#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2u s VAL 2 N 0.00 4.39 -0.06 6.31 1.01 -1.26 -2.82 120.40 127.97 3k2u s VAL 2 Ca 0.00 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.71 3k2u s VAL 2 Cb 0.00 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3k2u s VAL 2 CO 0.00 0.26 0.43 -1.10 0.00 0.00 0.00 175.10 174.69 3k2u s GLN 3 N 0.20 0.73 -0.07 2.72 -0.21 0.14 -4.93 119.66 118.23 3k2u s GLN 3 Ca 0.49 0.09 -0.01 0.00 0.02 0.00 0.00 55.36 55.96 3k2u s GLN 3 Cb -0.25 0.34 0.03 0.00 1.00 0.00 0.00 33.01 34.12 3k2u s GLN 3 CO 0.31 -0.19 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.75 3k2u s LEU 4 N -0.96 0.87 -0.20 2.90 2.01 -1.26 -0.59 118.68 121.45 3k2u s LEU 4 Ca -0.10 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 53.91 3k2u s LEU 4 Cb -0.04 -0.53 0.04 0.00 0.01 0.00 0.00 46.19 45.67 3k2u s LEU 4 CO 0.05 -0.15 -0.11 -0.69 1.01 0.00 0.00 176.35 176.46 3k2u s VAL 5 N 1.69 1.69 0.43 -1.59 1.01 -0.19 -4.32 120.40 119.11 3k2u s VAL 5 Ca 0.01 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3k2u s VAL 5 Cb -0.13 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3k2u s VAL 5 CO -0.05 0.18 0.77 -1.61 0.00 0.00 0.00 175.10 174.40 3k2u s GLU 6 N 1.38 3.68 0.23 2.72 8.01 -1.25 -1.84 118.70 131.62 3k2u s GLU 6 Ca -0.01 0.36 -0.22 0.00 0.01 0.00 0.00 54.97 55.10 3k2u s GLU 6 Cb -0.16 -2.39 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 3k2u s GLU 6 CO -0.08 -0.10 0.83 -1.54 0.01 0.00 0.00 175.26 174.38 3k2u s SER 7 N -3.51 -0.21 0.00 -0.19 1.04 -0.72 -4.84 113.70 105.26 3k2u s SER 7 Ca 0.50 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3k2u s SER 7 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3k2u s SER 7 CO 0.37 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3k2u n GLY 8 N -0.47 3.19 3.74 7.32 0.00 -1.26 -1.54 105.19 116.16 3k2u n GLY 8 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3k2u n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k2u s GLY 9 N -2.61 2.84 0.00 -0.02 0.00 -1.26 -4.75 107.32 101.51 3k2u s GLY 9 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 3k2u s GLY 9 CO 0.00 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.32 3k2u n GLY 10 N 0.79 -0.57 3.73 0.20 0.00 -0.07 -4.81 105.19 104.45 3k2u n GLY 10 Ca 0.15 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3k2u n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2u s LEU 11 N 0.00 4.35 -0.12 0.99 2.96 -1.26 0.41 118.68 126.01 3k2u s LEU 11 Ca 0.00 1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.95 3k2u s LEU 11 Cb 0.00 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.72 3k2u s LEU 11 CO 0.00 -0.04 0.33 0.68 -1.32 0.00 0.00 176.35 176.00 3k2u s VAL 12 N 0.47 0.00 0.57 1.68 -7.23 -0.24 -4.96 120.40 110.68 3k2u s VAL 12 Ca 0.35 -0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.37 3k2u s VAL 12 Cb -0.18 -0.46 -0.06 0.00 0.56 0.00 0.00 36.38 36.24 3k2u s VAL 12 CO 0.17 -0.00 1.01 -1.10 -0.31 0.00 0.00 175.10 174.87 3k2u s GLN 13 N 0.16 3.71 0.15 4.82 -0.21 -1.25 -2.13 119.66 124.91 3k2u s GLN 13 Ca -0.00 0.92 -0.33 0.00 0.02 0.00 0.00 55.36 55.97 3k2u s GLN 13 Cb -0.02 -2.10 -0.13 0.00 1.00 0.00 0.00 33.01 31.76 3k2u s GLN 13 CO 0.00 -0.47 1.63 -2.30 -2.12 0.00 0.00 175.29 172.04 3k2u n PRO 14 N -2.07 2.29 0.00 2.91 -0.02 -1.26 -1.09 135.00 135.75 3k2u n PRO 14 Ca 0.07 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3k2u n PRO 14 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3k2u n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2u n GLY 15 N 3.61 3.42 1.93 -1.23 0.00 -0.54 -4.95 105.19 107.44 3k2u n GLY 15 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 3k2u n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2u n GLY 16 N -1.90 -2.60 3.18 -0.02 0.00 -0.25 -3.32 105.19 100.28 3k2u n GLY 16 Ca 0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 3k2u n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2u s SER 17 N -3.14 1.59 -0.04 1.61 0.01 -1.26 -1.47 113.70 111.00 3k2u s SER 17 Ca 0.39 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 56.70 3k2u s SER 17 Cb -0.04 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.21 3k2u s SER 17 CO 0.30 -0.17 0.49 -0.22 0.41 0.00 0.00 173.24 174.05 3k2u s LEU 18 N -2.15 0.11 -0.10 2.44 2.96 -0.38 -5.01 118.68 116.55 3k2u s LEU 18 Ca 0.02 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3k2u s LEU 18 Cb -0.06 1.89 0.02 0.00 0.50 0.00 0.00 46.19 48.54 3k2u s LEU 18 CO 0.01 -0.52 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.83 3k2u s ARG 19 N -1.21 1.64 0.02 1.98 3.52 -1.26 0.17 118.95 123.81 3k2u s ARG 19 Ca -0.12 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.12 3k2u s ARG 19 Cb -0.03 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 3k2u s ARG 19 CO 0.07 -0.16 0.21 -0.51 -0.81 0.00 0.00 175.30 174.10 3k2u s LEU 20 N 1.31 4.36 0.05 -0.88 1.43 -0.74 -4.61 118.68 119.61 3k2u s LEU 20 Ca -0.02 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3k2u s LEU 20 Cb -0.14 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3k2u s LEU 20 CO -0.04 0.23 -0.18 -0.44 0.23 0.00 0.00 176.35 176.14 3k2u s SER 21 N -2.06 3.78 -0.31 2.29 0.01 -0.59 -2.03 113.70 114.80 3k2u s SER 21 Ca 0.30 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 3k2u s SER 21 Cb -0.13 -0.59 0.10 0.00 0.21 0.00 0.00 66.02 65.61 3k2u s SER 21 CO 0.21 0.25 0.09 0.00 0.41 0.00 0.00 173.24 174.20 3k2u s ALA 23 N 1.55 3.51 0.10 0.00 0.00 -0.77 -0.29 121.76 125.86 3k2u s ALA 23 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3k2u s ALA 23 Cb -0.17 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3k2u s ALA 23 CO -0.24 -0.40 0.11 0.00 0.00 0.00 0.00 175.76 175.23 3k2u s ALA 24 N 1.54 3.61 -0.02 0.00 0.00 -0.04 -1.02 121.76 125.84 3k2u s ALA 24 Ca 0.29 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 3k2u s ALA 24 Cb -0.16 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3k2u s ALA 24 CO 0.11 0.68 0.14 -1.12 0.00 0.00 0.00 175.76 175.58 3k2u s SER 25 N -2.61 -0.03 0.00 0.00 0.01 0.24 -4.87 113.70 106.44 3k2u s SER 25 Ca 0.30 