#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk4 s VAL 18 N 0.00 0.83 0.06 0.00 0.11 -1.26 -4.22 120.40 115.92 3dk4 s VAL 18 Ca 0.00 -0.20 -0.26 0.00 -2.93 0.00 0.00 61.98 58.59 3dk4 s VAL 18 Cb 0.00 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 3dk4 s VAL 18 CO 0.00 0.33 0.82 0.00 -3.33 0.00 0.00 175.10 172.91 3dk4 s ALA 19 N 1.54 3.34 -0.06 1.54 0.00 -1.00 -4.91 121.76 122.21 3dk4 s ALA 19 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3dk4 s ALA 19 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3dk4 s ALA 19 CO -0.05 0.04 -0.03 0.45 0.00 0.00 0.00 175.76 176.17 3dk4 s SER 20 N -0.03 4.94 0.23 0.00 0.15 -1.26 -0.80 113.70 116.92 3dk4 s SER 20 Ca 0.41 0.04 0.05 0.00 0.70 0.00 0.00 55.95 57.15 3dk4 s SER 20 Cb -0.21 -1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.74 3dk4 s SER 20 CO 0.25 0.35 -0.07 -0.31 1.20 0.00 0.00 173.24 174.66 3dk4 s TYR 21 N -0.89 1.66 0.21 3.44 1.51 -0.42 -4.97 117.35 117.90 3dk4 s TYR 21 Ca 0.14 -0.75 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 3dk4 s TYR 21 Cb -0.11 -0.90 0.18 0.00 -0.11 0.00 0.00 41.96 41.02 3dk4 s TYR 21 CO 0.03 0.16 1.53 -0.44 -1.11 0.00 0.00 175.55 175.72 3dk4 h ASP 22 N 2.48 0.41 -2.96 2.29 3.45 -1.18 -3.36 116.42 117.54 3dk4 h ASP 22 Ca -0.38 -0.23 -0.19 0.00 0.43 0.00 0.00 57.03 56.65 3dk4 h ASP 22 Cb 1.22 -0.12 -0.31 0.00 -0.56 0.00 0.00 39.33 39.56 3dk4 h ASP 22 CO 0.65 0.91 -0.49 -0.47 -1.57 0.00 0.00 179.24 178.27 3dk4 s TYR 23 N -3.81 -0.45 -0.17 4.55 5.04 -0.99 -3.77 117.35 117.75 3dk4 s TYR 23 Ca -0.05 1.00 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3dk4 s TYR 23 Cb 0.12 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 3dk4 s TYR 23 CO 0.82 -0.34 -0.11 -0.51 -1.34 0.00 0.00 175.55 174.07 3dk4 s LEU 24 N 2.12 2.70 -0.19 6.97 1.43 -0.64 -1.63 118.68 129.44 3dk4 s LEU 24 Ca -0.02 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3dk4 s LEU 24 Cb -0.11 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3dk4 s LEU 24 CO -0.09 0.08 -0.12 -0.69 0.23 0.00 0.00 176.35 175.76 3dk4 s VAL 25 N 0.88 2.78 -0.52 -1.59 1.01 -0.11 -0.88 120.40 121.96 3dk4 s VAL 25 Ca -0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 3dk4 s VAL 25 Cb -0.15 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.08 3dk4 s VAL 25 CO -0.00 0.48 0.62 -0.63 0.00 0.00 0.00 175.10 175.58 3dk4 s ILE 26 N 1.27 4.89 0.00 2.22 1.01 0.40 -0.59 121.20 130.40 3dk4 s ILE 26 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3dk4 s ILE 26 Cb -0.14 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3dk4 s ILE 26 CO -0.06 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.64 3dk4 n GLY 27 N 5.20 3.09 2.56 6.18 0.00 0.22 -0.57 105.19 121.86 3dk4 n GLY 27 Ca -0.08 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3dk4 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk4 n GLY 28 N 1.02 5.85 0.00 -0.02 0.00 -1.23 -4.14 105.19 106.67 3dk4 n GLY 28 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.47 3dk4 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk4 n GLY 29 N -0.62 2.72 0.31 -0.02 0.00 -1.26 -0.76 105.19 105.55 3dk4 n GLY 29 Ca 0.50 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3dk4 n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dk4 h SER 30 N 0.00 -0.89 -0.24 1.61 0.02 -1.93 -0.41 113.55 111.71 3dk4 h SER 30 Ca 0.00 0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.89 3dk4 h SER 30 Cb 0.00 0.39 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3dk4 h SER 30 CO 0.00 -0.33 -0.60 1.23 -1.14 0.00 0.00 176.83 175.99 3dk4 h GLY 31 N -0.35 0.91 0.82 -3.77 0.00 -1.87 -2.45 103.07 96.37 3dk4 h GLY 31 Ca 0.10 -1.13 -0.04 0.00 0.00 0.00 0.00 47.33 46.26 3dk4 h GLY 31 CO -0.34 1.01 -0.02 -1.33 0.00 0.00 0.00 176.54 175.86 3dk4 h GLY 32 N 0.59 0.43 0.95 4.60 0.00 -1.68 -0.97 103.07 106.99 3dk4 h GLY 32 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3dk4 h GLY 32 CO 0.13 0.30 0.21 1.41 0.00 0.00 0.00 176.54 178.59 3dk4 h LEU 33 N 0.14 0.35 -0.53 3.11 3.38 -1.15 -0.96 115.31 119.66 3dk4 h LEU 33 Ca 0.06 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3dk4 h LEU 33 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3dk4 h LEU 33 CO 0.01 0.25 0.11 0.00 0.09 0.00 0.00 178.44 178.91 3dk4 h ALA 34 N 1.14 0.70 -0.28 1.53 0.00 -1.34 -0.75 119.26 120.25 3dk4 h ALA 34 Ca 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dk4 h ALA 34 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3dk4 h ALA 34 CO -0.05 0.41 -0.03 1.03 0.00 0.00 0.00 179.25 180.61 3dk4 h SER 35 N 0.75 0.51 -0.59 0.00 0.87 -1.05 -1.95 113.55 112.09 3dk4 h SER 35 Ca 0.16 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3dk4 h SER 35 Cb 0.36 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3dk4 h SER 35 CO 0.01 0.72 0.24 0.00 -0.53 0.00 0.00 176.83 177.27 3dk4 h ALA 36 N 0.81 0.76 -0.68 6.23 0.00 -1.04 -0.56 119.26 124.78 3dk4 h ALA 36 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3dk4 h ALA 36 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dk4 h ALA 36 CO 0.02 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.75 3dk4 h ARG 37 N 0.81 1.12 -0.33 0.00 3.08 -1.05 -0.73 114.38 117.27 3dk4 h ARG 37 Ca 0.20 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 3dk4 h ARG 37 Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dk4 h ARG 37 CO -0.02 1.02 -0.36 -0.09 -1.07 0.00 0.00 179.97 179.46 3dk4 h ARG 38 N 1.05 0.82 -0.66 0.04 9.65 -1.16 -2.04 114.38 122.07 3dk4 h ARG 38 Ca 0.20 -0.45 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 3dk4 h ARG 38 Cb 0.45 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 3dk4 h ARG 38 CO 0.01 1.08 0.40 0.00 2.80 0.00 0.00 179.97 184.27 3dk4 h ALA 39 N 0.73 0.87 -0.42 2.80 0.00 -0.88 -2.28 119.26 120.07 3dk4 h ALA 39 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dk4 h ALA 39 Cb 0.95 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3dk4 h ALA 39 CO 0.09 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.57 3dk4 h ALA 40 N 1.30 1.36 -0.32 0.00 0.00 -0.99 -1.43 119.26 119.18 3dk4 h ALA 40 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dk4 h ALA 40 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dk4 h ALA 40 CO -0.12 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.28 3dk4 h GLU 41 N 0.62 0.42 -0.03 0.00 4.81 -0.81 -0.86 114.58 118.72 3dk4 h GLU 41 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3dk4 h GLU 41 Cb 0.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3dk4 h GLU 41 CO -0.00 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.85 3dk4 n LEU 42 N -4.48 0.67 0.00 1.64 4.77 -0.64 -4.91 117.00 114.05 3dk4 n LEU 42 Ca 0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3dk4 n LEU 42 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3dk4 n LEU 42 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3dk4 n GLY 43 N 1.01 0.42 3.77 -0.72 0.00 -0.33 -4.96 105.19 104.39 3dk4 n GLY 43 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dk4 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 s ALA 44 N -2.00 3.49 -0.71 4.61 0.00 -0.63 -4.95 121.76 121.57 3dk4 s ALA 44 Ca 0.00 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 3dk4 s ALA 44 Cb 0.00 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3dk4 s ALA 44 CO 0.00 -0.99 1.21 1.03 0.00 0.00 0.00 175.76 177.01 3dk4 s ARG 45 N -2.11 3.21 0.20 0.00 0.52 -1.26 -4.25 118.95 115.26 3dk4 s ARG 45 Ca 0.54 -0.29 0.11 0.00 -0.52 0.00 0.00 55.73 55.57 3dk4 s ARG 45 Cb -0.44 -4.17 -0.04 0.00 0.52 0.00 0.00 34.95 30.81 3dk4 s ARG 45 CO 0.60 -2.04 -0.23 0.00 0.02 0.00 0.00 175.30 173.64 3dk4 s ALA 46 N 5.37 2.53 0.01 2.13 0.00 -1.26 -0.63 121.76 129.91 3dk4 s ALA 46 Ca 0.34 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3dk4 s ALA 46 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3dk4 s ALA 46 CO 0.15 0.41 -0.04 0.00 0.00 0.00 0.00 175.76 176.28 3dk4 s ALA 47 N -1.77 0.31 -0.16 0.00 0.00 -0.64 -1.97 121.76 117.52 3dk4 s ALA 47 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3dk4 s ALA 47 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3dk4 s ALA 47 CO 0.10 0.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.84 3dk4 s VAL 48 N -0.60 3.05 -0.17 0.00 1.01 0.01 -0.94 120.40 122.76 3dk4 s VAL 48 Ca -0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 3dk4 s VAL 48 Cb -0.05 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3dk4 s VAL 48 CO -0.00 0.50 0.27 -0.69 0.00 0.00 0.00 175.10 175.18 3dk4 s VAL 49 N 0.76 5.32 -0.05 2.92 1.01 0.24 -0.64 120.40 129.96 3dk4 s VAL 49 Ca -0.05 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 3dk4 s VAL 49 Cb -0.15 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3dk4 s VAL 49 CO 0.01 0.39 0.08 -0.70 0.00 0.00 0.00 175.10 174.89 3dk4 s GLU 50 N 0.49 -0.02 0.13 2.72 2.56 -0.40 -0.61 118.70 123.57 3dk4 s GLU 50 Ca 0.15 0.36 0.24 0.00 0.00 0.00 0.00 54.97 55.72 3dk4 s GLU 50 Cb -0.13 -0.34 0.28 0.00 2.00 0.00 0.00 34.13 35.94 3dk4 s GLU 50 CO 0.03 -0.26 1.27 0.66 -0.56 0.00 0.00 175.26 176.41 3dk4 h SER 51 N 7.92 0.00 0.00 -1.70 4.64 -1.80 -1.92 113.55 120.70 3dk4 h SER 51 Ca -0.27 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dk4 h SER 51 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3dk4 h SER 51 CO 0.28 0.09 0.00 1.41 -0.87 0.00 0.00 176.83 177.75 3dk4 n HIS 52 N -2.20 0.00 -4.37 4.77 8.25 -1.26 -4.70 115.22 115.70 3dk4 n HIS 52 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 3dk4 n HIS 52 Cb 0.46 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 3dk4 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3dk4 s LYS 53 N 2.89 3.68 0.43 -0.41 1.02 -1.26 -5.05 119.74 121.04 3dk4 s LYS 53 Ca 0.00 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.24 3dk4 s LYS 53 Cb 0.00 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 3dk4 s LYS 53 CO 0.00 0.26 1.21 1.28 -0.92 0.00 0.00 175.35 177.18 3dk4 n LEU 54 N 3.49 3.79 0.00 3.17 4.77 -1.26 -2.24 117.00 128.71 3dk4 n LEU 54 Ca -0.17 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 3dk4 n LEU 54 Cb 0.52 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3dk4 n LEU 54 CO 0.33 -0.86 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 3dk4 n GLY 55 N 0.90 1.79 7.00 -0.72 0.00 0.06 -4.62 105.19 109.61 3dk4 n GLY 55 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3dk4 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk4 n GLY 56 N -1.76 1.01 0.16 -0.02 0.00 -0.95 -2.53 105.19 101.10 3dk4 n GLY 56 Ca 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 3dk4 n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dk4 h THR 57 N 0.00 1.23 -0.04 2.61 2.02 -1.94 -2.05 112.91 114.74 3dk4 h THR 57 Ca 0.00 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.42 3dk4 h THR 57 Cb 0.00 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3dk4 h THR 57 CO 0.00 0.26 -0.25 0.00 0.37 0.00 0.00 175.52 175.90 3dk4 h VAL 59 N -0.36 1.30 0.07 0.00 2.07 -1.49 -1.46 116.25 116.38 3dk4 h VAL 59 Ca 0.07 -1.86 -0.38 0.00 0.82 0.00 0.00 66.70 65.36 3dk4 h VAL 59 Cb 0.47 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3dk4 h VAL 59 CO -0.25 0.59 -2.20 0.59 0.02 0.00 0.00 177.57 176.32 3dk4 n ASN 60 N -4.04 2.07 -1.62 0.57 3.02 -0.77 -4.39 115.26 110.09 3dk4 n ASN 60 Ca -0.07 0.06 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 3dk4 n ASN 60 Cb 0.67 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3dk4 n ASN 60 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3dk4 n VAL 61 N -3.39 0.16 0.00 2.41 0.24 -0.24 -4.84 118.33 112.67 3dk4 n VAL 61 Ca -0.38 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 3dk4 n VAL 61 Cb 1.02 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.35 3dk4 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dk4 n GLY 62 N 0.22 4.49 0.39 7.63 0.00 0.49 -4.78 105.19 113.62 3dk4 n GLY 62 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 3dk4 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 h VAL 64 N -0.01 0.37 0.00 0.00 2.07 -1.54 -0.85 116.25 116.30 3dk4 h VAL 64 Ca 0.30 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3dk4 h VAL 64 Cb 0.56 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3dk4 h VAL 64 CO -0.97 0.07 -0.32 1.55 0.02 0.00 0.00 177.57 177.93 3dk4 h PRO 65 N -0.99 0.00 -0.13 1.57 0.13 -1.74 -1.82 132.00 129.01 3dk4 h PRO 65 Ca -0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3dk4 h PRO 65 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3dk4 h PRO 65 CO 0.09 0.32 0.01 -0.22 -0.23 0.00 0.00 178.00 177.97 3dk4 h LYS 66 N 0.00 0.06 -0.57 0.86 3.11 -1.08 -1.67 116.57 117.27 3dk4 h LYS 66 Ca -0.00 -0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.77 3dk4 h LYS 66 Cb 0.61 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 3dk4 h LYS 66 CO 0.04 0.04 0.11 -0.22 -2.81 0.00 0.00 179.45 176.61 3dk4 h LYS 67 N 0.06 0.90 -0.53 1.90 1.63 -0.45 0.13 116.57 120.21 3dk4 h LYS 67 Ca 0.06 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.67 3dk4 h LYS 67 Cb 0.06 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3dk4 h LYS 67 CO -0.09 0.83 0.33 0.28 -3.45 0.00 0.00 179.45 177.35 3dk4 h VAL 68 N 0.86 1.09 -0.12 2.00 2.07 -1.19 0.09 116.25 121.05 3dk4 h VAL 68 Ca 0.18 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3dk4 h VAL 68 Cb 0.36 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3dk4 h VAL 68 CO 0.01 0.12 -0.37 0.24 0.02 0.00 0.00 177.57 177.58 3dk4 h MET 69 N 0.67 0.26 -0.48 1.57 2.86 -0.59 -1.66 114.93 117.57 3dk4 h MET 69 Ca 0.21 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3dk4 h MET 69 Cb -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3dk4 h MET 69 CO -0.07 0.60 0.16 2.35 1.06 0.00 0.00 176.91 181.00 3dk4 h TRP 70 N 0.22 0.76 -0.69 -0.22 7.01 -0.29 -0.52 115.95 122.22 3dk4 h TRP 70 Ca 0.02 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 60.97 3dk4 h TRP 70 Cb 0.76 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 3dk4 h TRP 70 CO 0.01 0.66 0.46 -0.91 -2.79 0.00 0.00 178.44 175.87 3dk4 h ASN 71 N 0.63 0.77 -0.12 2.65 2.35 -0.74 0.53 115.58 121.66 3dk4 h ASN 71 Ca 0.15 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3dk4 h ASN 71 Cb 0.25 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3dk4 h ASN 71 CO -0.01 0.55 0.05 0.74 -1.65 0.00 0.00 177.43 177.12 3dk4 h THR 72 N 0.91 1.14 -0.42 2.81 2.02 -0.90 -2.23 112.91 116.23 3dk4 h THR 72 Ca 0.26 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3dk4 h THR 72 Cb -0.06 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3dk4 h THR 72 CO -0.06 0.13 0.28 0.00 0.37 0.00 0.00 175.52 176.24 3dk4 h ALA 73 N 0.90 1.79 -0.63 6.16 0.00 -0.46 -0.00 119.26 127.02 3dk4 h ALA 73 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dk4 h ALA 73 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dk4 h ALA 73 CO -0.00 0.16 0.23 0.28 0.00 0.00 0.00 179.25 179.92 3dk4 h VAL 74 N 0.49 1.23 -0.49 0.00 2.07 -0.57 -2.10 116.25 116.87 3dk4 h VAL 74 Ca 0.17 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3dk4 h VAL 74 Cb 0.07 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3dk4 h VAL 74 CO -0.04 0.29 0.33 0.45 0.02 0.00 0.00 177.57 178.62 3dk4 h HIS 75 N 0.92 0.41 -0.10 1.57 3.86 -0.41 -0.01 115.15 121.39 3dk4 h HIS 75 Ca 0.21 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3dk4 h HIS 75 Cb 0.21 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3dk4 h HIS 75 CO 0.02 0.22 -0.11 0.66 0.86 0.00 0.00 177.93 179.57 3dk4 h SER 76 N 0.40 0.14 0.56 2.45 4.64 -1.02 -2.11 113.55 118.62 3dk4 h SER 76 Ca 0.22 -0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 61.23 3dk4 h SER 76 Cb 0.34 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3dk4 h SER 76 CO -0.05 0.28 -1.45 -0.33 -0.87 0.00 0.00 176.83 174.41 3dk4 h GLU 77 N 0.15 0.17 -0.56 4.77 5.08 -0.93 -2.97 114.58 120.29 3dk4 h GLU 77 Ca 0.03 -0.30 0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3dk4 h GLU 77 Cb 0.30 