#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4r h ARG 2 N 0.00 0.57 -0.02 -1.46 1.12 -1.95 -1.76 114.38 110.88 1k4r h ARG 2 Ca 0.00 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1k4r h ARG 2 Cb 0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 29.83 1k4r h ARG 2 CO 0.00 0.38 0.07 0.00 -3.11 0.00 0.00 179.97 177.31 1k4r n THR 4 N -3.23 0.74 0.23 0.00 -2.24 -0.66 -2.89 114.28 106.22 1k4r n THR 4 Ca -0.02 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 1k4r n THR 4 Cb 0.15 -0.87 0.29 0.00 -2.10 0.00 0.00 70.33 67.79 1k4r n THR 4 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1k4r h HIS 5 N 0.00 0.00 -1.95 4.78 -0.00 -1.25 -3.47 115.15 113.27 1k4r h HIS 5 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.75 1k4r h HIS 5 Cb 0.32 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.60 1k4r h HIS 5 CO 0.00 0.00 -0.68 -0.48 -0.00 0.00 0.00 177.93 176.77 1k4r s LEU 6 N -6.20 2.73 0.04 2.43 2.34 -1.14 -5.04 118.68 113.83 1k4r s LEU 6 Ca 0.06 -1.19 -0.06 0.00 0.06 0.00 0.00 54.13 53.00 1k4r s LEU 6 Cb 0.06 -1.01 -0.30 0.00 -0.56 0.00 0.00 46.19 44.38 1k4r s LEU 6 CO 0.64 -0.19 1.01 -0.08 -1.06 0.00 0.00 176.35 176.66 1k4r h GLU 7 N 2.03 0.32 -5.81 1.48 4.81 -1.90 -3.41 114.58 112.09 1k4r h GLU 7 Ca -0.42 -0.54 -0.61 0.00 -0.13 0.00 0.00 59.36 57.66 1k4r h GLU 7 Cb 1.25 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.71 1k4r h GLU 7 CO 0.70 1.23 1.06 1.21 -0.73 0.00 0.00 179.01 182.48 1k4r s ASN 8 N -7.18 6.37 -0.01 1.04 2.47 -1.26 -4.97 114.94 111.41 1k4r s ASN 8 Ca -0.07 -1.23 0.02 0.00 0.42 0.00 0.00 52.86 52.00 1k4r s ASN 8 Cb 0.06 -2.50 -0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1k4r s ASN 8 CO 0.88 -1.49 -0.05 -0.60 -3.72 0.00 0.00 177.10 172.13 1k4r s ARG 9 N 4.51 0.45 0.19 0.43 3.52 -1.26 -2.29 118.95 124.50 1k4r s ARG 9 Ca 0.36 -0.17 0.11 0.00 -0.13 0.00 0.00 55.73 55.90 1k4r s ARG 9 Cb -0.06 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 1k4r s ARG 9 CO 0.01 0.09 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.84 1k4r s ASP 10 N 0.01 3.47 -0.13 -2.12 1.01 -0.14 -4.97 116.67 113.79 1k4r s ASP 10 Ca 0.00 -0.86 0.02 0.00 0.71 0.00 0.00 52.55 52.43 1k4r s ASP 10 Cb -0.04 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.62 1k4r s ASP 10 CO -0.00 0.12 -0.20 -0.36 0.21 0.00 0.00 175.17 174.94 1k4r s PHE 11 N -1.67 2.69 -0.08 4.23 0.40 -1.26 -0.72 117.98 121.56 1k4r s PHE 11 Ca 0.21 -1.11 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 1k4r s PHE 11 Cb -0.08 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1k4r s PHE 11 CO 0.10 -0.48 -0.21 0.08 0.70 0.00 0.00 175.22 175.40 1k4r s VAL 12 N 0.65 2.34 -0.07 -0.44 1.01 -0.13 -4.95 120.40 118.81 1k4r s VAL 12 Ca -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1k4r s VAL 12 Cb -0.16 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1k4r s VAL 12 CO 0.02 0.56 -0.09 0.28 0.00 0.00 0.00 175.10 175.88 1k4r s THR 13 N -0.01 0.93 -0.18 3.92 -1.32 -1.26 -1.65 115.64 116.07 1k4r s THR 13 Ca -0.07 -0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 60.01 1k4r s THR 13 Cb -0.15 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1k4r s THR 13 CO 0.05 0.33 0.11 -0.83 -2.21 0.00 0.00 174.62 172.06 1k4r s GLY 14 N 1.09 2.01 0.00 6.08 0.00 -0.66 -5.01 107.32 110.83 1k4r s GLY 14 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1k4r s GLY 14 CO -0.01 0.04 0.00 -1.30 0.00 0.00 0.00 173.10 171.83 1k4r n THR 15 N 3.31 0.00 -2.25 0.90 -2.24 -1.26 -3.55 114.28 109.19 1k4r n THR 15 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1k4r n THR 15 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1k4r n THR 15 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1k4r s GLN 16 N 2.19 4.33 0.00 -0.78 2.00 -1.26 -3.13 119.66 123.01 1k4r s GLN 16 Ca 0.00 1.96 0.00 0.00 -2.00 0.00 0.00 55.36 55.32 1k4r s GLN 16 Cb 0.00 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.40 1k4r s GLN 16 CO 0.00 -0.46 0.00 0.41 -0.50 0.00 0.00 175.29 174.74 1k4r n GLY 17 N 3.49 2.75 3.54 2.59 0.00 -1.26 -4.98 105.19 111.33 1k4r n GLY 17 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1k4r n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k4r n THR 18 N -0.06 0.23 -0.03 2.61 -1.04 -1.18 -4.75 114.28 110.05 1k4r n THR 18 Ca 0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1k4r n THR 18 Cb 0.00 -2.29 -0.09 0.00 -1.82 0.00 0.00 70.33 66.14 1k4r n THR 18 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1k4r n THR 19 N 7.63 0.36 -4.75 12.58 5.66 -1.26 -4.79 114.28 129.72 1k4r n THR 19 Ca 0.35 -0.36 -0.30 0.00 -3.05 0.00 0.00 64.05 60.69 1k4r n THR 19 Cb 0.39 -0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 68.80 1k4r n THR 19 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1k4r s ARG 20 N -2.54 1.69 -0.03 1.09 3.52 -1.26 -0.72 118.95 120.69 1k4r s ARG 20 Ca -0.05 -1.18 0.01 0.00 -0.13 0.00 0.00 55.73 54.38 1k4r s ARG 20 Cb 0.05 -1.96 0.02 0.00 -1.56 0.00 0.00 34.95 31.51 1k4r s ARG 20 CO 0.46 0.49 -0.02 0.08 -0.81 0.00 0.00 175.30 175.51 1k4r s VAL 21 N -0.89 0.33 -0.23 7.11 1.01 -0.29 -4.97 120.40 122.48 1k4r s VAL 21 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1k4r s VAL 21 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1k4r s VAL 21 CO 0.03 0.17 0.09 -0.89 0.00 0.00 0.00 175.10 174.50 1k4r s THR 22 N 0.90 4.66 0.16 3.92 2.01 -1.26 0.29 115.64 126.31 1k4r s THR 22 Ca -0.10 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 61.92 1k4r s THR 22 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1k4r s THR 22 CO -0.01 0.37 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.33 1k4r s LEU 23 N 1.18 2.41 -0.38 4.42 1.43 0.07 -4.98 118.68 122.84 1k4r s LEU 23 Ca 0.05 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1k4r s LEU 23 Cb -0.14 -0.89 0.09 0.00 0.03 0.00 0.00 46.19 45.28 1k4r s LEU 23 CO 0.04 0.01 0.14 -0.69 0.23 0.00 0.00 176.35 176.07 1k4r s VAL 24 N -1.82 3.12 0.00 -1.59 1.01 -1.26 -0.88 120.40 118.98 1k4r s VAL 24 Ca 0.15 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 1k4r s VAL 24 Cb -0.07 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1k4r s VAL 24 CO 0.07 -0.54 0.62 -0.76 0.00 0.00 0.00 175.10 174.49 1k4r s LEU 25 N 1.15 4.42 0.04 3.92 1.43 0.08 -4.93 118.68 124.79 1k4r s LEU 25 Ca 0.05 1.21 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1k4r s LEU 25 Cb -0.22 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 1k4r s LEU 25 CO -0.04 0.09 -0.20 -1.83 0.23 0.00 0.00 176.35 174.60 1k4r s GLU 26 N -0.16 1.35 0.20 1.70 -1.05 -1.26 -1.10 118.70 118.37 1k4r s GLU 26 Ca 0.32 -0.92 -0.32 0.00 -0.15 0.00 0.00 54.97 53.90 1k4r s GLU 26 Cb -0.19 -1.45 -0.12 0.00 -0.44 0.00 0.00 34.13 31.94 1k4r s GLU 26 CO 0.18 0.37 1.71 -0.11 0.95 0.00 0.00 175.26 178.36 1k4r n LEU 27 N 1.87 3.87 0.00 1.83 7.94 -0.15 -0.90 117.00 131.45 1k4r n LEU 27 Ca -0.17 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1k4r n LEU 27 Cb 0.53 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1k4r n LEU 27 CO 0.23 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 1k4r n GLY 28 N 3.90 0.90 3.67 -3.96 0.00 -1.26 -4.75 105.19 103.69 1k4r n GLY 28 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1k4r n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4r n GLY 29 N -2.00 2.72 3.63 -0.02 0.00 -0.08 -4.61 105.19 104.83 1k4r n GLY 29 Ca 0.00 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 1k4r n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k4r s VAL 31 N 0.73 2.34 -0.27 0.00 1.01 0.01 -0.96 120.40 123.25 1k4r s VAL 31 Ca -0.03 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1k4r s VAL 31 Cb -0.05 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1k4r s VAL 31 CO -0.06 0.55 0.17 -0.89 0.00 0.00 0.00 175.10 174.87 1k4r s THR 32 N 0.42 5.17 -0.20 3.92 2.01 0.10 -0.90 115.64 126.17 1k4r s THR 32 Ca -0.15 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1k4r s THR 32 Cb -0.17 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1k4r s THR 32 CO 0.07 0.26 0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 1k4r s ILE 33 N 1.73 4.83 0.05 1.82 1.01 0.83 -0.95 121.20 130.51 1k4r s ILE 33 Ca 0.07 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1k4r s ILE 33 Cb -0.16 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1k4r s ILE 33 CO 0.10 0.43 -0.20 0.42 0.00 0.00 0.00 174.94 175.69 1k4r s THR 34 N 0.59 1.60 -0.23 2.92 -4.23 -0.66 -1.37 115.64 114.26 1k4r s THR 34 Ca 0.04 -1.20 -0.23 0.00 -1.18 0.00 0.00 61.69 59.12 1k4r s THR 34 Cb -0.13 -1.40 0.06 0.00 1.34 0.00 0.00 72.50 72.38 1k4r s THR 34 CO 0.01 0.16 0.65 0.00 -0.54 0.00 0.00 174.62 174.90 1k4r s ALA 35 N -0.84 -1.62 0.03 3.99 0.00 -1.26 -1.65 121.76 120.41 1k4r s ALA 35 Ca 0.07 1.80 -0.36 0.00 0.00 0.00 0.00 51.96 53.47 1k4r s ALA 35 Cb -0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 23.12 21.89 1k4r s ALA 35 CO 0.02 -0.31 1.57 0.39 0.00 0.00 0.00 175.76 177.42 1k4r n GLU 36 N 2.60 1.66 -0.93 0.00 1.02 -1.23 -1.36 120.64 122.39 1k4r n GLU 36 Ca -0.14 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1k4r n GLU 36 Cb 0.56 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1k4r n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k4r n GLY 37 N 3.37 0.42 3.36 0.62 0.00 -1.26 -5.00 105.19 106.69 1k4r n GLY 37 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1k4r n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4r s LYS 38 N -0.63 1.65 0.38 1.61 -0.14 -0.47 -4.37 119.74 117.77 1k4r s LYS 38 Ca 0.00 -1.19 -0.26 0.00 -1.36 0.00 0.00 55.97 53.16 1k4r s LYS 38 Cb 0.00 -1.94 -0.09 0.00 -1.68 0.00 0.00 37.83 34.12 1k4r s LYS 38 CO 0.00 0.49 1.15 -1.25 -0.76 0.00 0.00 175.35 174.98 1k4r s PRO 39 N -1.52 4.17 0.54 -1.68 0.04 -1.26 -4.48 135.00 130.80 1k4r s PRO 39 Ca 0.12 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1k4r s PRO 39 Cb -0.10 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1k4r s PRO 39 CO 0.03 -0.21 1.11 -1.12 0.04 0.00 0.00 177.00 176.85 1k4r s SER 40 N -1.13 5.83 -0.01 6.66 0.01 -1.26 -4.82 113.70 118.98 1k4r s SER 40 Ca 0.55 2.11 0.03 0.00 1.31 0.00 0.00 55.95 59.95 1k4r s SER 40 Cb -0.30 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.35 1k4r s SER 40 CO 0.38 -1.14 -0.09 -0.04 0.41 0.00 0.00 173.24 172.76 1k4r s MET 41 N -3.31 0.72 -0.20 12.44 -1.94 -0.47 -1.10 119.30 125.43 1k4r s MET 41 Ca 0.71 -0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 54.32 1k4r s MET 41 Cb -0.22 -0.69 -0.04 0.00 2.01 0.00 0.00 34.83 35.89 1k4r s MET 41 CO 0.26 0.17 0.06 -0.51 -0.01 0.00 0.00 175.02 174.99 1k4r s ASP 42 N -0.15 5.41 -0.00 3.03 1.11 0.23 -0.12 116.67 126.18 1k4r s ASP 42 Ca 0.03 -0.02 0.04 0.00 0.18 0.00 0.00 52.55 52.77 1k4r s ASP 42 Cb -0.04 -1.94 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 1k4r s ASP 42 CO -0.00 0.11 -0.13 -0.69 1.18 0.00 0.00 175.17 175.64 1k4r s VAL 43 N 0.74 1.04 -0.05 -1.27 1.01 -0.07 -0.84 120.40 120.96 1k4r s VAL 43 Ca 0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1k4r s VAL 43 Cb -0.13 -0.87 0.06 0.00 0.00 0.00 0.00 36.38 35.43 1k4r s VAL 43 CO 0.02 0.25 0.58 -1.66 0.00 0.00 0.00 175.10 174.29 1k4r s TRP 44 N -0.38 -0.53 -0.26 5.22 -2.14 -0.64 -0.81 118.94 119.40 1k4r s TRP 44 Ca 0.05 0.92 -0.29 0.00 2.66 0.00 0.00 56.10 59.44 1k4r s TRP 44 Cb -0.05 0.32 0.01 0.00 -3.10 0.00 0.00 33.47 30.65 1k4r s TRP 44 CO -0.00 -0.54 1.03 -1.17 -2.66 0.00 0.00 176.95 173.60 1k4r s LEU 45 N -1.18 4.05 -0.12 -4.66 2.96 -1.26 -0.97 118.68 117.51 1k4r s LEU 45 Ca -0.11 1.25 0.10 0.00 -0.22 0.00 0.00 54.13 55.15 1k4r s LEU 45 Cb -0.02 -3.51 -0.24 0.00 0.50 0.00 0.00 46.19 42.93 1k4r s LEU 45 CO 0.08 -0.72 0.36 -0.67 -1.32 0.00 0.00 176.35 174.09 1k4r n ASP 46 N 6.45 0.93 -3.46 3.68 2.03 0.11 -4.37 116.55 121.91 1k4r n ASP 46 Ca 0.11 0.21 -0.13 0.00 0.52 0.00 0.00 54.79 55.51 1k4r n ASP 46 Cb 0.46 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1k4r n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k4r s ALA 47 N -2.55 -1.68 -0.05 -1.67 0.00 -1.16 -4.97 121.76 109.68 1k4r s ALA 47 Ca -0.12 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1k4r s ALA 47 Cb 0.07 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1k4r s ALA 47 CO 0.80 -0.66 0.07 0.42 0.00 0.00 0.00 175.76 176.39 1k4r s ILE 48 N -3.02 -0.13 0.28 0.00 1.01 -1.26 -1.43 121.20 116.66 1k4r s ILE 48 Ca -0.01 0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.84 1k4r s ILE 48 Cb -0.01 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1k4r s ILE 48 CO -0.07 0.17 0.74 -0.72 0.00 0.00 0.00 174.94 175.05 1k4r s TYR 49 N 2.18 -0.17 -0.01 3.97 1.13 -0.61 -0.98 117.35 122.87 1k4r s TYR 49 Ca 0.05 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 1k4r s TYR 49 Cb -0.12 0.71 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 1k4r s TYR 49 CO -0.03 -1.24 -0.00 -1.14 -2.51 0.00 0.00 175.55 170.63 1k4r s GLN 50 N -3.80 0.10 0.13 -3.49 0.74 -0.93 -0.10 119.66 112.30 1k4r s GLN 50 Ca 0.11 0.01 -0.25 0.00 0.05 0.00 0.00 55.36 55.28 1k4r s GLN 50 Cb -0.06 -0.16 -0.07 0.00 1.10 0.00 0.00 33.01 33.82 1k4r s GLN 50 CO 0.07 -0.02 0.76 -1.21 -0.55 0.00 0.00 175.29 174.34 1k4r s GLU 51 N 0.25 4.52 -1.31 1.67 2.02 -1.26 -1.07 118.70 123.53 1k4r s GLU 51 Ca -0.02 1.10 -0.13 0.00 0.02 0.00 0.00 54.97 55.94 1k4r s GLU 51 Cb -0.04 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1k4r s GLU 51 CO -0.01 0.50 0.52 0.09 0.02 0.00 0.00 175.26 176.38 1k4r n ASN 52 N 1.92 -2.33 -4.69 -0.19 3.02 0.16 -4.92 115.26 108.22 1k4r