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3k2u s SER 25 Cb -0.12 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3k2u s SER 25 CO 0.23 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3k2u n GLY 26 N 2.00 3.38 3.53 3.44 0.00 -1.13 0.25 105.19 116.66 3k2u n GLY 26 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3k2u n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k2u s PHE 27 N -2.84 0.70 -0.21 1.61 -0.71 -1.26 -4.70 117.98 110.57 3k2u s PHE 27 Ca 0.00 -1.02 -0.04 0.00 -1.04 0.00 0.00 56.93 54.83 3k2u s PHE 27 Cb 0.00 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 3k2u s PHE 27 CO 0.00 -1.07 -0.03 0.95 -1.34 0.00 0.00 175.22 173.73 3k2u s THR 28 N -3.51 3.56 0.37 -4.49 -4.23 -1.26 -4.99 115.64 101.09 3k2u s THR 28 Ca 0.27 -0.44 0.28 0.00 -1.18 0.00 0.00 61.69 60.62 3k2u s THR 28 Cb -0.00 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.51 3k2u s THR 28 CO 0.14 0.42 2.04 0.16 -0.54 0.00 0.00 174.62 176.85 3k2u h ILE 29 N 5.61 0.52 -0.83 2.99 3.07 -1.93 -3.27 117.51 123.68 3k2u h ILE 29 Ca -0.39 -0.60 0.21 0.00 1.55 0.00 0.00 64.86 65.62 3k2u h ILE 29 Cb 1.17 1.40 -0.14 0.00 -0.27 0.00 0.00 36.82 38.98 3k2u h ILE 29 CO 0.60 0.12 0.15 -1.13 -1.05 0.00 0.00 178.15 176.84 3k2u h ASN 30 N 0.00 -0.13 -0.40 2.16 -0.73 -1.94 -1.61 115.58 112.93 3k2u h ASN 30 Ca -0.00 0.19 -0.07 0.00 1.87 0.00 0.00 56.30 58.29 3k2u h ASN 30 Cb 0.39 0.29 -0.04 0.00 0.27 0.00 0.00 38.32 39.23 3k2u h ASN 30 CO 0.02 -0.15 0.09 0.61 -0.37 0.00 0.00 177.43 177.62 3k2u n GLY 31 N -1.39 2.64 3.34 1.57 0.00 -1.23 -0.70 105.19 109.42 3k2u n GLY 31 Ca 0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 3k2u n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k2u s THR 32 N -2.04 0.00 -0.00 2.61 -1.32 -0.61 -5.02 115.64 109.25 3k2u s THR 32 Ca 0.33 -1.80 -0.20 0.00 -1.21 0.00 0.00 61.69 58.81 3k2u s THR 32 Cb 0.26 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.77 3k2u s THR 32 CO 0.09 0.00 0.59 -0.31 -2.21 0.00 0.00 174.62 172.78 3k2u s TYR 33 N -3.98 3.68 -0.20 9.09 2.02 -0.67 -4.06 117.35 123.24 3k2u s TYR 33 Ca 0.34 1.19 0.01 0.00 -0.37 0.00 0.00 57.07 58.24 3k2u s TYR 33 Cb 0.04 -2.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 3k2u s TYR 33 CO 0.13 0.36 -0.17 0.42 -1.57 0.00 0.00 175.55 174.72 3k2u s ILE 34 N -0.22 2.03 0.35 2.71 -1.09 0.15 -1.78 121.20 123.35 3k2u s ILE 34 Ca 0.31 -1.09 0.08 0.00 -2.23 0.00 0.00 60.65 57.72 3k2u s ILE 34 Cb -0.18 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 3k2u s ILE 34 CO 0.17 0.37 0.13 -1.00 -1.23 0.00 0.00 174.94 173.38 3k2u s HIS 35 N 1.26 2.66 -0.09 3.97 3.76 0.92 -0.29 115.29 127.48 3k2u s HIS 35 Ca 0.01 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 3k2u s HIS 35 Cb -0.15 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3k2u s HIS 35 CO -0.11 0.33 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.33 3k2u s TRP 36 N -2.48 2.26 -0.07 1.40 0.52 0.81 -1.18 118.94 120.20 3k2u s TRP 36 Ca 0.38 -0.93 -0.00 0.00 0.02 0.00 0.00 56.10 55.57 3k2u s TRP 36 Cb -0.01 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3k2u s TRP 36 CO 0.22 -0.39 -0.05 0.08 0.02 0.00 0.00 176.95 176.83 3k2u s VAL 37 N 0.47 0.67 0.16 4.03 1.01 -0.18 -0.06 120.40 126.50 3k2u s VAL 37 Ca -0.17 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3k2u s VAL 37 Cb -0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3k2u s VAL 37 CO 0.07 0.29 0.12 0.00 0.00 0.00 0.00 175.10 175.58 3k2u s ARG 38 N 1.45 2.87 -0.23 2.72 1.70 -0.36 -0.86 118.95 126.24 3k2u s ARG 38 Ca -0.02 -0.86 -0.04 0.00 -0.47 0.00 0.00 55.73 54.34 3k2u s ARG 38 Cb -0.13 -2.64 0.08 0.00 -0.57 0.00 0.00 34.95 31.68 3k2u s ARG 38 CO -0.03 0.49 0.10 -1.14 -1.08 0.00 0.00 175.30 173.64 3k2u s GLN 39 N -3.02 0.18 0.48 3.89 0.74 0.74 -1.38 119.66 121.30 3k2u s GLN 39 Ca 0.31 -0.33 -0.21 0.00 0.05 0.00 0.00 55.36 55.17 3k2u s GLN 39 Cb -0.10 -1.59 -0.08 0.00 1.10 0.00 0.00 33.01 32.34 3k2u s GLN 39 CO 0.23 -0.82 1.09 0.00 -0.55 0.00 0.00 175.29 175.24 3k2u s ALA 40 N 2.08 2.90 -0.46 1.58 0.00 -1.26 -0.48 121.76 126.12 3k2u s ALA 40 Ca 0.05 0.76 -0.45 0.00 0.00 0.00 0.00 51.96 52.31 3k2u s ALA 40 Cb -0.16 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.45 3k2u s ALA 40 CO -0.21 -0.48 1.69 -2.30 0.00 0.00 0.00 175.76 174.45 3k2u n PRO 41 N -0.75 0.19 -0.93 0.00 -0.02 -1.26 -0.17 135.00 132.06 3k2u n PRO 41 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3k2u n PRO 41 Cb 0.50 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3k2u n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2u n GLY 42 N 4.42 0.18 2.31 -1.23 0.00 -1.26 -4.97 105.19 104.64 3k2u n GLY 42 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 3k2u n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k2u n LYS 43 N -0.57 0.87 -0.33 1.61 4.76 0.76 -5.14 118.16 120.13 3k2u n LYS 43 Ca 0.00 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 3k2u n LYS 43 Cb 0.28 0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 3k2u n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k2u n GLY 44 N 0.89 -0.05 3.81 0.72 0.00 -1.26 -4.70 105.19 104.61 3k2u n GLY 44 Ca 0.05 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 3k2u n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2u s LEU 45 N 0.00 4.41 -0.08 0.99 1.43 -1.26 -4.21 118.68 119.96 3k2u s LEU 45 Ca 0.00 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3k2u s LEU 45 Cb 0.00 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.76 3k2u s LEU 45 CO 0.00 0.27 0.02 -0.70 0.23 0.00 0.00 176.35 176.17 3k2u s GLU 46 N -0.65 0.44 0.23 1.70 2.12 -0.48 -4.98 118.70 117.08 3k2u s GLU 46 Ca 0.22 0.12 -0.32 0.00 0.36 0.00 0.00 54.97 55.35 3k2u s GLU 46 Cb -0.15 -1.00 -0.12 0.00 0.26 0.00 0.00 34.13 33.11 3k2u s GLU 46 CO 0.10 -0.35 1.69 1.87 -0.54 0.00 0.00 175.26 178.03 3k2u n TRP 47 N 5.18 2.78 -0.11 5.30 -0.00 -1.26 -1.23 117.44 128.10 3k2u n TRP 47 Ca -0.06 0.10 -0.16 0.00 -0.00 0.00 0.00 57.50 57.38 3k2u n TRP 47 Cb 0.50 -2.65 -0.06 0.00 -0.00 0.00 0.00 31.31 29.10 3k2u n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3k2u n VAL 48 N 3.43 1.51 -0.27 5.87 0.31 0.92 -4.66 118.33 125.45 3k2u n VAL 48 Ca 0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3k2u n VAL 48 Cb 0.35 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 3k2u n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2u n GLY 49 N 1.40 -1.52 1.32 2.92 0.00 -1.17 -0.02 105.19 108.11 3k2u n GLY 49 Ca -0.28 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.64 3k2u n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2u n GLY 50 N -0.23 1.32 3.27 -0.02 0.00 0.19 -0.14 105.19 109.60 3k2u n GLY 50 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3k2u n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k2u s ILE 51 N -2.53 -0.00 -0.48 -0.61 2.07 0.60 -1.44 121.20 118.81 3k2u s ILE 51 Ca 0.07 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 3k2u s ILE 51 Cb -0.01 -0.54 0.13 0.00 0.13 0.00 0.00 42.46 42.16 3k2u s ILE 51 CO 0.03 0.00 0.28 -0.47 -1.91 0.00 0.00 174.94 172.88 3k2u s TYR 52 N 0.33 3.53 0.29 3.50 5.04 -0.50 -0.68 117.35 128.85 3k2u s TYR 52 Ca -0.01 -2.49 0.03 0.00 -2.44 0.00 0.00 57.07 52.16 3k2u s TYR 52 Cb -0.03 -3.23 0.64 0.00 0.35 0.00 0.00 41.96 39.69 3k2u s TYR 52 CO -0.01 -0.93 1.80 -1.35 -1.34 0.00 0.00 175.55 173.72 3k2u h PRO 52 N 7.75 0.84 -0.10 4.97 0.11 -1.70 -2.01 132.00 141.85 3k2u h PRO 52 Ca -0.10 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.00 3k2u h PRO 52 Cb 1.02 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.89 3k2u h PRO 52 CO 0.71 0.56 -0.20 0.00 -0.21 0.00 0.00 178.00 178.86 3k2u h ALA 53 N 1.59 -0.17 -0.00 -0.75 0.00 -1.22 -2.26 119.26 116.45 3k2u h ALA 53 Ca 0.53 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3k2u h ALA 53 Cb 0.69 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k2u h ALA 53 CO -0.33 -0.66 -0.16 0.41 0.00 0.00 0.00 179.25 178.51 3k2u n GLY 54 N -1.34 -1.01 2.38 0.00 0.00 -1.16 -4.91 105.19 99.16 3k2u n GLY 54 Ca -0.03 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3k2u n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2u n GLY 55 N 1.34 -0.10 3.79 -0.02 0.00 -0.82 -4.99 105.19 104.39 3k2u n GLY 55 Ca 0.12 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3k2u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2u s ALA 56 N -2.78 3.64 0.23 4.61 0.00 -0.82 -4.99 121.76 121.65 3k2u s ALA 56 Ca 0.09 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.83 3k2u s ALA 56 Cb -0.04 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3k2u s ALA 56 CO 0.12 0.29 -0.21 0.95 0.00 0.00 0.00 175.76 176.90 3k2u s THR 57 N -0.27 2.33 -0.09 0.00 -4.23 -1.26 -1.41 115.64 110.71 3k2u s THR 57 Ca 0.21 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 3k2u s THR 57 Cb -0.15 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.55 3k2u s THR 57 CO 0.09 -0.29 0.21 -0.31 -0.54 0.00 0.00 174.62 173.78 3k2u s TYR 58 N -2.17 -0.26 0.03 3.99 2.02 -0.52 -4.97 117.35 115.47 3k2u s TYR 58 Ca 0.25 0.64 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 3k2u s TYR 58 Cb -0.06 0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.52 3k2u s TYR 58 CO 0.12 -0.17 -0.08 0.71 -1.57 0.00 0.00 175.55 174.56 3k2u s TYR 59 N 0.77 0.66 0.41 2.71 2.02 -1.26 -0.63 117.35 122.02 3k2u s TYR 59 Ca -0.05 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.05 3k2u s TYR 59 Cb -0.07 -0.40 -0.11 0.00 -0.40 0.00 0.00 41.96 40.99 3k2u s TYR 59 CO -0.04 -0.05 0.93 0.00 -1.57 0.00 0.00 175.55 174.81 3k2u s ALA 60 N -1.02 3.08 0.19 3.71 0.00 0.97 -4.91 121.76 123.78 3k2u s ALA 60 Ca -0.06 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 3k2u s ALA 60 Cb -0.08 -3.12 0.19 0.00 0.00 0.00 0.00 23.12 20.11 3k2u s ALA 60 CO 0.00 0.15 1.72 -0.44 0.00 0.00 0.00 175.76 177.20 3k2u h ASP 61 N 2.09 0.05 0.00 0.00 3.32 -1.93 -1.96 116.42 117.99 3k2u h ASP 61 Ca -0.49 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3k2u h ASP 61 Cb 1.18 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3k2u h ASP 61 CO 0.62 0.05 0.06 -1.54 -1.72 0.00 0.00 179.24 176.71 3k2u n SER 62 N -5.09 0.00 0.00 6.45 3.41 -1.26 -2.17 113.62 114.96 3k2u n SER 62 Ca 0.06 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3k2u n SER 62 Cb 0.24 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3k2u n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3k2u n VAL 63 N -1.27 0.00 -1.65 -3.33 0.24 -0.78 -5.01 118.33 106.53 3k2u n VAL 63 Ca 0.00 -0.26 -0.48 0.00 -2.04 0.00 0.00 64.34 61.56 3k2u n VAL 63 Cb 0.06 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 3k2u n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k2u n LYS 64 N -0.35 1.88 0.00 7.34 5.02 -0.92 -1.18 118.16 129.95 3k2u n LYS 64 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3k2u n LYS 64 Cb 0.04 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 3k2u n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k2u n GLY 65 N 3.30 1.83 0.01 0.72 0.00 -1.26 -4.82 105.19 104.97 3k2u n GLY 65 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3k2u n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2u n ARG 66 N -2.00 3.02 -4.14 1.61 1.74 -0.32 -5.04 116.66 111.52 3k2u n ARG 66 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3k2u n ARG 66 Cb 0.00 -1.03 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 3k2u n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k2u s PHE 67 N -2.03 3.16 -0.01 -1.55 0.40 -0.90 -2.21 117.98 114.84 3k2u s PHE 67 Ca -0.01 0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3k2u s PHE 67 Cb 0.00 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.88 3k2u s PHE 67 CO 0.04 0.51 -0.05 0.99 0.70 0.00 0.00 175.22 177.41 3k2u s THR 68 N -1.23 0.40 -0.02 0.64 2.01 -0.43 -4.86 115.64 112.15 3k2u s THR 68 Ca 0.24 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.12 3k2u s THR 68 Cb -0.12 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 3k2u s THR 68 CO 0.16 0.13 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.37 3k2u s ILE 69 N 0.10 1.70 0.15 1.82 1.01 -1.26 0.04 121.20 124.75 3k2u s ILE 69 Ca -0.01 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3k2u s ILE 69 Cb -0.05 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3k2u