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3dk4 h GLU 77 CO 0.02 1.02 0.07 0.74 -1.00 0.00 0.00 179.01 179.85 3dk4 h PHE 78 N 0.05 0.09 -0.79 4.33 0.05 -1.43 -1.38 116.94 117.86 3dk4 h PHE 78 Ca -0.20 0.04 0.13 0.00 3.82 0.00 0.00 57.97 61.75 3dk4 h PHE 78 Cb 1.97 0.05 -0.09 0.00 2.00 0.00 0.00 35.95 39.88 3dk4 h PHE 78 CO 0.04 -0.07 0.38 1.98 -0.18 0.00 0.00 178.31 180.46 3dk4 h MET 79 N 0.19 0.56 0.00 1.51 4.05 -1.38 -2.32 114.93 117.55 3dk4 h MET 79 Ca 0.29 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.59 3dk4 h MET 79 Cb 0.44 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3dk4 h MET 79 CO -0.42 0.37 -0.40 0.45 0.23 0.00 0.00 176.91 177.15 3dk4 h HIS 80 N 0.58 0.00 -0.10 1.39 3.86 -1.10 -3.05 115.15 116.72 3dk4 h HIS 80 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3dk4 h HIS 80 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3dk4 h HIS 80 CO -0.11 0.40 0.00 -0.25 0.86 0.00 0.00 177.93 178.83 3dk4 n ASP 81 N -3.68 2.01 -0.19 2.45 10.43 -0.91 -4.54 116.55 122.11 3dk4 n ASP 81 Ca -0.01 -1.70 -0.08 0.00 2.57 0.00 0.00 54.79 55.57 3dk4 n ASP 81 Cb 0.49 -0.06 0.02 0.00 1.84 0.00 0.00 41.12 43.41 3dk4 n ASP 81 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 3dk4 h HIS 82 N 2.94 0.88 -0.65 1.24 2.76 -1.34 -2.20 115.15 118.79 3dk4 h HIS 82 Ca 0.00 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 3dk4 h HIS 82 Cb 0.63 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 3dk4 h HIS 82 CO 0.06 0.75 0.16 0.00 -1.30 0.00 0.00 177.93 177.60 3dk4 h ALA 83 N 1.03 1.06 -0.10 5.26 0.00 -1.79 -1.87 119.26 122.85 3dk4 h ALA 83 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dk4 h ALA 83 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dk4 h ALA 83 CO -0.01 0.62 -0.04 -0.44 0.00 0.00 0.00 179.25 179.38 3dk4 h ASP 84 N 0.97 0.12 -0.33 0.00 3.45 -1.70 -1.69 116.42 117.24 3dk4 h ASP 84 Ca 0.21 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3dk4 h ASP 84 Cb 0.34 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3dk4 h ASP 84 CO 0.00 0.19 0.00 -1.22 -1.57 0.00 0.00 179.24 176.64 3dk4 n TYR 85 N -4.41 0.50 -0.04 4.55 4.02 -0.90 -4.89 117.16 116.00 3dk4 n TYR 85 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 3dk4 n TYR 85 Cb 0.17 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3dk4 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dk4 n GLY 86 N 0.95 0.78 3.87 2.72 0.00 -0.63 -5.08 105.19 107.80 3dk4 n GLY 86 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3dk4 n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dk4 s PHE 87 N -2.03 3.24 0.34 1.61 0.08 -0.75 -5.00 117.98 115.46 3dk4 s PHE 87 Ca 0.00 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 3dk4 s PHE 87 Cb 0.00 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 40.86 3dk4 s PHE 87 CO 0.00 0.50 1.53 -0.35 -0.10 0.00 0.00 175.22 176.80 3dk4 n PRO 88 N -1.14 2.66 -0.87 0.24 -0.04 -1.26 -3.44 135.00 131.16 3dk4 n PRO 88 Ca -0.08 0.94 -0.29 0.00 -0.04 0.00 0.00 63.50 64.03 3dk4 n PRO 88 Cb 0.57 -2.69 0.23 0.00 -0.04 0.00 0.00 33.50 31.58 3dk4 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dk4 s SER 89 N 0.16 1.07 0.05 3.54 0.15 -1.26 -4.60 113.70 112.80 3dk4 s SER 89 Ca 0.58 1.03 -0.28 0.00 0.70 0.00 0.00 55.95 57.98 3dk4 s SER 89 Cb -0.49 -1.56 0.09 0.00 -1.71 0.00 0.00 66.02 62.36 3dk4 s SER 89 CO 0.57 -4.08 1.06 0.00 1.20 0.00 0.00 173.24 171.99 3dk4 n GLU 91 N -0.41 0.00 -2.88 0.00 2.13 -1.26 -4.70 120.64 113.52 3dk4 n GLU 91 Ca -0.07 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.57 3dk4 n GLU 91 Cb 0.61 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.34 3dk4 n GLU 91 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3dk4 s GLY 92 N 0.00 1.90 -0.34 8.31 0.00 -1.26 -5.03 107.32 110.90 3dk4 s GLY 92 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 3dk4 s GLY 92 CO 0.00 -1.34 1.13 0.54 0.00 0.00 0.00 173.10 173.43 3dk4 s LYS 93 N -4.51 3.97 0.47 2.90 1.02 -1.26 -5.00 119.74 117.33 3dk4 s LYS 93 Ca 0.56 1.02 -0.22 0.00 0.02 0.00 0.00 55.97 57.34 3dk4 s LYS 93 Cb -0.10 -3.80 -0.09 0.00 -0.52 0.00 0.00 37.83 33.32 3dk4 s LYS 93 CO 0.35 -1.03 0.93 0.34 -0.92 0.00 0.00 175.35 175.02 3dk4 n PHE 94 N 7.20 0.84 -3.98 3.18 7.35 -1.26 -5.00 117.46 125.80 3dk4 n PHE 94 Ca 0.13 0.53 -0.31 0.00 -0.76 0.00 0.00 57.45 57.04 3dk4 n PHE 94 Cb 0.47 -2.17 -0.15 0.00 0.35 0.00 0.00 39.48 37.99 3dk4 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3dk4 s ASN 95 N -0.88 4.53 0.27 -2.13 3.84 -1.26 -4.99 114.94 114.32 3dk4 s ASN 95 Ca 0.66 -2.55 -0.00 0.00 0.21 0.00 0.00 52.86 51.18 3dk4 s ASN 95 Cb -0.52 -1.61 0.60 0.00 -0.55 0.00 0.00 41.25 39.17 3dk4 s ASN 95 CO 0.55 -0.31 1.70 -0.25 -2.79 0.00 0.00 177.10 176.00 3dk4 h TRP 96 N 7.09 0.53 -0.39 0.43 2.91 -1.94 -1.85 115.95 122.72 3dk4 h TRP 96 Ca -0.06 0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.03 3dk4 h TRP 96 Cb 0.96 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 3dk4 h TRP 96 CO 0.49 -0.03 0.26 0.00 -1.03 0.00 0.00 178.44 178.13 3dk4 h ARG 97 N 0.38 0.39 0.31 2.65 3.08 -1.95 -0.44 114.38 118.81 3dk4 h ARG 97 Ca 0.49 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 3dk4 h ARG 97 Cb 0.88 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3dk4 h ARG 97 CO -0.50 0.26 -0.18 0.28 -1.07 0.00 0.00 179.97 178.75 3dk4 h VAL 98 N 0.40 0.62 -0.01 2.04 2.07 -1.73 -1.69 116.25 117.95 3dk4 h VAL 98 Ca 0.16 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.49 3dk4 h VAL 98 Cb 0.14 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3dk4 h VAL 98 CO -0.04 0.00 -0.85 -0.29 0.02 0.00 0.00 177.57 176.42 3dk4 h ILE 99 N -0.47 1.48 -0.39 4.57 6.09 -1.57 -2.89 117.51 124.32 3dk4 h ILE 99 Ca -0.03 -2.53 0.06 0.00 -1.37 0.00 0.00 64.86 60.98 3dk4 h ILE 99 Cb 0.38 2.41 -0.05 0.00 0.47 0.00 0.00 36.82 40.03 3dk4 h ILE 99 CO 0.04 0.74 0.09 0.50 -3.07 0.00 0.00 178.15 176.46 3dk4 h LYS 100 N 0.12 0.22 -0.49 2.19 3.64 -0.91 0.79 116.57 122.14 3dk4 h LYS 100 Ca -0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3dk4 h LYS 100 Cb 1.46 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3dk4 h LYS 100 CO 0.13 0.15 0.28 1.49 -2.27 0.00 0.00 179.45 179.23 3dk4 h GLU 101 N 0.23 0.68 -0.57 1.90 4.22 -1.25 -0.39 114.58 119.40 3dk4 h GLU 101 Ca 0.19 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.47 3dk4 h GLU 101 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dk4 h GLU 101 CO -0.23 0.52 0.03 0.87 -2.18 0.00 0.00 179.01 178.02 3dk4 h LYS 102 N 0.65 0.95 -0.28 1.92 1.57 -1.23 -1.48 116.57 118.68 3dk4 h LYS 102 Ca 0.17 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3dk4 h LYS 102 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3dk4 h LYS 102 CO -0.03 0.92 0.11 -0.09 -0.57 0.00 0.00 179.45 179.79 3dk4 h ARG 103 N 0.89 0.42 -0.84 3.15 2.43 -0.63 -1.64 114.38 118.15 3dk4 h ARG 103 Ca 0.17 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3dk4 h ARG 103 Cb 0.47 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3dk4 h ARG 103 CO 0.02 0.44 0.53 -0.44 -1.51 0.00 0.00 179.97 179.00 3dk4 h ASP 104 N 0.30 0.99 -0.54 -3.80 3.32 -0.91 -1.17 116.42 114.61 3dk4 h ASP 104 Ca 0.09 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3dk4 h ASP 104 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3dk4 h ASP 104 CO -0.01 0.75 0.07 0.00 -1.72 0.00 0.00 179.24 178.33 3dk4 h ALA 105 N 1.43 0.72 -0.58 3.45 0.00 -1.06 -1.27 119.26 121.95 3dk4 h ALA 105 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dk4 h ALA 105 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3dk4 h ALA 105 CO -0.06 0.48 0.35 -0.92 0.00 0.00 0.00 179.25 179.10 3dk4 h TYR 106 N 0.80 0.76 -0.61 0.00 3.20 -0.82 -0.36 116.97 119.94 3dk4 h TYR 106 Ca 0.16 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3dk4 h TYR 106 Cb 0.44 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 3dk4 h TYR 106 CO 0.03 0.52 0.35 0.28 -1.64 0.00 0.00 178.16 177.71 3dk4 h VAL 107 N 0.78 1.02 -0.90 1.81 2.07 -0.97 -1.17 116.25 118.89 3dk4 h VAL 107 Ca 0.21 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3dk4 h VAL 107 Cb -0.02 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 3dk4 h VAL 107 CO -0.04 0.12 0.54 0.28 0.02 0.00 0.00 177.57 178.50 3dk4 h SER 108 N 0.68 1.09 -0.73 0.57 0.02 -0.73 0.13 113.55 114.58 3dk4 h SER 108 Ca 0.26 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3dk4 h SER 108 Cb 0.10 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 3dk4 h SER 108 CO -0.14 0.84 0.46 0.03 -1.14 0.00 0.00 176.83 176.88 3dk4 h ARG 109 N 1.25 0.87 -0.38 3.45 3.08 -0.40 -2.29 114.38 119.96 3dk4 h ARG 109 Ca 0.32 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.19 3dk4 h ARG 109 Cb -0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3dk4 h ARG 109 CO -0.06 0.58 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.04 3dk4 h LEU 110 N 0.90 0.86 -0.71 3.04 3.38 -0.56 -1.78 115.31 120.44 3dk4 h LEU 110 Ca 0.29 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dk4 h LEU 110 Cb 0.02 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3dk4 h LEU 110 CO -0.11 1.10 0.38 0.78 0.09 0.00 0.00 178.44 180.68 3dk4 h ASN 111 N 0.70 0.54 -0.37 -0.43 -0.26 -0.69 -0.71 115.58 114.36 3dk4 h ASN 111 Ca 0.08 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 3dk4 h ASN 111 Cb 0.85 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 3dk4 h ASN 111 CO 0.07 0.33 -0.17 0.00 -1.06 0.00 0.00 177.43 176.60 3dk4 h ALA 112 N 1.40 0.87 -0.33 -0.83 0.00 -1.15 -1.87 119.26 117.35 3dk4 h ALA 112 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dk4 h ALA 112 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dk4 h ALA 112 CO -0.22 0.64 0.14 0.82 0.00 0.00 0.00 179.25 180.62 3dk4 h ILE 113 N 0.75 1.18 -0.07 0.00 2.04 -0.85 -1.90 117.51 118.65 3dk4 h ILE 113 Ca 0.11 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.29 3dk4 h ILE 113 Cb 0.69 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3dk4 h ILE 113 CO 0.05 0.19 -0.60 1.88 0.00 0.00 0.00 178.15 179.68 3dk4 h TYR 114 N 0.38 0.31 -0.37 1.37 -1.99 -1.01 0.91 116.97 116.57 3dk4 h TYR 114 Ca 0.11 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.75 3dk4 h TYR 114 Cb 0.17 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 3dk4 h TYR 114 CO -0.01 0.78 0.18 0.37 -0.00 0.00 0.00 178.16 179.49 3dk4 h GLN 115 N 0.18 0.37 -0.57 4.88 4.15 -1.24 -2.43 115.11 120.45 3dk4 h GLN 115 Ca -0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 3dk4 h GLN 115 Cb 1.10 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 3dk4 h GLN 115 CO 0.09 0.24 0.17 -0.97 -1.93 0.00 0.00 178.83 176.43 3dk4 h ASN 116 N 0.38 0.80 -0.96 -0.69 -0.00 -0.89 -1.35 115.58 112.87 3dk4 h ASN 116 Ca 0.16 -0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.34 3dk4 h ASN 116 Cb 0.07 -0.21 -0.05 0.00 -0.00 0.00 0.00 38.32 38.13 3dk4 h ASN 116 CO -0.11 0.76 0.63 0.78 -0.00 0.00 0.00 177.43 179.49 3dk4 h ASN 117 N 0.83 1.09 -0.12 1.15 -0.26 -0.52 0.10 115.58 117.86 3dk4 h ASN 117 Ca 0.19 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 3dk4 h ASN 117 Cb 0.26 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 3dk4 h ASN 117 CO -0.01 0.79 -0.07 -0.07 -1.06 0.00 0.00 177.43 177.01 3dk4 h LEU 118 N 1.29 0.27 -0.58 1.61 3.38 -1.11 -2.87 115.31 117.30 3dk4 h LEU 118 Ca 0.35 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dk4 h LEU 118 Cb -0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3dk4 h LEU 118 CO -0.08 0.65 0.38 0.74 0.09 0.00 0.00 178.44 180.22 3dk4 h THR 119 N -0.11 1.13 0.00 0.22 2.02 -0.91 -1.03 112.91 114.24 3dk4 h THR 119 Ca 0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3dk4 h THR 119 Cb 0.55 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3dk4 h THR 119 CO 0.02 0.14 -0.11 0.11 0.37 0.00 0.00 175.52 176.05 3dk4 h LYS 120 N 0.77 0.00 -0.08 6.66 1.57 -0.87 -1.16 116.57 123.46 3dk4 h LYS 120 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3dk4 h LYS 120 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dk4 h LYS 120 CO -0.06 0.11 0.00 0.43 -0.57 0.00 0.00 179.45 179.37 3dk4 n SER 121 N -4.17 1.61 -2.75 0.86 7.64 -0.86 -4.93 113.62 111.02 3dk4 n SER 121 Ca -0.03 -1.60 -0.19 0.00 1.01 0.00 0.00 58.87 58.06 3dk4 n SER 121 Cb 0.19 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 3dk4 n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3dk4 n HIS 122 N 0.27 -1.93 -3.44 1.43 8.25 -0.44 -4.95 115.22 114.41 3dk4 n HIS 122 Ca 0.18 0.59 -0.38 0.00 -0.26 0.00 0.00 57.72 57.84 3dk4 n HIS 122 Cb 0.35 -4.11 -0.09 0.00 1.12 0.00 0.00 29.99 27.26 3dk4 n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dk4 s ILE 123 N -3.15 5.22 0.32 1.59 1.01 -0.45 -4.70 121.20 121.04 3dk4 s ILE 123 Ca 0.34 0.51 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 3dk4 s ILE 123 Cb -0.15 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 3dk4 s ILE 123 CO 0.42 0.21 1.33 -0.70 0.00 0.00 0.00 174.94 176.20 3dk4 s GLU 124 N 1.77 4.34 -0.28 2.79 2.12 -0.83 -4.33 118.70 124.29 3dk4 s GLU 124 Ca 0.14 2.24 -0.08 0.00 0.36 0.00 0.00 54.97 57.63 3dk4 s GLU 124 Cb -0.15 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3dk4 s GLU 124 CO 0.09 -0.23 0.10 0.42 -0.54 0.00 0.00 175.26 175.10 3dk4 s ILE 125 N -1.00 4.35 -0.34 -3.70 1.01 -1.26 -0.81 121.20 119.45 3dk4 s ILE 125 Ca 0.50 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 3dk4 s ILE 125 Cb -0.40 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3dk4 s ILE 125 CO 0.52 0.21 0.18 -0.63 0.00 0.00 0.00 174.94 175.23 3dk4 s ILE 126 N 1.60 4.67 -0.24 2.92 1.01 0.19 -4.98 121.20 126.37 3dk4 s ILE 126 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3dk4 s ILE 126 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3dk4 s ILE 126 CO 0.04 -0.07 0.52 -0.13 0.00 0.00 0.00 174.94 175.30 3dk4 s ARG 127 N 1.60 4.12 0.00 2.79 1.81 -1.26 -1.27 118.95 126.74 3dk4 s ARG 127 Ca 0.04 0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.41 3dk4 s ARG 127 Cb -0.18 -3.61 0.00 0.00 -0.45 0.00 0.00 34.95 30.71 3dk4 s ARG 127 CO 0.07 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 174.83 3dk4 n GLY 128 N 4.18 -0.55 3.62 -3.53 0.00 -0.72 -4.89 105.19 103.30 3dk4 n GLY 128 Ca -0.04 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 3dk4 n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dk4 s HIS 129 N -1.43 3.28 0.18 1.61 2.46 -1.26 -2.60 115.29 117.53 3dk4 s HIS 129 Ca 0.00 0.66 -0.18 0.00 0.47 0.00 0.00 55.06 56.01 3dk4 s HIS 129 Cb 0.00 -2.71 -0.08 0.00 -0.13 0.00 0.00 32.58 29.66 3dk4 s HIS 129 CO 0.00 -0.25 0.65 0.00 -2.47 0.00 0.00 174.74 172.67 3dk4 s ALA 130 N 2.20 3.49 0.00 1.58 0.00 -1.26 -4.36 121.76 123.42 3dk4 s ALA 130 Ca 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 3dk4 s ALA 130 Cb -0.16 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 3dk4 s ALA 130 CO 0.09 0.38 0.05 0.00 0.00 0.00 0.00 175.76 176.28 3dk4 s ALA 131 N -1.45 -0.11 0.57 0.00 0.00 -0.91 -4.67 121.76 115.19 3dk4 s ALA 131 Ca 0.40 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 3dk4 s ALA 131 Cb -0.17 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3dk4 s ALA 131 CO 0.20 -0.15 1.16 -0.06 0.00 0.00 0.00 175.76 176.91 3dk4 s PHE 132 N -1.14 2.56 0.46 0.00 0.40 -0.22 -0.86 117.98 119.19 3dk4 s PHE 132 Ca -0.12 1.53 0.08 0.00 -0.60 0.00 0.00 56.93 57.82 3dk4 s PHE 132 Cb -0.07 -3.35 0.02 0.00 0.51 0.00 0.00 43.02 40.13 3dk4 s PHE 132 CO 0.00 -1.81 0.58 0.95 0.70 0.00 0.00 175.22 175.64 3dk4 s THR 133 N -1.73 2.70 -1.95 0.64 -4.23 -0.32 -4.75 115.64 105.99 3dk4 s THR 133 Ca 0.74 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 3dk4 s THR 133 Cb -0.26 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 70.97 3dk4 s THR 133 CO 0.30 0.00 1.12 -1.20 -0.54 0.00 0.00 174.62 174.30 3dk4 n SER 134 N -1.88 1.06 -4.73 3.99 7.64 -1.26 -4.62 113.62 113.82 3dk4 n SER 134 Ca 0.09 -2.01 -0.42 0.00 1.01 0.00 0.00 58.87 57.54 3dk4 n SER 134 Cb 0.60 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3dk4 n