n ASN 52 Ca -0.05 -1.11 -0.32 0.00 -0.03 0.00 0.00 54.58 53.07 1k4r n ASN 52 Cb 0.49 -2.66 0.15 0.00 -0.61 0.00 0.00 39.78 37.15 1k4r n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k4r s PRO 53 N -6.69 1.35 0.40 3.52 0.04 -1.26 -4.93 135.00 127.44 1k4r s PRO 53 Ca 0.24 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 1k4r s PRO 53 Cb -0.10 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1k4r s PRO 53 CO 0.91 -2.38 1.33 0.00 0.04 0.00 0.00 177.00 176.90 1k4r s ALA 54 N -2.57 3.30 -0.07 8.56 0.00 -1.20 -4.79 121.76 124.98 1k4r s ALA 54 Ca 0.67 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.78 1k4r s ALA 54 Cb -0.23 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1k4r s ALA 54 CO 0.56 -0.86 0.33 0.15 0.00 0.00 0.00 175.76 175.94 1k4r s LYS 55 N -2.21 3.95 0.00 0.00 1.02 -1.26 -1.22 119.74 120.01 1k4r s LYS 55 Ca 0.56 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.79 1k4r s LYS 55 Cb -0.39 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1k4r s LYS 55 CO 0.51 0.55 0.00 0.25 -0.92 0.00 0.00 175.35 175.74 1k4r n THR 56 N 2.44 0.00 -1.15 2.17 -2.24 -0.22 -4.95 114.28 110.34 1k4r n THR 56 Ca -0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 1k4r n THR 56 Cb 0.53 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.86 1k4r n THR 56 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1k4r s ARG 57 N 3.61 1.98 -0.05 -0.78 0.52 -1.26 -4.52 118.95 118.45 1k4r s ARG 57 Ca 0.00 1.28 0.05 0.00 -0.52 0.00 0.00 55.73 56.53 1k4r s ARG 57 Cb 0.00 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 1k4r s ARG 57 CO 0.00 -1.87 -0.18 -1.21 0.02 0.00 0.00 175.30 172.06 1k4r s GLU 58 N -4.80 2.44 0.15 3.54 2.02 -0.37 -2.23 118.70 119.45 1k4r s GLU 58 Ca 0.63 -0.77 0.09 0.00 0.02 0.00 0.00 54.97 54.95 1k4r s GLU 58 Cb -0.19 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1k4r s GLU 58 CO 0.56 0.58 -0.16 0.71 0.02 0.00 0.00 175.26 176.96 1k4r s TYR 59 N -0.63 2.53 -0.21 1.61 2.02 0.57 -1.45 117.35 121.79 1k4r s TYR 59 Ca 0.09 -0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 1k4r s TYR 59 Cb -0.11 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1k4r s TYR 59 CO 0.00 0.44 0.08 0.00 -1.57 0.00 0.00 175.55 174.50 1k4r n LEU 61 N 4.06 0.57 -3.44 0.00 4.77 0.57 -4.20 117.00 119.34 1k4r n LEU 61 Ca -0.16 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1k4r n LEU 61 Cb 0.52 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1k4r n LEU 61 CO 0.34 -0.08 -0.15 -2.28 -1.33 0.00 0.00 177.39 173.89 1k4r s HIS 62 N -3.36 -0.48 0.29 -1.77 5.04 -1.25 -0.19 115.29 113.58 1k4r s HIS 62 Ca -0.01 0.39 -0.29 0.00 -1.54 0.00 0.00 55.06 53.60 1k4r s HIS 62 Cb 0.12 -0.24 -0.09 0.00 0.04 0.00 0.00 32.58 32.40 1k4r s HIS 62 CO 0.82 -0.67 1.09 0.00 -2.34 0.00 0.00 174.74 173.64 1k4r s ALA 63 N 2.40 3.37 -0.35 1.58 0.00 -1.26 -1.41 121.76 126.09 1k4r s ALA 63 Ca 0.09 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 1k4r s ALA 63 Cb -0.15 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.70 1k4r s ALA 63 CO -0.15 -0.16 0.13 0.21 0.00 0.00 0.00 175.76 175.78 1k4r s LYS 64 N -1.56 2.58 -0.03 0.00 2.20 -0.14 -4.72 119.74 118.07 1k4r s LYS 64 Ca 0.46 -1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1k4r s LYS 64 Cb -0.31 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1k4r s LYS 64 CO 0.40 -0.72 0.11 -0.51 -0.36 0.00 0.00 175.35 174.26 1k4r s LEU 65 N 1.38 4.07 0.24 5.43 1.43 -1.26 -1.44 118.68 128.54 1k4r s LEU 65 Ca -0.01 0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 1k4r s LEU 65 Cb -0.20 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1k4r s LEU 65 CO 0.02 0.30 0.62 -0.94 0.23 0.00 0.00 176.35 176.59 1k4r s SER 66 N -1.61 -0.27 -1.25 2.29 1.04 -0.80 -4.98 113.70 108.13 1k4r s SER 66 Ca 0.22 -0.56 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1k4r s SER 66 Cb -0.12 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1k4r s SER 66 CO 0.13 -1.21 0.69 0.47 0.98 0.00 0.00 173.24 174.30 1k4r n ASP 67 N -0.41 -2.91 -4.71 7.02 9.92 -1.26 -0.81 116.55 123.39 1k4r n ASP 67 Ca -0.06 -0.93 -0.42 0.00 -0.53 0.00 0.00 54.79 52.85 1k4r n ASP 67 Cb 0.61 -3.67 -0.03 0.00 -0.64 0.00 0.00 41.12 37.39 1k4r n ASP 67 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1k4r s THR 68 N -3.64 2.53 -0.02 -3.53 2.01 -1.26 -4.43 115.64 107.31 1k4r s THR 68 Ca 0.21 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.53 1k4r s THR 68 Cb -0.07 -3.18 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1k4r s THR 68 CO 0.84 0.01 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.13 1k4r s LYS 69 N 1.66 1.06 -0.01 4.92 1.02 -0.04 -4.99 119.74 123.35 1k4r s LYS 69 Ca 0.74 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.36 1k4r s LYS 69 Cb -0.45 -0.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 1k4r s LYS 69 CO 0.32 0.21 -0.15 0.08 -0.92 0.00 0.00 175.35 174.90 1k4r s VAL 70 N -0.11 1.17 -0.05 3.17 1.01 -1.26 -0.69 120.40 123.64 1k4r s VAL 70 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1k4r s VAL 70 Cb -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1k4r s VAL 70 CO 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.34 1k4r s ALA 71 N -0.29 0.97 0.02 5.51 0.00 -0.14 -5.00 121.76 122.83 1k4r s ALA 71 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1k4r s ALA 71 Cb -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1k4r s ALA 71 CO -0.00 0.08 -0.07 0.00 0.00 0.00 0.00 175.76 175.77 1k4r s ALA 72 N 0.63 0.56 0.07 0.00 0.00 -1.26 -0.79 121.76 120.97 1k4r s ALA 72 Ca -0.11 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1k4r s ALA 72 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1k4r s ALA 72 CO 0.02 0.07 -0.18 1.03 0.00 0.00 0.00 175.76 176.70 1k4r s ARG 73 N -0.82 1.06 0.86 0.00 1.81 0.66 -4.98 118.95 117.55 1k4r s ARG 73 Ca -0.03 -0.96 -0.11 0.00 -1.72 0.00 0.00 55.73 52.91 1k4r s ARG 73 Cb -0.06 -1.17 0.11 0.00 -0.45 0.00 0.00 34.95 33.38 1k4r s ARG 73 CO 0.00 0.28 1.10 0.00 -0.68 0.00 0.00 175.30 176.00 1k4r h PRO 75 N -1.46 0.08 -0.00 0.00 0.11 -1.87 -1.97 132.00 126.88 1k4r h PRO 75 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k4r h PRO 75 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k4r h PRO 75 CO 0.51 0.05 -0.75 0.25 -0.21 0.00 0.00 178.00 177.86 1k4r n THR 76 N -4.29 0.00 1.90 -1.15 -2.24 -1.26 -4.57 114.28 102.67 1k4r n THR 76 Ca 0.31 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.99 1k4r n THR 76 Cb 1.37 1.07 0.15 0.00 -2.10 0.00 0.00 70.33 70.83 1k4r n THR 76 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1k4r n MET 77 N -1.00 1.08 -0.02 -0.78 2.81 -0.74 -5.04 117.12 113.42 1k4r n MET 77 Ca 0.05 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1k4r n MET 77 Cb 0.34 -1.10 -0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1k4r n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k4r n GLY 78 N 0.63 -2.05 3.77 3.03 0.00 -1.26 -4.90 105.19 104.40 1k4r n GLY 78 Ca 0.05 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1k4r n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1k4r s PRO 79 N -0.21 4.26 0.22 1.61 0.02 -1.26 -4.56 135.00 135.09 1k4r s PRO 79 Ca 0.00 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 1k4r s PRO 79 Cb 0.00 -2.97 -0.08 0.00 0.02 0.00 0.00 34.50 31.46 1k4r s PRO 79 CO 0.00 -0.24 0.73 0.00 -0.33 0.00 0.00 177.00 177.16 1k4r s ALA 80 N -1.19 3.41 0.02 -1.55 0.00 -1.26 -4.95 121.76 116.23 1k4r s ALA 80 Ca 0.51 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 1k4r s ALA 80 Cb -0.38 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1k4r s ALA 80 CO 0.50 0.32 0.12 0.95 0.00 0.00 0.00 175.76 177.65 1k4r s THR 81 N -1.52 0.11 0.02 0.00 -4.23 -1.26 -4.80 115.64 103.95 1k4r s THR 81 Ca 0.43 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 1k4r s THR 81 Cb -0.17 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 1k4r s THR 81 CO 0.21 -0.48 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.96 1k4r s LEU 82 N -1.73 2.11 0.47 4.79 1.43 -1.26 -4.87 118.68 119.63 1k4r s LEU 82 Ca -0.10 -0.31 0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1k4r s LEU 82 Cb -0.05 -0.36 1.10 0.00 0.03 0.00 0.00 46.19 46.91 1k4r s LEU 82 CO -0.01 -0.00 2.10 0.00 0.23 0.00 0.00 176.35 178.66 1k4r h ALA 83 N 5.36 1.86 0.00 4.21 0.00 -2.02 -2.30 119.26 126.37 1k4r h ALA 83 Ca -0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k4r h ALA 83 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k4r h ALA 83 CO 0.46 0.12 -0.01 0.93 0.00 0.00 0.00 179.25 180.75 1k4r h GLU 84 N 0.19 0.00 -0.03 0.00 3.07 -1.95 -1.99 114.58 113.87 1k4r h GLU 84 Ca 0.05 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1k4r h GLU 84 Cb 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1k4r h GLU 84 CO -0.01 0.01 0.09 0.93 -1.40 0.00 0.00 179.01 178.63 1k4r h GLU 85 N 0.00 0.00 -0.02 2.33 5.08 -1.83 -1.48 114.58 118.66 1k4r h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k4r h GLU 85 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1k4r h GLU 85 CO 0.00 0.00 -0.14 0.72 -1.00 0.00 0.00 179.01 178.59 1k4r n HIS 86 N -3.31 0.00 -3.50 4.33 8.25 -0.75 -4.98 115.22 115.26 1k4r n HIS 86 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1k4r n HIS 86 Cb 0.17 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 1k4r n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1k4r s GLN 87 N -1.53 3.76 0.51 -0.41 -0.21 -0.56 -5.08 119.66 116.14 1k4r s GLN 87 Ca 0.16 0.18 -0.11 0.00 0.02 0.00 0.00 55.36 55.61 1k4r s GLN 87 Cb 0.13 -2.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 1k4r s GLN 87 CO 0.28 0.38 0.90 0.20 -2.12 0.00 0.00 175.29 174.93 1k4r s GLY 88 N -2.31 1.78 0.00 3.09 0.00 -1.26 -4.09 107.32 104.53 1k4r s GLY 88 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1k4r s GLY 88 CO 0.22 0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.00 1k4r n GLY 89 N -2.02 0.59 3.15 0.20 0.00 -1.26 -5.04 105.19 100.81 1k4r n GLY 89 Ca 0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1k4r n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k4r s THR 90 N -2.00 0.88 -0.09 2.61 -4.23 -1.26 -1.19 115.64 110.36 1k4r s THR 90 Ca 0.00 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1k4r s THR 90 Cb 0.00 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1k4r s THR 90 CO 0.00 -0.50 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.69 1k4r s VAL 91 N -2.16 1.76 0.10 2.29 1.01 0.34 -4.86 120.40 118.88 1k4r s VAL 91 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1k4r s VAL 91 Cb -0.05 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1k4r s VAL 91 CO 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.49 1k4r s LYS 93 N -2.88 0.16 -0.11 0.00 2.20 -0.17 -4.99 119.74 113.95 1k4r s LYS 93 Ca 0.07 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 1k4r s LYS 93 Cb -0.02 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 1k4r s LYS 93 CO 0.00 -0.16 0.07 1.03 -0.36 0.00 0.00 175.35 175.94 1k4r s ARG 94 N 1.11 3.30 0.00 4.03 0.52 -1.26 -1.67 118.95 124.98 1k4r s ARG 94 Ca -0.09 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1k4r s ARG 94 Cb -0.13 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1k4r s ARG 94 CO -0.02 0.70 0.00 -3.47 0.02 0.00 0.00 175.30 172.52 1k4r n ASP 95 N 2.21 0.00 -3.85 0.23 -0.08 0.24 -5.00 116.55 110.29 1k4r n ASP 95 Ca -0.19 -0.10 -0.14 0.00 -1.51 0.00 0.00 54.79 52.85 1k4r n ASP 95 Cb 0.54 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.85 1k4r n ASP 95 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1k4r s GLN 96 N 0.70 0.08 0.28 -0.67 -0.21 -1.26 -2.10 119.66 116.49 1k4r s GLN 96 Ca 0.00 0.03 0.11 0.00 0.02 0.00 0.00 55.36 55.52 1k4r s GLN 96 Cb 0.00 -0.16 -0.05 0.00 1.00 0.00 0.00 33.01 33.80 1k4r s GLN 96 CO 0.00 -0.04 -0.14 -1.54 -2.12 0.00 0.00 175.29 171.45 1k4r s SER 97 N 0.33 3.83 -0.07 5.90 1.04 -0.12 -4.80 113.70 119.81 1k4r s SER 97 Ca -0.03 -0.96 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1k4r s SER 97 Cb -0.05 -0.43 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1k4r s SER 97 CO -0.01 0.00 0.91 -1.81 0.98 0.00 0.00 173.24 173.31 1k4r s ASP 98 N -3.56 7.20 0.28 7.02 1.01 -1.26 -0.62 116.67 126.73 1k4r s ASP 98 Ca 0.31 1.46 0.06 0.00 0.71 0.00 0.00 52.55 55.09 1k4r s ASP 98 Cb -0.05 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1k4r s ASP 98 CO 0.16 -0.31 -0.05 -0.13 0.21 0.00 0.00 175.17 175.06 1k4r s ARG 99 N 1.43 1.54 0.00 8.23 1.81 0.41 -4.07 118.95 128.29 1k4r s ARG 99 Ca 0.46 -1.78 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 1k4r s ARG 99 Cb -0.19 -1.10 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 1k4r s ARG 99 CO 0.21 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1k4r n GLY 100 N -0.57 -1.03 0.28 -3.53 0.00 -1.24 -1.56 105.19 97.54 1k4r n GLY 100 Ca -0.05 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.23 1k4r n GLY 100 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1k4r h TRP 101 N 0.00 0.26 -0.09 1.61 4.06 -1.78 -1.27 115.95 118.74 1k4r h TRP 101 Ca 0.00 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.98 1k4r h TRP 101 Cb 0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 1k4r h TRP 101 CO 0.00 0.17 0.07 0.78 -3.56 0.00 0.00 178.44 175.90 1k4r h GLY 102 N 0.30 0.00 -1.93 1.49 0.00 -1.94 -2.10 103.07 98.88 1k4r h GLY 102 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 1k4r h GLY 102 CO -0.02 0.00 -0.62 1.16 0.00 0.00 0.00 176.54 177.06 1k4r n ASN 103 N -4.29 2.60 -2.78 0.19 0.23 -0.92 -5.00 115.26 105.28 1k4r n ASN 103 Ca -0.01 -3.76 -0.17 0.00 -0.53 0.00 0.00 54.58 50.11 1k4r n ASN 103 Cb 0.18 -0.47 0.06 0.00 -2.08 0.00 0.00 39.78 37.48 1k4r n ASN 103 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1k4r n HIS 104 N -0.93 -2.03 -4.42 -2.53 8.25 -0.79 -4.81 115.22 107.96 1k4r n HIS 104 Ca 0.25 0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 58.16 1k4r n HIS 104 Cb 0.79 -4.04 -0.12 0.00 1.12 0.00 0.00 29.99 27.74 1k4r n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k4r h GLY 106 N 3.94 0.56 -3.14 0.00 0.00 -1.97 -3.18 103.07 99.29 1k4r h GLY 106 Ca -0.50 -0.56 -0.56 0.00 0.00 0.00 0.00 47.33 45.71 1k4r h GLY 106 CO 0.43 0.50 -0.61 1.08 0.00 0.00 0.00 176.54 177.94 1k4r s LEU 107 N -8.48 3.45 -0.32 3.11 1.43 -1.26 -4.84 118.68 111.77 1k4r s LEU 107 Ca -0.07 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1k4r s LEU 107 Cb 0.12 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1k4r s LEU 107 CO 0.82 0.03 0.21 -0.36 0.23 0.00 0.00 176.35 177.28 1k4r s PHE 108 N -2.00 3.22 -0.69 0.29 0.40 -1.26 -3.69 117.98 114.24 1k4r s PHE 108 Ca 0.30 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1k4r s PHE 108 Cb -0.08 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 41.01 1k4r s PHE 108 CO 0.21 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.20 1k4r n GLY 109 N 5.07 -0.91 3.73 4.36 0.00 -0.60 -4.98 105.19 111.86 1k4r n GLY 109 Ca -0.13 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1k4r n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4r s LYS 110 N -0.28 4.51 0.07 1.61 -0.14 -1.26 -0.45 119.74 123.80 1k4r s LYS 110 Ca 0.00 1.13 0.09 0.00 -1.36 0.00 0.00 55.97 55.83 1k4r s LYS 110 Cb 0.00 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 1k4r s LYS 110 CO 0.00 0.12 -0.25 0.20 -0.76 0.00 0.00 175.35 174.66 1k4r s GLY 111 N 0.50 1.39 0.26 -3.33 0.00 0.21 -4.03 107.32 102.33 1k4r s GLY 111 Ca 0.42 -1.28 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1k4r s GLY 111 CO 0.23 -1.20 1.21 -0.45 0.00 0.00 0.00 173.10 172.90 1k4r s SER 112 N -1.43 7.03 -0.01 1.64 0.15 -1.12 -0.94 113.70 119.01 1k4r s SER 112 Ca 0.11 2.39 -0.02 0.00 0.70 0.00 0.00 55.95 59.14 1k4r s SER 112 Cb -0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1k4r s SER 112 CO 0.03 -0.36 0.05 -0.51 1.20 0.00 0.00 173.24 173.64 1k4r s ILE 113 N -0.68 0.02 -0.04 6.45 2.07 -0.89 -0.24 121.20 127.89 1k4r s ILE 113 Ca 0.50 -0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 59.56 1k4r s ILE 113 Cb -0.35 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1k4r s ILE 113 CO 0.43 -0.08 0.08 0.54 -1.91 0.00 0.00 174.94 173.99 1k4r s VAL 114 N -0.24 -0.03 0.00 4.00 0.11 0.03 -0.59 120.40 123.69 1k4r s VAL 114 Ca -0.03 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1k4r s VAL 114 Cb -0.02 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1k4r s VAL 114 CO 0.00 0.04 -0.17 0.00 -3.33 0.00 0.00 175.10 171.64 1k4r s ALA 115 N 0.62 1.43 0.03 1.54 0.00 -0.67 -0.96 121.76 123.74 1k4r s ALA 115 Ca -0.05 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1k4r s ALA 115 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1k4r s ALA 115 CO -0.02 0.34 -0.05 0.00 0.00 0.00 0.00 175.76 176.02 1k4r s VAL 117 N -1.25 0.78 -0.01 0.00 -7.23 -0.27 -0.86 120.40 111.57 1k4r s VAL 117 Ca -0.11 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1k4r s VAL 117 Cb -0.09 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1k4r s VAL 117 CO -0.00 -0.27 0.81 -0.54 -0.31 0.00 0.00 175.10 174.78 1k4r s LYS 118 N -1.54 4.50 -0.18 4.82 1.02 0.01 -0.51 119.74 127.87 1k4r s LYS 118 Ca -0.06 1.11 -0.00 0.00 0.02 0.00 0.00 55.97 57.04 1k4r s LYS 118 Cb -0.09 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1k4r s LYS 118 CO 0.01 0.10 -0.14 0.00 -0.92 0.00 0.00 175.35 174.40 1k4r s ALA 119 N 0.57 2.53 0.00 5.17 0.00 -0.33 -1.90 121.76 127.79 1k4r s ALA 119 Ca 0.42 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1k4r s ALA 119 Cb -0.20 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1k4r s ALA 119 CO 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 175.76 175.79 1k4r n ALA 120 N 4.36 0.00 -2.36 0.00 0.00 -0.52 -4.71 120.51 117.28 1k4r n ALA 120 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1k4r n ALA 120 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.80 1k4r n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k4r s GLU 122 N -0.63 3.09 0.29 0.00 0.41 -0.50 -4.73 118.70 116.63 1k4r s GLU 122 Ca 0.09 2.18 -0.30 0.00 -0.41 0.00 0.00 54.97 56.54 1k4r s GLU 122 Cb -0.09 -2.21 -0.12 0.00 -1.78 0.00 0.00 34.13 29.93 1k4r s GLU 122 CO -0.01 -1.21 1.55 0.00 -0.49 0.00 0.00 175.26 175.11 1k4r n ALA 123 N -1.12 2.26 -1.98 5.21 0.00 -1.26 -2.28 120.51 121.34 1k4r n ALA 123 Ca 0.11 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1k4r n ALA 123 Cb 0.46 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.44 1k4r n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k4r n LYS 124 N 2.07 -1.33 -1.33 0.00 5.02 -1.26 -4.89 118.16 116.44 1k4r n LYS 124 Ca 0.09 0.97 -0.11 0.00 -2.02 0.00 0.00 58.31 57.24 1k4r n LYS 124 Cb 0.36 -5.35 0.11 0.00 -0.02 0.00 0.00 35.03 30.13 1k4r n LYS 124 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k4r n LYS 125 N -2.60 2.62 -4.07 1.97 4.76 -0.97 -4.64 118.16 115.23 1k4r n LYS 125 Ca -0.19 -3.70 -0.24 0.00 -2.87 0.00 0.00 58.31 51.31 1k4r n LYS 125 Cb 0.62 -1.98 -0.05 0.00 -1.84 0.00 0.00 35.03 31.78 1k4r n LYS 125 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1k4r s LYS 126 N -3.44 3.00 -0.22 1.97 1.02 -1.26 -0.31 119.74 120.50 1k4r s LYS 126 Ca 0.46 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1k4r s LYS 126 Cb 0.40 -2.66 0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1k4r s LYS 126 CO -0.01 0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 174.81 1k4r s ALA 127 N -1.91 1.97 -0.09 5.17 0.00 -0.34 -4.42 121.76 122.14 1k4r s ALA 127 Ca 0.32 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1k4r s ALA 127 Cb -0.09 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1k4r s ALA 127 CO 0.25 -1.06 -0.08 0.99 0.00 0.00 0.00 175.76 175.86 1k4r s THR 128 N 1.40 3.60 0.01 0.00 2.01 0.31 -0.31 115.64 122.65 1k4r s THR 128 Ca -0.04 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1k4r s THR 128 Cb -0.18 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1k4r s THR 128 CO -0.07 0.57 0.13 -0.83 -0.69 0.00 0.00 174.62 173.74 1k4r s GLY 129 N -0.45 2.10 0.03 4.40 0.00 -0.95 -0.80 107.32 111.65 1k4r s GLY 129 Ca 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1k4r s GLY 129 CO 0.02 -0.74 -0.13 0.30 0.00 0.00 0.00 173.10 172.55 1k4r s HIS 130 N -1.30 1.11 0.05 1.90 3.76 -0.39 -1.06 115.29 119.37 1k4r s HIS 130 Ca 0.26 -0.34 0.08 0.00 -0.15 0.00 0.00 55.06 54.92 1k4r s HIS 130 Cb -0.12 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 1k4r s HIS 130 CO 0.18 0.02 -0.24 0.14 -0.85 0.00 0.00 174.74 173.99 1k4r s VAL 131 N -0.82 1.93 0.36 -0.90 -7.23 -0.36 -1.01 120.40 112.37 1k4r s VAL 131 Ca 0.01 -1.32 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 1k4r s VAL 131 Cb -0.07 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1k4r s VAL 131 CO 0.01 0.29 0.70 -0.31 -0.31 0.00 0.00 175.10 175.47 1k4r s TYR 132 N -0.81 3.46 -0.24 2.82 2.02 -1.26 -3.27 117.35 120.07 1k4r s TYR 132 Ca 0.10 0.93 -0.00 0.00 -0.37 0.00 0.00 57.07 57.73 1k4r s TYR 132 Cb -0.09 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.16 1k4r s TYR 132 CO 0.02 0.00 -0.10 0.34 -1.57 0.00 0.00 175.55 174.25 1k4r s ASP 133 N -3.07 4.14 0.59 2.29 -1.08 -1.26 -4.99 116.67 113.29 1k4r s ASP 133 Ca 0.49 -0.97 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 1k4r s ASP 133 Cb -0.10 -1.60 1.54 0.00 -1.46 0.00 0.00 42.92 41.29 1k4r s ASP 133 CO 0.30 -0.12 1.96 0.00 0.52 0.00 0.00 175.17 177.82 1k4r h ALA 134 N 7.94 2.01 -0.00 3.66 0.00 -1.97 0.16 119.26 131.06 1k4r h ALA 134 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1k4r h ALA 134 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k4r h ALA 134 CO 0.56 -0.57 -0.12 0.09 0.00 0.00 0.00 179.25 179.22 1k4r n ASN 135 N -3.69 0.19 -0.03 0.00 3.02 -1.26 -3.80 115.26 109.69 1k4r n ASN 135 Ca 0.06 0.05 0.01 0.00 -0.03 0.00 0.00 54.58 54.67 1k4r n ASN 135 Cb 0.55 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 1k4r n ASN 135 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k4r n LYS 136 N -1.36 4.40 -2.31 3.52 5.02 0.51 -4.66 118.16 123.28 1k4r n LYS 136 Ca 0.09 -0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 1k4r n LYS 136 Cb 0.31 -0.72 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 1k4r n LYS 136 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1k4r s ILE 137 N -0.93 3.15 -0.07 -0.18 2.07 -0.87 -4.70 121.20 119.67 1k4r s ILE 137 Ca 0.01 1.08 0.04 0.00 -1.41 0.00 0.00 60.65 60.38 1k4r s ILE 137 Cb 0.02 -3.66 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 1k4r s ILE 137 CO 0.07 0.20 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.41 1k4r s VAL 138 N -1.26 2.50 -0.17 4.00 1.01 0.85 -4.53 120.40 122.81 1k4r s VAL 138 Ca 0.50 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1k4r s VAL 138 Cb -0.34 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1k4r s VAL 138 CO 0.43 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.67 1k4r s TYR 139 N -0.23 2.84 -0.19 5.22 1.51 -0.35 -1.57 117.35 124.58 1k4r s TYR 139 Ca -0.01 -1.01 -0.06 0.00 -1.01 0.00 0.00 57.07 54.99 1k4r s TYR 139 Cb -0.13 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1k4r s TYR 139 CO 0.03 -0.49 0.02 0.99 -1.11 0.00 0.00 175.55 175.00 1k4r s THR 140 N 0.99 4.25 -0.07 -0.71 2.01 -0.51 -0.61 115.64 120.98 1k4r s THR 140 Ca -0.01 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1k4r s THR 140 Cb -0.15 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1k4r s THR 140 CO -0.02 0.43 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.43 1k4r s VAL 141 N 0.80 2.22 0.01 3.82 1.01 0.41 0.04 120.40 128.70 1k4r s VAL 141 Ca 0.01 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1k4r s VAL 141 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1k4r s VAL 141 CO 0.02 0.56 -0.09 -0.54 0.00 0.00 0.00 175.10 175.06 1k4r s LYS 142 N -0.03 2.46 -0.02 2.72 1.02 -0.14 -0.39 119.74 125.36 1k4r s LYS 142 Ca -0.07 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1k4r s LYS 142 Cb -0.15 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1k4r s LYS 142 CO 0.05 0.59 -0.12 0.08 -0.92 0.00 0.00 175.35 175.03 1k4r s VAL 143 N -0.98 0.98 -0.04 3.17 1.01 -0.41 -1.62 120.40 122.51 1k4r s VAL 143 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1k4r s VAL 143 Cb -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1k4r s VAL 143 CO 0.07 0.29 0.07 -0.70 0.00 0.00 0.00 175.10 174.82 1k4r s GLU 144 N -0.10 -0.02 0.46 2.72 2.12 -0.02 -0.38 118.70 123.48 1k4r s GLU 144 Ca 0.01 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 1k4r s GLU 144 Cb -0.07 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.93 1k4r s GLU 144 CO 0.00 -0.22 0.93 -1.25 -0.54 0.00 0.00 175.26 174.18 1k4r s PRO 145 N 1.47 4.01 -0.63 4.30 0.04 -1.26 -0.60 135.00 142.34 1k4r s PRO 145 Ca -0.04 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 1k4r s PRO 145 Cb -0.12 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1k4r s PRO 145 CO -0.04 -0.14 1.12 -1.01 0.04 0.00 0.00 177.00 176.98 1k4r s HIS 146 N -2.42 2.57 -1.95 0.56 3.76 -0.26 -4.87 115.29 112.68 1k4r s HIS 146 Ca 0.58 0.05 0.20 0.00 -0.15 0.00 0.00 55.06 55.74 1k4r s HIS 146 Cb -0.10 -4.41 0.44 0.00 1.11 0.00 0.00 32.58 29.63 1k4r s HIS 146 CO 0.25 -1.67 1.37 0.25 -0.85 0.00 0.00 174.74 174.09 1k4r n THR 147 N 6.37 0.70 -1.06 1.30 -2.24 -1.26 -4.72 114.28 113.36 1k4r n THR 147 Ca 0.04 -0.85 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1k4r n THR 147 Cb 0.48 0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 1k4r n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k4r n GLY 148 N 1.30 0.55 3.28 3.38 0.00 -1.26 -4.30 105.19 108.14 1k4r n GLY 148 Ca 0.18 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1k4r n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k4r s ASP 149 N -2.45 3.46 -0.14 1.61 1.01 -1.26 -1.05 116.67 117.85 1k4r s ASP 149 Ca 0.00 -0.47 -0.16 0.00 0.71 0.00 0.00 52.55 52.63 1k4r s ASP 149 Cb 0.00 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.39 1k4r s ASP 149 CO 0.00 0.16 0.39 -0.47 0.21 0.00 0.00 175.17 175.46 1k4r s TYR 150 N 0.38 3.49 -0.07 4.23 5.04 -1.26 -4.23 117.35 124.92 1k4r s TYR 150 Ca -0.15 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.26 1k4r s TYR 150 Cb -0.17 -2.45 0.01 0.00 0.35 0.00 0.00 41.96 39.70 1k4r s TYR 150 CO 0.07 0.21 -0.14 0.08 -1.34 0.00 0.00 175.55 174.42 1k4r s VAL 151 N 0.53 1.30 0.85 3.14 1.01 -1.26 -4.99 120.40 120.97 1k4r s VAL 151 Ca 0.22 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1k4r s VAL 151 Cb -0.14 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.17 1k4r s VAL 151 CO 0.07 0.39 1.10 0.00 0.00 0.00 0.00 175.10 176.66 1k4r s ALA 152 N 0.64 1.95 0.41 5.51 0.00 -1.26 -4.66 121.76 124.34 1k4r s ALA 152 Ca -0.15 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.69 1k4r s ALA 152 Cb -0.16 -3.13 0.87 0.00 0.00 0.00 0.00 23.12 20.70 1k4r s ALA 152 CO 0.04 -2.01 2.06 0.00 0.00 0.00 0.00 175.76 175.85 1k4r h ALA 153 N -1.30 1.72 -0.05 0.00 0.00 -1.98 -1.40 119.26 116.25 1k4r h ALA 153 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k4r h ALA 153 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k4r h ALA 153 CO 0.58 0.26 0.00 0.27 0.00 0.00 0.00 179.25 180.36 1k4r n ASN 154 N -4.48 0.71 -4.74 0.00 6.94 -1.26 -4.85 115.26 107.59 1k4r n ASN 154 Ca 0.03 -1.45 -0.22 0.00 -0.02 0.00 0.00 54.58 52.92 1k4r n ASN 154 Cb 0.07 -0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1k4r n ASN 154 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1k4r s GLU 155 N -1.94 2.58 -0.20 -3.83 2.02 -0.53 -5.12 118.70 111.68 1k4r s GLU 155 Ca 0.34 -1.