s ILE 69 CO -0.00 0.48 0.20 -1.54 0.00 0.00 0.00 174.94 174.08 3k2u n SER 70 N 2.64 -0.56 -3.55 3.58 3.41 -1.02 -4.97 113.62 113.14 3k2u n SER 70 Ca -0.16 -1.79 -0.17 0.00 -0.26 0.00 0.00 58.87 56.49 3k2u n SER 70 Cb 0.53 1.05 -0.06 0.00 -0.26 0.00 0.00 64.21 65.46 3k2u n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k2u s ALA 71 N -2.09 -1.65 -0.28 7.33 0.00 -1.26 -0.58 121.76 123.23 3k2u s ALA 71 Ca 0.12 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3k2u s ALA 71 Cb -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3k2u s ALA 71 CO 0.09 -0.35 -0.02 0.34 0.00 0.00 0.00 175.76 175.81 3k2u s ASP 72 N -1.15 4.66 0.00 0.00 -1.08 0.33 -4.97 116.67 114.46 3k2u s ASP 72 Ca -0.11 -1.08 0.27 0.00 -0.52 0.00 0.00 52.55 51.11 3k2u s ASP 72 Cb -0.01 -1.70 1.34 0.00 -1.46 0.00 0.00 42.92 41.10 3k2u s ASP 72 CO 0.09 -0.20 1.92 0.35 0.52 0.00 0.00 175.17 177.85 3k2u n THR 73 N 4.65 0.13 0.57 1.71 -2.24 -1.26 -1.04 114.28 116.80 3k2u n THR 73 Ca -0.15 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 3k2u n THR 73 Cb 0.45 -0.58 0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3k2u n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3k2u n SER 74 N -1.31 0.65 -0.20 3.42 3.41 -1.26 -3.73 113.62 114.60 3k2u n SER 74 Ca 0.12 -0.05 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 3k2u n SER 74 Cb 0.23 0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 3k2u n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k2u n LYS 75 N -2.03 0.14 -3.93 4.33 5.02 -1.03 -4.99 118.16 115.67 3k2u n LYS 75 Ca 0.03 -0.76 -0.28 0.00 -2.02 0.00 0.00 58.31 55.28 3k2u n LYS 75 Cb 0.44 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3k2u n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k2u n ASN 76 N 0.20 -2.42 -4.10 4.39 5.15 -0.20 -4.69 115.26 113.59 3k2u n ASN 76 Ca 0.03 -0.89 -0.19 0.00 -0.60 0.00 0.00 54.58 52.92 3k2u n ASN 76 Cb 0.13 -3.49 -0.14 0.00 -0.53 0.00 0.00 39.78 35.75 3k2u n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3k2u s THR 77 N -3.57 0.96 0.40 -0.44 2.01 -0.76 -0.86 115.64 113.38 3k2u s THR 77 Ca 0.34 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.63 3k2u s THR 77 Cb -0.18 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3k2u s THR 77 CO 0.86 0.07 0.23 0.00 -0.69 0.00 0.00 174.62 175.09 3k2u s ALA 78 N -0.65 3.70 0.02 7.40 0.00 0.60 -0.52 121.76 132.31 3k2u s ALA 78 Ca 0.02 -1.98 -0.10 0.00 0.00 0.00 0.00 51.96 49.90 3k2u s ALA 78 Cb -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3k2u s ALA 78 CO 0.01 -0.13 0.21 0.71 0.00 0.00 0.00 175.76 176.55 3k2u s TYR 79 N -2.52 -0.01 -0.31 0.00 2.02 0.25 -1.16 117.35 115.62 3k2u s TYR 79 Ca 0.42 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3k2u s TYR 79 Cb 0.00 -0.00 0.10 0.00 -0.40 0.00 0.00 41.96 41.66 3k2u s TYR 79 CO 0.24 -0.38 0.11 -1.17 -1.57 0.00 0.00 175.55 172.78 3k2u s LEU 80 N -1.70 2.02 -0.22 -1.29 2.96 -0.86 -2.44 118.68 117.14 3k2u s LEU 80 Ca -0.10 -1.64 -0.25 0.00 -0.22 0.00 0.00 54.13 51.93 3k2u s LEU 80 Cb -0.04 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 3k2u s LEU 80 CO -0.00 -0.41 0.83 -1.58 -1.32 0.00 0.00 176.35 173.87 3k2u s GLN 81 N 1.63 4.21 -0.12 1.98 2.00 0.11 -1.79 119.66 127.68 3k2u s GLN 81 Ca 0.10 0.97 -0.00 0.00 -2.00 0.00 0.00 55.36 54.43 3k2u s GLN 81 Cb -0.17 -3.63 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 3k2u s GLN 81 CO -0.26 -0.47 -0.10 -1.64 -0.50 0.00 0.00 175.29 172.32 3k2u s MET 82 N 2.67 3.24 0.19 1.67 -1.94 0.13 -1.31 119.30 123.94 3k2u s MET 82 Ca 0.36 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.79 3k2u s MET 82 Cb -0.16 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 33.98 3k2u s MET 82 CO 0.09 0.35 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.49 3k2u s ASN 82 N 0.03 2.51 -1.43 3.03 0.01 -0.94 -1.25 114.94 116.90 3k2u s ASN 82 Ca -0.03 -0.98 -0.02 0.00 -0.71 0.00 0.00 52.86 51.12 3k2u s ASN 82 Cb -0.14 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.41 3k2u s ASN 82 CO 0.04 -0.16 0.49 -1.20 -1.51 0.00 0.00 177.10 174.77 3k2u n SER 82 N -0.21 -0.83 -4.62 -1.22 7.64 -0.77 -4.77 113.62 108.84 3k2u n SER 82 Ca -0.09 -0.98 -0.43 0.00 1.01 0.00 0.00 58.87 58.37 3k2u n SER 82 Cb 0.60 -3.13 -0.03 0.00 -1.01 0.00 0.00 64.21 60.64 3k2u n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k2u s LEU 82 N -6.99 3.75 0.61 -3.43 1.43 -0.54 -4.61 118.68 108.91 3k2u s LEU 82 Ca 0.10 1.77 -0.02 0.00 -1.03 0.00 0.00 54.13 54.95 3k2u s LEU 82 Cb -0.05 -3.52 0.05 0.00 0.03 0.00 0.00 46.19 42.69 3k2u s LEU 82 CO 0.88 -1.53 0.87 -0.13 0.23 0.00 0.00 176.35 176.67 3k2u s ARG 83 N 5.34 2.38 0.34 1.70 0.52 -1.26 -1.46 118.95 126.51 3k2u s ARG 83 Ca 0.84 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 3k2u s ARG 83 Cb -0.29 -2.37 0.61 0.00 0.52 0.00 0.00 34.95 33.42 3k2u s ARG 83 CO 0.34 -0.93 1.94 0.00 0.02 0.00 0.00 175.30 176.67 3k2u h ALA 84 N -0.19 1.46 0.00 2.13 0.00 -1.94 -1.97 119.26 118.75 3k2u h ALA 84 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3k2u h ALA 84 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3k2u h ALA 84 CO 0.54 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.61 3k2u n GLU 85 N -4.37 0.10 0.00 0.00 4.71 -1.26 -1.12 120.64 118.70 3k2u n GLU 85 Ca 0.04 0.50 0.14 0.00 -0.01 0.00 0.00 57.16 57.83 3k2u n GLU 85 Cb 0.13 -1.77 0.60 0.00 -1.01 0.00 0.00 31.44 29.40 3k2u n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3k2u n ASP 86 N -1.97 0.25 -4.71 1.62 8.00 -0.74 -4.85 116.55 114.15 3k2u n ASP 86 Ca 0.00 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 3k2u n ASP 86 Cb 0.09 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 3k2u n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k2u s THR 87 N -2.70 2.22 0.00 -3.53 2.01 -0.27 -4.89 115.64 108.47 3k2u s THR 87 Ca 0.22 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3k2u s THR 87 Cb 0.19 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.67 3k2u s THR 87 CO 0.52 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.45 3k2u n ALA 88 N 4.49 0.00 -2.72 7.40 0.00 -1.06 -4.38 120.51 124.23 3k2u n ALA 88 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 3k2u n ALA 88 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 3k2u n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k2u s VAL 89 N -2.00 5.31 -0.24 0.00 1.01 0.37 -1.93 120.40 122.92 3k2u s VAL 89 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 3k2u s VAL 89 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3k2u s VAL 89 CO 0.00 0.41 0.06 -0.31 0.00 0.00 0.00 175.10 175.26 3k2u s TYR 90 N 0.35 3.08 -0.01 5.22 1.51 -0.22 -0.18 117.35 127.10 3k2u s TYR 90 Ca 0.16 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 3k2u s TYR 90 Cb -0.13 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3k2u s TYR 90 CO 0.04 -0.36 0.00 0.71 -1.11 0.00 0.00 175.55 174.83 3k2u s TYR 91 N 1.57 3.09 -0.07 2.71 2.02 -0.04 -1.23 117.35 125.40 3k2u s TYR 91 Ca 0.06 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 3k2u s TYR 91 Cb -0.15 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3k2u s TYR 91 CO 0.03 0.46 -0.10 0.00 -1.57 0.00 0.00 175.55 174.38 3k2u s ALA 93 N -0.64 0.14 0.28 0.00 0.00 -0.32 -2.04 121.76 119.17 3k2u s ALA 93 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.45 3k2u s ALA 93 Cb -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3k2u s ALA 93 CO 0.01 -0.19 0.42 -1.59 0.00 0.00 0.00 175.76 174.42 3k2u s LYS 94 N -1.78 3.45 -0.20 0.00 -2.85 -0.98 -0.06 119.74 117.31 3k2u s LYS 94 Ca -0.13 -0.63 -0.14 0.00 -1.00 0.00 0.00 55.97 54.07 3k2u s LYS 94 Cb -0.08 -2.81 0.06 0.00 -2.06 0.00 0.00 37.83 32.94 3k2u s LYS 94 CO -0.02 0.33 0.52 -0.46 0.10 0.00 0.00 175.35 175.82 3k2u s TRP 95 N -2.09 -0.69 0.01 1.78 -0.11 -0.73 -2.84 118.94 114.26 3k2u s TRP 95 Ca 0.36 1.51 0.00 0.00 1.22 0.00 0.00 56.10 59.19 3k2u s TRP 95 Cb -0.09 0.31 0.00 0.00 -1.50 0.00 0.00 33.47 32.19 3k2u s TRP 95 CO 0.31 -0.35 0.00 1.87 -4.62 0.00 0.00 176.95 174.16 3k2u n TRP 96 N 3.64 -1.47 0.24 5.86 -0.00 -1.26 -1.67 117.44 122.78 3k2u n TRP 96 Ca -0.18 0.02 0.08 0.00 -0.00 0.00 0.00 57.50 57.41 3k2u n TRP 96 Cb 0.56 0.33 0.58 0.00 -0.00 0.00 0.00 31.31 32.79 3k2u n TRP 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3k2u h ALA 97 N 0.00 1.62 -2.29 5.87 0.00 -1.97 -3.44 119.26 119.05 3k2u h ALA 97 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 3k2u h ALA 97 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 3k2u h ALA 97 CO 0.00 0.18 -0.71 -1.58 0.00 0.00 0.00 179.25 177.15 3k2u s TRP 98 N -4.58 1.03 -1.45 0.00 0.51 -1.26 -5.03 118.94 108.16 3k2u s TRP 98 Ca -0.04 -0.83 -0.09 0.00 -2.12 0.00 0.00 56.10 53.02 3k2u s TRP 98 Cb 0.15 -0.56 -0.06 0.00 -0.81 0.00 0.00 33.47 32.19 3k2u s TRP 98 CO 0.66 -0.05 2.90 -0.35 -0.51 0.00 0.00 176.95 179.60 3k2u n PRO 99 N -0.02 3.75 -3.66 4.98 -0.04 -1.26 -4.76 135.00 133.99 3k2u n PRO 99 Ca -0.12 -2.37 -0.06 0.00 -0.04 0.00 0.00 63.50 60.91 3k2u n PRO 99 Cb 0.60 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 3k2u n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k2u s ALA 100 N 1.41 -1.64 -0.94 0.55 0.00 -1.26 -5.07 121.76 114.82 3k2u s ALA 100 Ca 0.67 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 3k2u s ALA 100 Cb 0.19 0.63 0.10 0.00 0.00 0.00 0.00 23.12 24.04 3k2u s ALA 100 CO -0.07 -0.92 1.23 -0.06 0.00 0.00 0.00 175.76 175.94 3k2u s PHE 100 N -3.37 2.89 -1.11 0.00 0.08 -1.26 -4.50 117.98 110.71 3k2u s PHE 100 Ca 0.09 -1.15 0.14 0.00 0.12 0.00 0.00 56.93 56.13 3k2u s PHE 100 Cb -0.02 -4.42 0.64 0.00 -0.57 0.00 0.00 43.02 38.65 3k2u s PHE 100 CO -0.02 -1.65 1.44 -0.40 -0.10 0.00 0.00 175.22 174.49 3k2u n ASP 101 N 7.41 0.00 -3.64 1.36 5.75 -1.13 -4.74 116.55 121.56 3k2u n ASP 101 Ca 0.25 0.39 -0.08 0.00 -0.01 0.00 0.00 54.79 55.34 3k2u n ASP 101 Cb 0.50 -0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3k2u n ASP 101 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3k2u s TYR 102 N -2.89 -0.84 0.14 2.11 6.14 -1.26 -5.03 117.35 115.72 3k2u s TYR 102 Ca 0.09 1.78 0.09 0.00 0.64 0.00 0.00 57.07 59.67 3k2u s TYR 102 Cb 0.09 0.47 -0.04 0.00 0.42 0.00 0.00 41.96 42.91 3k2u s TYR 102 CO 0.25 -0.41 -0.22 -1.58 0.64 0.00 0.00 175.55 174.23 3k2u s TRP 103 N 1.15 1.98 0.41 4.97 0.52 -1.26 -2.33 118.94 124.39 3k2u s TRP 103 Ca -0.06 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 3k2u s TRP 103 Cb -0.05 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 3k2u s TRP 103 CO -0.13 0.31 0.64 0.20 0.02 0.00 0.00 176.95 177.99 3k2u s GLY 104 N -2.24 1.44 0.00 0.98 0.00 -0.87 -4.85 107.32 101.78 3k2u s GLY 104 Ca 0.12 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.04 3k2u s GLY 104 CO 0.06 -0.73 0.93 -1.06 0.00 0.00 0.00 173.10 172.31 3k2u n GLN 105 N -1.99 0.07 0.00 2.90 1.13 -1.26 -4.62 117.38 113.60 3k2u n GLN 105 Ca -0.02 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 3k2u n GLN 105 Cb 0.56 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.41 3k2u n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k2u n GLY 106 N -0.92 -1.64 2.88 1.08 0.00 -1.26 -4.98 105.19 100.35 3k2u n GLY 106 Ca 0.02 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 3k2u n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k2u s THR 107 N -1.56 -0.03 -0.16 2.61 -1.32 -0.37 -4.73 115.64 110.09 3k2u s THR 107 Ca 0.00 0.11 -0.26 0.00 -1.21 0.00 0.00 61.69 60.33 3k2u s THR 107 Cb 0.00 -0.12 -0.01 0.00 -1.51 0.00 0.00 72.50 70.85 3k2u s THR 107 CO 0.00 0.05 0.88 -0.22 -2.21 0.00 0.00 174.62 173.12 3k2u s LEU 108 N 0.63 4.19 -0.28 9.08 2.96 -1.26 -1.06 118.68 132.94 3k2u s LEU 108 Ca -0.05 1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 55.10 3k2u s LEU 108 Cb -0.07 -3.32 0.04 0.00 0.50 0.00 0.00 46.19 43.34 3k2u s LEU 108 CO -0.02 -0.42 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.89 3k2u s VAL 109 N 2.16 3.05 -0.14 1.68 1.01 -0.81 -0.89 120.40 126.45 3k2u s VAL 109 Ca 0.41 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3k2u s VAL 109 Cb -0.17 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3k2u s VAL 109 CO 0.13 -0.00 0.05 -0.89 0.00 0.00 0.00 175.10 174.39 3k2u s THR 110 N 1.30 4.69 -0.30 3.92 