ca 0.00 2.95 -0.42 0.00 -0.01 0.00 0.00 64.34 66.85 3k3j n VAL 183 Cb 0.00 -6.49 -0.03 0.00 -0.91 0.00 0.00 33.84 26.41 3k3j n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k3j s ALA 184 N -0.65 3.35 0.32 3.52 0.00 -1.26 -4.92 121.76 122.13 3k3j s ALA 184 Ca -0.22 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.45 3k3j s ALA 184 Cb 0.01 -3.43 0.96 0.00 0.00 0.00 0.00 23.12 20.66 3k3j s ALA 184 CO 0.60 -0.49 1.62 1.15 0.00 0.00 0.00 175.76 178.64 3k3j h THR 185 N 4.83 0.19 0.00 0.00 2.02 -1.99 -2.31 112.91 115.65 3k3j h THR 185 Ca -0.38 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3k3j h THR 185 Cb 1.19 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3k3j h THR 185 CO 0.82 0.03 -0.04 0.08 0.37 0.00 0.00 175.52 176.78 3k3j h ARG 186 N 0.16 0.00 0.00 6.66 0.11 -1.96 -1.94 114.38 117.41 3k3j h ARG 186 Ca 0.68 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.73 3k3j h ARG 186 Cb 1.54 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.61 3k3j h ARG 186 CO -0.72 0.04 -0.10 -1.49 0.10 0.00 0.00 179.97 177.80 3k3j h TRP 187 N 0.00 0.00 -0.33 4.08 6.55 -1.64 -2.27 115.95 122.35 3k3j h TRP 187 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3k3j h TRP 187 Cb 0.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 3k3j h TRP 187 CO 0.00 0.10 0.00 0.66 -1.05 0.00 0.00 178.44 178.15 3k3j n TYR 188 N -3.32 0.42 -3.19 0.49 4.02 -0.73 -4.51 117.16 110.34 3k3j n TYR 188 Ca -0.01 -0.23 -0.35 0.00 -0.01 0.00 0.00 57.90 57.30 3k3j n TYR 188 Cb 0.30 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 3k3j n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3k3j s ARG 189 N -1.44 4.12 0.41 -0.72 1.81 -0.85 -3.67 118.95 118.61 3k3j s ARG 189 Ca 0.35 0.71 -0.25 0.00 -1.72 0.00 0.00 55.73 54.82 3k3j s ARG 189 Cb 0.21 -2.82 -0.08 0.00 -0.45 0.00 0.00 34.95 31.80 3k3j s ARG 189 CO 0.29 0.38 1.25 0.00 -0.68 0.00 0.00 175.30 176.54 3k3j s ALA 190 N -1.58 3.18 0.40 2.13 0.00 -1.26 -4.88 121.76 119.74 3k3j s ALA 190 Ca 0.43 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.58 3k3j s ALA 190 Cb -0.15 -3.45 0.81 0.00 0.00 0.00 0.00 23.12 20.33 3k3j s ALA 190 CO 0.20 -0.74 2.03 -1.00 0.00 0.00 0.00 175.76 176.25 3k3j h PRO 191 N 2.56 0.55 0.00 0.00 0.13 -1.96 -1.43 132.00 131.85 3k3j h PRO 191 Ca -0.49 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3k3j h PRO 191 Cb 1.25 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k3j h PRO 191 CO 0.62 0.40 -0.02 1.05 -0.23 0.00 0.00 178.00 179.81 3k3j h GLU 192 N 0.56 0.00 -0.06 0.86 9.09 -1.91 -1.67 114.58 121.45 3k3j h GLU 192 Ca 0.15 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.32 3k3j h GLU 192 Cb -0.00 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3k3j h GLU 192 CO -0.03 0.02 -0.90 0.82 0.05 0.00 0.00 179.01 178.98 3k3j h ILE 193 N 0.00 1.32 -0.90 -1.06 2.04 -1.57 0.16 117.51 117.49 3k3j h ILE 193 Ca -0.00 -2.19 0.07 0.00 1.00 0.00 0.00 64.86 63.73 3k3j h ILE 193 Cb 0.04 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 3k3j h ILE 193 CO 0.00 0.68 0.57 0.24 0.00 0.00 0.00 178.15 179.63 3k3j h MET 194 N 0.39 0.99 0.00 2.37 2.86 -1.24 -0.01 114.93 120.28 3k3j h MET 194 Ca -0.08 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3k3j h MET 194 Cb 1.53 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3k3j h MET 194 CO 0.17 0.65 0.00 -0.11 1.06 0.00 0.00 176.91 178.69 3k3j n LEU 195 N -4.59 0.00 -2.81 1.22 7.94 -0.66 -4.92 117.00 113.17 3k3j n LEU 195 Ca 0.14 0.21 -0.20 0.00 -1.11 0.00 0.00 56.01 55.05 3k3j n LEU 195 Cb 0.19 -0.21 0.05 0.00 0.53 0.00 0.00 43.42 43.98 3k3j n LEU 195 CO 0.31 -0.03 0.08 -3.20 -1.11 0.00 0.00 177.39 173.44 3k3j n ASN 196 N -1.21 -5.58 -4.69 1.96 4.05 -0.02 -4.95 115.26 104.82 3k3j n ASN 196 Ca 0.14 -0.33 -0.42 0.00 0.45 0.00 0.00 54.58 54.42 3k3j n ASN 196 Cb 0.17 -4.33 -0.03 0.00 1.23 0.00 0.00 39.78 36.83 3k3j n ASN 196 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3k3j s TRP 197 N -3.16 2.86 -0.09 1.20 -0.00 0.51 -4.90 118.94 115.37 3k3j s TRP 197 Ca 0.35 0.79 0.31 0.00 -0.00 0.00 0.00 56.10 57.55 3k3j s TRP 197 Cb -0.16 -3.70 1.24 0.00 -0.00 0.00 0.00 33.47 30.86 3k3j s TRP 197 CO 0.44 -2.58 1.90 1.98 -0.00 0.00 0.00 176.95 178.69 3k3j h MET 198 N 7.74 0.00 -0.20 5.86 4.05 -1.92 -3.23 114.93 127.23 3k3j h MET 198 Ca -0.39 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.91 3k3j h MET 198 Cb 1.19 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.90 3k3j h MET 198 CO 0.90 0.00 -0.42 0.72 0.23 0.00 0.00 176.91 178.34 3k3j n HIS 199 N -2.83 0.66 -0.63 1.39 8.25 -1.26 -5.02 115.22 115.78 3k3j n HIS 199 Ca 0.01 -1.64 -0.30 0.00 -0.26 0.00 0.00 57.72 55.52 3k3j n HIS 199 Cb 0.29 -0.34 0.19 0.00 1.12 0.00 0.00 29.99 31.25 3k3j n HIS 199 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3k3j s TYR 200 N -3.30 1.50 0.00 4.41 -0.85 -1.22 -5.03 117.35 112.86 3k3j s TYR 200 Ca 0.42 1.67 0.00 0.00 -0.52 0.00 0.00 57.07 58.64 3k3j s TYR 200 Cb 0.39 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 39.43 3k3j s TYR 200 CO -0.04 -3.12 0.00 0.27 -1.52 0.00 0.00 175.55 171.14 3k3j n ASN 201 N -4.44 0.44 0.22 -0.18 0.23 -1.26 -5.04 115.26 105.23 3k3j n ASN 201 Ca 0.10 -0.30 0.16 0.00 -0.53 0.00 0.00 54.58 54.01 3k3j n ASN 201 Cb 0.52 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 39.04 3k3j n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3k3j h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.95 -2.14 115.11 111.39 3k3j h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k3j h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k3j h GLN 202 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 3k3j n THR 203 N -3.94 1.41 0.27 -0.54 -2.24 -1.26 -1.16 114.28 106.83 3k3j n THR 203 Ca 0.01 0.44 0.13 0.00 -2.27 0.00 0.00 64.05 62.35 3k3j n THR 203 Cb 0.26 -1.36 0.77 0.00 -2.10 0.00 0.00 70.33 67.91 3k3j n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3k3j h VAL 204 N 0.00 0.59 0.03 2.28 -1.51 -1.78 -1.97 116.25 113.90 3k3j h VAL 204 Ca 0.00 -0.36 -0.22 0.00 -1.23 0.00 0.00 66.70 64.89 3k3j h VAL 204 Cb 0.12 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 3k3j h VAL 204 CO 0.00 0.08 -1.00 0.44 -1.23 0.00 0.00 177.57 175.87 3k3j h ASP 205 N 0.00 0.24 -0.26 4.19 3.32 -1.39 -2.53 116.42 119.99 3k3j h ASP 205 Ca -0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3k3j h ASP 205 Cb 0.22 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3k3j h ASP 205 CO 0.01 1.09 0.01 0.40 -1.72 0.00 0.00 179.24 179.03 3k3j h ILE 206 N 0.07 1.25 -0.69 0.35 1.08 -1.50 -1.40 117.51 116.67 3k3j h ILE 206 Ca -0.06 -0.89 0.11 0.00 -0.39 0.00 0.00 64.86 63.63 3k3j h ILE 206 Cb 1.68 1.32 -0.12 0.00 -3.07 0.00 0.00 36.82 36.63 3k3j h ILE 206 CO 0.15 0.28 -0.36 -0.25 -0.69 0.00 0.00 178.15 177.28 3k3j h TRP 207 N 0.24 -1.01 -0.66 1.37 2.91 -1.37 -0.08 115.95 117.36 3k3j h TRP 207 Ca 0.07 0.08 0.07 0.00 1.13 0.00 0.00 58.89 60.24 3k3j h TRP 207 Cb 0.41 0.55 -0.06 0.00 -0.51 0.00 0.00 29.16 29.54 3k3j h TRP 207 CO 0.03 -0.39 0.35 0.77 -1.03 0.00 0.00 178.44 178.17 3k3j h SER 208 N -0.13 0.50 -0.69 2.65 0.02 -1.10 -1.49 113.55 113.31 3k3j h SER 208 Ca 0.25 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3k3j h SER 208 Cb 0.56 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3k3j h SER 208 CO -0.76 0.32 0.43 0.58 -1.14 0.00 0.00 176.83 176.26 3k3j h VAL 209 N 0.64 1.19 -0.82 2.27 2.07 -0.57 -0.28 116.25 120.76 3k3j h VAL 209 Ca 0.30 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3k3j h VAL 209 Cb 0.23 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 3k3j h VAL 209 CO -0.21 0.19 0.48 1.23 0.02 0.00 0.00 177.57 179.29 3k3j h GLY 210 N 0.94 1.24 0.93 2.17 0.00 -0.52 0.21 103.07 108.05 3k3j h GLY 210 Ca 0.25 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3k3j h GLY 210 CO -0.05 0.19 0.06 0.00 0.00 0.00 0.00 176.54 176.74 3k3j h ILE 212 N 0.47 1.02 -0.66 0.00 2.04 -0.89 -2.26 117.51 117.23 3k3j h ILE 212 Ca 0.11 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3k3j h ILE 212 Cb 0.36 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3k3j h ILE 212 CO 0.01 0.02 0.25 -0.03 0.00 0.00 0.00 178.15 178.40 3k3j h MET 213 N 0.02 0.42 -0.65 2.37 4.05 -0.44 -0.19 114.93 120.51 3k3j h MET 213 Ca 0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3k3j h MET 213 Cb 0.01 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 3k3j h MET 213 CO -0.00 0.28 0.39 0.00 0.23 0.00 0.00 176.91 177.81 3k3j h ALA 214 N 1.46 0.83 -0.46 0.39 0.00 -1.12 -1.78 119.26 118.58 3k3j h ALA 214 Ca 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3k3j h ALA 214 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k3j h ALA 214 CO -0.34 0.31 -0.00 1.49 0.00 0.00 0.00 179.25 180.71 3k3j h GLU 215 N 0.89 0.77 0.00 0.00 4.81 -0.67 -1.10 114.58 119.27 3k3j h GLU 215 Ca 0.23 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3k3j h GLU 215 Cb -0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3k3j h GLU 215 CO -0.04 0.78 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.53 3k3j h LEU 216 N 0.72 0.00 0.18 1.64 3.38 -0.63 0.30 115.31 120.89 3k3j h LEU 216 Ca 0.14 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.81 3k3j h LEU 216 Cb 0.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.21 3k3j h LEU 216 CO 0.02 0.41 -1.35 -0.07 0.09 0.00 0.00 178.44 177.54 3k3j h LEU 217 N 0.00 0.58 0.00 1.67 3.38 -0.64 -2.89 115.31 117.41 3k3j h LEU 217 Ca -0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3k3j h LEU 217 Cb 0.76 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3k3j h LEU 217 CO 0.05 1.50 -1.49 0.35 0.09 0.00 0.00 178.44 178.94 3k3j n THR 218 N -3.60 0.00 -1.03 0.22 -2.24 -0.48 -4.75 114.28 102.40 3k3j n THR 218 Ca -0.12 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3k3j n THR 218 Cb 1.06 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 3k3j n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k3j n GLY 219 N 1.50 0.45 3.02 3.38 0.00 0.09 -4.85 105.19 108.77 3k3j n GLY 219 Ca -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 3k3j n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k3j s ARG 220 N -0.96 0.61 0.18 1.61 0.52 -1.23 -4.77 118.95 114.91 3k3j s ARG 220 Ca 0.00 -0.38 -0.32 0.00 -0.52 0.00 0.00 55.73 54.52 3k3j s ARG 220 Cb 0.00 -0.57 -0.11 0.00 0.52 0.00 0.00 34.95 34.79 3k3j s ARG 220 CO 0.00 0.15 1.69 0.99 0.02 0.00 0.00 175.30 178.15 3k3j s THR 221 N -0.40 2.31 0.05 0.02 2.01 -1.26 -4.09 115.64 114.28 3k3j s THR 221 Ca 0.01 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 3k3j s THR 221 Cb -0.04 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.23 3k3j s THR 221 CO -0.00 0.01 1.43 0.25 -0.69 0.00 0.00 174.62 175.62 3k3j h LEU 222 N 7.14 0.27 -6.61 4.42 5.85 -1.91 -3.38 115.31 121.08 3k3j h LEU 222 Ca -0.43 -0.37 -0.60 0.00 0.84 0.00 0.00 57.88 57.32 3k3j h LEU 222 Cb 1.20 -0.07 -0.40 0.00 0.37 0.00 0.00 40.66 41.76 3k3j h LEU 222 CO 0.94 0.58 -0.82 0.49 -0.34 0.00 0.00 178.44 179.30 3k3j n PHE 223 N -4.71 0.88 -1.61 1.25 3.01 -1.26 -5.01 117.46 110.01 3k3j n PHE 223 Ca -0.06 -3.74 -0.40 0.00 1.01 0.00 0.00 57.45 54.27 3k3j n PHE 223 Cb 0.25 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 3k3j n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3k3j n PRO 224 N 2.34 3.96 -1.91 -1.08 -0.04 -1.26 -4.49 135.00 132.52 3k3j n PRO 224 Ca 0.26 -2.72 -0.40 0.00 -0.04 0.00 0.00 63.50 60.60 3k3j n PRO 224 Cb 0.43 -2.78 0.01 0.00 -0.04 0.00 0.00 33.50 31.12 3k3j n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k3j s GLY 225 N 1.56 2.93 0.08 0.55 0.00 -1.26 -4.94 107.32 106.24 3k3j s GLY 225 Ca 0.62 1.38 0.27 0.00 0.00 0.00 0.00 44.72 46.99 3k3j s GLY 225 CO -0.07 1.99 1.72 -1.30 0.00 0.00 0.00 173.10 175.44 3k3j n THR 226 N 0.04 0.24 -3.45 0.90 -2.24 -1.26 -4.80 114.28 103.71 3k3j n THR 226 Ca 0.04 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3k3j n THR 226 Cb 0.42 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3k3j n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k3j