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 1k4r s GLU 155 Cb 0.17 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1k4r s GLU 155 CO 0.27 0.33 -0.00 0.95 0.02 0.00 0.00 175.26 176.83 1k4r s THR 156 N -2.26 3.92 -0.31 3.63 -4.23 -1.26 -4.78 115.64 110.35 1k4r s THR 156 Ca 0.33 -0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.23 1k4r s THR 156 Cb -0.06 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 71.02 1k4r s THR 156 CO 0.23 0.43 1.06 -2.28 -0.54 0.00 0.00 174.62 173.51 1k4r s HIS 157 N 1.02 3.16 0.65 3.99 2.46 -1.26 -4.93 115.29 120.39 1k4r s HIS 157 Ca 0.02 1.19 0.35 0.00 0.47 0.00 0.00 55.06 57.09 1k4r s HIS 157 Cb -0.14 -3.64 1.94 0.00 -0.13 0.00 0.00 32.58 30.61 1k4r s HIS 157 CO 0.02 -0.74 2.13 0.66 -2.47 0.00 0.00 174.74 174.34 1k4r h SER 158 N 8.06 0.00 -0.13 9.88 4.64 -2.01 -1.65 113.55 132.33 1k4r h SER 158 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k4r h SER 158 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1k4r h SER 158 CO 1.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.59 1k4r n GLY 159 N -1.21 0.59 3.72 -0.77 0.00 -1.26 -4.94 105.19 101.32 1k4r n GLY 159 Ca -0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1k4r n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k4r s ARG 160 N -1.84 4.47 0.17 1.61 3.52 -0.62 -4.36 118.95 121.89 1k4r s ARG 160 Ca 0.34 1.78 0.10 0.00 -0.13 0.00 0.00 55.73 57.82 1k4r s ARG 160 Cb 0.20 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1k4r s ARG 160 CO 0.30 -0.16 -0.18 0.15 -0.81 0.00 0.00 175.30 174.59 1k4r s LYS 161 N 0.54 1.73 -0.03 5.12 -0.14 0.49 -4.98 119.74 122.48 1k4r s LYS 161 Ca 0.56 -1.37 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 1k4r s LYS 161 Cb -0.30 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.84 1k4r s LYS 161 CO 0.32 0.43 -0.22 0.99 -0.76 0.00 0.00 175.35 176.10 1k4r s THR 162 N -1.55 1.80 -0.05 2.17 2.01 -1.26 -1.29 115.64 117.47 1k4r s THR 162 Ca 0.21 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1k4r s THR 162 Cb -0.09 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1k4r s THR 162 CO 0.11 0.51 -0.13 0.00 -0.69 0.00 0.00 174.62 174.43 1k4r s ALA 163 N -0.35 1.22 -0.05 7.40 0.00 0.48 -5.00 121.76 125.46 1k4r s ALA 163 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1k4r s ALA 163 Cb -0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1k4r s ALA 163 CO 0.01 0.16 -0.07 -1.12 0.00 0.00 0.00 175.76 174.74 1k4r s SER 164 N 0.38 4.59 0.01 0.00 0.01 -1.26 -0.45 113.70 116.99 1k4r s SER 164 Ca -0.09 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1k4r s SER 164 Cb -0.13 -1.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 1k4r s SER 164 CO 0.02 0.34 -0.14 -0.36 0.41 0.00 0.00 173.24 173.52 1k4r s PHE 165 N -0.85 1.23 0.18 2.43 0.08 0.22 -4.97 117.98 116.30 1k4r s PHE 165 Ca 0.13 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.92 1k4r s PHE 165 Cb -0.11 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1k4r s PHE 165 CO 0.03 0.01 -0.01 0.95 -0.10 0.00 0.00 175.22 176.10 1k4r s THR 166 N -0.57 0.77 0.42 0.64 -4.23 -1.16 -1.22 115.64 110.29 1k4r s THR 166 Ca 0.04 -1.99 0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1k4r s THR 166 Cb -0.06 -2.14 0.31 0.00 1.34 0.00 0.00 72.50 71.95 1k4r s THR 166 CO 0.00 -0.47 1.98 0.40 -0.54 0.00 0.00 174.62 176.00 1k4r h ILE 167 N 2.66 0.94 -0.01 2.99 2.04 -1.80 -1.79 117.51 122.54 1k4r h ILE 167 Ca -0.37 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1k4r h ILE 167 Cb 1.21 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1k4r h ILE 167 CO 0.63 0.09 -0.05 -1.54 0.00 0.00 0.00 178.15 177.28 1k4r n SER 168 N -4.48 0.74 -3.29 1.72 3.41 -1.26 -4.43 113.62 106.03 1k4r n SER 168 Ca 0.09 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.45 1k4r n SER 168 Cb 0.32 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 1k4r n SER 168 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k4r s SER 169 N -2.18 1.08 0.01 4.04 0.15 -0.67 -5.01 113.70 111.12 1k4r s SER 169 Ca 0.37 -2.57 0.25 0.00 0.70 0.00 0.00 55.95 54.69 1k4r s SER 169 Cb 0.21 0.07 0.45 0.00 -1.71 0.00 0.00 66.02 65.04 1k4r s SER 169 CO 0.40 -0.18 1.37 -1.84 1.20 0.00 0.00 173.24 174.20 1k4r n GLU 170 N 3.16 0.04 -4.97 5.44 0.28 -1.24 -2.99 120.64 120.35 1k4r n GLU 170 Ca 0.24 0.01 -0.27 0.00 -0.16 0.00 0.00 57.16 56.97 1k4r n GLU 170 Cb 0.48 -1.52 -0.16 0.00 1.43 0.00 0.00 31.44 31.67 1k4r n GLU 170 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1k4r s LYS 171 N -3.03 1.85 0.01 3.44 2.20 -1.26 -1.40 119.74 121.55 1k4r s LYS 171 Ca 0.10 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1k4r s LYS 171 Cb 0.17 -1.67 -0.01 0.00 -1.51 0.00 0.00 37.83 34.81 1k4r s LYS 171 CO 0.71 0.35 -0.06 0.99 -0.36 0.00 0.00 175.35 176.98 1k4r s THR 172 N -0.22 0.43 -0.21 3.43 2.01 -0.07 -5.00 115.64 116.01 1k4r s THR 172 Ca 0.01 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1k4r s THR 172 Cb -0.10 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 1k4r s THR 172 CO 0.01 -0.07 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.16 1k4r s ILE 173 N -0.57 3.10 -0.05 1.82 -1.09 -1.26 -0.28 121.20 122.87 1k4r s ILE 173 Ca -0.03 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1k4r s ILE 173 Cb -0.05 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1k4r s ILE 173 CO -0.00 0.45 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.36 1k4r s LEU 174 N 1.41 3.31 -0.42 2.97 1.43 0.55 -4.95 118.68 122.98 1k4r s LEU 174 Ca 0.05 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1k4r s LEU 174 Cb -0.14 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1k4r s LEU 174 CO -0.05 0.34 0.43 -0.89 0.23 0.00 0.00 176.35 176.41 1k4r s THR 175 N -0.90 5.10 -1.40 5.49 2.01 -1.26 -0.72 115.64 123.96 1k4r s THR 175 Ca 0.15 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1k4r s THR 175 Cb -0.11 -4.03 0.07 0.00 0.01 0.00 0.00 72.50 68.44 1k4r s THR 175 CO 0.04 -0.42 2.37 0.23 -0.69 0.00 0.00 174.62 176.16 1k4r n MET 176 N 5.57 3.92 0.00 4.92 0.00 0.50 -4.97 117.12 127.06 1k4r n MET 176 Ca -0.07 -3.08 0.00 0.00 0.00 0.00 0.00 57.70 54.55 1k4r n MET 176 Cb 0.47 -2.83 0.00 0.00 0.00 0.00 0.00 33.22 30.86 1k4r n MET 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k4r n GLY 177 N 2.73 3.55 0.33 3.03 0.00 -1.26 -1.01 105.19 112.55 1k4r n GLY 177 Ca 0.59 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.79 1k4r n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k4r n GLU 178 N 14.00 1.44 0.00 1.61 1.02 -1.26 -3.86 120.64 133.59 1k4r n GLU 178 Ca 0.00 -0.67 0.15 0.00 -0.02 0.00 0.00 57.16 56.62 1k4r n GLU 178 Cb 0.00 -1.49 0.75 0.00 -0.02 0.00 0.00 31.44 30.68 1k4r n GLU 178 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1k4r n TYR 179 N -0.19 0.00 0.00 -0.32 4.01 -0.18 -4.83 117.16 115.65 1k4r n TYR 179 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1k4r n TYR 179 Cb 0.28 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1k4r n TYR 179 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k4r n GLY 180 N 1.25 -1.55 3.81 2.72 0.00 -1.25 -0.40 105.19 109.77 1k4r n GLY 180 Ca 0.15 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1k4r n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k4r s ASP 181 N -4.00 5.86 -0.03 1.61 1.01 -1.20 -0.37 116.67 119.54 1k4r s ASP 181 Ca 0.00 0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.54 1k4r s ASP 181 Cb 0.00 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 1k4r s ASP 181 CO 0.00 0.29 -0.21 0.54 0.21 0.00 0.00 175.17 176.01 1k4r s VAL 182 N -1.18 1.66 -0.10 -1.27 0.11 0.10 -3.75 120.40 115.97 1k4r s VAL 182 Ca 0.22 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1k4r s VAL 182 Cb -0.12 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1k4r s VAL 182 CO 0.13 0.47 0.01 -0.94 -3.33 0.00 0.00 175.10 171.44 1k4r s SER 183 N -0.31 5.32 -0.14 3.54 1.04 -1.06 -0.33 113.70 121.76 1k4r s SER 183 Ca 0.03 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1k4r s SER 183 Cb -0.10 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.47 1k4r s SER 183 CO 0.01 0.35 -0.15 -0.76 0.98 0.00 0.00 173.24 173.68 1k4r s LEU 184 N -0.74 1.70 -0.31 2.42 1.43 0.62 -0.74 118.68 123.06 1k4r s LEU 184 Ca 0.12 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1k4r s LEU 184 Cb -0.12 -1.16 0.08 0.00 0.03 0.00 0.00 46.19 45.03 1k4r s LEU 184 CO 0.02 -0.03 -0.02 -0.22 0.23 0.00 0.00 176.35 176.33 1k4r s LEU 185 N 1.34 4.19 -0.14 1.79 0.20 -0.42 -0.89 118.68 124.74 1k4r s LEU 185 Ca 0.02 -1.80 -0.00 0.00 0.69 0.00 0.00 54.13 53.03 1k4r s LEU 185 Cb -0.13 -1.60 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1k4r s LEU 185 CO -0.08 -0.30 -0.13 0.00 -0.29 0.00 0.00 176.35 175.55 1k4r s ARG 187 N 0.53 2.95 0.52 0.00 0.52 -1.02 -4.64 118.95 117.81 1k4r s ARG 187 Ca -0.09 -1.09 0.19 0.00 -0.52 0.00 0.00 55.73 54.22 1k4r s ARG 187 Cb -0.16 -3.97 1.29 0.00 0.52 0.00 0.00 34.95 32.63 1k4r s ARG 187 CO 0.04 -0.79 2.09 0.28 0.02 0.00 0.00 175.30 176.93 1k4r h VAL 188 N 5.69 0.91 0.00 3.52 2.07 -1.90 -0.22 116.25 126.31 1k4r h VAL 188 Ca -0.27 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1k4r h VAL 188 Cb 1.12 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1k4r h VAL 188 CO 0.75 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 178.31 1k4r h ALA 189 N 1.89 1.12 -0.01 1.67 0.00 -1.95 0.13 119.26 122.11 1k4r h ALA 189 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k4r h ALA 189 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1k4r h ALA 189 CO -0.00 0.04 -0.11 -1.13 0.00 0.00 0.00 179.25 178.04 1k4r n SER 190 N -3.30 0.76 -3.00 0.00 3.41 -0.10 -4.89 113.62 106.49 1k4r n SER 190 Ca -0.02 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1k4r n SER 190 Cb 0.17 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1k4r n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k4r n GLY 191 N 1.25 -0.97 3.73 5.00 0.00 0.46 -4.60 105.19 110.05 1k4r n GLY 191 Ca 0.16 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1k4r n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k4r s VAL 192 N -0.07 3.02 0.01 1.61 1.01 -1.25 -4.99 120.40 119.74 1k4r s VAL 192 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 1k4r s VAL 192 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1k4r s VAL 192 CO 0.00 0.09 1.02 -0.62 0.00 0.00 0.00 175.10 175.58 1k4r s ASP 193 N 0.79 7.32 -0.05 3.32 2.15 -1.26 -4.94 116.67 124.01 1k4r s ASP 193 Ca 0.63 1.73 0.11 0.00 0.43 0.00 0.00 52.55 55.44 1k4r s ASP 193 Cb -0.39 -2.57 0.30 0.00 -0.30 0.00 0.00 42.92 39.95 1k4r s ASP 193 CO 0.35 -0.29 1.24 0.18 -0.17 0.00 0.00 175.17 176.47 1k4r n LEU 194 N 3.87 2.92 -0.22 -1.34 4.77 -1.26 -4.74 117.00 121.00 1k4r n LEU 194 Ca 0.06 -2.31 -0.01 0.00 -0.03 0.00 0.00 56.01 53.72 1k4r n LEU 194 Cb 0.50 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1k4r n LEU 194 CO 0.53 0.67 1.05 0.00 -1.33 0.00 0.00 177.39 178.31 1k4r h ALA 195 N 1.43 0.84 -0.57 -1.18 0.00 -1.94 -2.59 119.26 115.25 1k4r h ALA 195 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k4r h ALA 195 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1k4r h ALA 195 CO 0.05 -0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1k4r n GLN 196 N -4.86 2.65 -3.64 0.00 1.13 -1.26 -4.95 117.38 106.46 1k4r n GLN 196 Ca 0.08 -2.18 -0.37 0.00 -1.94 0.00 0.00 57.00 52.58 1k4r n GLN 196 Cb 0.20 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1k4r n GLN 196 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1k4r s THR 197 N -1.41 5.19 -0.04 5.09 2.01 -0.98 -0.25 115.64 125.25 1k4r s THR 197 Ca 0.40 0.59 0.01 0.00 0.31 0.00 0.00 61.69 63.00 1k4r s THR 197 Cb 0.23 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1k4r s THR 197 CO 0.24 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.00 1k4r s VAL 198 N -1.09 0.54 -0.32 3.82 1.01 -0.42 -4.62 120.40 119.31 1k4r s VAL 198 Ca 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 1k4r s VAL 198 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1k4r s VAL 198 CO 0.11 0.22 0.56 -0.63 0.00 0.00 0.00 175.10 175.36 1k4r s ILE 199 N 0.87 4.99 -0.16 2.22 -1.09 -0.18 -0.88 121.20 126.97 1k4r s ILE 199 Ca -0.12 0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 58.78 1k4r s ILE 199 Cb -0.14 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1k4r s ILE 199 CO 0.00 -0.14 0.36 -0.22 -1.23 0.00 0.00 174.94 173.72 1k4r s LEU 200 N 2.47 4.23 -0.07 2.97 2.96 0.37 -1.26 118.68 130.36 1k4r s LEU 200 Ca 0.22 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1k4r s LEU 200 Cb -0.15 -2.