SER 134 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3dk4 s ASP 135 N -0.96 6.50 0.29 6.43 1.11 -1.26 -4.88 116.67 123.90 3dk4 s ASP 135 Ca 0.13 2.75 0.01 0.00 0.18 0.00 0.00 52.55 55.62 3dk4 s ASP 135 Cb 0.07 -2.60 0.54 0.00 1.07 0.00 0.00 42.92 41.99 3dk4 s ASP 135 CO 0.08 -0.87 1.87 -0.65 1.18 0.00 0.00 175.17 176.79 3dk4 h PRO 136 N 6.32 0.99 -6.21 8.23 0.11 -1.95 -3.36 132.00 136.13 3dk4 h PRO 136 Ca -0.44 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.05 3dk4 h PRO 136 Cb 1.21 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3dk4 h PRO 136 CO 0.90 0.65 0.93 0.21 -0.21 0.00 0.00 178.00 180.48 3dk4 s LYS 137 N -5.93 4.12 -0.00 1.05 2.20 -1.26 -4.94 119.74 114.98 3dk4 s LYS 137 Ca -0.12 1.52 -0.36 0.00 -0.36 0.00 0.00 55.97 56.66 3dk4 s LYS 137 Cb 0.21 -3.80 -0.14 0.00 -1.51 0.00 0.00 37.83 32.58 3dk4 s LYS 137 CO 0.80 -0.85 1.63 -2.30 -0.36 0.00 0.00 175.35 174.28 3dk4 n PRO 138 N 6.85 1.73 -3.81 4.03 -0.02 -1.26 -4.94 135.00 137.59 3dk4 n PRO 138 Ca 0.14 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3dk4 n PRO 138 Cb 0.45 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 3dk4 n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dk4 s THR 139 N 2.12 0.01 0.26 3.45 2.01 -1.26 -4.17 115.64 118.06 3dk4 s THR 139 Ca 0.87 -0.12 0.11 0.00 0.31 0.00 0.00 61.69 62.86 3dk4 s THR 139 Cb -0.82 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 3dk4 s THR 139 CO 0.49 -0.07 -0.10 0.27 -0.69 0.00 0.00 174.62 174.52 3dk4 s ILE 140 N -0.17 3.00 -0.04 1.82 -4.36 -0.29 -1.18 121.20 119.98 3dk4 s ILE 140 Ca -0.03 -2.08 0.06 0.00 -0.26 0.00 0.00 60.65 58.34 3dk4 s ILE 140 Cb -0.03 -2.57 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 3dk4 s ILE 140 CO 0.01 -0.34 -0.23 -0.70 0.24 0.00 0.00 174.94 173.91 3dk4 s GLU 141 N -3.47 2.13 -0.09 0.37 2.12 -0.04 -0.95 118.70 118.77 3dk4 s GLU 141 Ca 0.30 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 3dk4 s GLU 141 Cb -0.06 -1.93 0.03 0.00 0.26 0.00 0.00 34.13 32.43 3dk4 s GLU 141 CO 0.17 0.43 0.01 0.08 -0.54 0.00 0.00 175.26 175.41 3dk4 s VAL 142 N -0.34 0.39 -1.52 3.70 1.01 -0.12 -2.14 120.40 121.38 3dk4 s VAL 142 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 3dk4 s VAL 142 Cb -0.11 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.74 3dk4 s VAL 142 CO 0.01 0.19 0.74 -1.20 0.00 0.00 0.00 175.10 174.84 3dk4 n SER 143 N 5.14 -2.69 -0.14 3.32 7.64 -1.26 -1.58 113.62 124.05 3dk4 n SER 143 Ca -0.07 -0.91 -0.02 0.00 1.01 0.00 0.00 58.87 58.87 3dk4 n SER 143 Cb 0.50 -3.35 -0.01 0.00 -1.01 0.00 0.00 64.21 60.33 3dk4 n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dk4 n GLY 144 N -1.67 0.45 3.51 0.23 0.00 -1.26 -5.03 105.19 101.41 3dk4 n GLY 144 Ca -0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3dk4 n GLY 144 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dk4 s LYS 145 N -1.24 2.34 -0.00 1.61 2.20 -0.61 -5.08 119.74 118.96 3dk4 s LYS 145 Ca 0.00 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 3dk4 s LYS 145 Cb 0.00 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 3dk4 s LYS 145 CO 0.00 0.58 0.05 0.15 -0.36 0.00 0.00 175.35 175.77 3dk4 s LYS 146 N -1.23 2.96 0.01 4.03 1.02 -1.26 -0.95 119.74 124.31 3dk4 s LYS 146 Ca 0.15 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3dk4 s LYS 146 Cb -0.11 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 3dk4 s LYS 146 CO 0.05 0.64 -0.01 0.71 -0.92 0.00 0.00 175.35 175.81 3dk4 s TYR 147 N -1.15 0.13 0.08 3.18 2.02 -0.13 -2.38 117.35 119.09 3dk4 s TYR 147 Ca 0.22 -0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3dk4 s TYR 147 Cb -0.12 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 3dk4 s TYR 147 CO 0.12 -0.07 0.02 -0.08 -1.57 0.00 0.00 175.55 173.98 3dk4 s THR 148 N -0.57 0.18 0.01 -0.71 -1.32 0.02 -1.13 115.64 112.12 3dk4 s THR 148 Ca -0.06 -1.74 -0.28 0.00 -1.21 0.00 0.00 61.69 58.40 3dk4 s THR 148 Cb -0.04 -1.62 0.09 0.00 -1.51 0.00 0.00 72.50 69.41 3dk4 s THR 148 CO -0.00 -0.82 0.76 0.00 -2.21 0.00 0.00 174.62 172.35 3dk4 s ALA 149 N -3.94 -1.75 -0.89 11.08 0.00 -1.26 -1.30 121.76 123.69 3dk4 s ALA 149 Ca 0.11 1.01 0.18 0.00 0.00 0.00 0.00 51.96 53.25 3dk4 s ALA 149 Cb 0.07 0.29 0.74 0.00 0.00 0.00 0.00 23.12 24.23 3dk4 s ALA 149 CO -0.07 -0.58 1.56 -0.35 0.00 0.00 0.00 175.76 176.32 3dk4 n PRO 150 N 0.15 0.04 -3.71 0.00 -0.04 -1.26 -4.57 135.00 125.62 3dk4 n PRO 150 Ca -0.14 0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 3dk4 n PRO 150 Cb 0.61 -1.58 -0.18 0.00 -0.04 0.00 0.00 33.50 32.32 3dk4 n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dk4 s HIS 151 N -3.06 0.43 -0.15 0.54 3.76 -1.25 -4.46 115.29 111.10 3dk4 s HIS 151 Ca 0.07 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3dk4 s HIS 151 Cb 0.10 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 33.11 3dk4 s HIS 151 CO 0.32 -0.34 -0.14 0.42 -0.85 0.00 0.00 174.74 174.16 3dk4 s ILE 152 N 2.05 1.53 -0.24 0.60 1.01 0.03 -1.62 121.20 124.56 3dk4 s ILE 152 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 3dk4 s ILE 152 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3dk4 s ILE 152 CO -0.05 0.44 0.15 -0.22 0.00 0.00 0.00 174.94 175.26 3dk4 s LEU 153 N 1.50 4.08 -0.35 2.97 2.96 -0.06 -1.12 118.68 128.66 3dk4 s LEU 153 Ca 0.05 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.86 3dk4 s LEU 153 Cb -0.13 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3dk4 s LEU 153 CO -0.10 0.07 0.59 -0.63 -1.32 0.00 0.00 176.35 174.96 3dk4 s ILE 154 N 1.03 4.93 -0.35 6.68 1.01 0.18 -0.45 121.20 134.24 3dk4 s ILE 154 Ca 0.07 0.49 0.15 0.00 0.00 0.00 0.00 60.65 61.37 3dk4 s ILE 154 Cb -0.13 -4.04 0.44 0.00 0.01 0.00 0.00 42.46 38.74 3dk4 s ILE 154 CO 0.04 -0.28 0.95 0.00 0.00 0.00 0.00 174.94 175.65 3dk4 n ALA 155 N 5.94 3.51 1.48 9.38 0.00 0.26 -2.28 120.51 138.80 3dk4 n ALA 155 Ca -0.02 -3.35 0.14 0.00 0.00 0.00 0.00 53.44 50.21 3dk4 n ALA 155 Cb 0.49 -0.88 0.51 0.00 0.00 0.00 0.00 19.45 19.57 3dk4 n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dk4 n THR 156 N -0.08 0.00 -4.55 0.00 -2.24 -1.21 -4.32 114.28 101.88 3dk4 n THR 156 Ca 0.15 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3dk4 n THR 156 Cb 0.77 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3dk4 n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dk4 n GLY 157 N 1.19 0.01 0.00 3.38 0.00 -1.26 -4.56 105.19 103.94 3dk4 n GLY 157 Ca 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3dk4 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk4 n GLY 158 N 0.00 4.54 3.34 -0.02 0.00 -1.26 -0.70 105.19 111.09 3dk4 n GLY 158 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 3dk4 n GLY 158 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dk4 s MET 159 N -0.61 1.11 0.52 1.61 0.23 0.26 -4.74 119.30 117.67 3dk4 s MET 159 Ca 0.00 -0.72 -0.21 0.00 -1.03 0.00 0.00 55.69 53.73 3dk4 s MET 159 Cb 0.00 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.72 3dk4 s MET 159 CO 0.00 -0.44 1.22 -2.14 -2.03 0.00 0.00 175.02 171.63 3dk4 s PRO 160 N -3.81 3.40 0.10 3.16 0.02 -1.26 -0.60 135.00 136.00 3dk4 s PRO 160 Ca 0.04 1.88 -0.24 0.00 0.02 0.00 0.00 61.00 62.69 3dk4 s PRO 160 Cb 0.02 -2.22 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 3dk4 s PRO 160 CO -0.11 -0.88 0.74 0.45 -0.33 0.00 0.00 177.00 176.87 3dk4 s SER 161 N -1.36 7.26 0.04 2.53 0.15 -0.52 -4.66 113.70 117.14 3dk4 s SER 161 Ca 0.70 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.91 3dk4 s SER 161 Cb -0.31 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 3dk4 s SER 161 CO 0.37 0.13 -0.19 -0.89 1.20 0.00 0.00 173.24 173.86 3dk4 s THR 162 N -0.63 1.49 0.64 6.45 2.01 -1.26 -4.59 115.64 119.75 3dk4 s THR 162 Ca 0.36 -1.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 3dk4 s THR 162 Cb -0.21 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 3dk4 s THR 162 CO 0.24 0.14 1.27 -2.65 -0.69 0.00 0.00 174.62 172.93 3dk4 n PRO 163 N 1.87 1.11 -2.40 4.92 -0.02 -1.26 -4.99 135.00 134.24 3dk4 n PRO 163 Ca -0.17 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.35 3dk4 n PRO 163 Cb 0.54 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3dk4 n PRO 163 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3dk4 s HIS 164 N -1.39 3.31 0.48 6.00 3.76 -1.26 -4.74 115.29 121.45 3dk4 s HIS 164 Ca 0.82 1.62 0.17 0.00 -0.15 0.00 0.00 55.06 57.52 3dk4 s HIS 164 Cb -0.38 -3.33 1.19 0.00 1.11 0.00 0.00 32.58 31.16 3dk4 s HIS 164 CO 0.41 -0.93 2.04 1.49 -0.85 0.00 0.00 174.74 176.90 3dk4 h GLU 165 N 3.17 0.19 0.00 1.40 4.57 -1.94 -0.02 114.58 121.94 3dk4 h GLU 165 Ca -0.48 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 3dk4 h GLU 165 Cb 1.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 3dk4 h GLU 165 CO 0.65 0.12 -0.19 0.66 -1.18 0.00 0.00 179.01 179.07 3dk4 h SER 166 N 0.19 0.00 0.04 1.04 4.64 -2.00 -2.76 113.55 114.70 3dk4 h SER 166 Ca 0.18 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.24 3dk4 h SER 166 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3dk4 h SER 166 CO -0.03 0.19 -1.40 -0.61 -0.87 0.00 0.00 176.83 174.11 3dk4 h GLN 167 N 0.00 0.09 -3.13 4.77 4.15 -1.46 -3.44 115.11 116.09 3dk4 h GLN 167 Ca -0.00 -0.15 -0.61 0.00 0.77 0.00 0.00 58.65 58.66 3dk4 h GLN 167 Cb 0.39 0.06 -0.40 0.00 0.21 0.00 0.00 27.48 27.74 3dk4 h GLN 167 CO 0.03 1.07 -0.74 0.42 -1.93 0.00 0.00 178.83 177.68 3dk4 s ILE 168 N -2.42 1.32 0.29 2.39 1.01 -0.25 -4.95 121.20 118.59 3dk4 s ILE 168 Ca -0.26 -2.34 -0.30 0.00 0.00 0.00 0.00 60.65 57.75 3dk4 s ILE 168 Cb 0.06 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.47 3dk4 s ILE 168 CO 0.66 -0.85 1.61 -2.16 0.00 0.00 0.00 174.94 174.19 3dk4 s PRO 169 N 0.59 4.12 0.00 2.79 0.04 -1.05 -1.42 135.00 140.08 3dk4 s PRO 169 Ca 0.16 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3dk4 s PRO 169 Cb -0.23 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3dk4 s PRO 169 CO -0.04 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3dk4 n GLY 170 N 2.29 0.78 0.40 0.56 0.00 -1.26 -1.14 105.19 106.81 3dk4 n GLY 170 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.32 3dk4 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 h ALA 171 N 0.00 2.50 0.00 4.61 0.00 -1.52 -0.46 119.26 124.38 3dk4 h ALA 171 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dk4 h ALA 171 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dk4 h ALA 171 CO 0.00 -0.68 0.00 -1.13 0.00 0.00 0.00 179.25 177.44 3dk4 n SER 172 N -4.38 0.18 0.26 0.00 3.41 -1.26 -1.34 113.62 110.49 3dk4 n SER 172 Ca 0.12 0.55 0.16 0.00 -0.26 0.00 0.00 58.87 59.43 3dk4 n SER 172 Cb 0.66 -0.58 0.53 0.00 -0.26 0.00 0.00 64.21 64.55 3dk4 n SER 172 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dk4 h LEU 173 N 0.00 0.00-10.56 1.04 3.38 -1.47 -3.44 115.31 104.26 3dk4 h LEU 173 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3dk4 h LEU 173 Cb 0.27 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.12 3dk4 h LEU 173 CO 0.00 0.00 0.39 -0.83 0.09 0.00 0.00 178.44 178.09 3dk4 s GLY 174 N -4.17 1.60 0.45 0.83 0.00 -0.45 -4.82 107.32 100.77 3dk4 s GLY 174 Ca 0.03 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.26 3dk4 s GLY 174 CO 0.58 -0.08 0.16 -0.26 0.00 0.00 0.00 173.10 173.50 3dk4 s ILE 175 N -3.47 1.94 0.08 0.90 -4.36 0.26 -4.98 121.20 111.57 3dk4 s ILE 175 Ca 0.61 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3dk4 s ILE 175 Cb -0.12 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.89 3dk4 s ILE 175 CO 0.50 0.00 0.01 0.35 0.24 0.00 0.00 174.94 176.04 3dk4 n THR 176 N -1.30 0.00 0.09 8.37 -2.24 -1.26 -0.52 114.28 117.43 3dk4 n THR 176 Ca -0.05 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.51 3dk4 n THR 176 Cb 0.65 0.02 0.64 0.00 -2.10 0.00 0.00 70.33 69.54 3dk4 n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dk4 h SER 177 N 0.18 0.06 -0.27 3.42 4.64 -1.97 -0.79 113.55 118.82 3dk4 h SER 177 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3dk4 h SER 177 Cb 0.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3dk4 h SER 177 CO 0.10 0.04 0.17 0.44 -0.87 0.00 0.00 176.83 176.71 3dk4 h ASP 178 N 0.07 0.33 0.56 4.97 3.32 -1.95 -2.50 116.42 121.21 3dk4 h ASP 178 Ca 0.15 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3dk4 h ASP 178 Cb 0.53 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3dk4 h ASP 178 CO -0.01 0.28 -0.38 1.23 -1.72 0.00 0.00 179.24 178.64 3dk4 h GLY 179 N 0.35 0.00 0.42 2.75 0.00 -1.63 -2.77 103.07 102.19 3dk4 h GLY 179 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.52 3dk4 h GLY 179 CO -0.02 0.00 0.24 -2.75 0.00 0.00 0.00 176.54 174.01 3dk4 h PHE 180 N 0.00 0.41 0.00 5.60 3.04 -0.75 -1.11 116.94 124.14 3dk4 h PHE 180 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3dk4 h PHE 180 Cb 0.76 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3dk4 h PHE 180 CO 0.00 0.12 0.00 1.19 -2.02 0.00 0.00 178.31 177.60 3dk4 n PHE 181 N -4.98 0.00 0.85 0.41 3.72 -1.05 -2.33 117.46 114.09 3dk4 n PHE 181 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 3dk4 n PHE 181 Cb 0.26 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 3dk4 n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3dk4 n GLN 182 N -1.22 0.10 -1.68 -1.08 1.13 -0.46 -4.99 117.38 109.17 3dk4 n GLN 182 Ca 0.14 -0.02 -0.45 0.00 -1.94 0.00 0.00 57.00 54.73 3dk4 n GLN 182 Cb 0.17 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 3dk4 n GLN 182 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3dk4 n LEU 183 N -1.63 3.32 -0.22 1.08 4.77 -0.93 -4.90 117.00 118.48 3dk4 n LEU 183 Ca 0.03 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.21 3dk4 n LEU 183 Cb 0.37 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 39.96 3dk4 n LEU 183 CO 0.42 -0.29 0.14 -0.62 -1.33 0.00 0.00 177.39 175.71 3dk4 n GLU 184 N 2.70 1.60 -3.93 3.23 1.02 -1.26 -4.98 120.64 119.03 3dk4 n GLU 184 Ca 0.14 -0.48 -0.09 0.00 -0.02 0.00 0.00 57.16 56.70 3dk4 n GLU 184 Cb 0.31 -1.29 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 3dk4 n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3dk4 s GLU 185 N -2.23 0.59 0.01 3.49 0.41 -1.26 -4.24 118.70 115.46 3dk4 s GLU 185 Ca 0.11 -0.76 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 3dk4 s GLU 185 Cb 0.13 0.23 -0.06 0.00 -1.78 0.00 0.00 34.13 32.66 3dk4 s GLU 185 CO 0.54 -0.15 1.40 -1.17 -0.49 0.00 0.00 175.26 175.39 3dk4 s LEU 186 N -2.15 4.32 0.31 1.80 2.96 -1.26 -4.99 118.68 119.67 3dk4 s LEU 186 Ca -0.05 2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 3dk4 s LEU 186 Cb -0.01 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 3dk4 s LEU 186 CO -0.05 -0.71 1.32 -2.84 -1.32 0.00 0.00 176.35 172.75 3dk4 s PRO 187 N 2.34 4.35 0.16 0.98 0.02 -1.26 -4.92 135.00 136.67 3dk4 s PRO 187 Ca 0.64 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.76 3dk4 s PRO 187 Cb -0.32 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.14 3dk4 s PRO 187 CO 0.27 -0.21 1.58 0.78 -0.33 0.00 0.00 177.00 179.09 3dk4 h GLY 188 N 3.72 1.06 -6.66 0.52 0.00 -1.94 -3.40 103.07 96.38 3dk4 h GLY 188 Ca -0.48 -0.86 -0.48 0.00 0.00 0.00 0.00 47.33 45.51 3dk4 h GLY 188 CO 0.68 0.79 -0.79 -1.60 0.00 0.00 0.00 176.54 175.62 3dk4 s ARG 189 N -4.84 1.13 -0.02 4.80 6.06 -1.26 -1.01 118.95 123.81 3dk4 s ARG 189 Ca -0.12 -0.12 0.06 0.00 -2.50 0.00 0.00 55.73 53.05 3dk4 s ARG 189 Cb 0.12 -1.26 -0.02 0.00 0.06 0.00 0.00 34.95 33.86 3dk4 s ARG 189 CO 0.85 -0.23 -0.21 -1.12 -2.50 0.00 0.00 175.30 172.10 3dk4 s SER 190 N 1.61 2.44 -0.15 -2.12 0.01 -0.24 -0.81 113.70 114.44 3dk4 s SER 190 Ca 0.01 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3dk4 s SER 190 Cb -0.13 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.84 3dk4 s SER 190 CO -0.05 0.25 -0.12 -0.69 0.41 0.00 0.00 173.24 173.04 3dk4 s VAL 191 N -0.47 1.48 -0.19 3.43 1.01 0.16 -0.93 120.40 124.90 3dk4 s VAL 191 Ca 0.07 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 3dk4 s VAL 191 Cb -0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3dk4 