n ASP 227 N -1.83 -0.23 0.09 3.42 3.85 -1.26 -5.02 116.55 115.57 3k3j n ASP 227 Ca 0.06 -1.12 -0.07 0.00 -0.71 0.00 0.00 54.79 52.95 3k3j n ASP 227 Cb 0.38 0.37 0.03 0.00 -1.35 0.00 0.00 41.12 40.56 3k3j n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3k3j h HIS 228 N 1.13 0.24 0.12 2.11 3.86 -1.95 0.13 115.15 120.78 3k3j h HIS 228 Ca -0.04 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 3k3j h HIS 228 Cb 0.15 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3k3j h HIS 228 CO 0.00 0.89 -0.06 0.82 0.86 0.00 0.00 177.93 180.44 3k3j h ILE 229 N 0.10 1.08 -0.90 2.45 1.08 -1.96 -2.58 117.51 116.78 3k3j h ILE 229 Ca -0.03 -0.95 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3k3j h ILE 229 Cb 1.39 1.65 -0.05 0.00 -3.07 0.00 0.00 36.82 36.74 3k3j h ILE 229 CO 0.12 0.22 0.59 -0.78 -0.69 0.00 0.00 178.15 177.61 3k3j h ASP 230 N -0.62 1.00 -0.13 1.72 3.58 -1.95 -1.66 116.42 118.36 3k3j h ASP 230 Ca -0.02 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.45 3k3j h ASP 230 Cb 0.48 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 3k3j h ASP 230 CO 0.03 0.70 -0.12 -0.61 -2.88 0.00 0.00 179.24 176.36 3k3j h GLN 231 N 1.17 -0.13 -0.22 0.28 5.75 -0.70 -0.79 115.11 120.46 3k3j h GLN 231 Ca 0.35 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.74 3k3j h GLN 231 Cb -0.05 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3k3j h GLN 231 CO -0.09 -0.09 -0.35 1.25 -2.65 0.00 0.00 178.83 176.90 3k3j h LEU 232 N -0.14 0.49 -0.24 -2.39 5.85 -1.21 -1.13 115.31 116.54 3k3j h LEU 232 Ca 0.09 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3k3j h LEU 232 Cb 0.26 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3k3j h LEU 232 CO -0.21 0.81 0.13 0.50 -0.34 0.00 0.00 178.44 179.32 3k3j h LYS 233 N 0.40 0.34 -0.34 1.25 3.64 -0.97 0.16 116.57 121.05 3k3j h LYS 233 Ca 0.05 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3k3j h LYS 233 Cb 0.80 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3k3j h LYS 233 CO 0.06 0.31 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.42 3k3j h LEU 234 N 0.27 0.54 -0.04 5.20 3.38 -0.91 -1.94 115.31 121.82 3k3j h LEU 234 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3k3j h LEU 234 Cb 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3k3j h LEU 234 CO -0.01 0.66 0.00 0.40 0.09 0.00 0.00 178.44 179.58 3k3j h ILE 235 N 0.53 1.23 0.00 1.22 2.04 -0.11 -3.11 117.51 119.32 3k3j h ILE 235 Ca 0.10 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3k3j h ILE 235 Cb 0.44 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3k3j h ILE 235 CO 0.02 0.19 -0.32 -0.07 0.00 0.00 0.00 178.15 177.97 3k3j h LEU 236 N -0.21 0.00 -0.66 1.44 3.38 -0.63 -0.79 115.31 117.83 3k3j h LEU 236 Ca 0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3k3j h LEU 236 Cb 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 3k3j h LEU 236 CO 0.00 0.32 0.26 -0.09 0.09 0.00 0.00 178.44 179.03 3k3j h ARG 237 N 0.00 0.44 0.00 1.13 2.43 -1.28 0.60 114.38 117.69 3k3j h ARG 237 Ca -0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k3j h ARG 237 Cb 0.64 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3k3j h ARG 237 CO 0.04 0.29 -0.00 1.25 -1.51 0.00 0.00 179.97 180.04 3k3j h LEU 238 N 0.45 -0.01 -0.02 3.80 5.85 -1.29 -3.40 115.31 120.70 3k3j h LEU 238 Ca 0.34 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3k3j h LEU 238 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3k3j h LEU 238 CO -0.32 0.87 -0.60 1.33 -0.34 0.00 0.00 178.44 179.38 3k3j n VAL 239 N -4.67 0.00 0.00 1.05 0.24 -0.38 -0.65 118.33 113.92 3k3j n VAL 239 Ca -0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3k3j n VAL 239 Cb 0.42 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3k3j n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k3j n GLY 240 N 1.50 -0.22 3.79 7.63 0.00 0.21 -4.13 105.19 113.96 3k3j n GLY 240 Ca 0.05 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3k3j n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k3j s THR 241 N -2.96 3.54 0.14 2.61 -4.23 -0.85 -4.66 115.64 109.23 3k3j s THR 241 Ca 0.00 0.85 -0.34 0.00 -1.18 0.00 0.00 61.69 61.03 3k3j s THR 241 Cb 0.00 -3.33 -0.17 0.00 1.34 0.00 0.00 72.50 70.34 3k3j s THR 241 CO 0.00 -0.31 1.03 -2.65 -0.54 0.00 0.00 174.62 172.15 3k3j n PRO 242 N -1.59 0.70 -2.06 3.99 -0.02 -1.26 -4.85 135.00 129.91 3k3j n PRO 242 Ca 0.10 0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.54 3k3j n PRO 242 Cb 0.52 -1.66 0.18 0.00 -0.02 0.00 0.00 33.50 32.52 3k3j n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3k3j s GLY 243 N -0.18 1.79 0.33 -1.23 0.00 -1.26 -4.80 107.32 101.97 3k3j s GLY 243 Ca 0.75 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 44.16 3k3j s GLY 243 CO 0.54 -0.59 1.94 0.00 0.00 0.00 0.00 173.10 174.99 3k3j h ALA 244 N -1.48 1.44 -0.64 3.20 0.00 -1.99 -1.22 119.26 118.56 3k3j h ALA 244 Ca -0.43 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3k3j h ALA 244 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3k3j h ALA 244 CO 0.37 0.44 0.16 1.49 0.00 0.00 0.00 179.25 181.71 3k3j h GLU 245 N 0.73 1.03 -0.13 0.00 4.81 -2.01 -2.65 114.58 116.36 3k3j h GLU 245 Ca 0.18 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 3k3j h GLU 245 Cb 0.11 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.36 3k3j h GLU 245 CO -0.02 0.92 -0.63 1.25 -0.73 0.00 0.00 179.01 179.81 3k3j h LEU 246 N 0.95 0.77 -1.74 1.64 5.85 -1.87 -3.23 115.31 117.68 3k3j h LEU 246 Ca 0.20 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3k3j h LEU 246 Cb 0.