2.01 0.17 -2.58 115.64 124.85 3k2u s THR 110 Ca -0.03 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.92 3k2u s THR 110 Cb -0.19 -3.06 0.08 0.00 0.01 0.00 0.00 72.50 69.35 3k2u s THR 110 CO -0.02 0.53 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 3k2u s VAL 111 N -0.23 2.15 0.23 3.82 1.01 -1.26 -1.08 120.40 125.05 3k2u s VAL 111 Ca 0.07 -1.94 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 3k2u s VAL 111 Cb -0.12 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.88 3k2u s VAL 111 CO 0.02 -0.32 0.89 -0.94 0.00 0.00 0.00 175.10 174.74 3k2u s SER 112 N 1.04 -0.13 0.14 3.32 1.04 -0.91 -4.63 113.70 113.58 3k2u s SER 112 Ca 0.01 -0.64 0.24 0.00 0.48 0.00 0.00 55.95 56.04 3k2u s SER 112 Cb -0.19 0.62 0.24 0.00 0.10 0.00 0.00 66.02 66.78 3k2u s SER 112 CO -0.07 -1.17 1.24 0.28 0.98 0.00 0.00 173.24 174.49 3k2u h SER 113 N 2.00 0.00 -4.01 7.02 0.02 -1.97 -3.33 113.55 113.29 3k2u h SER 113 Ca -0.25 -0.17 -0.56 0.00 -0.84 0.00 0.00 61.79 59.97 3k2u h SER 113 Cb 1.24 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.93 3k2u h SER 113 CO 0.30 0.08 0.50 0.00 -1.14 0.00 0.00 176.83 176.57 3k2u n ALA 114 N -1.92 1.19 -2.59 3.77 0.00 -1.26 -5.01 120.51 114.69 3k2u n ALA 114 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 3k2u n ALA 114 Cb 0.47 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 3k2u n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k2u s SER 115 N -1.19 6.11 0.08 0.00 0.01 -1.26 -5.01 113.70 112.45 3k2u s SER 115 Ca 0.78 0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.94 3k2u s SER 115 Cb -0.40 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 3k2u s SER 115 CO 0.44 -0.39 1.17 -0.89 0.41 0.00 0.00 173.24 173.98 3k2u s THR 116 N -2.28 4.05 -0.03 1.44 2.01 -1.26 -4.70 115.64 114.87 3k2u s THR 116 Ca 0.42 1.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 3k2u s THR 116 Cb -0.10 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.47 3k2u s THR 116 CO 0.34 0.15 0.02 -0.54 -0.69 0.00 0.00 174.62 173.90 3k2u s LYS 117 N 0.75 0.10 0.82 4.92 -0.14 0.68 -4.94 119.74 121.93 3k2u s LYS 117 Ca 0.56 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.23 3k2u s LYS 117 Cb -0.29 -0.39 0.08 0.00 -1.68 0.00 0.00 37.83 35.56 3k2u s LYS 117 CO 0.30 -0.18 1.09 0.20 -0.76 0.00 0.00 175.35 176.00 3k2u s GLY 118 N 1.23 1.64 0.36 -3.33 0.00 -1.26 -1.33 107.32 104.62 3k2u s GLY 118 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 3k2u s GLY 118 CO -0.03 0.40 0.59 2.56 0.00 0.00 0.00 173.10 176.62 3k2u s PRO 119 N -5.01 3.51 -0.29 2.90 0.04 -1.24 -4.38 135.00 130.54 3k2u s PRO 119 Ca 0.61 -0.20 -0.04 0.00 0.04 0.00 0.00 61.00 61.41 3k2u s PRO 119 Cb -0.16 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.79 3k2u s PRO 119 CO 0.56 0.10 0.03 -1.12 0.04 0.00 0.00 177.00 176.60 3k2u s SER 120 N -3.92 4.88 -0.41 6.66 0.01 -0.27 -4.93 113.70 115.72 3k2u s SER 120 Ca 0.42 -0.90 -0.24 0.00 1.31 0.00 0.00 55.95 56.54 3k2u s SER 120 Cb -0.10 -1.79 0.02 0.00 0.21 0.00 0.00 66.02 64.36 3k2u s SER 120 CO 0.37 -0.20 0.81 -0.69 0.41 0.00 0.00 173.24 173.93 3k2u s VAL 121 N 1.40 4.66 -0.03 3.43 1.01 -1.26 -2.09 120.40 127.52 3k2u s VAL 121 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.71 3k2u s VAL 121 Cb -0.18 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3k2u s VAL 121 CO -0.00 -0.59 -0.04 -0.36 0.00 0.00 0.00 175.10 174.10 3k2u s PHE 122 N 3.27 2.98 0.56 5.22 0.08 -0.60 -4.91 117.98 124.58 3k2u s PHE 122 Ca 0.32 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 57.24 3k2u s PHE 122 Cb -0.12 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 3k2u s PHE 122 CO 0.20 0.39 1.04 -1.25 -0.10 0.00 0.00 175.22 175.50 3k2u s PRO 123 N -1.17 3.53 -0.58 0.24 0.04 -1.26 0.14 135.00 135.95 3k2u s PRO 123 Ca 0.15 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.43 3k2u s PRO 123 Cb -0.11 -2.07 0.24 0.00 0.04 0.00 0.00 34.50 32.60 3k2u s PRO 123 CO 0.05 -0.63 0.65 1.28 0.04 0.00 0.00 177.00 178.39 3k2u n LEU 124 N -1.77 2.66 -4.73 -3.56 4.77 0.00 -4.79 117.00 109.59 3k2u n LEU 124 Ca 0.08 -5.20 -0.42 0.00 -0.03 0.00 0.00 56.01 50.44 3k2u n LEU 124 Cb 0.53 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3k2u n LEU 124 CO 0.46 2.03 1.20 0.00 -1.33 0.00 0.00 177.39 179.74 3k2u n ALA 125 N 1.16 2.25 -0.79 -1.18 0.00 -1.26 -2.39 120.51 118.30 3k2u n ALA 125 Ca 0.27 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.79 3k2u n ALA 125 Cb 0.44 -2.42 0.26 0.00 0.00 0.00 0.00 19.45 17.72 3k2u n ALA 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k2u s PRO 126 N -0.43 -1.94 0.00 0.00 0.04 -1.26 -4.98 135.00 126.43 3k2u s PRO 126 Ca 0.65 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.72 3k2u s PRO 126 Cb -0.53 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3k2u s PRO 126 CO 0.48 -4.20 0.00 0.45 0.04 0.00 0.00 177.00 173.77 3k2u n SER 127 N -5.13 0.00 0.00 6.66 2.88 -1.26 -4.86 113.62 111.91 3k2u n SER 127 Ca 0.13 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3k2u n SER 127 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3k2u n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k2u n GLY 134 N 0.00 0.18 3.31 0.46 0.00 -1.26 -5.06 105.19 102.81 3k2u n GLY 134 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3k2u n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k2u s THR 135 N 0.00 0.02 0.48 2.61 -4.23 -1.26 -3.99 115.64 109.28 3k2u s THR 135 Ca 0.00 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3k2u s THR 135 Cb 0.00 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 3k2u s THR 135 CO 0.00 -0.11 0.02 0.00 -0.54 0.00 0.00 174.62 173.99 3k2u s ALA 136 N -4.08 3.81 -0.03 3.99 0.00 -0.86 -4.87 121.76 119.72 3k2u s ALA 136 Ca 0.30 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3k2u s ALA 136 Cb 0.05 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3k2u s ALA 136 CO 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 175.76 175.76 3k2u s ALA 137 N -2.89 0.36 0.39 0.00 0.00 -1.26 -1.81 121.76 116.55 3k2u s ALA 137 Ca 0.13 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3k2u s ALA 137 