s VAL 191 CO -0.01 0.40 0.06 -0.63 0.00 0.00 0.00 175.10 174.92 3dk4 s ILE 192 N 1.51 4.62 -0.18 2.22 1.09 -0.16 -0.87 121.20 129.43 3dk4 s ILE 192 Ca 0.04 -0.09 -0.04 0.00 -1.10 0.00 0.00 60.65 59.46 3dk4 s ILE 192 Cb -0.13 -3.09 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 3dk4 s ILE 192 CO -0.10 0.44 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.47 3dk4 s VAL 193 N 0.61 3.83 0.00 2.92 1.01 0.04 -0.42 120.40 128.39 3dk4 s VAL 193 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3dk4 s VAL 193 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3dk4 s VAL 193 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3dk4 n GLY 194 N 4.04 2.76 0.33 4.51 0.00 -0.78 -0.29 105.19 115.76 3dk4 n GLY 194 Ca -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3dk4 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 n ALA 195 N -1.53 1.65 -2.81 4.61 0.00 -1.26 -4.59 120.51 116.58 3dk4 n ALA 195 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 3dk4 n ALA 195 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3dk4 n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dk4 n GLY 196 N 0.00 1.90 0.22 0.00 0.00 -1.26 -0.77 105.19 105.28 3dk4 n GLY 196 Ca 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 3dk4 n GLY 196 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3dk4 h TYR 197 N -0.01 0.56 -0.36 1.61 -0.00 -1.98 -1.83 116.97 114.96 3dk4 h TYR 197 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 58.73 58.53 3dk4 h TYR 197 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 3dk4 h TYR 197 CO 0.00 0.81 0.05 0.82 -0.00 0.00 0.00 178.16 179.84 3dk4 h ILE 198 N 0.39 1.24 -0.29 -0.90 2.04 -1.95 -0.20 117.51 117.84 3dk4 h ILE 198 Ca 0.03 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.06 3dk4 h ILE 198 Cb 0.88 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3dk4 h ILE 198 CO 0.07 0.29 0.09 0.00 0.00 0.00 0.00 178.15 178.61 3dk4 h ALA 199 N 0.90 0.32 -0.20 1.87 0.00 -1.72 0.43 119.26 120.86 3dk4 h ALA 199 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3dk4 h ALA 199 Cb 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3dk4 h ALA 199 CO 0.01 -0.31 -0.04 0.28 0.00 0.00 0.00 179.25 179.18 3dk4 h VAL 200 N 0.22 0.81 -0.35 0.00 2.07 -1.17 -1.08 116.25 116.75 3dk4 h VAL 200 Ca 0.13 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 3dk4 h VAL 200 Cb 0.10 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3dk4 h VAL 200 CO -0.14 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.21 3dk4 h GLU 201 N 0.01 0.56 -0.56 1.57 5.08 -0.74 -1.33 114.58 119.17 3dk4 h GLU 201 Ca 0.10 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3dk4 h GLU 201 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3dk4 h GLU 201 CO -0.20 0.60 -0.09 0.52 -1.00 0.00 0.00 179.01 178.84 3dk4 h MET 202 N 0.41 1.05 -0.51 2.33 2.86 -0.85 -1.50 114.93 118.72 3dk4 h MET 202 Ca 0.11 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3dk4 h MET 202 Cb 0.29 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3dk4 h MET 202 CO 0.00 1.08 0.32 0.00 1.06 0.00 0.00 176.91 179.37 3dk4 h ALA 203 N 0.94 0.65 -0.62 6.32 0.00 -1.15 -0.88 119.26 124.52 3dk4 h ALA 203 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3dk4 h ALA 203 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3dk4 h ALA 203 CO 0.05 0.12 0.02 0.78 0.00 0.00 0.00 179.25 180.21 3dk4 h GLY 204 N 0.69 1.17 0.76 0.00 0.00 -1.02 -0.90 103.07 103.78 3dk4 h GLY 204 Ca 0.19 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3dk4 h GLY 204 CO -0.04 0.78 -0.02 -2.22 0.00 0.00 0.00 176.54 175.05 3dk4 h ILE 205 N 0.99 1.13 -0.79 2.60 2.04 -1.10 -1.51 117.51 120.88 3dk4 h ILE 205 Ca 0.18 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3dk4 h ILE 205 Cb 0.54 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3dk4 h ILE 205 CO 0.03 0.14 0.46 -0.07 0.00 0.00 0.00 178.15 178.71 3dk4 h LEU 206 N -0.29 0.96 -0.37 1.44 3.38 -1.08 -1.94 115.31 117.41 3dk4 h LEU 206 Ca -0.01 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3dk4 h LEU 206 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dk4 h LEU 206 CO 0.01 0.76 -0.27 -1.28 0.09 0.00 0.00 178.44 177.74 3dk4 h SER 207 N 1.09 0.88 -0.46 -0.43 0.87 -1.17 -0.59 113.55 113.73 3dk4 h SER 207 Ca 0.28 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3dk4 h SER 207 Cb -0.01 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3dk4 h SER 207 CO -0.05 1.13 0.28 0.00 -0.53 0.00 0.00 176.83 177.66 3dk4 h ALA 208 N 0.77 1.61 -0.01 6.23 0.00 -1.04 -2.01 119.26 124.81 3dk4 h ALA 208 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dk4 h ALA 208 Cb 0.85 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3dk4 h ALA 208 CO 0.07 0.34 -0.06 1.28 0.00 0.00 0.00 179.25 180.88 3dk4 n LEU 209 N -4.43 0.67 0.00 0.00 4.77 -0.75 -4.82 117.00 112.43 3dk4 n LEU 209 Ca 0.04 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3dk4 n LEU 209 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3dk4 n LEU 209 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3dk4 n GLY 210 N 1.19 1.05 3.76 -0.72 0.00 -0.75 -4.85 105.19 104.86 3dk4 n GLY 210 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3dk4 n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dk4 s SER 211 N -1.12 7.07 -0.52 1.61 0.15 -0.26 -4.97 113.70 115.66 3dk4 s SER 211 Ca 0.00 2.39 -0.28 0.00 0.70 0.00 0.00 55.95 58.75 3dk4 s SER 211 Cb 0.00 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3dk4 s SER 211 CO 0.00 -0.30 1.37 -0.75 1.20 0.00 0.00 173.24 174.76 3dk4 s LYS 212 N -1.63 3.42 -0.08 5.44 2.20 -0.18 -4.27 119.74 124.64 3dk4 s LYS 212 Ca 0.47 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.67 3dk4 s LYS 212 Cb -0.34 -4.07 -0.01 0.00 -1.51 0.00 0.00 37.83 31.90 3dk4 s LYS 212 CO 0.44 -1.79 -0.21 0.99 -0.36 0.00 0.00 175.35 174.42 3dk4 s THR 213 N 5.68 2.43 0.08 3.43 2.01 -1.26 -1.07 115.64 126.94 3dk4 s THR 213 Ca 0.53 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.70 3dk4 s THR 213 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3dk4 s THR 213 CO 0.27 0.56 -0.25 -0.44 -0.69 0.00 0.00 174.62 174.07 3dk4 s SER 214 N -0.10 3.33 -0.21 3.53 0.01 -0.11 -1.62 113.70 118.55 3dk4 s SER 214 Ca -0.04 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.61 3dk4 s SER 214 Cb -0.14 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.81 3dk4 s SER 214 CO 0.04 0.23 -0.15 -0.22 0.41 0.00 0.00 173.24 173.55 3dk4 s LEU 215 N -1.60 2.54 -0.30 2.44 2.96 0.40 -0.99 118.68 124.13 3dk4 s LEU 215 Ca 0.13 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 3dk4 s LEU 215 Cb -0.10 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3dk4 s LEU 215 CO 0.04 -0.09 0.17 -0.32 -1.32 0.00 0.00 176.35 174.83 3dk4 s MET 216 N 1.27 3.51 0.06 1.98 -2.45 0.44 -0.60 119.30 123.51 3dk4 s MET 216 Ca -0.01 -0.61 0.07 0.00 -1.25 0.00 0.00 55.69 53.90 3dk4 s MET 216 Cb -0.16 -3.60 -0.03 0.00 1.25 0.00 0.00 34.83 32.29 3dk4 s MET 216 CO -0.09 -0.36 -0.19 0.96 1.05 0.00 0.00 175.02 176.39 3dk4 s ILE 217 N 1.66 1.54 -0.02 10.11 -4.36 -0.44 -1.87 121.20 127.82 3dk4 s ILE 217 Ca 0.06 -1.25 0.24 0.00 -0.26 0.00 0.00 60.65 59.43 3dk4 s ILE 217 Cb -0.17 -1.37 0.24 0.00 1.25 0.00 0.00 42.46 42.42 3dk4 s ILE 217 CO 0.08 0.08 1.74 0.03 0.24 0.00 0.00 174.94 177.11 3dk4 h ARG 218 N 4.66 0.00 0.00 0.37 3.08 -1.85 -0.23 114.38 120.41 3dk4 h ARG 218 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3dk4 h ARG 218 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3dk4 h ARG 218 CO 0.43 0.20 0.00 0.72 -1.07 0.00 0.00 179.97 180.25 3dk4 n HIS 219 N -3.27 0.00 0.21 3.04 8.25 -1.26 -3.79 115.22 118.41 3dk4 n HIS 219 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 3dk4 n HIS 219 Cb 0.48 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.51 3dk4 n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3dk4 n ASP 220 N 0.00 0.42 -3.90 0.41 3.85 -1.26 -0.96 116.55 115.11 3dk4 n ASP 220 Ca 0.00 -0.02 -0.10 0.00 -0.71 0.00 0.00 54.79 53.96 3dk4 n ASP 220 Cb 0.00 1.26 -0.09 0.00 -1.35 0.00 0.00 41.12 40.94 3dk4 n ASP 220 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3dk4 s LYS 221 N -3.38 0.62 0.66 0.11 1.02 -1.26 -4.97 119.74 112.54 3dk4 s LYS 221 Ca -0.02 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 3dk4 s LYS 221 Cb 0.13 0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.72 3dk4 s LYS 221 CO 0.85 -0.16 0.98 0.14 -0.92 0.00 0.00 175.35 176.24 3dk4 s VAL 222 N -2.56 2.90 -1.44 3.17 -7.23 -1.26 -4.55 120.40 109.44 3dk4 s VAL 222 Ca -0.05 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.96 3dk4 s VAL 222 Cb -0.01 -3.22 0.04 0.00 0.56 0.00 0.00 36.38 33.75 3dk4 s VAL 222 CO -0.04 -0.24 0.78 0.18 -0.31 0.00 0.00 175.10 175.47 3dk4 n LEU 223 N -2.81 -2.67 0.21 1.32 4.77 0.05 -4.49 117.00 113.38 3dk4 n LEU 223 Ca 0.07 -0.84 0.15 0.00 -0.03 0.00 0.00 56.01 55.35 3dk4 n LEU 223 Cb 0.59 -2.52 0.64 0.00 -2.33 0.00 0.00 43.42 39.80 3dk4 n LEU 223 CO 0.53 0.43 0.94 0.03 -1.33 0.00 0.00 177.39 177.99 3dk4 h ARG 224 N -1.93 0.00 -0.00 3.23 3.08 -1.80 -1.05 114.38 115.91 3dk4 h ARG 224 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3dk4 h ARG 224 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3dk4 h ARG 224 CO 0.63 0.00 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.30 3dk4 n SER 225 N -2.67 0.13 -4.76 7.04 3.41 -1.26 -4.83 113.62 110.69 3dk4 n SER 225 Ca 0.01 0.18 -0.28 0.00 -0.26 0.00 0.00 58.87 58.52 3dk4 n SER 225 Cb 0.23 -0.30 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 3dk4 n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dk4 s PHE 226 N -2.89 2.62 0.42 7.33 0.40 -0.40 -5.02 117.98 120.44 3dk4 s PHE 226 Ca 0.17 0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 56.76 3dk4 s PHE 226 Cb 0.19 -3.48 -0.10 0.00 0.51 0.00 0.00 43.02 40.14 3dk4 s PHE 226 CO 0.54 -1.80 1.11 -3.47 0.70 0.00 0.00 175.22 172.30 3dk4 n ASP 227 N -3.23 1.74 -0.21 1.36 2.03 -1.26 -4.69 116.55 112.28 3dk4 n ASP 227 Ca 0.10 1.07 0.14 0.00 0.52 0.00 0.00 54.79 56.62 3dk4 n ASP 227 Cb 0.60 -1.40 0.46 0.00 -0.72 0.00 0.00 41.12 40.06 3dk4 n ASP 227 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dk4 h SER 228 N 1.75 0.49 -0.64 1.67 4.64 -1.92 -0.44 113.55 119.10 3dk4 h SER 228 Ca -0.45 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 3dk4 h SER 228 Cb 1.32 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3dk4 h SER 228 CO 0.58 0.25 0.34 -0.03 -0.87 0.00 0.00 176.83 177.10 3dk4 h MET 229 N 0.52 0.90 -0.27 4.77 -1.53 -2.00 -1.78 114.93 115.55 3dk4 h MET 229 Ca 0.41 -0.12 -0.07 0.00 -3.44 0.00 0.00 59.70 56.48 3dk4 h MET 229 Cb 0.82 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 3dk4 h MET 229 CO -0.15 0.70 -0.11 0.82 0.14 0.00 0.00 176.91 178.31 3dk4 h ILE 230 N 0.88 1.29 -0.47 1.77 1.08 -1.47 -0.82 117.51 119.77 3dk4 h ILE 230 Ca 0.22 -1.17 0.06 0.00 -0.39 0.00 0.00 64.86 63.59 3dk4 h ILE 230 Cb 0.07 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 3dk4 h ILE 230 CO -0.03 0.37 0.17 -1.28 -0.69 0.00 0.00 178.15 176.68 3dk4 h SER 231 N 0.28 0.17 0.57 1.72 0.87 -1.08 0.10 113.55 116.18 3dk4 h SER 231 Ca 0.06 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3dk4 h SER 231 Cb 0.60 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 3dk4 h SER 231 CO 0.03 0.13 -0.27 0.74 -0.53 0.00 0.00 176.83 176.93 3dk4 h THR 232 N 0.34 0.44 -0.77 2.23 2.02 -1.32 -2.72 112.91 113.13 3dk4 h THR 232 Ca 0.22 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 3dk4 h THR 232 Cb 0.23 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3dk4 h THR 232 CO -0.23 0.01 0.36 -1.13 0.37 0.00 0.00 175.52 174.89 3dk4 h ASN 233 N -0.80 1.02 -0.75 4.18 -1.24 -0.95 -1.53 115.58 115.52 3dk4 h ASN 233 Ca -0.08 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 3dk4 h ASN 233 Cb 0.60 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 3dk4 h ASN 233 CO 0.13 0.88 0.43 0.00 -1.29 0.00 0.00 177.43 177.58 3dk4 h THR 235 N 1.04 1.14 -0.67 0.00 2.02 -1.22 -1.27 112.91 113.95 3dk4 h THR 235 Ca 0.27 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3dk4 h THR 235 Cb 0.01 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3dk4 h THR 235 CO -0.05 0.14 0.37 -0.33 0.37 0.00 0.00 175.52 176.03 3dk4 h GLU 236 N 0.38 0.94 -0.25 6.66 5.08 -0.91 -2.15 114.58 124.33 3dk4 h GLU 236 Ca 0.11 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3dk4 h GLU 236 Cb 0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3dk4 h GLU 236 CO -0.02 0.70 -0.31 0.93 -1.00 0.00 0.00 179.01 179.31 3dk4 h GLU 237 N 0.92 0.52 -0.03 2.33 4.39 -0.84 -0.16 114.58 121.71 3dk4 h GLU 237 Ca 0.24 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3dk4 h GLU 237 Cb 0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3dk4 h GLU 237 CO -0.04 0.78 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.47 3dk4 h LEU 238 N 0.45 -0.13 -0.73 1.33 3.38 -1.00 -1.08 115.31 117.54 3dk4 h LEU 238 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dk4 h LEU 238 Cb 0.76 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3dk4 h LEU 238 CO 0.06 -0.06 0.35 -0.33 0.09 0.00 0.00 178.44 178.55 3dk4 h GLU 239 N -0.06 1.05 -0.15 1.13 5.08 -1.09 -1.83 114.58 118.71 3dk4 h GLU 239 Ca 0.03 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3dk4 h GLU 239 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3dk4 h GLU 239 CO -0.07 0.83 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.77 3dk4 h ASN 240 N 1.02 0.21 0.56 1.42 2.35 -0.76 -1.79 115.58 118.60 3dk4 h ASN 240 Ca 0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3dk4 h ASN 240 Cb 0.12 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3dk4 h ASN 240 CO -0.03 0.33 0.00 0.00 -1.65 0.00 0.00 177.43 176.08 3dk4 n ALA 241 N -2.49 2.39 0.00 -0.83 0.00 -0.43 -4.92 120.51 114.23 3dk4 n ALA 241 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3dk4 n ALA 241 Cb 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3dk4 n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dk4 n GLY 242 N 1.13 0.61 3.70 0.00 0.00 -0.67 -4.91 105.19 105.05 3dk4 n GLY 242 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3dk4 n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dk4 s VAL 243 N -2.00 4.30 -0.44 1.61 1.01 -0.73 -4.70 120.40 119.45 3dk4 s VAL 243 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 3dk4 s VAL 243 Cb 0.00 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3dk4 s VAL 243 CO 0.00 0.08 1.11 -0.70 0.00 0.00 0.00 175.10 175.59 3dk4 s GLU 244 N 1.48 3.80 -0.40 2.72 2.12 -0.64 -3.99 118.70 123.79 3dk4 s GLU 244 Ca 0.56 0.68 -0.18 0.00 0.36 0.00 0.00 54.97 56.39 3dk4 s GLU 244 Cb -0.26 -3.87 0.01 0.00 0.26 0.00 0.00 34.13 30.28 3dk4 s GLU 244 CO 0.26 -1.26 0.48 0.08 -0.54 0.00 0.00 175.26 174.28 3dk4 s VAL 245 N 4.23 5.04 -0.62 3.70 1.01 -1.26 -0.46 120.40 132.04 3dk4 s VAL 245 Ca 0.47 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 3dk4 s VAL 245 Cb -0.08 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.36 3dk4 s VAL 245 CO 0.27 -0.37 0.80 -0.76 0.00 0.00 0.00 175.10 175.05 3dk4 s LEU 246 N 2.30 5.04 0.32 3.92 1.43 0.23 -4.97 118.68 126.96 3dk4 s LEU 246 Ca 0.15 -1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 3dk4 s LEU 246 Cb -0.16 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 3dk4 s LEU 246 CO 0.14 -1.23 0.70 -0.54 0.23 0.00 0.00 176.35 175.66 3dk4 s LYS 247 N 3.15 3.90 -1.52 1.70 1.02 -1.26 -1.33 119.74 125.40 3dk4 s LYS 247 Ca 0.15 0.53 -0.10 0.00 0.02 0.00 0.00 55.97 56.57 3dk4 s LYS 247 Cb -0.21 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.70 3dk4 s LYS 247 CO 0.07 0.15 0.73 1.19 -0.92 0.00 0.00 175.35 176.57 3dk4 n PHE 248 N -0.53 -1.90 -4.54 3.18 3.01 -0.13 -4.70 117.46 111.84 3dk4 n PHE 248 Ca 0.03 0.82 -0.21 0.00 1.01 0.00 0.00 57.45 59.09 3dk4 n PHE 248 Cb 0.53 -3.64 -0.15 0.00 -0.01 0.00 0.00 39.48 36.21 3dk4 n PHE 248 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3dk4 s SER 249 N -3.73 1.45 0.02 4.37 0.01 -0.18 -0.87 113.70 114.77 3dk4 s SER 249 Ca 0.42 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.46 3dk4 s SER 249 Cb -0.22 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 3dk4 s SER 249 CO 0.88 0.14 -0.03 -1.10 0.41 0.00 0.00 173.24 173.54 3dk4 s GLN 250 N -0.20 0.29 -0.00 12.44 -0.21 -0.25 -3.92 119.66 127.80 3dk4 s GLN 250 Ca 0.03 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 3dk4 s GLN 250 Cb -0.06 0.09 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 3dk4 s GLN 250 CO -0.00 -0.04 0.97 0.08 -2.12 0.00 0.00 175.29 174.18 3dk4 s VAL 251 N -1.33 4.87 -0.21 1.09 1.01 -1.26 -0.69 120.40 123.88 3dk4 s VAL 251 Ca -0.14 2.04 0.15 0.00 0.00 0.00 0.00 61.98 64.02 3dk4 s VAL 251 Cb -0.09 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 3dk4 s VAL 251 CO -0.01 0.16 0.02 1.17 0.00 0.00 0.00 175.10 176.44 3dk4 n LYS 252 N 3.92 0.68 -3.54 2.72 0.00 0.55 -4.93 118.16 117.56 3dk4 n LYS 252 Ca 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 58.31 58.26 3dk4 n LYS 252 Cb 0.51 -1.52 -0.05 0.00 0.00 0.00 0.00 35.03 33.97 3dk4 n LYS 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3dk4 s GLU 253 N -2.50 0.83 -0.04 1.64 2.12 -1.21 -4.10 118.70 115.44 3dk4 s GLU 253 Ca -0.15 0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.31 3dk4 s GLU 253 Cb 0.07 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.85 3dk4 s GLU 253 CO 0.79 -0.28 -0.11 0.08 -0.54 0.00 0.00 175.26 175.20 3dk4 s VAL 254 N -1.51 0.98 0.02 3.70 1.01 -0.29 -0.45 120.40 123.87 3dk4 s VAL 254 Ca -0.04 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3dk4 s VAL 254 Cb -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3dk4 s VAL 254 CO 0.03 0.31 -0.13 -0.54 0.00 0.00 0.00 175.10 174.76 3dk4 s LYS 255 N 0.34 0.95 0.08 2.72 1.02 -0.58 -4.05 119.74 120.23 3dk4 s LYS 255 Ca -0.07 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 54.98 3dk4 s LYS 255 Cb -0.12 -0.94 -0.06 0.00 -0.52 0.00 0.00 37.83 36.19 3dk4 s LYS 255 CO 0.02 0.24 1.22 0.21 -0.92 0.00 0.00 175.35 176.11 3dk4 s LYS 256 N -0.83 4.43 0.50 1.68 2.47 -1.26 -0.61 119.74 126.12 3dk4 s LYS 256 Ca 0.03 1.81 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 3dk4 s LYS 256 Cb -0.07 -3.