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3k3j h LEU 246 CO 0.00 1.28 0.22 -0.07 -0.34 0.00 0.00 178.44 179.53 3k3j h LEU 247 N 0.31 0.29 -1.65 2.25 3.38 -1.14 -1.18 115.31 117.57 3k3j h LEU 247 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k3j h LEU 247 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3k3j h LEU 247 CO 0.13 0.21 0.00 0.11 0.09 0.00 0.00 178.44 178.97 3k3j h LYS 248 N 0.34 0.00 -0.02 1.13 1.57 -1.49 -2.83 116.57 115.27 3k3j h LYS 248 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3k3j h LYS 248 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3k3j h LYS 248 CO -0.03 0.00 -0.04 1.63 -0.57 0.00 0.00 179.45 180.45 3k3j n LYS 249 N -2.58 2.06 -3.05 3.15 5.02 -0.45 -4.88 118.16 117.43 3k3j n LYS 249 Ca -0.01 -1.60 -0.43 0.00 -2.02 0.00 0.00 58.31 54.26 3k3j n LYS 249 Cb 0.13 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 3k3j n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3k3j s ILE 250 N -2.04 4.76 0.14 -0.18 1.01 -1.07 -4.95 121.20 118.87 3k3j s ILE 250 Ca 0.30 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.17 3k3j s ILE 250 Cb 0.20 -4.24 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 3k3j s ILE 250 CO 0.33 -0.62 1.35 0.77 0.00 0.00 0.00 174.94 176.77 3k3j h SER 251 N 8.88 0.63 -2.53 3.58 4.64 -1.89 -3.45 113.55 123.40 3k3j h SER 251 Ca -0.25 -0.45 -0.56 0.00 -0.47 0.00 0.00 61.79 60.06 3k3j h SER 251 Cb 1.09 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3k3j h SER 251 CO 0.91 1.22 1.21 -0.55 -0.87 0.00 0.00 176.83 178.76 3k3j s SER 252 N -7.06 6.26 0.25 4.97 0.15 -1.26 -4.91 113.70 112.09 3k3j s SER 252 Ca -0.07 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.50 3k3j s SER 252 Cb 0.09 -2.53 0.39 0.00 -1.71 0.00 0.00 66.02 62.26 3k3j s SER 252 CO 0.87 -1.31 1.83 -0.33 1.20 0.00 0.00 173.24 175.50 3k3j h GLU 253 N 11.35 0.85 -0.30 5.44 4.39 -1.99 -1.02 114.58 133.30 3k3j h GLU 253 Ca -0.39 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 3k3j h GLU 253 Cb 1.19 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3k3j h GLU 253 CO 0.98 0.56 -0.03 0.66 -1.16 0.00 0.00 179.01 180.02 3k3j h SER 254 N 0.88 0.55 -0.56 1.42 4.64 -1.99 -1.12 113.55 117.36 3k3j h SER 254 Ca 0.40 -0.34 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3k3j h SER 254 Cb 0.30 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 3k3j h SER 254 CO -0.22 0.75 0.27 0.00 -0.87 0.00 0.00 176.83 176.76 3k3j h ALA 255 N 0.81 0.72 -0.68 5.18 0.00 -1.91 -0.12 119.26 123.27 3k3j h ALA 255 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k3j h ALA 255 Cb 0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3k3j h ALA 255 CO 0.02 -0.10 0.36 0.00 0.00 0.00 0.00 179.25 179.53 3k3j h ARG 256 N 0.50 0.96 0.04 0.00 3.08 -1.05 0.11 114.38 118.03 3k3j h ARG 256 Ca 0.26 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3k3j h ARG 256 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3k3j h ARG 256 CO -0.20 0.73 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.50 3k3j h ASN 257 N 0.93 -0.05 -0.09 7.04 2.35 -0.71 0.24 115.58 125.29 3k3j h ASN 257 Ca 0.24 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3k3j h ASN 257 Cb 0.07 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3k3j h ASN 257 CO -0.04 0.04 -0.25 0.22 -1.65 0.00 0.00 177.43 175.75 3k3j h TYR 258 N -0.14 -0.76 -0.04 1.19 3.20 -0.78 -0.39 116.97 119.25 3k3j h TYR 258 Ca -0.01 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3k3j h TYR 258 Cb 0.12 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 3k3j h TYR 258 CO -0.05 -0.25 -0.37 0.82 -1.64 0.00 0.00 178.16 176.68 3k3j h ILE 259 N -0.25 0.23 0.00 1.81 1.08 -0.64 -2.60 117.51 117.14 3k3j h ILE 259 Ca 0.02 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 3k3j h ILE 259 Cb 0.30 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3k3j h ILE 259 CO -0.22 0.00 -0.19 1.56 -0.69 0.00 0.00 178.15 178.61 3k3j h GLN 260 N -0.50 0.00 0.00 2.37 4.20 -0.46 -2.14 115.11 118.59 3k3j h GLN 260 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k3j h GLN 260 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3k3j h GLN 260 CO -0.32 0.19 0.00 0.43 -0.67 0.00 0.00 178.83 178.46 3k3j n SER 261 N -4.03 0.00 -4.83 1.46 7.64 -0.16 -4.86 113.62 108.84 3k3j n SER 261 Ca -0.02 0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.76 3k3j n SER 261 Cb 0.27 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 3k3j n SER 261 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k3j s LEU 262 N -2.80 3.82 -0.06 -3.43 1.43 -0.81 -4.98 118.68 111.85 3k3j s LEU 262 Ca 0.18 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.61 3k3j s LEU 262 Cb 0.17 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 3k3j s LEU 262 CO 0.42 -0.44 1.65 -0.89 0.23 0.00 0.00 176.35 177.32 3k3j s THR 263 N -2.35 3.59 0.09 5.49 2.01 -1.26 -4.92 115.64 118.30 3k3j s THR 263 Ca 0.60 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 63.01 3k3j s THR 263 Cb -0.09 -3.47 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3k3j s THR 263 CO 0.20 -0.07 1.89 1.67 -0.69 0.00 0.00 174.62 177.62 3k3j n GLN 264 N 7.15 2.80 -5.11 4.92 7.27 -1.26 -4.90 117.38 128.25 3k3j n GLN 264 Ca 0.17 1.02 -0.32 0.00 0.07 0.00 0.00 57.00 57.95 3k3j n GLN 264 Cb 0.43 -2.94 -0.15 0.00 2.41 0.00 0.00 30.24 29.99 3k3j n GLN 264 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3k3j s MET 265 N 3.34 2.47 0.62 3.69 -1.94 -1.26 -4.98 119.30 121.25 3k3j s MET 265 Ca 0.85 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 3k3j s MET 265 Cb -0.47 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 3k3j s MET 265 CO 0.39 0.50 1.05 -1.25 -0.01 0.00 0.00 175.02 175.70 3k3j s PRO 266 N -0.44 3.26 0.25 2.03 0.04 -1.26 -2.00 135.00 136.87 3k3j s PRO 266 Ca 0.05 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 3k3j s PRO 266 Cb -0.12 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3k3j s PRO 266 CO 0.01 -0.85 1.60 0.21 0.04 0.00 0.00 177.00 178.01 3k3j s LYS 267 N -4.43 4.15 0.75 4.56 2.20 -1.26 -4.04 119.74 121.68 3k3j s LYS 267 Ca 0.61 2.52 -0.11 0.00 -0.36 0.00 0.00 55.97 58.62 3k3j s LYS 267 Cb -0.15 -3.06 0.05 0.00 -1.51 0.00 0.00 37.83 33.16 3k3j s LYS 267 CO 0.43 -0.63 1.10 -1.64 -0.36 0.00 0.00 175.35 174.25 3k3j s MET 268 N 0.12 2.35 -0.61 4.03 -1.94 0.18 -4.91 119.30 118.50 3k3j s MET 268 Ca 0.66 1.23 -0.28 0.00 -1.71 0.00 0.00 55.69 55.59 3k3j s MET 268 Cb -0.47 -1.90 0.03 0.00 2.01 0.00 0.00 