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1k4r s LEU 200 CO 0.12 0.03 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.27 1k4r s GLU 201 N 0.72 2.44 0.00 1.98 2.12 0.02 -1.45 118.70 124.53 1k4r s GLU 201 Ca 0.19 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1k4r s GLU 201 Cb -0.14 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1k4r s GLU 201 CO 0.06 0.25 0.00 1.28 -0.54 0.00 0.00 175.26 176.32 1k4r n LEU 202 N 3.26 0.00 -4.06 2.70 4.77 -1.26 -0.53 117.00 121.88 1k4r n LEU 202 Ca -0.19 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.46 1k4r n LEU 202 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1k4r n LEU 202 CO 0.26 0.00 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.46 1k4r s ASP 203 N -0.62 4.95 0.00 -1.43 2.15 -1.26 -4.78 116.67 115.68 1k4r s ASP 203 Ca 0.00 -2.19 0.03 0.00 0.43 0.00 0.00 52.55 50.81 1k4r s ASP 203 Cb 0.00 -1.72 0.12 0.00 -0.30 0.00 0.00 42.92 41.02 1k4r s ASP 203 CO 0.00 -0.43 1.07 2.29 -0.17 0.00 0.00 175.17 177.93 1k4r n LYS 204 N 4.28 0.00 0.00 4.34 2.85 -1.26 -1.86 118.16 126.51 1k4r n LYS 204 Ca 0.02 0.43 0.13 0.00 -1.05 0.00 0.00 58.31 57.84 1k4r n LYS 204 Cb 0.41 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 33.71 1k4r n LYS 204 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1k4r n THR 205 N -1.48 0.00 -2.20 0.58 -2.24 -1.26 -4.85 114.28 102.83 1k4r n THR 205 Ca 0.01 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1k4r n THR 205 Cb 0.03 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1k4r n THR 205 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k4r s VAL 206 N -2.85 3.53 0.17 2.28 1.01 -0.78 -4.94 120.40 118.82 1k4r s VAL 206 Ca 0.16 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1k4r s VAL 206 Cb 0.19 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1k4r s VAL 206 CO 0.60 0.04 1.42 -0.08 0.00 0.00 0.00 175.10 177.08 1k4r h GLU 207 N 7.33 0.36 -1.45 2.72 4.81 -1.90 -3.34 114.58 123.11 1k4r h GLU 207 Ca -0.40 -0.32 -0.71 0.00 -0.13 0.00 0.00 59.36 57.80 1k4r h GLU 207 Cb 1.20 0.07 -0.28 0.00 0.63 0.00 0.00 28.75 30.37 1k4r h GLU 207 CO 0.88 0.97 0.95 0.72 -0.73 0.00 0.00 179.01 181.80 1k4r n HIS 208 N -3.81 3.10 -3.67 0.92 8.25 -1.26 -4.91 115.22 113.84 1k4r n HIS 208 Ca -0.04 -2.71 -0.14 0.00 -0.26 0.00 0.00 57.72 54.57 1k4r n HIS 208 Cb 0.73 -1.34 -0.07 0.00 1.12 0.00 0.00 29.99 30.43 1k4r n HIS 208 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k4r s LEU 209 N -3.90 0.36 0.73 2.41 1.43 -1.26 -5.15 118.68 113.30 1k4r s LEU 209 Ca 0.59 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1k4r s LEU 209 Cb 0.48 1.73 0.04 0.00 0.03 0.00 0.00 46.19 48.47 1k4r s LEU 209 CO -0.19 -0.60 1.16 -2.84 0.23 0.00 0.00 176.35 174.11 1k4r s PRO 210 N -1.96 2.28 0.09 1.29 0.02 -1.26 -4.93 135.00 130.52 1k4r s PRO 210 Ca -0.08 1.56 0.27 0.00 0.02 0.00 0.00 61.00 62.77 1k4r s PRO 210 Cb -0.02 -1.87 1.06 0.00 0.02 0.00 0.00 34.50 33.69 1k4r s PRO 210 CO 0.01 -1.69 1.86 0.25 -0.33 0.00 0.00 177.00 177.10 1k4r n THR 211 N -2.82 0.27 -3.63 0.99 -2.24 -1.26 -4.93 114.28 100.65 1k4r n THR 211 Ca 0.12 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1k4r n THR 211 Cb 0.51 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1k4r n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k4r s ALA 212 N -3.04 -1.89 0.08 6.98 0.00 -1.25 -4.47 121.76 118.17 1k4r s ALA 212 Ca 0.12 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1k4r s ALA 212 Cb 0.16 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1k4r s ALA 212 CO 0.55 -0.86 -0.10 -1.58 0.00 0.00 0.00 175.76 173.76 1k4r s TRP 213 N -2.93 0.99 -0.37 0.00 0.51 -0.53 -1.06 118.94 115.55 1k4r s TRP 213 Ca 0.10 -0.60 -0.11 0.00 -2.12 0.00 0.00 56.10 53.37 1k4r s TRP 213 Cb 0.00 -0.56 0.03 0.00 -0.81 0.00 0.00 33.47 32.13 1k4r s TRP 213 CO -0.04 -0.02 0.20 -1.14 -0.51 0.00 0.00 176.95 175.45 1k4r s GLN 214 N -2.39 2.86 0.33 4.98 0.74 0.00 -0.47 119.66 125.71 1k4r s GLN 214 Ca 0.01 -1.05 0.09 0.00 0.05 0.00 0.00 55.36 54.46 1k4r s GLN 214 Cb -0.05 -3.71 -0.06 0.00 1.10 0.00 0.00 33.01 30.29 1k4r s GLN 214 CO 0.00 -0.68 -0.09 0.14 -0.55 0.00 0.00 175.29 174.11 1k4r s VAL 215 N 1.55 2.15 0.12 1.34 -7.23 -0.06 -4.21 120.40 114.07 1k4r s VAL 215 Ca 0.02 -2.20 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 1k4r s VAL 215 Cb -0.19 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 1k4r s VAL 215 CO 0.06 -0.22 1.03 -2.28 -0.31 0.00 0.00 175.10 173.38 1k4r s HIS 216 N -2.67 3.69 0.26 2.82 2.46 -1.26 -1.31 115.29 119.28 1k4r s HIS 216 Ca 0.32 1.67 -0.02 0.00 0.47 0.00 0.00 55.06 57.50 1k4r s HIS 216 Cb 0.02 -3.17 0.52 0.00 -0.13 0.00 0.00 32.58 29.82 1k4r s HIS 216 CO 0.16 -0.24 1.75 -0.09 -2.47 0.00 0.00 174.74 173.85 1k4r h ARG 217 N 5.68 0.54 -0.35 2.88 2.43 -0.93 -1.47 114.38 123.16 1k4r h ARG 217 Ca -0.43 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.61 1k4r h ARG 217 Cb 1.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1k4r h ARG 217 CO 0.73 0.36 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.94 1k4r h ASP 218 N 0.55 0.64 -0.09 -3.80 3.32 -1.93 -0.74 116.42 114.37 1k4r h ASP 218 Ca 0.45 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1k4r h ASP 218 Cb 0.66 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1k4r h ASP 218 CO -0.38 0.82 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.71 1k4r h TRP 219 N 0.58 0.18 -0.53 4.55 7.01 -1.76 -2.86 115.95 123.11 1k4r h TRP 219 Ca 0.09 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1k4r h TRP 219 Cb 0.62 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 1k4r h TRP 219 CO 0.03 0.43 0.30 0.35 -2.79 0.00 0.00 178.44 176.76 1k4r h PHE 220 N -0.13 0.56 0.00 2.65 3.57 -1.17 -1.96 116.94 120.46 1k4r h PHE 220 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1k4r h PHE 220 Cb 0.37 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1k4r h PHE 220 CO 0.04 0.30 0.00 0.09 -2.23 0.00 0.00 178.31 176.51 1k4r n ASN 221 N -4.82 0.56 -1.15 0.41 5.03 -0.30 -2.69 115.26 112.31 1k4r n ASN 221 Ca 0.04 0.66 0.11 0.00 0.87 0.00 0.00 54.58 56.26 1k4r n ASN 221 Cb 0.10 -0.77 0.24 0.00 -1.02 0.00 0.00 39.78 38.34 1k4r n ASN 221 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1k4r n ASP 222 N -2.14 3.54 -4.73 6.41 9.92 -0.74 -4.98 116.55 123.84 1k4r n ASP 222 Ca 0.02 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.79 51.88 1k4r n ASP 222 Cb 0.18 -0.33 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 1k4r n ASP 222 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1k4r s LEU 223 N -1.24 4.37 -1.34 0.64 1.43 -1.09 -4.87 118.68 116.57 1k4r s LEU 223 Ca 0.40 2.75 -0.10 0.00 -1.03 0.00 0.00 54.13 56.16 1k4r s LEU 223 Cb 0.22 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.95 1k4r s LEU 223 CO 0.30 -0.87 2.11 0.00 0.23 0.00 0.00 176.35 178.12 1k4r n ALA 224 N 3.49 5.81 -2.15 4.21 0.00 -1.26 -4.90 120.51 125.71 1k4r n ALA 224 Ca 0.13 -4.14 -0.10 0.00 0.00 0.00 0.00 53.44 49.33 1k4r n ALA 224 Cb 0.38 -3.07 -0.10 0.00 0.00 0.00 0.00 19.45 16.65 1k4r n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k4r s LEU 225 N -0.04 2.32 0.52 0.00 1.43 -1.26 -4.95 118.68 116.70 1k4r s LEU 225 Ca 0.45 -1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1k4r s LEU 225 Cb 0.13 0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.38 1k4r s LEU 225 CO -0.03 -0.57 1.24 -2.84 0.23 0.00 0.00 176.35 174.38 1k4r s PRO 226 N -3.91 3.35 0.11 1.29 0.02 -1.26 -4.85 135.00 129.75 1k4r s PRO 226 Ca 0.14 1.95 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 1k4r s PRO 226 Cb 0.07 -2.24 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1k4r s PRO 226 CO -0.04 -0.93 0.11 1.67 -0.33 0.00 0.00 177.00 177.48 1k4r s TRP 227 N -1.47 0.54 0.23 6.54 1.48 -0.74 -0.84 118.94 124.68 1k4r s TRP 227 Ca 0.70 -0.96 -0.22 0.00 -1.06 0.00 0.00 56.10 54.55 1k4r s TRP 227 Cb -0.33 -0.28 0.05 0.00 -1.16 0.00 0.00 33.47 31.74 1k4r s TRP 227 CO 0.39 -0.54 0.85 -1.59 -4.06 0.00 0.00 176.95 172.00 1k4r s LYS 228 N -3.96 1.57 0.27 3.25 -2.85 -0.53 -0.11 119.74 117.38 1k4r s LYS 228 Ca 0.15 -0.90 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 1k4r s LYS 228 Cb 0.06 0.51 -0.07 0.00 -2.06 0.00 0.00 37.83 36.27 1k4r s LYS 228 CO -0.04 -0.72 0.62 -1.01 0.10 0.00 0.00 175.35 174.29 1k4r s HIS 229 N -3.35 3.42 0.54 1.78 3.76 -1.26 -1.23 115.29 118.94 1k4r s HIS 229 Ca 0.13 0.96 -0.21 0.00 -0.15 0.00 0.00 55.06 55.78 1k4r s HIS 229 Cb -0.04 -2.33 -0.06 0.00 1.11 0.00 0.00 32.58 31.26 1k4r s HIS 229 CO 0.05 0.19 1.18 -1.91 -0.85 0.00 0.00 174.74 173.40 1k4r n GLU 230 N -0.35 1.41 0.00 1.40 2.13 -1.26 -1.59 120.64 122.37 1k4r n GLU 230 Ca 0.01 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1k4r n GLU 230 Cb 0.53 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1k4r n GLU 230 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k4r n GLY 231 N 0.99 2.41 3.76 8.31 0.00 -1.26 -5.00 105.19 114.40 1k4r n GLY 231 Ca 0.11 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1k4r n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k4r s ALA 232 N -0.92 2.64 -0.04 4.61 0.00 -0.62 -4.97 121.76 122.46 1k4r s ALA 232 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1k4r s ALA 232 Cb 0.00 -3.43 -0.29 0.00 0.00 0.00 0.00 23.12 19.40 1k4r s ALA 232 CO 0.00 -1.03 0.71 0.37 0.00 0.00 0.00 175.76 175.80 1k4r h GLN 233 N 1.11 0.33 -6.13 0.00 4.15 -1.94 -3.47 115.11 109.16 1k4r h GLN 233 Ca -0.50 -0.56 -0.53 0.00 0.77 0.00 0.00 58.65 57.82 1k4r h GLN 233 Cb 1.28 0.21 -0.07 0.00 0.21 0.00 0.00 27.48 29.12 1k4r h GLN 233 CO 0.56 1.22 -0.53 -0.80 -1.93 0.00 0.00 178.83 177.35 1k4r s ASN 234 N -7.14 4.84 -0.08 -0.69 0.01 -1.26 -5.04 114.94 105.58 1k4r s ASN 234 Ca -0.14 -0.67 -0.07 0.00 -0.71 0.00 0.00 52.86 51.27 1k4r s ASN 234 Cb 0.06 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 1k4r s ASN 234 CO 0.85 -0.26 0.19 0.26 -1.51 0.00 0.00 177.10 176.63 1k4r s TRP 235 N -2.37 3.60 0.12 2.20 0.52 -1.26 -4.75 118.94 117.00 1k4r s TRP 235 Ca 0.37 0.56 -0.10 0.00 0.02 0.00 0.00 56.10 56.95 1k4r s TRP 235 Cb -0.04 -1.96 -0.06 0.00 -1.15 0.00 0.00 33.47 30.25 1k4r s TRP 235 CO 0.23 0.70 0.45 -0.80 0.02 0.00 0.00 176.95 177.55 1k4r s ASN 236 N -1.26 6.67 -1.46 2.95 0.02 0.85 -4.26 114.94 118.45 1k4r s ASN 236 Ca 0.19 0.85 -0.10 0.00 -1.02 0.00 0.00 52.86 52.78 1k4r s ASN 236 Cb -0.13 -2.20 0.04 0.00 0.02 0.00 0.00 41.25 38.99 1k4r s ASN 236 CO 0.09 0.12 0.91 0.59 0.02 0.00 0.00 177.10 178.83 1k4r n ASN 237 N 0.69 -5.51 0.29 -1.22 5.03 -1.26 -1.79 115.26 111.50 1k4r n ASN 237 Ca -0.06 -0.55 0.16 0.00 0.87 0.00 0.00 54.58 55.01 1k4r n ASN 237 Cb 0.52 -4.40 0.91 0.00 -1.02 0.00 0.00 39.78 35.79 1k4r n ASN 237 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k4r h ALA 238 N 0.99 1.27 0.00 5.41 0.00 -1.94 -1.78 119.26 123.22 1k4r h ALA 238 Ca -0.55 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1k4r h ALA 238 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1k4r h ALA 238 CO 0.60 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.95 1k4r h GLU 239 N 0.00 0.00 0.00 0.00 9.09 -1.90 -2.30 114.58 119.48 1k4r h GLU 239 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1k4r h GLU 239 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1k4r h GLU 239 CO 0.01 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.07 1k4r h ARG 240 N 0.00 0.00 -0.14 1.06 3.08 -1.70 -2.26 114.38 114.42 1k4r h ARG 240 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k4r h ARG 240 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1k4r h ARG 240 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1k4r n LEU 241 N -3.04 2.68 -4.10 3.04 4.77 -0.86 -4.98 117.00 114.51 1k4r n LEU 241 Ca -0.02 -2.43 -0.23 0.00 -0.03 0.00 0.00 56.01 53.30 1k4r n LEU 241 Cb 0.11 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 1k4r n LEU 241 CO 0.21 0.64 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.74 1k4r s VAL 242 N -1.76 1.13 0.05 4.08 1.01 -0.85 -1.36 120.40 122.70 1k4r s VAL 242 Ca 0.21 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1k4r s VAL 242 Cb 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1k4r s VAL 242 CO 0.07 0.32 -0.15 -0.70 0.00 0.00 0.00 175.10 174.64 1k4r s GLU 243 N -0.25 0.95 -0.07 2.72 2.56 -0.10 -4.89 118.70 119.62 1k4r s GLU 243 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 54.97 54.18 1k4r s GLU 243 Cb -0.06 -0.99 -0.02 0.00 2.00 0.00 0.00 34.13 35.06 1k4r s GLU 243 CO -0.00 0.24 -0.13 -0.06 -0.56 0.00 0.00 175.26 174.75 1k4r s PHE 244 N -0.97 2.76 0.71 5.30 0.08 -1.26 0.34 117.98 124.94 1k4r s PHE 244 Ca 0.01 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 56.71 1k4r s PHE 244 Cb -0.09 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1k4r s PHE 244 CO 0.02 0.11 1.07 0.20 -0.10 0.00 0.00 175.22 176.51 1k4r s GLY 245 N -0.47 1.62 0.32 4.36 0.00 0.77 -4.97 107.32 108.94 1k4r s GLY 245 Ca 0.06 -0.55 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 1k4r s GLY 245 CO 0.02 -0.16 1.38 0.00 0.00 0.00 0.00 173.10 174.33 1k4r s ALA 246 N -3.32 3.55 0.48 3.20 0.00 -1.26 -4.51 121.76 119.90 1k4r s ALA 246 Ca 0.58 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.68 1k4r s ALA 246 Cb -0.11 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1k4r s ALA 246 CO 0.49 -0.74 1.01 -1.25 0.00 0.00 0.00 175.76 175.27 1k4r s PRO 247 N -1.45 3.88 -0.18 0.00 0.04 -1.26 -4.64 135.00 131.39 1k4r s PRO 247 Ca 0.53 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1k4r s PRO 247 Cb -0.42 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1k4r s PRO 247 CO 0.52 -0.35 0.10 -3.38 0.04 0.00 0.00 177.00 173.93 1k4r s HIS 248 N -2.13 0.19 0.00 0.56 -3.43 -0.42 -4.82 115.29 105.24 1k4r s HIS 248 Ca 0.65 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 1k4r s HIS 248 Cb -0.14 -0.70 0.00 0.00 -1.43 0.00 0.00 32.58 30.31 1k4r s HIS 248 CO 0.21 -0.54 0.00 0.00 -2.00 0.00 0.00 174.74 172.40 1k4r n ALA 249 N 5.28 0.00 -1.07 -1.38 0.00 -1.26 -2.45 120.51 119.63 1k4r n ALA 249 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1k4r n ALA 249 Cb 0.48 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.20 1k4r n ALA 249 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1k4r n VAL 250 N 0.00 2.47 -4.13 0.00 0.24 -1.26 -4.76 118.33 110.89 1k4r n VAL 250 Ca 0.00 -1.96 -0.15 0.00 -2.04 0.00 0.00 64.34 60.20 1k4r n VAL 250 Cb 0.00 -0.28 -0.11 0.00 -1.47 0.00 0.00 33.84 31.97 1k4r n VAL 250 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1k4r s LYS 251 N -2.92 0.71 -0.19 7.34 1.02 -1.02 -4.86 119.74 119.82 1k4r s LYS 251 Ca 0.45 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 1k4r s LYS 251 Cb 0.37 -0.51 0.09 0.00 -0.52 0.00 0.00 37.83 37.26 1k4r s LYS 251 CO 0.09 0.10 0.39 1.41 -0.92 0.00 0.00 175.35 176.41 1k4r s MET 252 N -2.05 0.29 0.40 1.68 1.75 -1.26 -1.29 119.30 118.82 1k4r s MET 252 Ca -0.03 0.98 -0.23 0.00 -1.25 0.00 0.00 55.69 55.16 1k4r s MET 252 Cb -0.07 0.27 -0.10 0.00 2.84 0.00 0.00 34.83 37.77 1k4r s MET 252 CO 0.01 -0.25 1.00 -0.51 -0.65 0.00 0.00 175.02 174.61 1k4r s ASP 253 N 2.55 6.90 -0.14 1.11 1.01 -1.26 -4.89 116.67 121.95 1k4r s ASP 253 Ca -0.01 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.15 1k4r s ASP 253 Cb -0.12 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1k4r s ASP 253 CO -0.12 -0.39 -0.16 -0.69 0.21 0.00 0.00 175.17 174.02 1k4r s VAL 254 N -1.79 2.63 -0.06 -1.27 1.01 -1.26 -0.16 120.40 119.49 1k4r s VAL 254 Ca 0.58 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1k4r s VAL 254 Cb -0.18 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1k4r s VAL 254 CO 0.23 0.52 -0.12 -0.31 0.00 0.00 0.00 175.10 175.42 1k4r s TYR 255 N 0.67 2.79 -0.19 5.22 2.02 0.15 -4.98 117.35 123.03 1k4r s TYR 255 Ca -0.08 -0.11 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1k4r s TYR 255 Cb -0.16 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 1k4r s TYR 255 CO 0.02 0.22 0.10 1.21 -1.57 0.00 0.00 175.55 175.53 1k4r s ASN 256 N -0.71 5.93 0.00 2.29 3.84 -1.26 -0.93 114.94 124.10 1k4r s ASN 256 Ca 0.11 0.15 0.14 0.00 0.21 0.00 0.00 52.86 53.47 1k4r s ASN 256 Cb -0.11 -2.03 0.85 0.00 -0.55 0.00 0.00 41.25 39.41 1k4r s ASN 256 CO 0.01 0.17 1.34 0.18 -2.79 0.00 0.00 177.10 176.01 1k4r n LEU 257 N 3.58 0.00 -0.20 3.21 4.77 -0.47 -4.99 117.00 122.91 1k4r n LEU 257 Ca -0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.84 1k4r n LEU 257 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1k4r n LEU 257 CO 0.36 0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.99 1k4r n GLY 258 N 0.31 -1.48 3.66 -0.72 0.00 -1.26 -4.84 105.19 100.86 1k4r n GLY 258 Ca 0.11 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1k4r n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k4r s ASP 259 N -3.18 6.67 0.00 1.61 -1.08 -1.26 -4.68 116.67 114.76 1k4r s ASP 259 Ca 0.00 2.13 0.25 0.00 -0.52 0.00 0.00 52.55 54.41 1k4r s ASP 259 Cb 0.00 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 40.02 1k4r s ASP 259 CO 0.00 -0.94 1.75 0.00 0.52 0.00 0.00 175.17 176.51 1k4r n GLN 260 N 7.12 1.52 -0.16 4.34 1.13 0.74 -4.36 117.38 127.70 1k4r n GLN 260 Ca 0.17 -0.76 -0.03 0.00 -1.94 0.00 0.00 57.00 54.44 1k4r n GLN 260 Cb 0.43 -1.44 0.06 0.00 0.11 0.00 0.00 30.24 29.41 1k4r n GLN 260 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1k4r h THR 261 N 1.71 0.77 -0.83 5.09 2.02 -1.91 0.04 112.91 119.79 1k4r h THR 261 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1k4r h THR 261 Cb 0.37 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1k4r h THR 261 CO 0.00 0.05 0.54 1.23 0.37 0.00 0.00 175.52 177.71 1k4r h GLY 262 N 0.28 1.18 0.85 2.16 0.00 -1.98 0.11 103.07 105.67 1k4r h GLY 262 Ca 0.24 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1k4r h GLY 262 CO -0.29 0.45 0.02 -2.08 0.00 0.00 0.00 176.54 174.63 1k4r h VAL 263 N 1.14 1.25 -0.39 4.60 2.07 -1.57 -2.74 116.25 120.61 1k4r h VAL 263 Ca 0.30 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1k4r h VAL 263 Cb -0.10 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1k4r h VAL 263 CO -0.06 0.27 0.18 0.25 0.02 0.00 0.00 177.57 178.22 1k4r h LEU 264 N 0.21 0.52 -1.84 2.57 5.85 -0.32 -2.84 115.31 119.45 1k4r h LEU 264 Ca 0.07 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1k4r h LEU 264 Cb 0.38 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1k4r h LEU 264 CO 0.01 0.51 0.24 -0.07 -0.34 0.00 0.00 178.44 178.80 1k4r h LEU 265 N 0.49 0.17 -0.39 2.25 3.38 -0.75 0.01 115.31 120.47 1k4r h LEU 265 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1k4r h LEU 265 Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1k4r h LEU 265 CO -0.01 0.11 -0.44 0.11 0.09 0.00 0.00 178.44 178.30 1k4r h LYS 266 N 0.20 0.89 -0.13 1.13 1.57 -1.26 -2.66 116.57 116.30 1k4r h LYS 266 Ca 0.16 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 1k4r h LYS 266 Cb 0.39 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1k4r h LYS 266 CO -0.03 1.14 -0.27 0.00 -0.57 0.00 0.00 179.45 179.72 1k4r h ALA 267 N 0.78 1.29 -0.00 3.86 0.00 -0.89 -3.05 119.26 121.25 1k4r h ALA 267 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1k4r h ALA 267 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1k4r h ALA 267 CO 0.10 0.48 -0.05 1.28 0.00 0.00 0.00 179.25 181.07 1k4r n LEU 268 N -4.14 0.21 -4.75 0.00 4.77 -0.22 -4.78 117.00 108.09 1k4r n LEU 268 Ca -0.01 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 1k4r n LEU 268 Cb 0.38 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1k4r n LEU 268 CO 0.40 0.04 0.97 0.00 -1.33 0.00 0.00 177.39 177.47 1k4r s ALA 269 N -2.47 3.51 0.00 -1.18 0.00 -1.03 -2.18 121.76 118.41 1k4r s ALA 269 Ca 0.31 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1k4r s ALA 269 Cb 0.20 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1k4r s ALA 269 CO 0.46 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1k4r n GLY 270 N 1.53 2.18 3.81 0.00 0.00 -1.26 -5.01 105.19 106.44 1k4r n GLY 270 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1k4r n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k4r s VAL 271 N -2.83 4.62 0.36 1.61 1.01 -0.92 -5.04 120.40 119.22 1k4r s VAL 271 Ca 0.00 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 1k4r s VAL 271 Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1k4r s VAL 271 CO 0.00 0.38 1.25 -2.16 0.00 0.00 0.00 175.10 174.57 1k4r s PRO 272 N -1.55 4.21 0.63 2.72 0.04 -1.26 -4.91 135.00 134.89 1k4r s PRO 272 Ca 0.36 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.38 1k4r s PRO 272 Cb -0.19 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1k4r s PRO 272 CO 0.21 -0.26 1.01 0.14 0.04 0.00 0.00 177.00 178.14 1k4r s VAL 273 N -1.24 4.06 0.10 -0.36 -7.23 -1.26 -0.81 120.40 113.65 1k4r s VAL 273 Ca 0.52 0.50 0.01 0.00 -1.81 0.00 0.00 61.98 61.20 1k4r s VAL 273 Cb -0.36 -3.64 -0.00 0.00 0.56 0.00 0.00 36.38 32.93 1k4r s VAL 273 CO 0.47 -0.79 0.04 0.00 -0.31 0.00 0.00 175.10 174.52 1k4r n ALA 274 N -2.77 0.15 -3.26 1.32 0.00 -0.23 -4.29 120.51 111.43 1k4r n ALA 274 Ca 0.06 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1k4r n ALA 274 Cb 0.56 0.36 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 1k4r n ALA 274 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1k4r s HIS 275 N -2.02 -0.36 -0.10 0.00 2.46 -0.87 -3.86 115.29 110.54 1k4r s HIS 275 Ca 0.06 0.83 0.03 0.00 0.47 0.00 0.00 55.06 56.46 1k4r s HIS 275 Cb 0.00 0.13 -0.00 0.00 -0.13 0.00 0.00 32.58 32.58 1k4r s HIS 275 CO 0.04 -0.25 -0.22 0.42 -2.47 0.00 0.00 174.74 172.27 1k4r s ILE 276 N -0.18 2.27 -0.46 0.89 1.01 -1.26 -0.21 121.20 123.27 1k4r s ILE 276 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1k4r s ILE 276 Cb -0.03 -1.89 0.13 0.00 0.01 0.00 0.00 42.46 40.69 1k4r s ILE 276 CO 0.02 0.55 0.24 -0.70 0.00 0.00 0.00 174.94 175.05 1k4r s GLU 277 N 0.32 1.45 6.49 2.79 2.56 -0.26 -5.00 118.70 127.05 1k4r s GLU 277 Ca -0.17 -2.14 0.00 0.00 0.00 0.00 0.00 54.97 52.66 1k4r s GLU 277 Cb -0.17 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.38 1k4r s GLU 277 CO 0.08 -1.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.05 1k4r n GLY 278 N 3.46 1.92 0.61 -1.50 0.00 -1.26 -1.55 105.19 106.86 1k4r n GLY 278 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1k4r n GLY 278 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k4r n THR 279 N 0.00 0.00 -3.21 2.61 -2.24 -1.26 -4.92 114.28 105.26 1k4r n THR 279 Ca 0.00 -0.32 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1k4r n THR 279 Cb 0.00 1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 69.40 1k4r n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k4r s LYS 280 N -2.33 4.15 -0.42 -0.78 1.02 -0.60 -0.67 119.74 120.12 1k4r s LYS 280 Ca 0.22 0.43 -0.12 0.00 0.02 0.00 0.00 55.97 56.53 1k4r s LYS 280 Cb 0.19 -3.60 0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1k4r s LYS 280 CO 0.48 -0.24 0.28 0.71 -0.92 0.00 0.00 175.35 175.66 1k4r s TYR 281 N 1.94 3.28 0.07 3.18 1.51 -0.23 -1.10 117.35 125.99 1k4r s TYR 281 Ca 0.24 -1.17 -0.09 0.00 -1.01 0.00 0.00 57.07 55.04 1k4r s TYR 281 Cb -0.16 -2.84 -0.06 0.00 -0.11 0.00 0.00 41.96 38.80 1k4r s TYR 281 CO 0.09 -0.77 0.38 -1.01 -1.11 0.00 0.00 175.55 173.13 1k4r s HIS 282 N 1.53 3.58 0.19 2.71 3.76 0.71 -2.19 115.29 125.58 1k4r s HIS 282 Ca 0.03 0.74 -0.09 0.00 -0.15 0.00 0.00 55.06 55.59 1k4r s HIS 282 Cb -0.22 -2.12 -0.07 0.00 1.11 0.00 0.00 32.58 31.28 1k4r s HIS 282 CO 0.05 0.54 0.51 -0.51 -0.85 0.00 0.00 174.74 174.47 1k4r s LEU 283 N -1.89 4.22 0.00 0.89 1.43 -0.15 -2.05 118.68 121.13 1k4r s LEU 283 Ca 0.32 0.87 0.15 0.00 -1.03 0.00 0.00 54.13 54.44 1k4r s LEU 283 Cb -0.14 -3.50 0.18 0.00 0.03 0.00 0.00 46.19 42.76 1k4r s LEU 283 CO 0.18 -0.01 1.06 0.29 0.23 0.00 0.00 176.35 178.10 1k4r n LYS 284 N 0.12 1.48 -3.81 1.70 4.76 -1.26 -4.50 118.16 116.65 1k4r n LYS 284 Ca -0.01 -1.59 -0.12 0.00 -2.87 0.00 0.00 58.31 53.71 1k4r n LYS 284 Cb 0.52 -1.31 -0.12 0.00 -1.84 0.00 0.00 35.03 32.28 1k4r n LYS 284 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k4r s SER 285 N -1.23 -0.20 0.00 4.39 0.15 -1.26 -4.87 113.70 110.68 1k4r s SER 285 Ca 0.21 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1k4r s SER 285 Cb 0.14 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1k4r s SER 285 CO 0.20 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1k4r n GLY 286 N 2.87 0.66 3.54 9.45 0.00 -1.26 -4.99 105.19 115.46 1k4r n GLY 286 Ca -0.13 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1k4r n GLY 286 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1k4r s HIS 287 N -2.00 -0.02 -0.11 1.61 -3.43 -1.26 -0.98 115.29 109.10 1k4r s HIS 287 Ca 0.00 -0.33 -0.27 0.00 -0.80 0.00 0.00 55.06 53.66 1k4r s HIS 287 Cb 0.00 0.36 0.06 0.00 -1.43 0.00 0.00 32.58 31.57 1k4r s HIS 287 CO 0.00 -0.94 0.64 0.54 -2.00 0.00 0.00 174.74 172.98 1k4r s VAL 288 N -3.90 0.01 -0.15 -5.38 0.11 -0.26 -3.82 120.40 107.00 1k4r s VAL 288 Ca 0.12 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1k4r s VAL 288 Cb -0.01 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1k4r s VAL 288 CO -0.00 -0.03 0.10 0.42 -3.33 0.00 0.00 175.10 172.26 1k4r s THR 289 N -0.75 5.14 0.16 5.04 -4.23 -1.26 -0.74 115.64 119.00 1k4r s THR 289 Ca -0.08 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1k4r s THR 289 Cb -0.02 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1k4r s THR 289 CO 0.07 0.53 -0.15 0.00 -0.54 0.00 0.00 174.62 174.53 1k4r s GLU 291 N -3.03 3.32 -0.21 0.00 2.02 0.70 -0.75 118.70 120.76 1k4r s GLU 291 Ca 0.15 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 1k4r s GLU 291 Cb -0.04 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1k4r s GLU 291 CO 0.05 0.01 0.01 0.08 0.02 0.00 0.00 175.26 175.43 1k4r s VAL 292 N 0.88 4.02 -0.27 2.63 1.01 0.14 -1.30 120.40 127.52 1k4r s VAL 292 Ca -0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1k4r s VAL 292 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1k4r s VAL 292 CO -0.00 0.42 0.29 -0.83 0.00 0.00 0.00 175.10 174.98 1k4r s GLY 293 N 1.06 1.92 -0.00 4.51 0.00 0.08 -1.13 107.32 113.76 1k4r s GLY 293 Ca 0.02 -0.90 0.17 0.00 0.00 0.00 0.00 44.72 44.01 1k4r s GLY 293 CO 0.02 0.80 0.68 1.04 0.00 0.00 0.00 173.10 175.64 1k4r n LEU 294 N 5.08 0.70 -0.29 0.66 4.77 0.10 -2.58 117.00 125.44 1k4r n LEU 294 Ca -0.11 -0.43 0.32 0.00 -0.03 0.00 0.00 56.01 55.76 1k4r n LEU 294 Cb 0.51 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.32 1k4r n LEU 294 CO 0.36 0.18 1.30 1.05 -1.33 0.00 0.00 177.39 178.94 1k4r h GLU 295 N 0.00 0.05 -0.09 3.23 9.09 -1.89 -0.46 114.58 124.51 1k4r h GLU 295 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1k4r h GLU 295 Cb 0.46 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1k4r h GLU 295 CO 0.00 0.03 0.00 1.63 0.05 0.00 0.00 179.01 180.72 1k4r n LYS 296 N -4.25 1.78 -2.99 1.06 4.76 -1.26 -4.91 118.16 112.35 1k4r n LYS 296 Ca 0.24 -1.15 -0.40 0.00 -2.87 0.00 0.00 58.31 54.13 1k4r n LYS 296 Cb 1.15 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.83 1k4r n LYS 296 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k4r s LEU 297 N -1.81 4.55 0.02 -0.35 1.43 -0.18 -3.26 118.68 119.07 1k4r s LEU 297 Ca 0.35 1.57 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 1k4r s LEU 297 Cb 0.20 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1k4r s LEU 297 CO 0.30 0.15 -0.16 -1.59 0.23 0.00 0.00 176.35 175.28 1k4r s LYS 298 N -0.78 