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 3dk4 s LYS 256 CO 0.01 -0.25 0.01 0.25 0.16 0.00 0.00 175.35 175.53 3dk4 n THR 257 N 3.72 0.00 0.20 3.43 -2.24 -0.38 -4.88 114.28 114.13 3dk4 n THR 257 Ca 0.08 -2.35 0.05 0.00 -2.27 0.00 0.00 64.05 59.57 3dk4 n THR 257 Cb 0.46 0.46 0.42 0.00 -2.10 0.00 0.00 70.33 69.56 3dk4 n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dk4 h LEU 258 N 0.00 0.00 -0.90 3.22 3.38 -1.98 -2.95 115.31 116.08 3dk4 h LEU 258 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3dk4 h LEU 258 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3dk4 h LEU 258 CO 0.68 0.33 -0.37 -0.24 0.09 0.00 0.00 178.44 178.93 3dk4 n SER 259 N -3.79 1.71 0.00 -0.43 2.88 -1.26 -5.05 113.62 107.68 3dk4 n SER 259 Ca -0.01 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.17 3dk4 n SER 259 Cb 0.42 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 3dk4 n SER 259 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dk4 n GLY 260 N 1.22 -1.03 3.15 0.46 0.00 -1.12 -4.87 105.19 102.99 3dk4 n GLY 260 Ca 0.07 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 3dk4 n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dk4 s LEU 261 N 0.00 2.25 -0.17 0.99 1.43 -0.22 -1.25 118.68 121.71 3dk4 s LEU 261 Ca 0.00 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3dk4 s LEU 261 Cb 0.00 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.74 3dk4 s LEU 261 CO 0.00 -0.07 -0.15 -0.70 0.23 0.00 0.00 176.35 175.66 3dk4 s GLU 262 N -1.59 3.17 -0.26 1.70 2.12 0.22 -1.33 118.70 122.74 3dk4 s GLU 262 Ca -0.02 -0.76 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 3dk4 s GLU 262 Cb -0.09 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 3dk4 s GLU 262 CO 0.02 -0.08 0.12 0.08 -0.54 0.00 0.00 175.26 174.87 3dk4 s VAL 263 N 1.04 4.78 -0.25 3.70 1.01 -0.26 -1.52 120.40 128.90 3dk4 s VAL 263 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 3dk4 s VAL 263 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3dk4 s VAL 263 CO -0.04 0.31 0.70 -0.55 0.00 0.00 0.00 175.10 175.51 3dk4 s SER 264 N 1.62 6.67 0.02 3.32 0.15 0.40 0.10 113.70 125.98 3dk4 s SER 264 Ca 0.07 0.83 0.07 0.00 0.70 0.00 0.00 55.95 57.61 3dk4 s SER 264 Cb -0.15 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 3dk4 s SER 264 CO 0.07 -0.42 -0.20 -0.32 1.20 0.00 0.00 173.24 173.57 3dk4 s MET 265 N 2.60 2.09 -0.15 5.44 0.00 0.01 -0.33 119.30 128.95 3dk4 s MET 265 Ca 0.29 -0.95 -0.03 0.00 0.00 0.00 0.00 55.69 55.00 3dk4 s MET 265 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 34.83 32.50 3dk4 s MET 265 CO 0.08 0.55 -0.06 0.08 0.00 0.00 0.00 175.02 175.67 3dk4 s VAL 266 N -0.82 3.61 -0.12 10.11 1.01 0.13 -0.88 120.40 133.44 3dk4 s VAL 266 Ca 0.13 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dk4 s VAL 266 Cb -0.10 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3dk4 s VAL 266 CO 0.03 0.50 -0.16 -0.89 0.00 0.00 0.00 175.10 174.57 3dk4 s THR 267 N 0.45 2.78 -0.41 3.92 2.01 0.19 -1.09 115.64 123.49 3dk4 s THR 267 Ca -0.05 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3dk4 s THR 267 Cb -0.15 -2.14 0.17 0.00 0.01 0.00 0.00 72.50 70.40 3dk4 s THR 267 CO 0.03 0.54 0.36 0.00 -0.69 0.00 0.00 174.62 174.86 3dk4 n ALA 268 N 3.45 2.70 -2.38 7.40 0.00 -0.05 -0.78 120.51 130.85 3dk4 n ALA 268 Ca -0.18 -3.05 -0.42 0.00 0.00 0.00 0.00 53.44 49.79 3dk4 n ALA 268 Cb 0.53 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3dk4 n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dk4 s VAL 269 N 0.02 4.28 0.19 0.00 1.01 -1.26 -4.87 120.40 119.76 3dk4 s VAL 269 Ca 0.33 1.75 -0.33 0.00 0.00 0.00 0.00 61.98 63.73 3dk4 s VAL 269 Cb 0.05 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 3dk4 s VAL 269 CO -0.19 0.20 1.43 -2.65 0.00 0.00 0.00 175.10 173.89 3dk4 n PRO 270 N 3.32 1.86 -0.06 2.72 -0.02 -1.26 -1.55 135.00 140.02 3dk4 n PRO 270 Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3dk4 n PRO 270 Cb 0.48 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3dk4 n PRO 270 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dk4 n GLY 271 N 2.61 0.94 3.59 -1.23 0.00 -1.26 -5.03 105.19 104.81 3dk4 n GLY 271 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3dk4 n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dk4 s ARG 272 N -0.67 1.90 0.23 1.61 0.52 -0.60 -5.15 118.95 116.80 3dk4 s ARG 272 Ca 0.00 -2.08 -0.12 0.00 -0.52 0.00 0.00 55.73 53.01 3dk4 s ARG 272 Cb 0.00 -1.47 -0.08 0.00 0.52 0.00 0.00 34.95 33.92 3dk4 s ARG 272 CO 0.00 -0.09 0.59 -0.51 0.02 0.00 0.00 175.30 175.31 3dk4 s LEU 273 N -3.67 4.19 0.55 2.53 1.43 -1.26 -4.68 118.68 117.77 3dk4 s LEU 273 Ca 0.35 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.28 3dk4 s LEU 273 Cb 0.10 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3dk4 s LEU 273 CO 0.17 -0.06 1.34 -2.84 0.23 0.00 0.00 176.35 175.19 3dk4 s PRO 274 N -2.64 3.10 -0.01 1.29 0.02 -1.26 -4.69 135.00 130.81 3dk4 s PRO 274 Ca 0.47 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.67 3dk4 s PRO 274 Cb -0.12 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3dk4 s PRO 274 CO 0.20 -1.21 0.02 0.54 -0.33 0.00 0.00 177.00 176.22 3dk4 s VAL 275 N -1.33 -0.00 -0.15 3.83 0.11 0.04 -4.99 120.40 117.91 3dk4 s VAL 275 Ca 0.72 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.65 3dk4 s VAL 275 Cb -0.39 -0.04 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 3dk4 s VAL 275 CO 0.46 0.00 0.28 -0.04 -3.33 0.00 0.00 175.10 172.48 3dk4 s MET 276 N 0.04 4.17 -0.04 1.54 -1.94 -1.26 -0.63 119.30 121.18 3dk4 s MET 276 Ca -0.00 0.09 0.03 0.00 -1.71 0.00 0.00 55.69 54.10 3dk4 s MET 276 Cb -0.00 -3.39 0.01 0.00 2.01 0.00 0.00 34.83 33.45 3dk4 s MET 276 CO -0.00 0.31 -0.12 0.99 -0.01 0.00 0.00 175.02 176.19 3dk4 s THR 277 N 0.25 1.05 -0.04 2.05 2.01 -0.06 -5.00 115.64 115.89 3dk4 s THR 277 Ca 0.17 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 3dk4 s THR 277 Cb -0.13 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 3dk4 s THR 277 CO 0.04 0.32 0.49 -0.04 -0.69 0.00 0.00 174.62 174.75 3dk4 s MET 278 N 0.32 4.21 -0.37 4.92 -1.94 -1.26 -0.81 119.30 124.37 3dk4 s MET 278 Ca -0.07 0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 54.36 3dk4 s MET 278 Cb -0.12 -3.34 0.06 0.00 2.01 0.00 0.00 34.83 33.44 3dk4 s MET 278 CO 0.02 0.39 0.17 0.42 -0.01 0.00 0.00 175.02 176.01 3dk4 s ILE 279 N -0.16 3.95 0.57 2.53 1.01 0.12 -4.96 121.20 124.26 3dk4 s ILE 279 Ca 0.27 -1.27 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3dk4 s ILE 279 Cb -0.17 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.00 3dk4 s ILE 279 CO 0.13 -0.33 0.84 -2.16 0.00 0.00 0.00 174.94 173.43 3dk4 s PRO 280 N 1.40 2.70 -1.44 2.79 0.04 -1.26 -1.10 135.00 138.13 3dk4 s PRO 280 Ca 0.01 -0.36 -0.10 0.00 0.04 0.00 0.00 61.00 60.58 3dk4 s PRO 280 Cb -0.21 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.00 3dk4 s PRO 280 CO 0.02 -0.72 1.05 -0.25 0.04 0.00 0.00 177.00 177.15 3dk4 n ASP 281 N -2.48 -5.77 -4.68 6.66 10.43 -0.88 -4.94 116.55 114.89 3dk4 n ASP 281 Ca 0.05 -0.60 -0.41 0.00 2.57 0.00 0.00 54.79 56.40 3dk4 n ASP 281 Cb 0.59 -4.57 -0.04 0.00 1.84 0.00 0.00 41.12 38.94 3dk4 n ASP 281 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3dk4 s VAL 282 N -3.29 4.90 -0.03 2.53 1.01 -0.44 -4.69 120.40 120.38 3dk4 s VAL 282 Ca 0.59 1.63 -0.09 0.00 0.00 0.00 0.00 61.98 64.11 3dk4 s VAL 282 Cb -0.28 -4.13 -0.30 0.00 0.00 0.00 0.00 36.38 31.67 3dk4 s VAL 282 CO 0.73 0.06 0.73 0.44 0.00 0.00 0.00 175.10 177.06 3dk4 h ASP 283 N 7.24 0.56 -3.22 3.32 5.19 -1.30 -0.56 116.42 127.66 3dk4 h ASP 283 Ca -0.31 -0.82 -0.52 0.00 -0.62 0.00 0.00 57.03 54.77 3dk4 h ASP 283 Cb 1.14 -0.18 -0.37 0.00 0.18 0.00 0.00 39.33 40.10 3dk4 h ASP 283 CO 0.82 1.68 -0.79 0.00 -3.12 0.00 0.00 179.24 177.83 3dk4 s LEU 285 N 1.75 3.11 -0.18 0.00 2.96 -1.26 -0.66 118.68 124.39 3dk4 s LEU 285 Ca 0.04 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3dk4 s LEU 285 Cb -0.13 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.78 3dk4 s LEU 285 CO -0.08 -0.03 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.51 3dk4 s LEU 286 N 1.52 2.20 -0.25 -0.68 0.20 -0.05 -0.57 118.68 121.05 3dk4 s LEU 286 Ca 0.06 -0.70 -0.26 0.00 0.69 0.00 0.00 54.13 53.92 3dk4 s LEU 286 Cb -0.15 -1.46 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 3dk4 s LEU 286 CO -0.01 -0.02 0.92 0.26 -0.29 0.00 0.00 176.35 177.22 3dk4 s TRP 287 N 1.29 3.29 -0.45 5.38 0.52 0.33 -0.78 118.94 128.52 3dk4 s TRP 287 Ca 0.04 1.22 0.09 0.00 0.02 0.00 0.00 56.10 57.47 3dk4 s TRP 287 Cb -0.14 -3.22 0.33 0.00 -1.15 0.00 0.00 33.47 29.30 3dk4 s TRP 287 CO -0.12 -0.49 0.77 0.00 0.02 0.00 0.00 176.95 177.13 3dk4 n ALA 288 N 6.24 2.95 0.52 0.98 0.00 0.60 -4.32 120.51 127.48 3dk4 n ALA 288 Ca 0.08 -3.86 0.06 0.00 0.00 0.00 0.00 53.44 49.72 3dk4 n ALA 288 Cb 0.47 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 3dk4 n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3dk4 n ILE 289 N 0.30 0.00 -0.82 0.00 -5.35 -1.25 -4.18 119.36 108.06 3dk4 n ILE 289 Ca 0.27 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3dk4 n ILE 289 Cb 0.55 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3dk4 n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dk4 n GLY 290 N 1.02 -1.62 3.14 3.28 0.00 -1.26 -4.99 105.19 104.76 3dk4 n GLY 290 Ca 0.04 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 3dk4 n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dk4 s ARG 291 N -1.81 0.93 -0.05 1.61 1.81 -1.26 -1.44 118.95 118.74 3dk4 s ARG 291 Ca 0.00 -0.74 0.04 0.00 -1.72 0.00 0.00 55.73 53.32 3dk4 s ARG 291 Cb 0.00 -0.93 -0.02 0.00 -0.45 0.00 0.00 34.95 33.55 3dk4 s ARG 291 CO 0.00 0.23 -0.17 0.08 -0.68 0.00 0.00 175.30 174.76 3dk4 s VAL 292 N -0.82 2.83 0.52 3.52 1.01 0.23 -4.82 120.40 122.87 3dk4 s VAL 292 Ca 0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3dk4 s VAL 292 Cb -0.08 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 3dk4 s VAL 292 CO 0.01 0.59 1.09 -2.16 0.00 0.00 0.00 175.10 174.63 3dk4 s PRO 293 N -0.65 3.52 -1.10 2.72 0.04 -1.26 -0.57 135.00 137.70 3dk4 s PRO 293 Ca 0.10 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3dk4 s PRO 293 Cb -0.11 -2.04 0.22 0.00 0.04 0.00 0.00 34.50 32.61 3dk4 s PRO 293 CO 0.00 -0.69 1.19 1.21 0.04 0.00 0.00 177.00 178.76 3dk4 s ASN 294 N -1.85 7.12 0.00 6.66 3.84 0.12 -4.58 114.94 126.25 3dk4 s ASN 294 Ca 0.71 -3.15 0.00 0.00 0.21 0.00 0.00 52.86 50.62 3dk4 s ASN 294 Cb -0.21 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 3dk4 s ASN 294 CO 0.24 -0.55 0.06 0.35 -2.79 0.00 0.00 177.10 174.42 3dk4 n THR 295 N 3.76 0.00 -0.22 -5.21 -2.24 -1.26 -4.76 114.28 104.35 3dk4 n THR 295 Ca 0.27 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 3dk4 n THR 295 Cb 0.42 1.32 0.30 0.00 -2.10 0.00 0.00 70.33 70.27 3dk4 n THR 295 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dk4 h LYS 296 N 0.00 0.87 -0.41 -0.78 6.56 -1.92 -2.85 116.57 118.03 3dk4 h LYS 296 Ca 0.00 -0.05 -0.15 0.00 -1.06 0.00 0.00 60.65 59.39 3dk4 h LYS 296 Cb 0.16 -0.20 -0.09 0.00 -0.57 0.00 0.00 32.23 31.54 3dk4 h LYS 296 CO 0.00 0.57 0.05 -0.25 -2.06 0.00 0.00 179.45 177.76 3dk4 n ASP 297 N -4.47 3.32 -0.00 0.86 8.00 -1.26 -4.53 116.55 118.47 3dk4 n ASP 297 Ca 0.11 -3.44 0.13 0.00 0.71 0.00 0.00 54.79 52.30 3dk4 n ASP 297 Cb 0.17 -0.63 0.42 0.00 -0.02 0.00 0.00 41.12 41.06 3dk4 n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dk4 n LEU 298 N -0.82 0.28 -3.52 0.64 4.77 -1.08 -4.67 117.00 112.61 3dk4 n LEU 298 Ca 0.32 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 56.27 3dk4 n LEU 298 Cb 1.07 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.87 3dk4 n LEU 298 CO 0.24 0.07 0.17 -1.20 -1.33 0.00 0.00 177.39 175.34 3dk4 n SER 299 N -1.49 -6.07 -0.08 -1.43 7.64 -1.26 -1.05 113.62 109.88 3dk4 n SER 299 Ca 0.06 -0.52 0.13 0.00 1.01 0.00 0.00 58.87 59.56 3dk4 n SER 299 Cb 0.34 -4.81 0.53 0.00 -1.01 0.00 0.00 64.21 59.25 3dk4 n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3dk4 h LEU 300 N -2.31 0.32 -2.44 -3.43 3.38 -1.91 -1.65 115.31 107.27 3dk4 h LEU 300 Ca -0.56 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3dk4 h LEU 300 Cb 1.37 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3dk4 h LEU 300 CO 0.58 0.19 0.00 -0.55 0.09 0.00 0.00 178.44 178.75 3dk4 h ASN 301 N 0.36 0.00 0.50 -0.43 -1.07 -1.90 -2.25 115.58 110.79 3dk4 h ASN 301 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.63 3dk4 h ASN 301 Cb 0.63 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.88 3dk4 h ASN 301 CO -0.07 0.00 -0.12 0.11 0.07 0.00 0.00 177.43 177.42 3dk4 h LYS 302 N 0.00 0.00 -0.08 4.14 1.57 -1.63 -2.52 116.57 118.06 3dk4 h LYS 302 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dk4 h LYS 302 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dk4 h LYS 302 CO -0.00 0.12 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 3dk4 n LEU 303 N -3.50 1.87 -1.37 2.94 4.77 -0.94 -4.67 117.00 116.10 3dk4 n LEU 303 Ca -0.01 -1.41 -0.13 0.00 -0.03 0.00 0.00 56.01 54.43 3dk4 n LEU 303 Cb 0.27 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3dk4 n LEU 303 CO 0.30 0.43 -0.16 0.61 -1.33 0.00 0.00 177.39 177.24 3dk4 n GLY 304 N 0.19 0.27 3.71 -0.72 0.00 -0.89 -4.96 105.19 102.79 3dk4 n GLY 304 Ca 0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3dk4 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk4 s ILE 305 N -2.61 3.62 0.13 -0.61 1.01 -0.93 -4.91 121.20 116.89 3dk4 s ILE 305 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.47 3dk4 s ILE 305 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 3dk4 s ILE 305 CO 0.00 0.06 1.09 -1.58 0.00 0.00 0.00 174.94 174.51 3dk4 s GLN 306 N 1.48 4.57 0.19 