Cb 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3k2u s ALA 137 CO 0.07 -0.05 0.06 -0.48 0.00 0.00 0.00 175.76 175.35 3k2u s LEU 138 N 0.97 2.28 0.00 0.00 2.34 -0.80 -4.25 118.68 119.22 3k2u s LEU 138 Ca -0.10 -1.48 -0.16 0.00 0.06 0.00 0.00 54.13 52.44 3k2u s LEU 138 Cb -0.14 -0.47 0.05 0.00 -0.56 0.00 0.00 46.19 45.08 3k2u s LEU 138 CO -0.01 -0.69 0.75 0.61 -1.06 0.00 0.00 176.35 175.95 3k2u n GLY 139 N -0.87 0.55 3.13 -3.48 0.00 -1.00 -0.98 105.19 102.53 3k2u n GLY 139 Ca -0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 3k2u n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2u s LEU 141 N -1.56 4.94 -0.93 0.00 2.96 0.12 -1.44 118.68 122.77 3k2u s LEU 141 Ca -0.04 -2.23 -0.22 0.00 -0.22 0.00 0.00 54.13 51.43 3k2u s LEU 141 Cb -0.09 -1.72 0.08 0.00 0.50 0.00 0.00 46.19 44.96 3k2u s LEU 141 CO 0.02 -0.43 1.28 -0.69 -1.32 0.00 0.00 176.35 175.20 3k2u s VAL 142 N 0.83 4.23 0.02 1.68 1.01 -0.57 -1.56 120.40 126.04 3k2u s VAL 142 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3k2u s VAL 142 Cb -0.21 -4.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.22 3k2u s VAL 142 CO -0.06 -1.73 0.09 -0.75 0.00 0.00 0.00 175.10 172.65 3k2u s LYS 143 N 4.14 3.05 -0.21 2.72 2.20 -0.89 -2.06 119.74 128.70 3k2u s LYS 143 Ca 0.38 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.41 3k2u s LYS 143 Cb -0.04 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.46 3k2u s LYS 143 CO -0.06 0.62 0.09 -0.25 -0.36 0.00 0.00 175.35 175.40 3k2u n ASP 144 N 0.92 -5.01 -3.82 1.43 8.00 -0.75 -1.11 116.55 116.21 3k2u n ASP 144 Ca -0.11 1.26 -0.09 0.00 0.71 0.00 0.00 54.79 56.56 3k2u n ASP 144 Cb 0.52 -4.61 -0.05 0.00 -0.02 0.00 0.00 41.12 36.97 3k2u n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3k2u s TYR 145 N -1.08 0.05 -0.29 1.24 1.13 -0.92 -3.58 117.35 113.89 3k2u s TYR 145 Ca -0.11 -0.40 -0.19 0.00 -1.41 0.00 0.00 57.07 54.96 3k2u s TYR 145 Cb 0.01 0.26 0.18 0.00 -1.10 0.00 0.00 41.96 41.31 3k2u s TYR 145 CO 0.64 -0.87 1.20 0.12 -2.51 0.00 0.00 175.55 174.13 3k2u s PHE 146 N -3.91 -0.24 0.00 -3.49 2.19 -0.44 -0.56 117.98 111.53 3k2u s PHE 146 Ca 0.12 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.88 3k2u s PHE 146 Cb 0.00 0.24 0.00 0.00 -1.31 0.00 0.00 43.02 41.95 3k2u s PHE 146 CO -0.01 -0.12 0.00 -0.35 1.83 0.00 0.00 175.22 176.57 3k2u n PRO 147 N 2.86 1.36 -1.69 10.12 -0.04 -1.26 -0.23 135.00 146.13 3k2u n PRO 147 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 3k2u n PRO 147 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 3k2u n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3k2u s GLU 148 N -0.34 2.59 0.30 0.54 0.41 -1.26 -4.86 118.70 116.08 3k2u s GLU 148 Ca 0.00 0.64 0.04 0.00 -0.41 0.00 0.00 54.97 55.24 3k2u s GLU 148 Cb 0.00 -1.98 0.04 0.00 -1.78 0.00 0.00 34.13 30.41 3k2u s GLU 148 CO 0.00 -1.26 0.31 -0.35 -0.49 0.00 0.00 175.26 173.47 3k2u n PRO 149 N -3.19 0.94 -4.14 0.39 -0.04 -1.26 -4.91 135.00 122.78 3k2u n PRO 149 Ca 0.07 -1.72 -0.19 0.00 -0.04 0.00 0.00 63.50 61.62 3k2u n PRO 149 Cb 0.56 0.04 -0.16 0.00 -0.04 0.00 0.00 33.50 33.90 3k2u n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3k2u s VAL 150 N -1.17 0.47 -0.02 0.52 1.01 -1.26 -4.58 120.40 115.38 3k2u s VAL 150 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3k2u s VAL 150 Cb -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3k2u s VAL 150 CO 0.15 0.20 0.10 -0.89 0.00 0.00 0.00 175.10 174.66 3k2u s THR 151 N 0.75 4.92 -0.05 3.92 2.01 -0.34 -4.95 115.64 121.90 3k2u s THR 151 Ca -0.10 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 3k2u s THR 151 Cb -0.13 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.17 3k2u s THR 151 CO -0.00 0.38 0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 3k2u s VAL 152 N -1.20 -0.07 0.22 3.82 1.01 -1.26 -1.50 120.40 121.43 3k2u s VAL 152 Ca 0.23 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3k2u s VAL 152 Cb -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3k2u s VAL 152 CO 0.14 0.09 0.07 -0.94 0.00 0.00 0.00 175.10 174.46 3k2u s SER 153 N 1.25 0.99 -0.13 3.32 1.04 -1.20 -4.99 113.70 113.99 3k2u s SER 153 Ca -0.08 -1.32 0.01 0.00 0.48 0.00 0.00 55.95 55.04 3k2u s SER 153 Cb -0.12 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.21 3k2u s SER 153 CO -0.05 -0.70 -0.14 0.26 0.98 0.00 0.00 173.24 173.59 3k2u s TRP 154 N -3.81 2.02 -1.14 5.02 0.52 -1.26 -1.30 118.94 118.99 3k2u s TRP 154 Ca 0.33 -1.05 -0.12 0.00 0.02 0.00 0.00 56.10 55.29 3k2u s TRP 154 Cb 0.07 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 3k2u s TRP 154 CO 0.10 -0.58 0.82 0.09 0.02 0.00 0.00 176.95 177.41 3k2u n ASN 155 N 4.56 -4.91 -3.94 2.95 4.13 0.16 -2.35 115.26 115.87 3k2u n ASN 155 Ca -0.17 -0.87 -0.31 0.00 1.68 0.00 0.00 54.58 54.90 3k2u n ASN 155 Cb 0.50 -4.16 -0.00 0.00 -1.54 0.00 0.00 39.78 34.58 3k2u n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3k2u n SER 156 N -2.94 -2.27 0.00 6.41 7.64 -1.26 -1.17 113.62 120.03 3k2u n SER 156 Ca -0.13 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3k2u n SER 156 Cb 0.62 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 3k2u n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k2u n GLY 157 N -1.99 1.26 0.00 0.23 0.00 -1.09 -4.78 105.19 98.83 3k2u n GLY 157 Ca -0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3k2u n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2u n ALA 158 N 0.58 1.32 -3.63 4.61 0.00 -0.32 -4.43 120.51 118.64 3k2u n ALA 158 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3k2u n ALA 158 Cb 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 18.26 3k2u n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k2u s LEU 159 N -2.47 1.37 0.00 0.00 2.96 -0.99 -4.99 118.68 114.56 3k2u s LEU 159 Ca 0.01 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3k2u s LEU 159 Cb 0.01 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 46.01 3k2u s LEU 159 CO 0.02 -0.04 0.00 0.35 -1.32 0.00 0.00 176.35 175.36 3k2u n THR 160 N 4.23 0.00 -1.70 3.68 -2.24 -1.26 -4.29 114.28 112.70 3k2u n THR 160 Ca -0.20 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 