1.12 0.69 1.70 -2.85 0.46 -4.83 119.74 115.26 1k4r s LYS 298 Ca 0.37 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 54.51 1k4r s LYS 298 Cb -0.22 -1.14 0.01 0.00 -2.06 0.00 0.00 37.83 34.42 1k4r s LYS 298 CO 0.25 0.29 1.06 -1.64 0.10 0.00 0.00 175.35 175.41 1k4r s MET 299 N -0.89 2.96 -0.07 1.78 -1.94 -1.26 -4.56 119.30 115.32 1k4r s MET 299 Ca 0.04 0.91 0.02 0.00 -1.71 0.00 0.00 55.69 54.95 1k4r s MET 299 Cb -0.07 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1k4r s MET 299 CO 0.01 -1.07 -0.12 0.21 -0.01 0.00 0.00 175.02 174.04 1k4r s LYS 300 N -5.07 2.73 -0.04 2.03 2.20 -1.26 -4.70 119.74 115.63 1k4r s LYS 300 Ca 0.58 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1k4r s LYS 300 Cb -0.14 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1k4r s LYS 300 CO 0.55 0.57 0.00 0.41 -0.36 0.00 0.00 175.35 176.52 1k4r n GLY 301 N 2.48 0.41 0.29 5.54 0.00 -1.26 -4.92 105.19 107.73 1k4r n GLY 301 Ca -0.18 -1.07 0.17 0.00 0.00 0.00 0.00 46.02 44.95 1k4r n GLY 301 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k4r h LEU 302 N 0.00 0.00 -2.92 0.99 3.38 -1.95 -2.88 115.31 111.93 1k4r h LEU 302 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k4r h LEU 302 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1k4r h LEU 302 CO 0.01 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1k4r n THR 303 N -3.29 1.30 -1.67 0.22 -2.24 -1.26 -4.97 114.28 102.38 1k4r n THR 303 Ca -0.01 -1.11 -0.31 0.00 -2.27 0.00 0.00 64.05 60.36 1k4r n THR 303 Cb 0.22 0.36 0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1k4r n THR 303 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1k4r s TYR 304 N -1.34 3.17 0.62 4.78 2.02 -1.09 -5.05 117.35 120.47 1k4r s TYR 304 Ca 0.43 1.27 -0.07 0.00 -0.37 0.00 0.00 57.07 58.33 1k4r s TYR 304 Cb 0.25 -2.94 0.01 0.00 -0.40 0.00 0.00 41.96 38.88 1k4r s TYR 304 CO 0.25 -1.27 0.95 0.95 -1.57 0.00 0.00 175.55 174.87 1k4r s THR 305 N -3.15 3.51 0.42 -0.71 -4.23 -1.26 -4.66 115.64 105.57 1k4r s THR 305 Ca 0.58 0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.93 1k4r s THR 305 Cb -0.13 -3.42 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 1k4r s THR 305 CO 0.54 -0.46 1.24 -0.04 -0.54 0.00 0.00 174.62 175.36 1k4r s MET 306 N -5.09 3.90 0.59 3.99 -1.94 -1.26 -1.20 119.30 118.28 1k4r s MET 306 Ca 0.55 2.00 -0.18 0.00 -1.71 0.00 0.00 55.69 56.34 1k4r s MET 306 Cb -0.11 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1k4r s MET 306 CO 0.46 -0.50 1.16 0.00 -0.01 0.00 0.00 175.02 176.13 1k4r n ASP 308 N -1.66 3.65 0.02 0.00 -0.08 -1.26 -4.82 116.55 112.40 1k4r n ASP 308 Ca 0.12 0.67 0.01 0.00 -1.51 0.00 0.00 54.79 54.09 1k4r n ASP 308 Cb 0.51 -1.49 0.07 0.00 2.34 0.00 0.00 41.12 42.54 1k4r n ASP 308 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1k4r n LYS 309 N 7.79 0.01 0.01 -0.67 5.02 -1.26 -2.21 118.16 126.86 1k4r n LYS 309 Ca 0.25 0.50 0.11 0.00 -2.02 0.00 0.00 58.31 57.15 1k4r n LYS 309 Cb 0.39 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1k4r n LYS 309 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1k4r n THR 310 N -1.57 0.08 -1.04 -0.18 -1.04 -1.26 -0.98 114.28 108.29 1k4r n THR 310 Ca 0.00 -0.13 0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1k4r n THR 310 Cb 0.01 0.40 0.30 0.00 -1.82 0.00 0.00 70.33 69.22 1k4r n THR 310 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1k4r n LYS 311 N -1.75 3.43 -3.91 -2.82 4.76 -0.94 -4.99 118.16 111.94 1k4r n LYS 311 Ca 0.03 -3.01 -0.34 0.00 -2.87 0.00 0.00 58.31 52.11 1k4r n LYS 311 Cb 0.39 -2.03 -0.05 0.00 -1.84 0.00 0.00 35.03 31.50 1k4r n LYS 311 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1k4r s PHE 312 N -2.91 3.55 0.07 2.13 0.08 -1.26 -1.65 117.98 117.98 1k4r s PHE 312 Ca 0.48 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.93 1k4r s PHE 312 Cb 0.39 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1k4r s PHE 312 CO 0.11 0.67 -0.05 0.95 -0.10 0.00 0.00 175.22 176.80 1k4r s THR 313 N -1.24 0.41 -0.21 0.64 -4.23 -0.58 -4.77 115.64 105.66 1k4r s THR 313 Ca 0.24 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.75 1k4r s THR 313 Cb -0.12 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 1k4r s THR 313 CO 0.14 -0.90 0.71 0.26 -0.54 0.00 0.00 174.62 174.30 1k4r s TRP 314 N -3.55 3.35 -0.09 3.99 0.52 -1.26 -0.91 118.94 120.99 1k4r s TRP 314 Ca 0.07 1.01 -0.09 0.00 0.02 0.00 0.00 56.10 57.11 1k4r s TRP 314 Cb 0.05 -2.91 -0.28 0.00 -1.15 0.00 0.00 33.47 29.18 1k4r s TRP 314 CO -0.07 -0.27 0.50 -0.22 0.02 0.00 0.00 176.95 176.91 1k4r h LYS 315 N 7.59 0.33 -3.38 4.98 1.63 -0.74 -3.44 116.57 123.54 1k4r h LYS 315 Ca -0.28 -0.56 -0.48 0.00 -0.85 0.00 0.00 60.65 58.48 1k4r h LYS 315 Cb 1.13 0.21 -0.40 0.00 -0.60 0.00 0.00 32.23 32.56 1k4r h LYS 315 CO 0.81 1.27 -0.76 1.03 -3.45 0.00 0.00 179.45 178.35 1k4r s ARG 316 N -2.57 0.41 0.75 1.90 0.52 -0.47 -4.96 118.95 114.53 1k4r s ARG 316 Ca -0.20 -0.22 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 1k4r s ARG 316 Cb 0.06 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.75 1k4r s ARG 316 CO 0.81 -0.61 1.21 0.00 0.02 0.00 0.00 175.30 176.74 1k4r s ALA 317 N 1.98 2.03 0.14 2.13 0.00 -1.26 -1.40 121.76 125.38 1k4r s ALA 317 Ca 0.01 0.89 -0.34 0.00 0.00 0.00 0.00 51.96 52.52 1k4r s ALA 317 Cb -0.16 -3.49 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 1k4r s ALA 317 CO -0.08 -2.03 1.26 -2.30 0.00 0.00 0.00 175.76 172.62 1k4r n PRO 318 N -2.89 1.26 -3.92 0.00 -0.02 -1.26 -4.70 135.00 123.47 1k4r n PRO 318 Ca 0.14 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1k4r n PRO 318 Cb 0.50 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 1k4r n PRO 318 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1k4r s THR 319 N 0.12 0.10 0.04 3.45 -1.32 -0.05 -4.97 115.64 113.02 1k4r s THR 319 Ca 0.77 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 1k4r s THR 319 Cb -0.87 -0.50 -0.07 0.00 -1.51 0.00 0.00 72.50 69.55 1k4r s THR 319 CO 0.49 -0.47 1.55 -0.62 -2.21 0.00 0.00 174.62 173.36 1k4r s ASP 320 N -1.59 6.70 0.38 8.08 -1.08 -1.26 -1.19 116.67 126.70 1k4r s ASP 320 Ca -0.13 2.33 0.23 0.00 -0.52 0.00 0.00 52.55 54.47 1k4r s ASP 320 Cb -0.07 -2.56 0.30 0.00 -1.46 0.00 0.00 42.92 39.14 1k4r s ASP 320 CO -0.01 -0.82 1.51 0.77 0.52 0.00 0.00 175.17 177.14 1k4r h SER 321 N 8.14 0.00 0.00 -0.34 4.64 -1.73 -3.47 113.55 120.79 1k4r h SER 321 Ca -0.41 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1k4r h SER 321 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1k4r h SER 321 CO 0.92 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1k4r n GLY 322 N 1.13 0.69 0.27 -0.77 0.00 -1.26 -4.88 105.19 100.37 1k4r n GLY 322 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1k4r n GLY 322 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k4r n HIS 323 N -2.00 0.00 -2.32 1.61 8.25 -1.26 -4.96 115.22 114.54 1k4r n HIS 323 Ca 0.00 -1.08 -0.16 0.00 -0.26 0.00 0.00 57.72 56.22 1k4r n HIS 323 Cb 0.00 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1k4r n HIS 323 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1k4r n ASP 324 N -1.24 -4.69 -4.43 0.41 8.00 -1.26 -5.01 116.55 108.32 1k4r n ASP 324 Ca 0.16 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.42 1k4r n ASP 324 Cb 0.67 -3.81 -0.11 0.00 -0.02 0.00 0.00 41.12 37.85 1k4r n ASP 324 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1k4r s THR 325 N -2.79 1.22 -0.08 -3.53 -4.23 -1.26 -4.69 115.64 100.29 1k4r s THR 325 Ca 0.01 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1k4r s THR 325 Cb -0.00 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1k4r s THR 325 CO 0.01 -0.07 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.10 1k4r s VAL 326 N -3.28 2.21 0.14 2.29 1.01 0.14 -1.86 120.40 121.04 1k4r s VAL 326 Ca 0.35 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1k4r s VAL 326 Cb 0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1k4r s VAL 326 CO 0.14 0.56 -0.17 0.68 0.00 0.00 0.00 175.10 176.32 1k4r s VAL 327 N 0.01 2.86 0.16 2.92 -7.23 -0.34 -1.06 120.40 117.73 1k4r s VAL 327 Ca -0.08 -1.60 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 1k4r s VAL 327 Cb -0.15 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1k4r s VAL 327 CO 0.05 0.03 0.86 0.00 -0.31 0.00 0.00 175.10 175.74 1k4r s MET 328 N -2.35 1.27 -0.10 4.82 0.23 -0.76 -0.87 119.30 121.54 1k4r s MET 328 Ca 0.20 -0.66 -0.05 0.00 -1.03 0.00 0.00 55.69 54.15 1k4r s MET 328 Cb -0.10 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.71 1k4r s MET 328 CO 0.11 -0.58 0.24 -2.00 -2.03 0.00 0.00 175.02 170.76 1k4r s GLU 329 N -3.44 0.19 0.27 3.16 2.12 -0.50 -1.58 118.70 118.92 1k4r s GLU 329 Ca 0.10 0.52 0.09 0.00 0.36 0.00 0.00 54.97 56.04 1k4r s GLU 329 Cb -0.02 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 1k4r s GLU 329 CO 0.00 -0.17 0.05 0.14 -0.54 0.00 0.00 175.26 174.75 1k4r s VAL 330 N 1.31 3.58 -0.00 3.70 -7.23 -0.21 -0.02 120.40 121.52 1k4r s VAL 330 Ca -0.09 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1k4r s VAL 330 Cb -0.11 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1k4r s VAL 330 CO -0.08 -0.34 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.25 1k4r s THR 331 N -2.30 2.37 -0.08 5.32 2.01 -0.09 -4.65 115.64 118.22 1k4r s THR 331 Ca 0.33 -1.10 0.04 0.00 0.31 0.00 0.00 61.69 61.26 1k4r s THR 331 Cb -0.06 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1k4r s THR 331 CO 0.21 0.50 -0.20 0.12 -0.69 0.00 0.00 174.62 174.57 1k4r s PHE 332 N -0.72 2.13 -1.53 4.92 5.36 -1.26 -1.52 117.98 125.35 1k4r s PHE 332 Ca 0.11 -0.83 0.16 0.00 -0.96 0.00 0.00 56.93 55.42 1k4r s PHE 332 Cb -0.10 -1.46 0.41 0.00 -0.34 0.00 0.00 43.02 41.53 1k4r s PHE 332 CO 0.01 -0.35 1.33 -1.13 -1.46 0.00 0.00 175.22 173.62 1k4r n SER 333 N 3.58 3.24 -1.08 6.13 3.41 -0.66 -4.99 113.62 123.25 1k4r n SER 333 Ca -0.20 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1k4r n SER 333 Cb 0.53 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1k4r n SER 333 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k4r n GLY 334 N 1.03 1.06 3.73 5.00 0.00 -1.26 -5.06 105.19 109.69 1k4r n GLY 334 Ca 0.16 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1k4r n GLY 334 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k4r s THR 335 N 1.25 4.89 0.22 2.61 -4.23 -1.26 -5.07 115.64 114.05 1k4r s THR 335 Ca 0.00 1.59 0.06 0.00 -1.18 0.00 0.00 61.69 62.16 1k4r s THR 335 Cb 0.00 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1k4r s THR 335 CO 0.00 0.29 0.22 -0.54 -0.54 0.00 0.00 174.62 174.06 1k4r s LYS 336 N 0.44 3.07 0.48 3.99 1.02 -1.26 -4.55 119.74 122.92 1k4r s LYS 336 Ca 0.39 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.45 1k4r s LYS 336 Cb -0.19 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 1k4r s LYS 336 CO 0.21 0.44 0.74 -1.25 -0.92 0.00 0.00 175.35 174.57 1k4r s PRO 337 N -3.65 3.21 0.13 -1.68 0.04 -1.26 -4.91 135.00 126.88 1k4r s PRO 337 Ca 0.33 -0.18 -0.25 0.00 0.04 0.00 0.00 61.00 60.95 1k4r s PRO 337 Cb -0.09 -2.46 0.07 0.00 0.04 0.00 0.00 34.50 32.07 1k4r s PRO 337 CO 0.26 -0.30 0.74 0.00 0.04 0.00 0.00 177.00 177.74 1k4r s ARG 339 N -3.54 4.41 -0.11 0.00 0.52 -0.34 -0.99 118.95 118.90 1k4r s ARG 339 Ca 0.05 0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 1k4r s ARG 339 Cb -0.02 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 1k4r s ARG 339 CO -0.08 0.28 1.04 0.42 0.02 0.00 0.00 175.30 176.98 1k4r s ILE 340 N 0.05 4.70 -1.12 1.52 1.01 0.11 -0.41 121.20 127.06 1k4r s ILE 340 Ca 0.35 1.98 -0.19 0.00 0.00 0.00 0.00 60.65 62.79 1k4r s ILE 340 Cb -0.19 -4.27 0.10 0.00 0.01 0.00 0.00 42.46 38.11 1k4r s ILE 340 CO 0.19 -0.01 1.46 -2.16 0.00 0.00 0.00 174.94 174.42 1k4r s PRO 341 N 2.13 3.81 -0.06 2.79 0.04 -1.26 -4.79 135.00 137.67 1k4r s PRO 341 Ca 0.49 -1.83 -0.03 0.00 0.04 0.00 0.00 61.00 59.68 1k4r s PRO 341 Cb -0.19 -5.25 -0.04 0.00 0.04 0.00 0.00 34.50 29.06 1k4r s PRO 341 CO 0.18 -2.03 0.09 0.08 0.04 0.00 0.00 177.00 175.35 1k4r s VAL 342 N 3.52 4.90 0.14 -0.36 1.01 -1.26 -0.64 120.40 127.71 1k4r s VAL 342 Ca 0.45 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1k4r s VAL 342 Cb -0.01 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1k4r s VAL 342 CO -0.03 0.48 1.02 0.00 0.00 0.00 0.00 175.10 176.57 1k4r s ARG 343 N -1.36 1.11 -0.06 2.72 1.70 -0.44 -5.02 118.95 117.60 1k4r s ARG 343 Ca 0.19 -0.63 -0.18 0.00 -0.47 0.00 0.00 55.73 54.63 1k4r s ARG 343 Cb -0.12 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1k4r s ARG 343 CO 0.09 -0.51 0.42 0.00 -1.08 0.00 0.00 175.30 174.22 1k4r s ALA 344 N -3.00 -1.07 0.11 7.88 0.00 -1.26 -0.65 121.76 123.76 1k4r s ALA 344 Ca 0.14 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.95 1k4r s ALA 344 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1k4r s ALA 344 CO 0.02 -0.27 -0.14 0.14 0.00 0.00 0.00 175.76 175.51 1k4r s VAL 345 N -0.86 1.24 0.26 0.00 -7.23 -0.67 -0.09 120.40 113.06 1k4r s VAL 345 Ca -0.09 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 1k4r s VAL 345 Cb -0.04 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1k4r s VAL 345 CO 0.04 -0.39 0.94 0.00 -0.31 0.00 0.00 175.10 175.39 1k4r s ALA 346 N -1.98 3.30 -0.12 1.32 0.00 -1.26 -0.99 121.76 122.04 1k4r s ALA 346 Ca 0.06 0.59 -0.36 0.00 0.00 0.00 0.00 51.96 52.25 1k4r s ALA 346 Cb -0.06 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.72 1k4r s ALA 346 CO 0.02 0.20 1.76 1.58 0.00 0.00 0.00 175.76 179.33 1k4r n HIS 347 N 1.24 2.17 0.00 0.00 -0.00 -0.30 -1.26 115.22 117.06 1k4r n HIS 347 Ca -0.01 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.43 1k4r n HIS 347 Cb 0.48 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.79 1k4r n HIS 347 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1k4r n GLY 348 N 4.10 2.98 2.63 1.57 0.00 -1.26 -4.98 105.19 110.23 1k4r n GLY 348 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1k4r n GLY 348 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k4r n SER 349 N 0.00 1.96 0.02 1.61 7.64 -0.39 -4.96 113.62 119.51 1k4r n SER 349 Ca 0.00 -2.98 0.05 0.00 1.01 0.00 0.00 58.87 56.95 1k4r n SER 349 Cb 0.00 -0.68 0.24 0.00 -1.01 0.00 0.00 64.21 62.76 1k4r n SER 349 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1k4r n PRO 350 N 1.97 0.03 0.01 1.43 -0.04 -1.26 -3.36 135.00 133.78 1k4r n PRO 350 Ca 0.24 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 64.02 1k4r n PRO 350 Cb 0.41 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1k4r n PRO 350 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1k4r h ASP 351 N 0.00 0.00 -3.64 3.54 3.32 -1.93 -3.46 116.42 114.25 1k4r h ASP 351 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1k4r h ASP 351 Cb 0.16 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.57 1k4r h ASP 351 CO 0.00 0.92 -0.10 -0.69 -1.72 0.00 0.00 179.24 177.65 1k4r s VAL 352 N -2.68 5.10 -0.11 -1.35 1.01 -1.21 -5.05 120.40 116.10 1k4r s VAL 352 Ca -0.03 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1k4r s VAL 352 Cb 0.08 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1k4r s VAL 352 CO 0.82 0.07 1.18 0.21 0.00 0.00 0.00 175.10 177.38 1k4r s ASN 353 N 1.61 7.04 0.00 3.32 3.84 -1.26 -4.38 114.94 125.11 1k4r s ASN 353 Ca 0.19 1.70 0.11 0.00 0.21 0.00 0.00 52.86 55.07 1k4r s ASN 353 Cb -0.16 -2.55 0.21 0.00 -0.55 0.00 0.00 41.25 38.20 1k4r s ASN 353 CO 0.10 -0.63 1.08 1.33 -2.79 0.00 0.00 177.10 176.18 1k4r n VAL 354 N 4.92 0.52 -2.70 -5.21 0.24 0.88 -4.96 118.33 112.01 1k4r n VAL 354 Ca 0.12 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.23 1k4r n VAL 354 Cb 0.46 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 1k4r n VAL 354 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k4r s ALA 355 N -0.98 3.22 -0.38 2.33 0.00 -1.25 -4.49 121.76 120.20 1k4r s ALA 355 Ca 0.19 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1k4r s ALA 355 Cb 0.11 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.95 1k4r s ALA 355 CO 0.15 -0.32 0.17 -1.64 0.00 0.00 0.00 175.76 174.12 1k4r s MET 356 N 1.24 2.27 0.15 0.00 -1.94 -0.81 -4.95 119.30 115.26 1k4r s MET 356 Ca 0.51 -1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 52.61 1k4r s MET 356 Cb -0.20 -3.53 -0.07 0.00 2.01 0.00 0.00 34.83 33.03 1k4r s MET 356 CO 0.26 -0.92 1.08 -0.51 -0.01 0.00 0.00 175.02 174.92 1k4r s LEU 357 N 1.24 4.48 -0.19 -0.03 1.43 -1.26 -0.81 118.68 123.54 1k4r s LEU 357 Ca 0.03 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 1k4r s LEU 357 Cb -0.22 -3.60 -0.20 0.00 0.03 0.00 0.00 46.19 42.20 1k4r s LEU 357 CO -0.02 -0.21 0.14 -0.38 0.23 0.00 0.00 176.35 176.11 1k4r n ILE 358 N 2.60 1.62 -2.16 -0.59 2.08 -0.20 -4.82 119.36 117.89 1k4r n ILE 358 Ca 0.03 -0.34 -0.42 0.00 0.56 0.00 0.00 62.75 62.58 1k4r n ILE 358 Cb 0.47 -1.86 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 1k4r n ILE 358 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1k4r s THR 359 N -2.47 3.76 0.31 1.39 2.01 -1.09 -4.69 115.64 114.86 1k4r s THR 359 Ca -0.29 1.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.43 1k4r s THR 359 Cb 0.08 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 1k4r s THR 359 CO 0.64 -0.06 1.07 -2.16 -0.69 0.00 0.00 174.62 173.42 1k4r s PRO 360 N 3.42 4.52 -0.29 4.92 0.04 -1.26 -4.36 135.00 141.99 1k4r s PRO 360 Ca 0.66 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1k4r s PRO 360 Cb -0.30 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1k4r s PRO 360 CO 0.25 0.13 0.20 -1.71 0.04 0.00 0.00 177.00 175.92 1k4r n ASN 361 N 0.86 -1.58 -4.65 6.66 5.15 -1.26 -4.71 115.26 115.72 1k4r n ASN 361 Ca 0.00 -0.34 -0.48 0.00 -0.60 0.00 0.00 54.58 53.16 1k4r n ASN 361 Cb 0.46 -0.53 -0.05 0.00 -0.53 0.00 0.00 39.78 39.13 1k4r n ASN 361 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1k4r n PRO 362 N -1.31 1.88 -4.08 1.20 -0.02 -1.26 -4.90 135.00 126.51 1k4r n PRO 362 Ca -0.10 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1k4r n PRO 362 Cb 0.23 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 1k4r n PRO 362 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k4r s THR 363 N 1.14 0.33 -0.35 3.45 -4.23 -1.26 -0.71 115.64 114.00 1k4r s THR 363 Ca 0.82 -1.55 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1k4r s THR 363 Cb -0.76 -1.17 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1k4r s THR 363 CO 0.42 -0.79 0.14 -0.63 -0.54 0.00 0.00 174.62 173.22 1k4r s ILE 364 N -3.02 4.05 0.84 2.99 -1.09 -0.16 -3.59 121.20 121.23 1k4r s ILE 364 Ca 0.01 -1.04 -0.07 0.00 -2.23 0.00 0.00 60.65 57.31 1k4r s ILE 364 Cb 0.01 -3.29 0.18 0.00 -1.58 0.00 0.00 42.46 37.79 1k4r s ILE 364 CO -0.06 -0.20 1.15 -0.62 -1.23 0.00 0.00 174.94 173.98 1k4r n GLU 365 N 4.87 -0.64 0.25 2.79 -0.58 -0.00 -1.78 120.64 125.54 1k4r n GLU 365 Ca -0.12 -2.45 0.11 0.00 -0.42 0.00 0.00 57.16 54.28 1k4r n GLU 365 Cb 0.45 -0.98 0.64 0.00 -0.57 0.00 0.00 31.44 30.98 1k4r n GLU 365 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1k4r h ASN 366 N -1.11 0.00 -0.19 1.62 -0.26 -1.98 -3.30 115.58 110.37 1k4r h ASN 366 Ca -0.38 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.16 1k4r h ASN 366 Cb 1.22 0.00 -0.36 0.00 -1.06 0.00 0.00 38.32 38.12 1k4r h ASN 366 CO 0.34 0.16 -0.97 -0.46 -1.06 0.00 0.00 177.43 175.44 1k4r n ASN 367 N -3.61 0.93 -2.01 5.81 6.94 -1.26 -5.08 115.26 116.97 1k4r n ASN 367 Ca -0.01 -2.03 0.01 0.00 -0.02 0.00 0.00 54.58 52.53 1k4r n ASN 367 Cb 0.29 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1k4r n ASN 367 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k4r n GLY 368 N -0.18 0.44 0.00 4.83 0.00 -1.24 -5.16 105.19 103.88 1k4r n GLY 368 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1k4r n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4r n GLY 369 N -0.33 -0.60 0.00 -0.02 0.00 -1.23 -0.82 105.19 102.19 1k4r n GLY 369 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1k4r n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4r n GLY 370 N -0.51 0.79 3.73 -0.02 0.00 -1.00 -4.82 105.19 103.36 1k4r n GLY 370 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1k4r n GLY 370 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k4r s PHE 371 N -1.17 3.66 -0.01 1.61 5.36 -0.22 -1.05 117.98 126.16 1k4r s PHE 371 Ca 0.00 1.38 0.01 0.00 -0.96 0.00 0.00 56.93 57.36 1k4r s PHE 371 Cb 0.00 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1k4r s PHE 371 CO 0.00 0.17 -0.04 0.42 -1.46 0.00 0.00 175.22 174.32 1k4r s ILE 372 N 0.41 0.34 -0.07 3.12 1.01 -0.62 -4.48 121.20 120.90 1k4r s ILE 372 Ca 0.39 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1k4r s ILE 372 Cb -0.19 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 41.95 1k4r s ILE 372 CO 0.21 0.12 -0.20 -0.70 0.00 0.00 0.00 174.94 174.38 1k4r s GLU 373 N 0.25 2.37 0.17 2.79 2.12 -1.26 -1.82 118.70 123.32 1k4r s GLU 373 Ca -0.02 -0.70 -0.07 0.00 0.36 0.00 0.00 54.97 54.53 1k4r s GLU 373 Cb -0.06 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 1k4r s GLU 373 CO -0.00 0.18 0.25 0.00 -0.54 0.00 0.00 175.26 175.14 1k4r s MET 374 N 0.31 1.17 -0.01 4.30 0.23 -0.22 -1.04 119.30 124.04 1k4r s MET 374 Ca -0.13 -1.29 0.06 0.00 -1.03 0.00 0.00 55.69 53.30 1k4r s MET 374 Cb -0.16 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1k4r s MET 374 CO 0.06 -0.42 -0.20 -1.14 -2.03 0.00 0.00 175.02 171.28 1k4r s GLN 375 N -4.01 2.22 0.11 3.16 0.74 0.01 0.25 119.66 122.13 1k4r s GLN 375 Ca 0.22 -0.87 0.05 0.00 0.05 0.00 0.00 55.36 54.81 1k4r s GLN 375 Cb 0.04 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 1k4r s GLN 375 CO 0.03 0.58 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.71 1k4r s LEU 376 N -0.87 2.38 0.62 3.68 1.43 -1.26 -1.93 118.68 122.73 1k4r s LEU 376 Ca 0.12 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.29 1k4r s LEU 376 Cb -0.10 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 1k4r s LEU 376 CO 0.01 -0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.33 1k4r s PRO 377 N -2.53 3.21 0.56 1.29 0.04 -1.26 -4.99 135.00 131.32 1k4r s PRO 377 Ca 0.06 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 1k4r s PRO 377 Cb -0.05 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1k4r s PRO 377 CO 0.02 -0.90 1.20 -2.30 0.04 0.00 0.00 177.00 175.07 1k4r n PRO 378 N -2.28 1.36 0.00 0.56 -0.02 -1.26 -4.60 135.00 128.75 1k4r n PRO 378 Ca 0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1k4r n PRO 378 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1k4r n PRO 378 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k4r n GLY 379 N 0.97 -0.53 3.71 -1.23 0.00 -0.63 -4.89 105.19 102.60 1k4r n GLY 379 Ca 0.12 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1k4r n GLY 379 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k4r s ASP 380 N -4.00 7.01 0.21 1.61 1.01 -1.26 0.03 116.67 121.28 1k4r s ASP 380 Ca 0.00 1.21 0.00 0.00 0.71 0.00 0.00 52.55 54.48 1k4r s ASP 380 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1k4r s ASP 380 CO 0.00 -0.15 0.09 0.20 0.21 0.00 0.00 175.17 175.52 1k4r s ASN 381 N 0.85 0.74 -0.07 0.27 0.01 0.35 -1.15 114.94 115.95 1k4r s ASN 381 Ca 0.38 -1.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.20 1k4r s ASN 381 Cb -0.18 0.25 0.02 0.00 0.41 0.00 0.00 41.25 41.75 1k4r s ASN 381 CO 0.18 -0.75 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.32 1k4r s ILE 382 N -3.91 0.78 -0.12 0.60 1.09 -0.16 -0.69 121.20 118.78 1k4r s ILE 382 Ca 0.35 -0.23 -0.12 0.00 -1.10 0.00 0.00 60.65 59.55 1k4r s ILE 382 Cb 0.07 -0.78 -0.05 0.00 -1.06 0.00 0.00 42.46 40.64 1k4r s ILE 382 CO 0.11 0.29 0.26 -0.63 -0.10 0.00 0.00 174.94 174.87 1k4r s ILE 383 N 1.09 5.31 -0.07 2.92 1.01 0.78 -1.67 121.20 130.57 1k4r s ILE 383 Ca -0.08 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.10 1k4r s ILE 383 Cb -0.14 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 1k4r s ILE 383 CO -0.01 0.50 -0.20 -0.31 0.00 0.00 0.00 174.94 174.92 1k4r s TYR 384 N -0.29 2.12 -0.53 3.97 2.02 0.17 -0.56 117.35 124.26 1k4r s TYR 384 Ca 0.17 -0.75 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1k4r s TYR 384 Cb -0.13 -1.43 0.15 0.00 -0.40 0.00 0.00 41.96 40.14 1k4r s TYR 384 CO 0.05 -0.29 0.33 0.08 -1.57 0.00 0.00 175.55 174.15 1k4r s VAL 385 N 0.23 2.04 0.00 0.71 1.01 0.26 -1.33 120.40 123.32 1k4r s VAL 385 Ca -0.11 -3.26 0.00 0.00 0.00 0.00 0.00 61.98 58.60 1k4r s VAL 385 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1k4r s VAL 385 CO 0.05 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.83 1k4r n GLY 386 N 2.91 2.19 0.00 4.51 0.00 0.18 -1.71 105.19 113.28 1k4r n GLY 386 Ca 0.13 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1k4r n GLY 386 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k4r n GLU 387 N 12.76 0.02 -2.30 1.61 1.02 -0.16 -4.84 120.64 128.76 1k4r n GLU 387 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1k4r n GLU 387 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 1k4r n GLU 387 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k4r s LEU 388 N -3.08 4.39 0.23 -4.62 2.96 -0.69 -5.02 118.68 112.85 1k4r s LEU 388 Ca 0.10 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.28 1k4r s LEU 388 Cb 0.17 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1k4r s LEU 388 CO 0.72 -0.52 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.23 1k4r s SER 389 N 0.80 2.20 -0.26 3.68 1.04 -1.26 -0.57 113.70 119.33 1k4r s SER 389 Ca 0.59 -1.16 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1k4r s SER 389 Cb -0.34 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 65.79 1k4r s SER 389 CO 0.32 -0.39 0.64 -2.28 0.98 0.00 0.00 173.24 172.51 1k4r s HIS 390 N -3.23 -0.97 0.47 5.02 2.46 0.28 -4.95 115.29 114.38 1k4r s HIS 390 Ca 0.26 1.97 -0.22 0.00 0.47 0.00 0.00 55.06 57.54 1k4r s HIS 390 Cb 0.04 0.55 -0.07 0.00 -0.13 0.00 0.00 32.58 32.97 1k4r s HIS 390 CO 0.08 -0.49 1.15 -0.65 -2.47 0.00 0.00 174.74 172.37 1k4r s GLN 391 N 1.52 3.70 -0.19 2.88 -1.52 -1.26 -0.15 119.66 124.63 1k4r s GLN 391 Ca -0.09 1.73 -0.05 0.00 -1.95 0.00 0.00 55.36 55.00 1k4r s GLN 391 Cb -0.06 -2.34 0.10 0.00 -0.22 0.00 0.00 33.01 30.49 1k4r s GLN 391 CO -0.17 -0.59 0.35 -0.46 -0.25 0.00 0.00 175.29 174.17 1k4r s TRP 392 N -1.59 -0.66 -0.29 0.91 -0.11 0.13 -4.84 118.94 112.48 1k4r s TRP 392 Ca 0.65 1.08 -0.17 0.00 1.22 0.00 0.00 56.10 58.89 1k4r s TRP 392 Cb -0.27 0.08 -0.02 0.00 -1.50 0.00 0.00 33.47 31.75 1k4r s TRP 392 CO 0.33 -0.52 0.45 0.12 -4.62 0.00 0.00 176.95 172.70 1k4r s PHE 393 N 2.52 3.23 -0.18 5.86 5.36 -1.26 -0.50 117.98 133.01 1k4r s PHE 393 Ca 0.04 0.40 -0.18 0.00 -0.96 0.00 0.00 56.93 56.23 1k4r s PHE 393 Cb -0.13 -2.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 1k4r s PHE 393 CO -0.12 -0.33 0.50 -1.14 -1.46 0.00 0.00 175.22 172.67 1k4r s GLN 394 N 2.21 4.22 0.00 10.12 2.00 0.10 -4.93 119.66 133.39 1k4r s GLN 394 Ca 0.18 0.41 0.00 0.00 -2.00 0.00 0.00 55.36 53.94 1k4r s GLN 394 Cb -0.16 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.12 1k4r s GLN 394 CO 0.11 -0.07 0.00 1.63 -0.50 0.00 0.00 175.29 176.46