2.79 0.74 -1.26 -4.73 119.66 123.43 3dk4 s GLN 306 Ca 0.63 1.66 0.06 0.00 0.05 0.00 0.00 55.36 57.75 3dk4 s GLN 306 Cb -0.33 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 3dk4 s GLN 306 CO 0.29 0.01 -0.10 0.95 -0.55 0.00 0.00 175.29 175.89 3dk4 s THR 307 N 0.19 1.40 0.69 -0.34 -4.23 -1.26 -1.75 115.64 110.35 3dk4 s THR 307 Ca 0.51 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.80 3dk4 s THR 307 Cb -0.28 -2.03 0.16 0.00 1.34 0.00 0.00 72.50 71.69 3dk4 s THR 307 CO 0.32 -0.61 0.94 -0.90 -0.54 0.00 0.00 174.62 173.84 3dk4 n ASP 308 N -0.32 0.27 0.25 3.99 5.68 -0.47 -4.89 116.55 121.06 3dk4 n ASP 308 Ca -0.08 -1.46 0.17 0.00 -0.50 0.00 0.00 54.79 52.92 3dk4 n ASP 308 Cb 0.61 -0.70 0.77 0.00 -1.14 0.00 0.00 41.12 40.66 3dk4 n ASP 308 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3dk4 h ASP 309 N -1.13 0.00 0.01 -1.12 3.32 -2.02 -2.07 116.42 113.41 3dk4 h ASP 309 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3dk4 h ASP 309 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3dk4 h ASP 309 CO 0.23 0.00 -0.06 0.29 -1.72 0.00 0.00 179.24 177.98 3dk4 n LYS 310 N -2.82 1.70 -0.37 3.56 5.02 -1.26 -4.96 118.16 119.03 3dk4 n LYS 310 Ca -0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 3dk4 n LYS 310 Cb 0.20 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3dk4 n LYS 310 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dk4 n GLY 311 N 1.25 0.77 3.76 0.72 0.00 -0.78 -4.48 105.19 106.44 3dk4 n GLY 311 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3dk4 n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dk4 s HIS 312 N -2.27 3.43 0.07 1.61 3.76 -1.26 -4.68 115.29 115.95 3dk4 s HIS 312 Ca 0.00 1.65 -0.31 0.00 -0.15 0.00 0.00 55.06 56.25 3dk4 s HIS 312 Cb 0.00 -3.32 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 3dk4 s HIS 312 CO 0.00 -0.78 1.28 0.42 -0.85 0.00 0.00 174.74 174.81 3dk4 s ILE 313 N -1.24 3.76 0.03 0.60 1.01 -0.81 -1.36 121.20 123.19 3dk4 s ILE 313 Ca 0.48 1.25 -0.27 0.00 0.00 0.00 0.00 60.65 62.11 3dk4 s ILE 313 Cb -0.32 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3dk4 s ILE 313 CO 0.41 0.08 0.85 -0.63 0.00 0.00 0.00 174.94 175.65 3dk4 s ILE 314 N 1.24 4.75 0.12 2.92 -1.09 -0.71 -4.48 121.20 123.95 3dk4 s ILE 314 Ca 0.61 1.81 0.03 0.00 -2.23 0.00 0.00 60.65 60.87 3dk4 s ILE 314 Cb -0.32 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 3dk4 s ILE 314 CO 0.29 0.29 -0.08 0.68 -1.23 0.00 0.00 174.94 174.89 3dk4 s VAL 315 N 0.33 0.92 0.24 2.92 -7.23 -1.26 -4.29 120.40 112.03 3dk4 s VAL 315 Ca 0.43 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3dk4 s VAL 315 Cb -0.21 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.02 3dk4 s VAL 315 CO 0.25 -0.81 0.33 -0.90 -0.31 0.00 0.00 175.10 173.66 3dk4 n ASP 316 N -0.12 0.32 0.21 4.85 3.85 -0.63 -4.93 116.55 120.09 3dk4 n ASP 316 Ca -0.11 -1.30 0.15 0.00 -0.71 0.00 0.00 54.79 52.82 3dk4 n ASP 316 Cb 0.61 -0.23 0.64 0.00 -1.35 0.00 0.00 41.12 40.79 3dk4 n ASP 316 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3dk4 h GLU 317 N 0.00 0.00 -0.72 0.11 4.11 -1.99 -1.84 114.58 114.26 3dk4 h GLU 317 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 3dk4 h GLU 317 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3dk4 h GLU 317 CO 0.10 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.37 3dk4 n PHE 318 N -2.62 1.19 -1.24 2.06 3.01 -1.26 -4.53 117.46 114.06 3dk4 n PHE 318 Ca 0.01 -0.54 -0.08 0.00 1.01 0.00 0.00 57.45 57.84 3dk4 n PHE 318 Cb 0.22 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 3dk4 n PHE 318 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3dk4 n GLN 319 N 1.49 -0.85 -2.49 -1.08 1.13 -0.69 -4.93 117.38 109.95 3dk4 n GLN 319 Ca 0.25 0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 55.64 3dk4 n GLN 319 Cb 0.73 -4.67 -0.04 0.00 0.11 0.00 0.00 30.24 26.37 3dk4 n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3dk4 s ASN 320 N -2.66 7.24 1.07 1.08 0.01 -1.26 -1.65 114.94 118.77 3dk4 s ASN 320 Ca 0.00 2.12 -0.09 0.00 -0.71 0.00 0.00 52.86 54.18 3dk4 s ASN 320 Cb 0.00 -2.61 0.13 0.00 0.41 0.00 0.00 41.25 39.19 3dk4 s ASN 320 CO 0.00 -0.24 0.58 0.35 -1.51 0.00 0.00 177.10 176.28 3dk4 n THR 321 N 2.31 0.00 1.81 1.60 -2.24 -0.69 -1.61 114.28 115.45 3dk4 n THR 321 Ca 0.03 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 3dk4 n THR 321 Cb 0.46 -1.36 0.82 0.00 -2.10 0.00 0.00 70.33 68.14 3dk4 n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dk4 n ASN 322 N -3.72 0.00 -4.25 3.42 6.94 -1.26 -4.74 115.26 111.65 3dk4 n ASN 322 Ca 0.08 -0.95 -0.33 0.00 -0.02 0.00 0.00 54.58 53.36 3dk4 n ASN 322 Cb 0.29 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.55 3dk4 n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dk4 s VAL 323 N -2.00 2.66 0.20 3.53 1.01 -1.26 -5.01 120.40 119.53 3dk4 s VAL 323 Ca 0.41 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.31 3dk4 s VAL 323 Cb 0.19 -2.14 -0.14 0.00 0.00 0.00 0.00 36.38 34.29 3dk4 s VAL 323 CO 0.32 0.51 1.35 0.29 0.00 0.00 0.00 175.10 177.56 3dk4 n LYS 324 N 4.23 1.71 -0.93 2.72 4.01 -1.26 -1.91 118.16 126.73 3dk4 n LYS 324 Ca -0.19 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 3dk4 n LYS 324 Cb 0.51 -2.23 0.00 0.00 -0.51 0.00 0.00 35.03 32.80 3dk4 n LYS 324 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dk4 n GLY 325 N 2.30 0.77 3.13 0.72 0.00 -1.26 -4.97 105.19 105.89 3dk4 n GLY 325 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3dk4 n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk4 s ILE 326 N -3.03 1.48 0.28 -0.61 1.01 -0.80 -0.79 121.20 118.73 3dk4 s ILE 326 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3dk4 s ILE 326 Cb 0.00 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 3dk4 s ILE 326 CO 0.00 0.43 0.00 -0.31 0.00 0.00 0.00 174.94 175.06 3dk4 s TYR 327 N 0.18 1.82 -0.09 3.97 1.51 -0.27 -1.71 117.35 122.76 3dk4 s TYR 327 Ca -0.08 -0.87 -0.12 0.00 -1.01 0.00 0.00 57.07 54.99 3dk4 s TYR 327 Cb -0.13 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3dk4 s TYR 327 CO 0.03 0.07 0.32 0.00 -1.11 0.00 0.00 175.55 174.86 3dk4 s ALA 328 N -3.26 -0.80 0.09 3.71 0.00 -0.66 -0.64 121.76 120.20 3dk4 s ALA 328 Ca 0.32 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 3dk4 s ALA 328 Cb 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3dk4 s ALA 328 CO 0.12 -0.19 0.01 0.14 0.00 0.00 0.00 175.76 175.84 3dk4 s VAL 329 N -0.34 0.17 0.00 0.00 -7.23 -0.96 -4.71 120.40 107.32 3dk4 s VAL 329 Ca -0.05 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3dk4 s VAL 329 Cb -0.03 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3dk4 s VAL 329 CO 0.02 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3dk4 n GLY 330 N 0.01 -1.29 0.31 2.32 0.00 -1.26 -4.27 105.19 101.02 3dk4 n GLY 330 Ca -0.10 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.79 3dk4 n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dk4 h ASP 331 N 1.59 0.00 0.24 1.61 3.45 -1.89 -1.89 116.42 119.53 3dk4 h ASP 331 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3dk4 h ASP 331 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3dk4 h ASP 331 CO 0.00 0.00 0.00 1.62 -1.57 0.00 0.00 179.24 179.29 3dk4 h VAL 332 N 0.00 0.00 -0.00 -1.35 3.04 -1.74 -1.18 116.25 115.01 3dk4 h VAL 332 Ca 0.06 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3dk4 h VAL 332 Cb 0.32 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3dk4 h VAL 332 CO -0.00 0.00 -0.59 0.00 -1.01 0.00 0.00 177.57 175.97 3dk4 n GLY 334 N 1.48 0.60 3.19 0.00 0.00 -0.45 -4.73 105.19 105.28 3dk4 n GLY 334 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3dk4 n GLY 334 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dk4 s LYS 335 N -0.04 3.11 -0.65 1.61 2.20 -1.26 -4.84 119.74 119.86 3dk4 s LYS 335 Ca 0.00 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 3dk4 s LYS 335 Cb 0.00 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3dk4 s LYS 335 CO 0.00 -0.12 0.67 0.00 -0.36 0.00 0.00 175.35 175.53 3dk4 n ALA 336 N 4.43 -2.65 -2.30 3.13 0.00 -1.26 -4.81 120.51 117.05 3dk4 n ALA 336 Ca -0.20 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 3dk4 n ALA 336 Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3dk4 n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dk4 n LEU 337 N -1.37 5.97 -4.07 0.00 4.77 -1.26 -4.74 117.00 116.29 3dk4 n LEU 337 Ca 0.02 -4.21 -0.13 0.00 -0.03 0.00 0.00 56.01 51.66 3dk4 n LEU 337 Cb 0.50 -1.65 -0.11 0.00 -2.33 0.00 0.00 43.42 39.83 3dk4 n LEU 337 CO 0.52 0.80 -0.40 -0.76 -1.33 0.00 0.00 177.39 176.22 3dk4 s LEU 338 N 2.31 2.28 0.08 2.23 1.43 -1.26 -5.06 118.68 120.69 3dk4 s LEU 338 Ca 0.47 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 3dk4 s LEU 338 Cb 0.07 -0.15 -0.12 0.00 0.03 0.00 0.00 46.19 46.03 3dk4 s LEU 338 CO -0.00 -0.23 1.66 0.74 0.23 0.00 0.00 176.35 178.74 3dk4 h THR 339 N 4.34 1.10 0.00 5.49 2.02 -2.00 -2.56 112.91 121.30 3dk4 h THR 339 Ca -0.36 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3dk4 h THR 339 Cb 1.20 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3dk4 h THR 339 CO 0.43 0.09 -0.08 -0.65 0.37 0.00 0.00 175.52 175.68 3dk4 h PRO 340 N 0.05 0.00 -0.03 6.66 0.11 -1.98 -1.42 132.00 135.39 3dk4 h PRO 340 Ca 0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 3dk4 h PRO 340 Cb 0.10 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.22 3dk4 h PRO 340 CO -0.00 0.08 -0.36 0.28 -0.21 0.00 0.00 178.00 177.78 3dk4 h VAL 341 N 0.00 1.46 -0.58 3.15 2.07 -1.80 -0.43 116.25 120.13 3dk4 h VAL 341 Ca -0.00 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.69 3dk4 h VAL 341 Cb 0.28 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 3dk4 h VAL 341 CO 0.01 0.53 0.32 0.00 0.02 0.00 0.00 177.57 178.46 3dk4 h ALA 342 N 0.35 0.76 0.07 1.67 0.00 -1.05 -0.18 119.26 120.87 3dk4 h ALA 342 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dk4 h ALA 342 Cb 1.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dk4 h ALA 342 CO 0.07 0.01 -0.03 0.82 0.00 0.00 0.00 179.25 180.12 3dk4 h ILE 343 N 0.62 0.97 -0.53 0.00 2.04 -1.27 -0.72 117.51 118.63 3dk4 h ILE 343 Ca 0.25 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 3dk4 h ILE 343 Cb 0.11 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3dk4 h ILE 343 CO -0.15 0.03 0.08 0.00 0.00 0.00 0.00 178.15 178.11 3dk4 h ALA 344 N 0.77 0.71 -0.65 1.87 0.00 -0.85 0.27 119.26 121.37 3dk4 h ALA 344 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3dk4 h ALA 344 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3dk4 h ALA 344 CO 0.02 0.45 0.19 0.00 0.00 0.00 0.00 179.25 179.91 3dk4 h ALA 345 N 0.98 0.86 -0.55 0.00 0.00 -1.00 -0.22 119.26 119.32 3dk4 h ALA 345 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dk4 h ALA 345 Cb 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3dk4 h ALA 345 CO 0.01 0.55 0.30 0.78 0.00 0.00 0.00 179.25 180.89 3dk4 h GLY 346 N 0.95 0.83 0.97 0.00 0.00 -0.83 -1.60 103.07 103.40 3dk4 h GLY 346 Ca 0.21 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3dk4 h GLY 346 CO -0.00 0.36 -0.21 3.21 0.00 0.00 0.00 176.54 179.89 3dk4 h ARG 347 N 0.75 0.72 -0.64 4.80 3.08 -0.74 -2.04 114.38 120.30 3dk4 h ARG 347 Ca 0.20 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3dk4 h ARG 347 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3dk4 h ARG 347 CO -0.03 0.95 0.34 0.87 -1.07 0.00 0.00 179.97 181.03 3dk4 h LYS 348 N 0.49 0.89 -0.50 0.04 1.79 -0.96 -1.75 116.57 116.56 3dk4 h LYS 348 Ca 0.07 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 3dk4 h LYS 348 Cb 0.77 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3dk4 h LYS 348 CO 0.06 0.66 0.03 1.25 -1.08 0.00 0.00 179.45 180.37 3dk4 h LEU 349 N 0.90 0.84 -0.69 2.94 5.85 -1.21 -1.59 115.31 122.35 3dk4 h LEU 349 Ca 0.23 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3dk4 h LEU 349 Cb 0.04 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3dk4 h LEU 349 CO -0.04 0.93 0.43 0.00 -0.34 0.00 0.00 178.44 179.42 3dk4 h ALA 350 N 0.95 0.90 -0.28 1.25 0.00 -0.76 -0.49 119.26 120.84 3dk4 h ALA 350 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3dk4 h ALA 350 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dk4 h ALA 350 CO 0.02 0.19 -0.20 0.45 0.00 0.00 0.00 179.25 179.71 3dk4 h HIS 351 N 0.83 0.56 -0.05 0.00 3.86 -1.15 0.70 115.15 119.90 3dk4 h HIS 351 Ca 0.28 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3dk4 h HIS 351 Cb 0.04 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3dk4 h HIS 351 CO -0.05 0.68 0.03 -0.09 0.86 0.00 0.00 177.93 179.35 3dk4 h ARG 352 N 0.45 0.07 0.02 2.45 2.43 -0.52 -0.59 114.38 118.70 3dk4 h ARG 352 Ca 0.07 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 3dk4 h ARG 352 Cb 0.61 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3dk4 h ARG 352 CO 0.04 0.16 -1.03 -0.07 -1.51 0.00 0.00 179.97 177.56 3dk4 h LEU 353 N -0.03 0.70 -0.08 3.80 3.38 -0.96 -2.52 115.31 119.59 3dk4 h LEU 353 Ca 0.02 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3dk4 h LEU 353 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3dk4 h LEU 353 CO -0.00 1.38 -0.31 0.49 0.09 0.00 0.00 178.44 180.09 3dk4 n PHE 354 N -3.78 0.00 0.26 1.13 3.72 0.23 -4.31 117.46 114.72 3dk4 n PHE 354 Ca -0.09 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.35 3dk4 n PHE 354 Cb 0.88 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.47 3dk4 n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3dk4 n GLU 355 N -1.06 0.64 -2.33 -1.08 2.13 -0.28 -4.95 120.64 113.70 3dk4 n GLU 355 Ca 0.02 -1.16 -0.18 0.00 0.66 0.00 0.00 57.16 56.50 3dk4 n GLU 355 Cb 0.11 -1.