34.83 34.49 3k3j s MET 268 CO 0.41 -1.58 1.27 1.21 -0.01 0.00 0.00 175.02 176.32 3k3j s ASN 269 N -3.20 6.30 0.33 3.03 3.84 -1.26 -4.92 114.94 119.06 3k3j s ASN 269 Ca 0.63 0.02 0.01 0.00 0.21 0.00 0.00 52.86 53.73 3k3j s ASN 269 Cb -0.18 -2.55 0.55 0.00 -0.55 0.00 0.00 41.25 38.52 3k3j s ASN 269 CO 0.53 -1.62 1.95 -0.26 -2.79 0.00 0.00 177.10 174.91 3k3j h PHE 270 N 10.02 0.82 -0.52 0.43 -1.00 -1.94 -0.85 116.94 123.90 3k3j h PHE 270 Ca -0.26 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.61 3k3j h PHE 270 Cb 1.06 -0.26 -0.08 0.00 3.61 0.00 0.00 35.95 40.27 3k3j h PHE 270 CO 1.06 0.58 0.02 0.00 -1.61 0.00 0.00 178.31 178.35 3k3j h ALA 271 N 1.52 0.52 0.31 2.45 0.00 -1.92 0.15 119.26 122.29 3k3j h ALA 271 Ca 0.22 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3k3j h ALA 271 Cb 0.03 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k3j h ALA 271 CO -0.03 -0.37 -0.15 -0.91 0.00 0.00 0.00 179.25 177.78 3k3j h ASN 272 N 0.14 -0.35 -0.56 0.00 -0.26 -1.71 -1.35 115.58 111.48 3k3j h ASN 272 Ca 0.27 -0.10 0.04 0.00 -0.56 0.00 0.00 56.30 55.95 3k3j h ASN 272 Cb 0.40 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.72 3k3j h ASN 272 CO -0.42 -0.11 0.37 0.58 -1.06 0.00 0.00 177.43 176.79 3k3j h VAL 273 N -0.59 1.05 -0.32 2.81 2.07 -1.01 -1.82 116.25 118.44 3k3j h VAL 273 Ca -0.04 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3k3j h VAL 273 Cb 0.43 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 3k3j h VAL 273 CO 0.07 0.11 -0.05 0.49 0.02 0.00 0.00 177.57 178.21 3k3j n PHE 274 N -4.47 1.02 -1.56 1.57 3.72 0.50 -5.05 117.46 113.19 3k3j n PHE 274 Ca 0.07 -1.40 -0.49 0.00 -0.05 0.00 0.00 57.45 55.57 3k3j n PHE 274 Cb 0.16 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.22 3k3j n PHE 274 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3k3j n ILE 275 N -0.99 0.93 0.00 4.37 3.06 -0.51 -1.53 119.36 124.69 3k3j n ILE 275 Ca 0.30 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 3k3j n ILE 275 Cb 0.99 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 40.42 3k3j n ILE 275 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3k3j n GLY 276 N 1.96 2.95 3.84 4.50 0.00 -1.26 -5.06 105.19 112.11 3k3j n GLY 276 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3k3j n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3j s ALA 277 N -2.81 3.55 -0.25 4.61 0.00 -0.58 -4.98 121.76 121.30 3k3j s ALA 277 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 51.96 51.44 3k3j s ALA 277 Cb 0.00 -2.57 -0.20 0.00 0.00 0.00 0.00 23.12 20.35 3k3j s ALA 277 CO 0.00 0.43 1.36 -1.71 0.00 0.00 0.00 175.76 175.84 3k3j n ASN 278 N 0.76 0.73 0.06 0.00 2.85 -1.26 -4.72 115.26 113.69 3k3j n ASN 278 Ca -0.05 1.17 0.19 0.00 -0.11 0.00 0.00 54.58 55.78 3k3j n ASN 278 Cb 0.52 -0.92 0.71 0.00 1.24 0.00 0.00 39.78 41.33 3k3j n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k3j h PRO 279 N 4.18 0.00 -0.00 1.20 0.11 -1.96 0.46 132.00 136.00 3k3j h PRO 279 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3k3j h PRO 279 Cb 1.39 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.48 3k3j h PRO 279 CO 0.82 0.00 -0.81 -0.07 -0.21 0.00 0.00 178.00 177.73 3k3j h LEU 280 N 0.00 0.08 -0.69 2.35 3.38 -1.99 0.06 115.31 118.50 3k3j h LEU 280 Ca 0.20 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3k3j h LEU 280 Cb 0.85 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3k3j h LEU 280 CO -0.00 0.86 -0.09 0.00 0.09 0.00 0.00 178.44 179.30 3k3j h ALA 281 N 1.14 0.88 -0.47 1.53 0.00 -1.29 -2.11 119.26 118.94 3k3j h ALA 281 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3k3j h ALA 281 Cb 1.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3k3j h ALA 281 CO 0.11 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.50 3k3j h VAL 282 N 0.84 1.19 -0.29 0.00 2.07 -0.95 -0.54 116.25 118.57 3k3j h VAL 282 Ca 0.14 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3k3j h VAL 282 Cb 0.61 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3k3j h VAL 282 CO 0.04 0.22 0.19 -0.78 0.02 0.00 0.00 177.57 177.25 3k3j h ASP 283 N 0.62 0.34 -0.50 0.57 3.58 -0.82 -1.69 116.42 118.52 3k3j h ASP 283 Ca 0.16 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 3k3j h ASP 283 Cb 0.14 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 3k3j h ASP 283 CO -0.02 0.26 0.17 0.25 -2.88 0.00 0.00 179.24 177.02 3k3j h LEU 284 N 0.38 0.71 -1.10 2.28 5.85 -1.19 -1.87 115.31 120.37 3k3j h LEU 284 Ca 0.11 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3k3j h LEU 284 Cb -0.03 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3k3j h LEU 284 CO -0.02 0.72 0.61 -0.07 -0.34 0.00 0.00 178.44 179.33 3k3j h LEU 285 N 0.67 0.94 -1.04 2.25 3.38 -0.84 -0.37 115.31 120.30 3k3j h LEU 285 Ca 0.16 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3k3j h LEU 285 Cb 0.25 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3k3j h LEU 285 CO -0.01 0.59 0.65 -0.33 0.09 0.00 0.00 178.44 179.43 3k3j h GLU 286 N 1.06 1.29 0.00 1.13 5.08 -0.57 -0.89 114.58 121.68 3k3j h GLU 286 Ca 0.41 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.56 3k3j h GLU 286 Cb 0.23 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3k3j h GLU 286 CO -0.16 0.85 -0.65 0.87 -1.00 0.00 0.00 179.01 178.92 3k3j h LYS 287 N 1.33 0.00 0.20 2.33 1.57 -0.37 -3.27 116.57 118.36 3k3j h LYS 287 Ca 0.36 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.80 3k3j h LYS 287 Cb -0.15 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.18 3k3j h LYS 287 CO -0.08 0.65 -1.65 0.52 -0.57 0.00 0.00 179.45 178.31 3k3j h MET 288 N 0.00 0.42 -1.07 3.15 2.86 -1.02 -1.78 114.93 117.49 3k3j h MET 288 Ca -0.01 -0.72 -0.59 0.00 -2.06 0.00 0.00 59.70 56.32 3k3j h MET 288 Cb 1.20 0.27 -0.27 0.00 0.06 0.00 0.00 31.60 32.86 3k3j h MET 288 CO 0.08 1.34 0.77 1.28 1.06 0.00 0.00 176.91 181.44 3k3j n LEU 289 N -3.66 7.32 -4.74 1.22 4.77 -0.36 -4.19 117.00 117.36 3k3j n LEU 289 Ca -0.23 -4.00 -0.41 0.00 -0.03 0.00 0.00 56.01 51.34 3k3j n LEU 289 Cb 1.07 