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.65 3dk4 n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3dk4 n TYR 356 N 0.43 -0.84 -2.90 4.31 4.01 -0.88 -4.93 117.16 116.35 3dk4 n TYR 356 Ca 0.05 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.36 3dk4 n TYR 356 Cb 0.24 -3.56 -0.03 0.00 -0.31 0.00 0.00 39.34 35.68 3dk4 n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3dk4 s LYS 357 N -4.88 3.44 0.57 -0.72 -0.14 -1.08 -4.89 119.74 112.04 3dk4 s LYS 357 Ca 0.00 -1.46 0.31 0.00 -1.36 0.00 0.00 55.97 53.46 3dk4 s LYS 357 Cb 0.00 -4.72 1.72 0.00 -1.68 0.00 0.00 37.83 33.16 3dk4 s LYS 357 CO 0.00 -1.79 2.18 1.05 -0.76 0.00 0.00 175.35 176.03 3dk4 h GLU 358 N 9.09 0.00 -0.50 1.68 9.09 -1.90 -1.57 114.58 130.47 3dk4 h GLU 358 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3dk4 h GLU 358 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 3dk4 h GLU 358 CO 1.14 0.05 0.00 -0.40 0.05 0.00 0.00 179.01 179.85 3dk4 n ASP 359 N -3.61 3.02 -4.64 3.06 5.68 -1.26 -4.92 116.55 113.88 3dk4 n ASP 359 Ca -0.02 -1.97 -0.43 0.00 -0.50 0.00 0.00 54.79 51.87 3dk4 n ASP 359 Cb 0.16 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 3dk4 n ASP 359 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3dk4 s SER 360 N -1.16 6.80 0.19 -1.12 0.15 -0.59 -4.97 113.70 113.01 3dk4 s SER 360 Ca 0.38 1.21 -0.22 0.00 0.70 0.00 0.00 55.95 58.02 3dk4 s SER 360 Cb 0.20 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 3dk4 s SER 360 CO 0.27 -0.97 0.63 -1.59 1.20 0.00 0.00 173.24 172.78 3dk4 s LYS 361 N 3.90 1.42 -0.06 5.44 -2.85 -1.26 -4.65 119.74 121.68 3dk4 s LYS 361 Ca 0.52 -0.64 -0.22 0.00 -1.00 0.00 0.00 55.97 54.64 3dk4 s LYS 361 Cb -0.16 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3dk4 s LYS 361 CO 0.19 -0.63 0.64 -1.17 0.10 0.00 0.00 175.35 174.48 3dk4 s LEU 362 N -2.80 4.33 -0.25 2.77 2.96 -1.26 -4.99 118.68 119.44 3dk4 s LEU 362 Ca 0.04 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.78 3dk4 s LEU 362 Cb -0.02 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.68 3dk4 s LEU 362 CO -0.07 -0.05 1.18 -0.62 -1.32 0.00 0.00 176.35 175.47 3dk4 s ASP 363 N 0.58 6.91 0.00 3.68 -1.08 -1.26 -4.94 116.67 120.57 3dk4 s ASP 363 Ca 0.34 1.37 0.27 0.00 -0.52 0.00 0.00 52.55 54.01 3dk4 s ASP 363 Cb -0.17 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 39.98 3dk4 s ASP 363 CO 0.17 -0.84 1.84 -1.22 0.52 0.00 0.00 175.17 175.63 3dk4 n TYR 364 N 6.84 0.03 -3.03 -5.34 4.02 -1.26 -4.83 117.16 113.59 3dk4 n TYR 364 Ca 0.13 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 3dk4 n TYR 364 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 3dk4 n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3dk4 s ASN 365 N -1.91 6.88 -1.55 7.72 0.01 -1.26 -4.27 114.94 120.56 3dk4 s ASN 365 Ca 0.39 1.43 -0.05 0.00 -0.71 0.00 0.00 52.86 53.92 3dk4 s ASN 365 Cb 0.20 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.44 3dk4 s ASN 365 CO 0.32 -0.21 0.60 0.59 -1.51 0.00 0.00 177.10 176.89 3dk4 n ASN 366 N -0.26 -6.03 -4.67 -1.22 5.03 -1.26 -4.98 115.26 101.87 3dk4 n ASN 366 Ca 0.04 -0.29 -0.43 0.00 0.87 0.00 0.00 54.58 54.77 3dk4 n ASN 366 Cb 0.53 -4.87 -0.02 0.00 -1.02 0.00 0.00 39.78 34.39 3dk4 n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dk4 s ILE 367 N -3.17 4.53 0.42 2.41 1.01 -1.26 -4.77 121.20 120.37 3dk4 s ILE 367 Ca 0.31 1.83 -0.20 0.00 0.00 0.00 0.00 60.65 62.59 3dk4 s ILE 367 Cb -0.14 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 3dk4 s ILE 367 CO 0.38 -0.08 0.91 -2.16 0.00 0.00 0.00 174.94 173.99 3dk4 s PRO 368 N 2.73 4.17 -0.01 2.79 0.04 -1.26 -4.52 135.00 138.94 3dk4 s PRO 368 Ca 0.50 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.61 3dk4 s PRO 368 Cb -0.19 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3dk4 s PRO 368 CO 0.14 -0.02 -0.14 0.99 0.04 0.00 0.00 177.00 178.02 3dk4 s THR 369 N -2.18 1.10 -0.05 1.26 2.01 -0.48 -5.02 115.64 112.28 3dk4 s THR 369 Ca 0.60 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3dk4 s THR 369 Cb -0.09 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 3dk4 s THR 369 CO 0.15 0.31 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.51 3dk4 s VAL 370 N -0.32 2.63 -0.20 3.82 1.01 -1.26 -1.23 120.40 124.85 3dk4 s VAL 370 Ca 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3dk4 s VAL 370 Cb -0.05 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3dk4 s VAL 370 CO -0.00 0.58 0.01 -0.69 0.00 0.00 0.00 175.10 174.99 3dk4 s VAL 371 N -0.47 4.07 -1.44 2.92 1.01 -0.38 -4.98 120.40 121.12 3dk4 s VAL 371 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 3dk4 s VAL 371 Cb -0.12 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.47 3dk4 s VAL 371 CO 0.01 0.43 2.51 0.49 0.00 0.00 0.00 175.10 178.54 3dk4 n PHE 372 N 4.14 2.67 -1.20 5.22 3.72 -1.26 -1.08 117.46 129.67 3dk4 n PHE 372 Ca -0.17 -2.93 -0.02 0.00 -0.05 0.00 0.00 57.45 54.28 3dk4 n PHE 372 Cb 0.52 -2.15 0.01 0.00 -0.94 0.00 0.00 39.48 36.92 3dk4 n PHE 372 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dk4 n SER 373 N 3.07 0.02 -3.85 4.37 2.88 -1.26 -4.67 113.62 114.18 3dk4 n SER 373 Ca 0.64 -1.04 -0.30 0.00 -1.33 0.00 0.00 58.87 56.84 3dk4 n SER 373 Cb 0.27 -0.07 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 3dk4 n SER 373 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3dk4 s HIS 374 N -1.07 2.57 0.84 0.66 0.09 -1.26 -2.71 115.29 114.42 3dk4 s HIS 374 Ca 0.05 -2.31 -0.12 0.00 -0.00 0.00 0.00 55.06 52.68 3dk4 s HIS 374 Cb -0.00 -2.23 0.10 0.00 -0.00 0.00 0.00 32.58 30.45 3dk4 s HIS 374 CO 0.04 -0.90 1.15 -1.25 -0.00 0.00 0.00 174.74 173.78 3dk4 s PRO 375 N 1.23 1.69 0.74 8.40 0.04 -1.26 -4.78 135.00 141.06 3dk4 s PRO 375 Ca 0.11 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 3dk4 s PRO 375 Cb -0.18 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.49 3dk4 s PRO 375 CO -0.17 -1.81 1.10 -1.25 0.04 0.00 0.00 177.00 174.92 3dk4 s PRO 376 N -5.43 2.37 -0.07 0.56 0.04 -1.10 -4.52 135.00 126.85 3dk4 s PRO 376 Ca 0.62 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3dk4 s PRO 376 Cb -0.13 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3dk4 s PRO 376 CO 0.51 -1.57 -0.07 0.42 0.04 0.00 0.00 177.00 176.33 3dk4 s ILE 377 N -2.69 3.71 -0.00 0.56 1.01 -0.24 -1.12 121.20 122.42 3dk4 s ILE 377 Ca 0.64 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3dk4 s ILE 377 Cb -0.19 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3dk4 s ILE 377 CO 0.51 0.59 -0.14 -0.83 0.00 0.00 0.00 174.94 175.07 3dk4 s GLY 378 N -0.73 0.71 -0.05 6.18 0.00 0.02 -1.25 107.32 112.19 3dk4 s GLY 378 Ca 0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 3dk4 s GLY 378 CO 0.02 -0.54 0.26 -1.08 0.00 0.00 0.00 173.10 171.75 3dk4 s THR 379 N -0.39 0.04 -0.09 0.90 -1.32 -0.37 -0.89 115.64 113.51 3dk4 s THR 379 Ca 0.05 -0.30 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 3dk4 s THR 379 Cb -0.06 -0.48 0.03 0.00 -1.51 0.00 0.00 72.50 70.48 3dk4 s THR 379 CO -0.00 -0.16 0.30 0.54 -2.21 0.00 0.00 174.62 173.09 3dk4 s VAL 380 N -0.65 0.02 0.00 5.08 0.11 -0.37 -1.39 120.40 123.20 3dk4 s VAL 380 Ca -0.07 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3dk4 s VAL 380 Cb -0.04 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3dk4 s VAL 380 CO 0.02 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 3dk4 n GLY 381 N 2.51 -1.51 3.76 6.54 0.00 -1.26 -1.15 105.19 114.07 3dk4 n GLY 381 Ca -0.15 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 3dk4 n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dk4 s LEU 382 N 0.00 4.60 0.90 0.99 1.43 0.15 -4.88 118.68 121.88 3dk4 s LEU 382 Ca 0.00 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3dk4 s LEU 382 Cb 0.00 -3.46 0.14 0.00 0.03 0.00 0.00 46.19 42.90 3dk4 s LEU 382 CO 0.00 0.15 1.11 0.42 0.23 0.00 0.00 176.35 178.26 3dk4 s THR 383 N -0.98 2.48 0.23 5.49 -4.23 -1.26 -4.14 115.64 113.23 3dk4 s THR 383 Ca 0.39 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 3dk4 s THR 383 Cb -0.24 -2.37 0.18 0.00 1.34 0.00 0.00 72.50 71.41 3dk4 s THR 383 CO 0.29 -0.20 1.81 -0.08 -0.54 0.00 0.00 174.62 175.90 3dk4 h GLU 384 N -1.72 0.73 -0.40 3.99 4.81 -1.97 -0.62 114.58 119.40 3dk4 h GLU 384 Ca -0.46 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 3dk4 h GLU 384 Cb 1.27 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3dk4 h GLU 384 CO 0.47 0.48 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.57 3dk4 h ASP 385 N 0.75 0.82 -0.70 1.04 3.45 -1.99 -0.33 116.42 119.46 3dk4 h ASP 385 Ca 0.35 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 3dk4 h ASP 385 Cb 0.27 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3dk4 h ASP 385 CO -0.22 1.01 0.29 -0.33 -1.57 0.00 0.00 179.24 178.43 3dk4 h GLU 386 N 0.70 1.04 -0.60 3.56 5.08 -1.79 -1.60 114.58 120.97 3dk4 h GLU 386 Ca 0.10 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3dk4 h GLU 386 Cb 0.74 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3dk4 h GLU 386 CO 0.06 0.85 0.26 0.00 -1.00 0.00 0.00 179.01 179.18 3dk4 h ALA 387 N 1.14 0.77 -0.80 3.43 0.00 -0.85 -1.03 119.26 121.91 3dk4 h ALA 387 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dk4 h ALA 387 Cb 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3dk4 h ALA 387 CO -0.02 0.37 0.46 0.82 0.00 0.00 0.00 179.25 180.88 3dk4 h ILE 388 N 0.82 1.23 -0.51 0.00 2.04 -0.85 0.64 117.51 120.89 3dk4 h ILE 388 Ca 0.20 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3dk4 h ILE 388 Cb 0.17 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3dk4 h ILE 388 CO -0.02 0.25 0.22 -0.74 0.00 0.00 0.00 178.15 177.86 3dk4 h HIS 389 N 1.11 0.75 -0.10 1.37 2.76 -0.96 0.87 115.15 120.96 3dk4 h HIS 389 Ca 0.29 -0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 58.24 3dk4 h HIS 389 Cb -0.00 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 28.74 3dk4 h HIS 389 CO -0.00 0.61 -0.60 -0.22 -1.30 0.00 0.00 177.93 176.42 3dk4 h LYS 390 N 0.68 0.58 0.00 5.26 3.64 -0.86 -3.38 116.57 122.49 3dk4 h LYS 390 Ca 0.17 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3dk4 h LYS 390 Cb 0.16 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dk4 h LYS 390 CO -0.02 1.12 -1.89 0.66 -2.27 0.00 0.00 179.45 177.05 3dk4 n TYR 391 N -4.15 0.00 0.00 1.91 4.02 0.19 -5.10 117.16 114.03 3dk4 n TYR 391 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3dk4 n TYR 391 Cb 0.65 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3dk4 n TYR 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dk4 n GLY 392 N 1.38 1.59 0.32 2.72 0.00 0.30 -4.54 105.19 106.96 3dk4 n GLY 392 Ca -0.03 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.48 3dk4 n GLY 392 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dk4 h ILE 393 N 0.00 1.06 0.00 -0.61 2.10 -1.90 -0.47 117.51 117.68 3dk4 h ILE 393 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 3dk4 h ILE 393 Cb 0.00 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.17 3dk4 h ILE 393 CO 0.00 0.10 0.00 -0.62 -1.08 0.00 0.00 178.15 176.55 3dk4 n GLU 394 N -4.47 0.37 -0.23 2.19 -0.58 -1.26 -3.14 120.64 113.51 3dk4 n GLU 394 Ca 0.05 0.03 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 3dk4 n GLU 394 Cb 0.14 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.68 3dk4 n GLU 394 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dk4 n ASN 395 N -1.29 3.08 -4.21 1.62 3.02 -0.19 -4.95 115.26 112.33 3dk4 n ASN 395 Ca 0.13 -2.40 -0.29 0.00 -0.03 0.00 0.00 54.58 51.99 3dk4 n ASN 395 Cb 0.22 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 3dk4 n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dk4 s VAL 396 N -1.71 1.79 -0.03 2.41 1.01 -1.18 -0.84 120.40 121.84 3dk4 s VAL 396 Ca 0.27 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3dk4 s VAL 396 Cb 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3dk4 s VAL 396 CO 0.11 0.50 -0.10 -0.75 0.00 0.00 0.00 175.10 174.86 3dk4 s LYS 397 N -0.07 1.06 0.08 2.72 2.20 -0.25 -5.00 119.74 120.49 3dk4 s LYS 397 Ca -0.04 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3dk4 s LYS 397 Cb -0.13 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 3dk4 s LYS 397 CO 0.03 0.13 -0.05 0.95 -0.36 0.00 0.00 175.35 176.05 3dk4 s THR 398 N 0.17 3.71 -0.01 3.43 -4.23 -1.26 -0.80 115.64 116.66 3dk4 s THR 398 Ca -0.03 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 3dk4 s THR 398 Cb -0.09 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3dk4 s THR 398 CO 0.01 0.16 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.74 3dk4 s TYR 399 N -1.22 1.81 0.13 3.99 1.51 -0.16 -4.99 117.35 118.41 3dk4 s TYR 399 Ca 0.23 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 3dk4 s TYR 399 Cb -0.11 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 3dk4 s TYR 399 CO 0.15 -0.01 0.29 -1.54 -1.11 0.00 0.00 175.55 173.32 3dk4 s SER 400 N -0.59 -0.00 0.08 2.29 1.04 -1.26 -0.55 113.70 114.70 3dk4 s SER 400 Ca 0.08 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 3dk4 s SER 400 Cb -0.08 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3dk4 s SER 400 CO -0.00 -0.83 0.23 0.28 0.98 0.00 0.00 173.24 173.89 3dk4 s THR 401 N -3.89 0.12 -0.02 2.02 -1.32 -0.48 -4.91 115.64 107.16 3dk4 s THR 401 Ca 0.09 -0.99 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 3dk4 s THR 401 Cb 0.03 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.85 3dk4 s THR 401 CO -0.07 -0.55 -0.02 -0.55 -2.21 0.00 0.00 174.62 171.23 3dk4 s SER 402 N -2.60 0.42 0.21 8.08 0.15 -1.26 -1.51 113.70 117.19 3dk4 s SER 402 Ca 0.01 -0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 3dk4 s SER 402 Cb 0.03 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3dk4 s SER 402 CO -0.09 -0.04 0.48 0.72 1.20 0.00 0.00 173.24 175.51 3dk4 s PHE 403 N 0.56 0.09 -0.29 3.44 -0.71 -0.41 -5.00 117.98 115.66 3dk4 s PHE 403 Ca -0.06 -0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 55.24 3dk4 s PHE 403 Cb -0.09 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 3dk4 s PHE 403 CO -0.01 -0.91 0.31 0.99 -1.34 0.00 0.00 175.22 174.26 3dk4 s THR 404 N -3.93 5.21 0.52 -4.49 2.01 -1.26 -0.51 115.64 113.19 3dk4 s THR 404 Ca 0.14 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.21 3dk4 s THR 404 Cb -0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3dk4 s THR 404 CO 0.01 0.11 1.04 -2.65 -0.69 0.00 0.00 174.62 172.44 3dk4 n PRO 405 N 5.26 1.23 0.30 4.92 -0.02 -1.26 -4.87 135.00 140.56 3dk4 n PRO 405 Ca -0.10 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.00 3dk4 n PRO 405 Cb 0.51 -2.18 0.97 0.00 -0.02 0.00 0.00 33.50 32.78 3dk4 n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3dk4 h MET 406 N 1.09 0.00 -0.95 -0.52 4.05 -1.97 -0.69 114.93 115.94 3dk4 h MET 406 Ca -0.47 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.18 3dk4 h MET 406 Cb 1.34 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 32.02 3dk4 h MET 406 CO 0.54 0.02 0.49 -0.92 0.23 0.00 0.00 176.91 177.28 3dk4 h TYR 407 N 0.00 0.83 -0.14 1.39 3.20 -2.01 -1.09 116.97 119.16 3dk4 h TYR 407 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3dk4 h TYR 407 Cb 0.10 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3dk4 h TYR 407 CO 0.00 0.01 0.00 0.72 -1.64 0.00 0.00 178.16 177.25 3dk4 n HIS 408 N -4.96 0.17 0.17 -3.82 8.25 -0.27 -4.19 115.22 110.58 3dk4 n HIS 408 Ca 0.24 -0.09 0.16 0.00 -0.26 0.00 0.00 57.72 57.78 3dk4 n HIS 408 Cb 0.70 0.00 0.76 0.00 1.12 0.00 0.00 29.99 32.57 3dk4 n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dk4 h ALA 409 N 4.00 2.00 -0.09 -1.41 0.00 -1.29 -2.77 119.26 119.70 3dk4 h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dk4 h ALA 409 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dk4 h ALA 409 CO 0.00 -0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.28 3dk4 n VAL 410 N -4.11 0.69 -4.17 0.00 0.24 -1.26 -5.04 118.33 104.69 3dk4 n VAL 410 Ca 0.02 -0.85 -0.29 0.00 -2.04 0.00 0.00 64.34 61.18 3dk4 n VAL 410 Cb 0.33 0.68 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 3dk4 n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dk4 s THR 411 N -0.80 3.77 0.15 3.34 -4.23 -1.05 -4.76 115.64 112.06 3dk4 s THR 411 Ca 0.08 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 3dk4 s THR 411 Cb 0.04 -2.81 -0.17 0.00 1.34 0.00 0.00 72.50 70.90 3dk4 s THR 411 CO 0.06 0.08 1.34 0.11 -0.54 0.00 0.00 174.62 175.67 3dk4 h LYS 412 N 3.36 0.08 -6.88 3.99 1.57 -1.96 -3.44 116.57 113.28 3dk4 h LYS 412 Ca -0.48 -0.11 -0.47 0.00 -1.87 0.00 0.00 60.65 57.72 3dk4 h LYS 412 Cb 1.17 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3dk4 h LYS 412 CO 0.57 0.95 0.35 0.50 -0.57 0.00 0.00 179.45 181.25 3dk4 s ARG 413 N -2.98 4.58 0.03 3.15 3.52 -1.26 -5.07 118.95 120.91 3dk4 s ARG 413 Ca -0.01 1.34 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 3dk4 s ARG 413 Cb 0.10 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 3dk4 s ARG 413 CO 0.82 0.27 -0.11 0.15 -0.81 0.00 0.00 175.30 175.62 3dk4 s LYS 414 N -2.04 0.78 0.13 5.12 -0.14 -1.26 -4.92 119.74 117.41 3dk4 s LYS 414 Ca 0.50 -0.62 0.06 0.00 -1.36 0.00 0.00 55.97 54.55 3dk4 s LYS 414 Cb -0.19 -0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 35.18 3dk4 s LYS 414 CO 0.24 0.18 -0.13 0.95 -0.76 0.00 0.00 175.35 175.83 3dk4 s THR 415 N -0.74 1.33 0.38 2.17 -4.23 -1.26 -5.03 115.64 108.25 3dk4 s THR 415 Ca 0.00 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 3dk4 s THR 415 Cb -0.07 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 3dk4 s THR 415 CO 0.01 -0.49 0.34 -0.75 -0.54 0.00 0.00 174.62 173.19 3dk4 s LYS 416 N -2.93 2.63 -0.09 3.99 2.20 -1.26 -4.38 119.74 119.89 3dk4 s LYS 416 Ca 0.11 -1.41 0.03 0.00 -0.36 0.00 0.00 55.97 54.33 3dk4 s LYS 416 Cb -0.03 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3dk4 s LYS 416 CO 0.03 -0.06 -0.17 0.00 -0.36 0.00 0.00 175.35 174.79 3dk4 s VAL 418 N 0.69 1.86 0.00 0.00 -7.23 -0.30 -1.29 120.40 114.14 3dk4 s VAL 418 Ca -0.13 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3dk4 s VAL 418 Cb -0.16 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.22 3dk4 s VAL 418 CO 0.03 0.49 -0.01 -0.04 -0.31 0.00 0.00 175.10 175.27 3dk4 s MET 419 N -0.64 0.08 -0.03 4.82 -1.94 -0.57 -1.32 119.30 119.69 3dk4 s MET 419 Ca 0.09 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3dk4 s MET 419 Cb -0.09 0.03 0.03 0.00 2.01 0.00 0.00 34.83 36.80 3dk4 s MET 419 CO -0.01 -0.01 -0.01 0.21 -0.01 0.00 0.00 175.02 175.19 3dk4 s LYS 420 N -0.36 0.42 -0.17 2.03 2.20 0.38 -1.38 119.74 122.86 3dk4 s LYS 420 Ca -0.04 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 3dk4 s LYS 420 Cb -0.02 -0.57 -0.02 0.00 -1.51 0.00 0.00 37.83 35.71 3dk4 s LYS 420 CO -0.00 -0.13 -0.07 1.41 -0.36 0.00 0.00 175.35 176.20 3dk4 s MET 421 N 1.03 3.46 -0.25 4.03 -2.45 0.28 -1.24 119.30 124.16 3dk4 s MET 421 Ca -0.10 -0.