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3k3j n LEU 289 CO 0.53 1.35 0.92 -0.69 -1.33 0.00 0.00 177.39 178.17 3k3j s VAL 290 N -4.15 3.32 0.08 4.08 1.01 -1.23 -4.90 120.40 118.61 3k3j s VAL 290 Ca 0.58 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.51 3k3j s VAL 290 Cb 0.46 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 3k3j s VAL 290 CO 0.01 0.20 1.60 0.25 0.00 0.00 0.00 175.10 177.17 3k3j h LEU 291 N 4.88 0.26 -9.00 3.92 5.85 -1.92 -3.40 115.31 115.89 3k3j h LEU 291 Ca -0.45 -0.19 -0.57 0.00 0.84 0.00 0.00 57.88 57.51 3k3j h LEU 291 Cb 1.22 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3k3j h LEU 291 CO 0.73 0.38 0.94 -0.62 -0.34 0.00 0.00 178.44 179.53 3k3j s ASP 292 N -5.62 6.77 0.50 1.25 -1.08 -1.26 -4.90 116.67 112.33 3k3j s ASP 292 Ca -0.14 1.30 0.18 0.00 -0.52 0.00 0.00 52.55 53.37 3k3j s ASP 292 Cb 0.07 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.24 3k3j s ASP 292 CO 0.71 -0.98 2.10 0.77 0.52 0.00 0.00 175.17 178.29 3k3j h SER 293 N 8.88 0.00 -0.00 -0.34 4.64 -1.99 -0.65 113.55 124.09 3k3j h SER 293 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3k3j h SER 293 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3k3j h SER 293 CO 1.02 0.08 0.01 0.44 -0.87 0.00 0.00 176.83 177.51 3k3j h ASP 294 N 0.00 0.00 -0.02 4.97 3.32 -1.95 -2.97 116.42 119.78 3k3j h ASP 294 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k3j h ASP 294 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3k3j h ASP 294 CO 0.01 0.00 -0.25 0.29 -1.72 0.00 0.00 179.24 177.57 3k3j n LYS 295 N -3.09 1.63 -2.24 3.56 4.76 -0.25 -5.00 118.16 117.53 3k3j n LYS 295 Ca -0.03 -1.27 -0.34 0.00 -2.87 0.00 0.00 58.31 53.80 3k3j n LYS 295 Cb 0.08 -1.40 -0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3k3j n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3k3j s ARG 296 N -2.06 3.44 0.40 1.97 0.52 -1.12 -4.95 118.95 117.15 3k3j s ARG 296 Ca 0.20 1.37 -0.25 0.00 -0.52 0.00 0.00 55.73 56.53 3k3j s ARG 296 Cb 0.17 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 3k3j s ARG 296 CO 0.41 -0.73 1.18 -1.50 0.02 0.00 0.00 175.30 174.68 3k3j s ILE 297 N -2.12 3.12 0.78 1.52 2.07 -0.67 -5.02 121.20 120.88 3k3j s ILE 297 Ca 0.67 0.94 -0.09 0.00 -1.41 0.00 0.00 60.65 60.77 3k3j s ILE 297 Cb -0.18 -3.53 0.10 0.00 0.13 0.00 0.00 42.46 38.98 3k3j s ILE 297 CO 0.29 0.09 1.11 0.42 -1.91 0.00 0.00 174.94 174.94 3k3j s THR 298 N -1.40 2.15 0.12 4.00 -4.23 -1.26 -4.89 115.64 110.12 3k3j s THR 298 Ca 0.57 -0.21 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 3k3j s THR 298 Cb -0.31 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 3k3j s THR 298 CO 0.39 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 176.00 3k3j h ALA 299 N -0.90 0.51 -0.28 3.99 0.00 -1.94 0.28 119.26 120.93 3k3j h ALA 299 Ca -0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3k3j h ALA 299 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3k3j h ALA 299 CO 0.53 0.35 0.15 0.00 0.00 0.00 0.00 179.25 180.29 3k3j h ALA 300 N 0.84 0.37 -0.70 0.00 0.00 -1.94 -1.68 119.26 116.14 3k3j h ALA 300 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3k3j h ALA 300 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3k3j h ALA 300 CO 0.03 -0.09 0.36 1.96 0.00 0.00 0.00 179.25 181.51 3k3j h GLN 301 N 0.34 0.99 -0.44 0.00 4.20 -1.92 -2.80 115.11 115.47 3k3j h GLN 301 Ca 0.10 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3k3j h GLN 301 Cb 0.09 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3k3j h GLN 301 CO -0.01 0.76 0.13 0.00 -0.67 0.00 0.00 178.83 179.04 3k3j h ALA 302 N 1.18 1.42 -0.76 3.87 0.00 -0.56 -1.76 119.26 122.65 3k3j h ALA 302 Ca 0.24 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3k3j h ALA 302 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3k3j h ALA 302 CO -0.04 0.43 0.50 -0.07 0.00 0.00 0.00 179.25 180.07 3k3j h LEU 303 N 0.63 0.65 -0.28 0.00 3.38 -1.04 -0.84 115.31 117.81 3k3j h LEU 303 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3k3j h LEU 303 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k3j h LEU 303 CO -0.01 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 178.91 3k3j n ALA 304 N -2.45 2.66 -1.77 1.53 0.00 -0.67 -4.74 120.51 115.07 3k3j n ALA 304 Ca 0.12 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3k3j n ALA 304 Cb 0.28 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3k3j n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k3j s HIS 305 N -2.05 2.92 0.59 0.00 5.04 -0.32 -4.91 115.29 116.56 3k3j s HIS 305 Ca 0.43 1.38 0.29 0.00 -1.54 0.00 0.00 55.06 55.63 3k3j s HIS 305 Cb 0.22 -3.72 1.62 0.00 0.04 0.00 0.00 32.58 30.74 3k3j s HIS 305 CO 0.37 -2.07 2.04 0.00 -2.34 0.00 0.00 174.74 172.74 3k3j h ALA 306 N 3.10 1.87 -0.02 1.58 0.00 -1.90 -0.64 119.26 123.26 3k3j h ALA 306 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k3j h ALA 306 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3k3j h ALA 306 CO 0.64 -0.41 0.02 -0.92 0.00 0.00 0.00 179.25 178.58 3k3j h TYR 307 N 0.00 0.00 -0.54 0.00 3.20 -1.91 -2.41 116.97 115.31 3k3j h TYR 307 Ca 0.12 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3k3j h TYR 307 Cb 0.69 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 3k3j h TYR 307 CO 0.00 0.00 0.13 1.19 -1.64 0.00 0.00 178.16 177.84 3k3j n PHE 308 N -3.69 1.80 0.05 -3.82 3.01 -0.25 -4.65 117.46 109.91 3k3j n PHE 308 Ca -0.03 -1.16 0.15 0.00 1.01 0.00 0.00 57.45 57.43 3k3j n PHE 308 Cb 0.10 -0.55 0.63 0.00 -0.01 0.00 0.00 39.48 39.66 3k3j n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k3j h ALA 309 N 2.22 2.26 0.00 4.37 0.00 -1.58 0.11 119.26 126.65 3k3j h ALA 309 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k3j h ALA 309 Cb 1.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 3k3j h ALA 309 CO 0.53 -0.37 -0.03 1.96 0.00 0.00 0.00 179.25 181.34 3k3j h GLN 310 N 0.09 0.00 0.00 0.00 4.20 -1.86 -3.35 115.11 114.19 3k3j h GLN 310 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3k3j h GLN 310 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3k3j h GLN 310 CO -0.02 0.03 -0.58 0.66 -0.67 0.00 0.00 178.83 178.25 3k3j n TYR 311 N -3.29 0.00 -1.99 2.96 4.02 -0.09 -5.05 117.16 113.72 3k3j n TYR 311 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 3k3j n TYR 311 Cb 0.15 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 3k3j n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3k3j s HIS 312 N -1.58 3.09 -0.25 -0.72 2.46 0.20 -4.98 115.29 113.50 3k3j s HIS 312 Ca 0.00 0.75 -0.04 0.00 0.47 0.00 0.00 55.06 56.24 3k3j s HIS 312 Cb 0.00 -3.87 0.08 0.00 -0.13 0.00 0.00 32.58 28.67 3k3j s HIS 312 CO 0.00 -3.12 0.10 0.34 -2.47 0.00 0.00 174.74 169.59 3k3j s ASP 313 N 1.00 3.21 0.57 9.88 -1.08 -1.26 -4.99 116.67 124.00 3k3j s ASP 313 Ca 0.67 -1.10 0.35 0.00 -0.52 0.00 0.00 52.55 51.95 3k3j s ASP 313 Cb -0.42 -0.42 1.89 0.00 -1.46 0.00 0.00 42.92 42.51 3k3j s ASP 313 CO 0.33 -0.40 2.06 1.55 0.52 0.00 0.00 175.17 179.23 3k3j h PRO 314 N 8.35 0.00 -0.26 4.34 0.13 -1.97 -0.02 132.00 142.56 3k3j h PRO 314 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3k3j h PRO 314 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3k3j h PRO 314 CO 0.39 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.91 3k3j n ASP 315 N -2.79 2.77 -2.62 1.44 8.00 -1.26 -4.19 116.55 117.90 3k3j n ASP 315 Ca -0.02 -1.89 -0.10 0.00 0.71 0.00 0.00 54.79 53.49 3k3j n ASP 315 Cb 0.14 -0.17 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3k3j n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k3j n ASP 316 N 1.06 2.40 -3.26 -2.24 4.64 -0.02 -4.88 116.55 114.25 3k3j n ASP 316 Ca 0.18 -2.73 -0.25 0.00 -1.38 0.00 0.00 54.79 50.61 3k3j n ASP 316 Cb 0.51 -0.48 -0.07 0.00 -1.04 0.00 0.00 41.12 40.04 3k3j n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3k3j n GLU 317 N -0.40 1.13 -1.65 -0.67 1.02 -1.24 -4.86 120.64 113.97 3k3j n GLU 317 Ca 0.17 -3.57 -0.33 0.00 -0.02 0.00 0.00 57.16 53.41 3k3j n GLU 317 Cb 0.81 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.82 3k3j n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3k3j s PRO 318 N -1.45 2.60 0.50 3.49 0.04 -1.26 -4.97 135.00 133.95 3k3j s PRO 318 Ca 0.36 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.93 3k3j s PRO 318 Cb 0.16 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.82 3k3j s PRO 318 CO -0.09 -1.42 0.69 0.14 0.04 0.00 0.00 177.00 176.36 3k3j s VAL 319 N -2.27 2.72 0.15 -0.36 -7.23 -1.26 -4.23 120.40 107.91 3k3j s VAL 319 Ca 0.69 -0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 3k3j s VAL 319 Cb -0.22 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 3k3j s VAL 319 CO 0.43 0.00 0.37 0.00 -0.31 0.00 0.00 175.10 175.59 3k3j s ALA 320 N -2.57 3.80 0.41 1.32 0.00 -1.26 -5.02 121.76 118.45 3k3j s ALA 320 Ca 0.57 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 3k3j s ALA 320 Cb -0.09 -2.10 -0.11 0.00 0.00 0.00 0.00 23.12 20.82 3k3j s ALA 320 CO 0.36 0.65 0.96 -0.25 0.00 0.00 0.00 175.76 177.48 3k3j n ASP 321 N 0.00 1.01 -4.48 0.00 9.92 -1.26 -4.71 116.55 117.03 3k3j n ASP 321 Ca -0.03 1.03 -0.46 0.00 -0.53 0.00 0.00 54.79 54.80 3k3j n ASP 321 Cb 0.52 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.65 3k3j n ASP 321 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3k3j n PRO 322 N 0.21 0.57 -3.96 -0.24 -0.02 -1.26 -4.74 135.00 125.57 3k3j n PRO 322 Ca 0.10 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.48 3k3j n PRO 322 Cb 0.39 -1.36 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3k3j n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3k3j s TYR 323 N -1.04 2.07 -0.67 6.00 5.04 -1.26 -5.08 117.35 122.40 3k3j s TYR 323 Ca 0.62 -1.30 -0.27 0.00 -2.44 0.00 0.00 57.07 53.67 3k3j s TYR 323 Cb -0.83 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.02 3k3j s TYR 323 CO 0.58 -0.67 1.22 0.34 -1.34 0.00 0.00 175.55 175.67 3k3j s ASP 324 N 1.51 6.26 -0.12 4.32 2.15 -1.26 -4.86 116.67 124.67 3k3j s ASP 324 Ca 0.01 -0.30 0.16 0.00 0.43 0.00 0.00 52.55 52.85 3k3j s ASP 324 Cb -0.15 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.53 3k3j s ASP 324 CO -0.08 -1.67 1.51 0.00 -0.17 0.00 0.00 175.17 174.76 3k3j n GLN 325 N 8.88 3.47 0.23 4.34 6.02 -1.26 -4.56 117.38 134.51 3k3j n GLN 325 Ca 0.04 -2.74 0.18 0.00 -0.01 0.00 0.00 57.00 54.46 3k3j n GLN 325 Cb 0.49 -1.80 0.87 0.00 1.02 0.00 0.00 30.24 30.82 3k3j n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k3j h SER 326 N 3.06 0.00 0.38 1.08 4.64 -2.04 -1.18 113.55 119.49 3k3j h SER 326 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3k3j h SER 326 Cb 1.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3k3j h SER 326 CO 0.21 0.00 -0.07 2.19 -0.87 0.00 0.00 176.83 178.29 3k3j h PHE 327 N 0.00 0.00 -0.47 4.77 -5.15 -1.98 -2.68 116.94 111.43 3k3j h PHE 327 Ca 0.07 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.93 3k3j h PHE 327 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.60 3k3j h PHE 327 CO 0.00 0.07 0.32 0.93 -2.00 0.00 0.00 178.31 177.63 3k3j h GLU 328 N 0.00 0.24 -0.00 6.09 4.39 -1.59 -0.92 114.58 122.79 3k3j h GLU 328 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3k3j h GLU 328 Cb 0.27 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3k3j h GLU 328 CO 0.01 0.16 -0.07 -1.13 -1.16 0.00 0.00 179.01 176.81 3k3j n SER 329 N -4.46 0.43 -4.83 1.42 3.41 -1.01 -4.90 113.62 103.67 3k3j n SER 329 Ca 0.07 -0.64 -0.38 0.00 -0.26 0.00 0.00 58.87 57.66 3k3j n SER 329 Cb 0.37 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 3k3j n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k3j s ARG 330 N -2.39 3.99 -0.39 4.33 0.52 -0.35 -5.06 118.95 119.60 3k3j s ARG 330 Ca 0.32 0.50 -0.08 0.00 -0.52 0.00 0.00 55.73 55.95 3k3j s ARG 330 Cb 0.20 -3.22 0.07 0.00 0.52 0.00 0.00 34.95 32.52 3k3j s ARG 330 CO 0.45 0.68 0.20 -0.51 0.02 0.00 0.00 175.30 176.13 3k3j s ASP 331 N -1.10 5.49 0.26 0.23 1.01 -1.26 -5.06 116.67 116.24 3k3j s ASP 331 Ca 0.25 -1.41 0.07 0.00 0.71 0.00 0.00 52.55 52.17 3k3j s ASP 331 Cb -0.17 -1.93 