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 3dk4 s MET 421 Cb -0.14 -2.85 -0.03 0.00 1.25 0.00 0.00 34.83 33.06 3dk4 s MET 421 CO -0.01 0.06 0.08 0.08 1.05 0.00 0.00 175.02 176.28 3dk4 s VAL 422 N 0.79 4.48 -0.01 10.11 1.01 0.08 -0.98 120.40 135.88 3dk4 s VAL 422 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3dk4 s VAL 422 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3dk4 s VAL 422 CO 0.02 0.34 -0.23 0.00 0.00 0.00 0.00 175.10 175.22 3dk4 s ALA 424 N -0.70 2.38 0.21 0.00 0.00 0.06 -1.09 121.76 122.62 3dk4 s ALA 424 Ca 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3dk4 s ALA 424 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3dk4 s ALA 424 CO 0.00 0.53 0.00 0.09 0.00 0.00 0.00 175.76 176.39 3dk4 n ASN 425 N 2.41 -5.32 -0.28 0.00 5.03 -0.02 -1.33 115.26 115.75 3dk4 n ASN 425 Ca -0.17 0.36 0.03 0.00 0.87 0.00 0.00 54.58 55.67 3dk4 n ASN 425 Cb 0.52 -2.71 0.23 0.00 -1.02 0.00 0.00 39.78 36.80 3dk4 n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3dk4 h LYS 426 N -0.83 1.02 0.00 3.52 3.64 -1.98 -0.70 116.57 121.24 3dk4 h LYS 426 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3dk4 h LYS 426 Cb 0.82 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3dk4 h LYS 426 CO 0.01 0.68 0.00 -0.85 -2.27 0.00 0.00 179.45 177.01 3dk4 n GLU 427 N -4.46 0.16 -3.65 1.90 0.28 -1.26 -4.92 120.64 108.69 3dk4 n GLU 427 Ca 0.12 0.11 -0.22 0.00 -0.16 0.00 0.00 57.16 57.01 3dk4 n GLU 427 Cb 0.14 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.54 3dk4 n GLU 427 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dk4 n GLU 428 N -1.39 -4.49 -1.68 3.44 1.02 -0.27 -4.31 120.64 112.96 3dk4 n GLU 428 Ca 0.08 0.63 -0.45 0.00 -0.02 0.00 0.00 57.16 57.40 3dk4 n GLU 428 Cb 0.21 -5.16 -0.03 0.00 -0.02 0.00 0.00 31.44 26.43 3dk4 n GLU 428 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3dk4 n LYS 429 N -4.18 2.29 -2.65 3.49 4.81 -0.44 -0.92 118.16 120.55 3dk4 n LYS 429 Ca -0.27 0.82 -0.42 0.00 -0.87 0.00 0.00 58.31 57.57 3dk4 n LYS 429 Cb 0.67 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.10 3dk4 n LYS 429 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dk4 s VAL 430 N 0.72 4.08 -0.83 3.15 1.01 0.38 -0.76 120.40 128.14 3dk4 s VAL 430 Ca 0.75 0.61 0.18 0.00 0.00 0.00 0.00 61.98 63.52 3dk4 s VAL 430 Cb -0.63 -4.71 -0.20 0.00 0.00 0.00 0.00 36.38 30.85 3dk4 s VAL 430 CO 0.40 -1.37 0.76 1.33 0.00 0.00 0.00 175.10 176.22 3dk4 n VAL 431 N 6.47 0.00 -3.65 2.92 0.24 -0.13 -4.76 118.33 119.42 3dk4 n VAL 431 Ca 0.05 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 3dk4 n VAL 431 Cb 0.48 0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 3dk4 n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dk4 s GLY 432 N -2.72 -0.40 -0.04 7.63 0.00 -1.07 -0.67 107.32 110.04 3dk4 s GLY 432 Ca 0.07 1.19 0.01 0.00 0.00 0.00 0.00 44.72 45.99 3dk4 s GLY 432 CO 0.74 0.93 -0.06 -0.42 0.00 0.00 0.00 173.10 174.29 3dk4 s ILE 433 N -0.56 0.65 -0.03 0.90 1.01 -0.30 -0.74 121.20 122.14 3dk4 s ILE 433 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3dk4 s ILE 433 Cb -0.03 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.83 3dk4 s ILE 433 CO 0.04 0.24 -0.01 -1.00 0.00 0.00 0.00 174.94 174.22 3dk4 s HIS 434 N 0.70 0.32 0.10 3.97 3.76 -0.37 -1.23 115.29 122.55 3dk4 s HIS 434 Ca -0.10 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.57 3dk4 s HIS 434 Cb -0.13 -0.38 0.06 0.00 1.11 0.00 0.00 32.58 33.23 3dk4 s HIS 434 CO 0.01 -0.11 0.54 0.00 -0.85 0.00 0.00 174.74 174.33 3dk4 s MET 435 N 0.85 1.15 -0.02 1.40 0.23 -0.07 -0.47 119.30 122.36 3dk4 s MET 435 Ca -0.09 -0.39 -0.01 0.00 -1.03 0.00 0.00 55.69 54.18 3dk4 s MET 435 Cb -0.12 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.72 3dk4 s MET 435 CO -0.01 -0.46 0.04 -1.14 -2.03 0.00 0.00 175.02 171.42 3dk4 s GLN 436 N -3.16 0.01 0.00 3.16 0.74 -0.44 -0.80 119.66 119.18 3dk4 s GLN 436 Ca -0.01 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.52 3dk4 s GLN 436 Cb -0.00 -0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.01 3dk4 s GLN 436 CO -0.08 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 3dk4 n GLY 437 N 3.57 2.76 3.65 2.59 0.00 -0.28 -1.15 105.19 116.32 3dk4 n GLY 437 Ca -0.19 -0.98 -0.47 0.00 0.00 0.00 0.00 46.02 44.38 3dk4 n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dk4 n LEU 438 N 0.00 2.67 0.00 0.99 4.77 -1.26 -1.51 117.00 122.66 3dk4 n LEU 438 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 3dk4 n LEU 438 Cb 0.00 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 3dk4 n LEU 438 CO 0.00 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 3dk4 n GLY 439 N 2.91 2.09 0.26 -0.72 0.00 -1.26 -4.88 105.19 103.59 3dk4 n GLY 439 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3dk4 n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 h ASP 441 N 0.00 0.88 0.52 0.00 2.03 -1.84 -3.06 116.42 114.95 3dk4 h ASP 441 Ca -0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3dk4 h ASP 441 Cb 0.36 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3dk4 h ASP 441 CO 0.02 0.61 -0.96 -0.62 -1.03 0.00 0.00 179.24 177.26 3dk4 n GLU 442 N -4.57 0.30 0.08 4.15 -0.58 -0.88 -4.36 120.64 114.78 3dk4 n GLU 442 Ca 0.09 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 3dk4 n GLU 442 Cb 0.06 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.26 3dk4 n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3dk4 h MET 443 N 0.00 0.00 -0.22 3.49 4.05 -1.25 -3.39 114.93 117.61 3dk4 h MET 443 Ca 0.00 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 3dk4 h MET 443 Cb 0.74 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 3dk4 h MET 443 CO 0.00 0.90 -0.59 1.25 0.23 0.00 0.00 176.91 178.70 3dk4 h LEU 444 N 0.00 0.79 -0.53 3.39 5.85 -1.74 -3.35 115.31 119.71 3dk4 h LEU 444 Ca -0.01 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.37 3dk4 h LEU 444 Cb 1.64 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 3dk4 h LEU 444 CO 0.12 1.20 0.06 -0.61 -0.34 0.00 0.00 178.44 178.87 3dk4 h GLN 445 N 0.53 0.18 -0.53 1.25 5.75 -1.86 -0.13 115.11 120.30 3dk4 h GLN 445 Ca 0.00 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 3dk4 h GLN 445 Cb 1.17 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 3dk4 h GLN 445 CO 0.12 0.12 -0.02 0.78 -2.65 0.00 0.00 178.83 177.18 3dk4 h GLY 446 N 0.19 0.99 1.59 2.39 0.00 -1.87 -2.17 103.07 104.19 3dk4 h GLY 446 Ca 0.27 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3dk4 h GLY 446 CO -0.40 0.65 -0.04 0.74 0.00 0.00 0.00 176.54 177.50 3dk4 h PHE 447 N 0.84 0.53 -0.58 5.60 -1.00 -1.38 -2.32 116.94 118.64 3dk4 h PHE 447 Ca 0.15 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3dk4 h PHE 447 Cb 0.53 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 3dk4 h PHE 447 CO 0.03 0.55 0.17 0.00 -1.61 0.00 0.00 178.31 177.45 3dk4 h ALA 448 N 1.48 1.20 -0.27 2.45 0.00 -0.49 -0.13 119.26 123.50 3dk4 h ALA 448 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dk4 h ALA 448 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dk4 h ALA 448 CO 0.02 0.56 0.14 0.28 0.00 0.00 0.00 179.25 180.25 3dk4 h VAL 449 N 0.86 1.13 -0.63 0.00 2.07 -0.89 -0.22 116.25 118.56 3dk4 h VAL 449 Ca 0.19 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3dk4 h VAL 449 Cb 0.27 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3dk4 h VAL 449 CO -0.01 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.10 3dk4 h ALA 450 N 1.02 0.80 -0.42 1.67 0.00 -0.97 -1.67 119.26 119.69 3dk4 h ALA 450 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dk4 h ALA 450 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dk4 h ALA 450 CO -0.01 0.27 0.19 0.28 0.00 0.00 0.00 179.25 179.98 3dk4 h VAL 451 N 0.85 1.18 -0.18 0.00 2.07 -0.87 -1.51 116.25 117.79 3dk4 h VAL 451 Ca 0.23 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3dk4 h VAL 451 Cb -0.04 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3dk4 h VAL 451 CO -0.04 0.20 0.12 0.50 0.02 0.00 0.00 177.57 178.37 3dk4 h LYS 452 N 0.53 0.19 0.00 1.57 1.63 -0.71 -0.86 116.57 118.92 3dk4 h LYS 452 Ca 0.14 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3dk4 h LYS 452 Cb 0.13 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3dk4 h LYS 452 CO -0.02 0.13 0.00 -1.33 -3.45 0.00 0.00 179.45 174.78 3dk4 n MET 453 N -4.51 0.30 -1.39 1.90 2.81 -0.65 -4.91 117.12 110.66 3dk4 n MET 453 Ca 0.00 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3dk4 n MET 453 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3dk4 n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dk4 n GLY 454 N 0.71 0.79 3.65 3.03 0.00 -0.33 -5.02 105.19 108.03 3dk4 n GLY 454 Ca 0.10 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3dk4 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk4 n ALA 455 N -0.89 0.71 -2.42 4.61 0.00 -0.61 -4.77 120.51 117.14 3dk4 n ALA 455 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 3dk4 n ALA 455 Cb 0.33 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 3dk4 n ALA 455 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dk4 s THR 456 N -1.21 3.61 0.35 0.00 -4.23 -1.26 -0.47 115.64 112.43 3dk4 s THR 456 Ca 0.61 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 3dk4 s THR 456 Cb -0.55 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.35 3dk4 s THR 456 CO 0.58 -0.14 1.94 0.50 -0.54 0.00 0.00 174.62 176.96 3dk4 h LYS 457 N 1.04 0.77 -0.90 3.99 1.63 -1.22 -1.20 116.57 120.69 3dk4 h LYS 457 Ca -0.44 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.36 3dk4 h LYS 457 Cb 1.26 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 32.66 3dk4 h LYS 457 CO 0.55 0.51 0.59 0.00 -3.45 0.00 0.00 179.45 177.64 3dk4 h ALA 458 N 1.59 1.49 -0.94 5.00 0.00 -1.84 0.11 119.26 124.66 3dk4 h ALA 458 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3dk4 h ALA 458 Cb 0.32 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3dk4 h ALA 458 CO -0.12 0.40 0.57 -0.44 0.00 0.00 0.00 179.25 179.65 3dk4 h ASP 459 N 1.06 1.12 -0.07 0.00 3.32 -1.61 -0.29 116.42 119.95 3dk4 h ASP 459 Ca 0.38 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 3dk4 h ASP 459 Cb 0.13 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3dk4 h ASP 459 CO -0.13 0.86 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.97 3dk4 h PHE 460 N 1.29 0.15 0.00 4.55 -1.00 -1.09 -3.15 116.94 117.69 3dk4 h PHE 460 Ca 0.34 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.08 3dk4 h PHE 460 Cb -0.06 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.46 3dk4 h PHE 460 CO 0.01 0.48 0.00 -0.44 -1.61 0.00 0.00 178.31 176.74 3dk4 h ASP 461 N -0.22 0.00 0.26 2.17 3.32 -0.53 -1.77 116.42 119.65 3dk4 h ASP 461 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dk4 h ASP 461 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3dk4 h ASP 461 CO 0.01 0.00 -0.06 0.59 -1.72 0.00 0.00 179.24 178.06 3dk4 n ASN 462 N -2.73 0.42 -4.63 6.45 3.02 -0.15 -4.76 115.26 112.88 3dk4 n ASN 462 Ca 0.01 -0.72 -0.38 0.00 -0.03 0.00 0.00 54.58 53.47 3dk4 n ASN 462 Cb 0.27 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 3dk4 n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dk4 s THR 463 N -2.33 5.30 0.33 3.41 2.01 -0.67 -5.05 115.64 118.65 3dk4 s THR 463 Ca 0.34 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 3dk4 s THR 463 Cb 0.21 -3.56 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 3dk4 s THR 463 CO 0.43 0.28 1.39 -0.69 -0.69 0.00 0.00 174.62 175.34 3dk4 s VAL 464 N 1.46 2.48 0.80 3.82 1.01 -1.26 -4.98 120.40 123.74 3dk4 s VAL 464 Ca 0.09 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 3dk4 s VAL 464 Cb -0.15 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.01 3dk4 s VAL 464 CO 0.08 0.11 1.10 0.00 0.00 0.00 0.00 175.10 176.39 3dk4 s ALA 465 N -0.95 2.09 -0.21 5.51 0.00 -1.26 -5.06 121.76 121.88 3dk4 s ALA 465 Ca 0.52 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3dk4 s ALA 465 Cb -0.42 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3dk4 s ALA 465 CO 0.55 -1.98 -0.04 0.42 0.00 0.00 0.00 175.76 174.70 3dk4 s ILE 466 N -2.85 3.45 0.05 0.00 1.01 -1.26 -5.09 121.20 116.51 3dk4 s ILE 466 Ca 0.62 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.87 3dk4 s ILE 466 Cb -0.18 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3dk4 s ILE 466 CO 0.56 0.43 -0.20 -2.28 0.00 0.00 0.00 174.94 173.45 3dk4 s HIS 467 N 1.29 1.77 -0.17 3.97 2.46 -1.26 -3.44 115.29 119.91 3dk4 s HIS 467 Ca 0.04 -0.38 -0.24 0.00 0.47 0.00 0.00 55.06 54.95 3dk4 s HIS 467 Cb -0.14 -1.05 -0.02 0.00 -0.13 0.00 0.00 32.58 31.24 3dk4 s HIS 467 CO -0.02 0.10 0.76 -1.25 -2.47 0.00 0.00 174.74 171.86 3dk4 s PRO 468 N -1.24 4.29 0.15 2.88 0.05 -1.26 -5.19 135.00 134.68 3dk4 s PRO 468 Ca 0.07 0.88 -0.05 0.00 0.05 0.00 0.00 61.00 61.95 3dk4 s PRO 468 Cb -0.09 -3.56 -0.03 0.00 0.05 0.00 0.00 34.50 30.88 3dk4 s PRO 468 CO 0.02 -0.26 0.16 0.95 0.05 0.00 0.00 177.00 177.93 3dk4 s THR 469 N 1.93 0.08 0.19 1.26 -4.23 -1.22 -5.03 115.64 108.62 3dk4 s THR 469 Ca 0.35 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 3dk4 s THR 469 Cb -0.16 -1.95 -0.07 0.00 1.34 0.00 0.00 72.50 71.65 3dk4 s THR 469 CO 0.12 -0.38 1.49 0.28 -0.54 0.00 0.00 174.62 175.59 3dk4 h SER 470 N 2.71 0.50 -0.12 3.99 0.02 -1.89 -3.34 113.55 115.42 3dk4 h SER 470 Ca -0.33 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.33 3dk4 h SER 470 Cb 1.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3dk4 h SER 470 CO 0.54 1.00 0.08 0.77 -1.14 0.00 0.00 176.83 178.08 3dk4 h SER 471 N 0.32 0.11 0.14 3.07 4.64 -1.93 -1.09 113.55 118.81 3dk4 h SER 471 Ca -0.01 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3dk4 h SER 471 Cb 1.18 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3dk4 h SER 471 CO 0.11 0.08 -0.03 1.05 -0.87 0.00 0.00 176.83 177.17 3dk4 h GLU 472 N 0.13 0.00 0.00 4.77 4.11 -1.74 -2.16 114.58 119.69 3dk4 h GLU 472 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 3dk4 h GLU 472 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dk4 h GLU 472 CO -0.01 0.03 -0.10 0.93 0.07 0.00 0.00 179.01 179.93 3dk4 h GLU 473 N 0.00 0.00 0.00 1.06 4.39 -1.43 -2.23 114.58 116.37 3dk4 h GLU 473 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dk4 h GLU 473 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3dk4 h GLU 473 CO 0.00 0.10 0.00 1.25 -1.16 0.00 0.00 179.01 179.21 3dk4 h LEU 474 N 0.00 0.00 -2.69 1.33 5.85 -1.57 -3.08 115.31 115.15 3dk4 h LEU 474 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dk4 h LEU 474 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dk4 h LEU 474 CO 0.01 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.44 3dk4 n VAL 475 N -3.01 0.89 -1.69 1.05 0.24 -0.85 -4.42 118.33 110.54 3dk4 n VAL 475 Ca 0.03 -0.95 0.05 0.00 -2.04 0.00 0.00 64.34 61.43 3dk4 n VAL 475 Cb 0.43 0.59 0.08 0.00 -1.47 0.00 0.00 33.84 33.47 3dk4 n VAL 475 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3dk4 n THR 476 N 1.14 0.94 -2.32 3.34 5.66 -1.13 -4.37 114.28 117.55 3dk4 n THR 476 Ca 0.18 -1.35 -0.39 0.00 -3.05 0.00 0.00 64.05 59.45 3dk4 n THR 476 Cb 0.53 0.22 -0.02 0.00 -1.55 0.00 0.00 70.33 69.50 3dk4 n THR 476 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3dk4 s LEU 477 N -1.42 4.27 0.00 1.09 1.43 -1.22 -5.04 118.68 117.80 3dk4 s LEU 477 Ca 0.21 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3dk4 s LEU 477 Cb 0.20 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3dk4 s LEU 477 CO -0.02 -0.57 0.04 0.54 0.23 0.00 0.00 176.35 176.57