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 3k3j s ASP 331 CO 0.15 -0.46 -0.08 -0.76 0.21 0.00 0.00 175.17 174.23 3k3j s LEU 332 N 1.40 2.48 0.65 1.23 1.43 -1.26 -5.13 118.68 119.47 3k3j s LEU 332 Ca 0.02 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 3k3j s LEU 332 Cb -0.22 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 3k3j s LEU 332 CO 0.02 -0.31 1.05 -0.76 0.23 0.00 0.00 176.35 176.58 3k3j s LEU 333 N -3.41 3.27 0.18 1.79 1.43 -1.26 -4.88 118.68 115.80 3k3j s LEU 333 Ca 0.28 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.88 3k3j s LEU 333 Cb 0.03 -4.50 0.16 0.00 0.03 0.00 0.00 46.19 41.91 3k3j s LEU 333 CO 0.11 -1.23 1.74 0.40 0.23 0.00 0.00 176.35 177.59 3k3j h ILE 334 N -0.26 0.81 -0.15 -0.59 2.04 -1.92 -0.92 117.51 116.51 3k3j h ILE 334 Ca -0.45 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3k3j h ILE 334 Cb 1.21 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3k3j h ILE 334 CO 0.58 0.06 -0.05 0.44 0.00 0.00 0.00 178.15 179.18 3k3j h ASP 335 N 0.31 0.21 0.28 1.72 3.45 -1.96 0.38 116.42 120.81 3k3j h ASP 335 Ca 0.23 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3k3j h ASP 335 Cb 0.26 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3k3j h ASP 335 CO -0.26 0.30 -0.14 -0.33 -1.57 0.00 0.00 179.24 177.24 3k3j h GLU 336 N 0.22 -0.36 -0.91 3.56 5.08 -1.58 0.09 114.58 120.68 3k3j h GLU 336 Ca 0.05 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3k3j h GLU 336 Cb 0.24 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 3k3j h GLU 336 CO 0.01 -0.07 0.55 -1.49 -1.00 0.00 0.00 179.01 177.02 3k3j h TRP 337 N -0.67 1.00 -0.30 4.33 4.06 -1.16 -1.25 115.95 121.97 3k3j h TRP 337 Ca -0.04 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.97 3k3j h TRP 337 Cb 0.47 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 3k3j h TRP 337 CO 0.01 0.43 0.10 -0.22 -3.56 0.00 0.00 178.44 175.20 3k3j h LYS 338 N 0.92 0.23 -0.62 0.49 3.64 -0.85 -1.22 116.57 119.16 3k3j h LYS 338 Ca 0.43 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.82 3k3j h LYS 338 Cb 0.37 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3k3j h LYS 338 CO -0.24 0.15 0.39 1.03 -2.27 0.00 0.00 179.45 178.51 3k3j h SER 339 N 0.23 0.64 -0.40 4.20 0.87 -0.53 -1.15 113.55 117.41 3k3j h SER 339 Ca 0.13 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3k3j h SER 339 Cb 0.10 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3k3j h SER 339 CO -0.13 0.45 0.25 -0.07 -0.53 0.00 0.00 176.83 176.80 3k3j h LEU 340 N 0.77 0.42 -0.75 2.23 3.38 -1.04 -1.10 115.31 119.21 3k3j h LEU 340 Ca 0.24 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3k3j h LEU 340 Cb -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3k3j h LEU 340 CO -0.09 0.30 0.50 0.74 0.09 0.00 0.00 178.44 179.98 3k3j h THR 341 N 0.51 1.19 -0.62 0.22 2.02 -1.04 -1.96 112.91 113.23 3k3j h THR 341 Ca 0.15 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3k3j h THR 341 Cb -0.03 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3k3j h THR 341 CO -0.05 0.19 0.19 0.22 0.37 0.00 0.00 175.52 176.43 3k3j h TYR 342 N 1.02 0.96 -0.77 3.16 3.20 -0.79 -1.08 116.97 122.67 3k3j h TYR 342 Ca 0.28 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3k3j h TYR 342 Cb -0.12 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.83 3k3j h TYR 342 CO -0.02 0.77 0.50 -0.44 -1.64 0.00 0.00 178.16 177.34 3k3j h ASP 343 N 0.91 0.86 -0.27 -2.11 3.45 -0.85 -1.33 116.42 117.09 3k3j h ASP 343 Ca 0.20 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.53 3k3j h ASP 343 Cb 0.27 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 3k3j h ASP 343 CO -0.01 0.62 -0.24 -0.33 -1.57 0.00 0.00 179.24 177.71 3k3j h GLU 344 N 1.02 0.75 0.07 3.56 4.39 -0.56 -0.61 114.58 123.20 3k3j h GLU 344 Ca 0.29 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3k3j h GLU 344 Cb -0.09 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3k3j h GLU 344 CO -0.07 0.92 -0.14 0.28 -1.16 0.00 0.00 179.01 178.84 3k3j h VAL 345 N 0.65 0.68 -0.47 3.13 2.07 -0.88 -2.91 116.25 118.52 3k3j h VAL 345 Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3k3j h VAL 345 Cb 0.75 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3k3j h VAL 345 CO 0.06 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.11 3k3j h ILE 346 N -0.27 1.22 -0.00 4.57 1.08 -1.15 -2.94 117.51 120.02 3k3j h ILE 346 Ca 0.03 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3k3j h ILE 346 Cb 0.29 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3k3j h ILE 346 CO -0.09 0.31 -0.01 -1.54 -0.69 0.00 0.00 178.15 176.13 3k3j n SER 347 N -4.26 0.43 -4.74 1.72 3.41 -0.25 -4.90 113.62 105.03 3k3j n SER 347 Ca 0.03 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 3k3j n SER 347 Cb 0.25 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3k3j n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3k3j s PHE 348 N -2.10 3.12 -0.21 7.33 5.36 -1.10 -5.00 117.98 125.37 3k3j s PHE 348 Ca 0.42 1.01 -0.01 0.00 -0.96 0.00 0.00 56.93 57.38 3k3j s PHE 348 Cb 0.21 -3.76 0.01 0.00 -0.34 0.00 0.00 43.02 39.14 3k3j s PHE 348 CO 0.38 -2.54 -0.11 0.08 -1.46 0.00 0.00 175.22 171.57 3k3j s VAL 349 N 0.34 2.70 0.83 3.12 1.01 -1.26 -5.09 120.40 122.05 3k3j s VAL 349 Ca 0.61 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3k3j s VAL 349 Cb -0.40 -2.24 0.09 0.00 0.00 0.00 0.00 36.38 33.83 3k3j s VAL 349 CO 0.38 0.40 1.13 -2.16 0.00 0.00 0.00 175.10 174.86 3k3j s PRO 350 N 1.36 1.67 0.64 2.72 0.04 -1.26 -4.98 135.00 135.19 3k3j s PRO 350 Ca 0.04 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 3k3j s PRO 350 Cb -0.14 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3k3j s PRO 350 CO -0.07 -2.13 1.12 -1.25 0.04 0.00 0.00 177.00 174.71 3k3j s PRO 351 N -4.62 2.87 0.00 0.56 0.04 -1.26 -5.15 135.00 127.43 3k3j s PRO 351 Ca 0.66 1.46 0.22 0.00 0.04 0.00 0.00 61.00 63.38 3k3j s PRO 351 Cb -0.21 -1.95 1.30 0.00 0.04 0.00 0.00 34.50 33.67 3k3j s PRO 351 CO 0.55 -1.21 1.68 -0.35 0.04 0.00 0.00 177.00 177.71