3k2u n THR 160 Cb 0.51 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3k2u n THR 160 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3k2u n SER 161 N -1.65 3.96 0.00 3.42 7.64 -1.26 -1.85 113.62 123.88 3k2u n SER 161 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3k2u n SER 161 Cb 0.12 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 3k2u n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k2u n GLY 162 N 4.12 3.09 3.67 0.23 0.00 -1.26 -4.51 105.19 110.54 3k2u n GLY 162 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3k2u n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2u s VAL 163 N -1.77 2.84 -0.32 1.61 1.01 -0.77 -3.70 120.40 119.29 3k2u s VAL 163 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3k2u s VAL 163 Cb 0.00 -3.02 0.10 0.00 0.00 0.00 0.00 36.38 33.46 3k2u s VAL 163 CO 0.00 -0.00 0.07 -1.00 0.00 0.00 0.00 175.10 174.17 3k2u s HIS 164 N 3.86 2.70 -0.25 5.22 3.76 0.18 -4.96 115.29 125.81 3k2u s HIS 164 Ca 0.86 -2.34 -0.17 0.00 -0.15 0.00 0.00 55.06 53.25 3k2u s HIS 164 Cb -0.44 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 3k2u s HIS 164 CO 0.40 -0.91 0.48 0.99 -0.85 0.00 0.00 174.74 174.84 3k2u s THR 165 N 1.27 5.10 0.42 1.30 2.01 -1.26 -1.58 115.64 122.90 3k2u s THR 165 Ca 0.10 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 3k2u s THR 165 Cb -0.18 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 3k2u s THR 165 CO -0.17 0.12 0.86 -0.36 -0.69 0.00 0.00 174.62 174.39 3k2u s PHE 166 N 2.13 3.40 0.64 4.92 0.40 -0.36 -5.01 117.98 124.10 3k2u s PHE 166 Ca 0.20 1.34 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 3k2u s PHE 166 Cb -0.16 -2.66 -0.01 0.00 0.51 0.00 0.00 43.02 40.71 3k2u s PHE 166 CO 0.09 -0.13 1.22 -2.14 0.70 0.00 0.00 175.22 174.96 3k2u s PRO 167 N -3.54 2.68 0.33 0.24 0.02 -1.26 -4.47 135.00 129.00 3k2u s PRO 167 Ca 0.57 1.84 -0.27 0.00 0.02 0.00 0.00 61.00 63.15 3k2u s PRO 167 Cb -0.10 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3k2u s PRO 167 CO 0.24 -1.44 1.05 0.00 -0.33 0.00 0.00 177.00 176.52 3k2u s ALA 168 N -1.68 3.25 -0.05 -1.55 0.00 -1.26 -4.74 121.76 115.73 3k2u s ALA 168 Ca 0.77 0.76 0.06 0.00 0.00 0.00 0.00 51.96 53.55 3k2u s ALA 168 Cb -0.31 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3k2u s ALA 168 CO 0.38 -0.12 -0.23 0.08 0.00 0.00 0.00 175.76 175.86 3k2u s VAL 169 N -1.41 1.89 -0.73 0.00 1.01 -0.80 -4.92 120.40 115.43 3k2u s VAL 169 Ca 0.50 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3k2u s VAL 169 Cb -0.26 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.57 3k2u s VAL 169 CO 0.33 0.53 1.14 -0.22 0.00 0.00 0.00 175.10 176.88 3k2u s LEU 170 N -0.19 3.81 0.96 3.92 2.96 -1.26 -1.69 118.68 127.19 3k2u s LEU 170 Ca -0.01 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 3k2u s LEU 170 Cb -0.12 -2.49 0.17 0.00 0.50 0.00 0.00 46.19 44.25 3k2u s LEU 170 CO 0.03 -1.61 1.12 -1.10 -1.32 0.00 0.00 176.35 173.46 3k2u s GLN 171 N 4.81 0.67 0.00 1.98 -0.21 0.43 -4.81 119.66 122.53 3k2u s GLN 171 Ca 0.30 1.37 0.05 0.00 0.02 0.00 0.00 55.36 57.10 3k2u s GLN 171 Cb -0.11 -1.70 0.31 0.00 1.00 0.00 0.00 33.01 32.50 3k2u s GLN 171 CO 0.10 -2.81 0.73 0.45 -2.12 0.00 0.00 175.29 171.64 3k2u n SER 172 N -4.34 0.00 -1.81 5.90 2.88 -1.26 -1.65 113.62 113.33 3k2u n SER 172 Ca 0.10 -0.23 0.07 0.00 -1.33 0.00 0.00 58.87 57.48 3k2u n SER 172 Cb 0.53 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.38 3k2u n SER 172 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3k2u n SER 173 N -0.91 5.60 -1.15 -3.46 3.41 -1.26 -4.91 113.62 110.93 3k2u n SER 173 Ca 0.04 -2.93 -0.14 0.00 -0.26 0.00 0.00 58.87 55.58 3k2u n SER 173 Cb 0.02 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 3k2u n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2u n GLY 174 N 0.55 1.36 3.38 5.00 0.00 -0.66 -4.94 105.19 109.88 3k2u n GLY 174 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 3k2u n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2u s LEU 175 N -3.37 2.33 0.40 0.99 1.02 -1.25 -4.95 118.68 113.84 3k2u s LEU 175 Ca 0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.36 3k2u s LEU 175 Cb 0.00 -1.16 -0.04 0.00 0.02 0.00 0.00 46.19 45.01 3k2u s LEU 175 CO 0.00 0.15 0.68 -0.31 0.02 0.00 0.00 176.35 176.89 3k2u s TYR 176 N -1.13 3.52 -0.27 0.29 2.02 0.27 -0.43 117.35 121.62 3k2u s TYR 176 Ca 0.13 0.69 -0.21 0.00 -0.37 0.00 0.00 57.07 57.31 3k2u s TYR 176 Cb -0.10 -2.17 0.08 0.00 -0.40 0.00 0.00 41.96 39.36 3k2u s TYR 176 CO 0.06 -0.07 0.71 0.45 -1.57 0.00 0.00 175.55 175.14 3k2u s SER 177 N -3.78 -0.83 0.30 2.29 0.15 -0.68 -1.81 113.70 109.34 3k2u s SER 177 Ca 0.45 1.47 -0.07 0.00 0.70 0.00 0.00 55.95 58.50 3k2u s SER 177 Cb -0.10 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 3k2u s SER 177 CO 0.38 -0.24 0.47 -1.48 1.20 0.00 0.00 173.24 173.57 3k2u s LEU 178 N 0.90 0.69 0.16 3.45 0.05 -0.87 -1.91 118.68 121.14 3k2u s LEU 178 Ca -0.04 -1.24 0.01 0.00 0.05 0.00 0.00 54.13 52.90 3k2u s LEU 178 Cb -0.05 1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 45.64 3k2u s LEU 178 CO -0.08 -1.23 0.02 -0.44 -0.55 0.00 0.00 176.35 174.07 3k2u s SER 179 N -3.14 0.94 -0.06 1.48 0.01 -1.26 -1.51 113.70 110.16 3k2u s SER 179 Ca 0.27 -1.18 -0.03 0.00 1.31 0.00 0.00 55.95 56.32 3k2u s SER 179 Cb -0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.44 3k2u s SER 179 CO 0.15 -0.62 0.11 -0.55 0.41 0.00 0.00 173.24 172.74 3k2u s SER 180 N -3.13 0.92 0.40 2.44 0.15 -0.52 -1.23 113.70 112.73 3k2u s SER 180 Ca 0.24 0.20 0.08 0.00 0.70 0.00 0.00 55.95 57.16 3k2u s SER 180 Cb 0.07 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.36 3k2u s SER 180 CO 0.03 -0.24 0.03 0.68 1.20 0.00 0.00 173.24 174.94 3k2u s VAL 181 N 2.19 2.14 -0.26 4.45 -7.23 -0.62 -0.56 120.40 120.53 3k2u s VAL 181 Ca 0.04 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 57.99 3k2u s VAL 181 Cb -0.12 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 33.97 3k2u s VAL 181 CO -0.04 -0.04 0.83 0.54 -0.31 0.00 0.00 175.10 176.08 3k2u s VAL 182 N -2.66 0.00 -0.19 1.32 0.11 -0.16 0.52 120.40 119.34 3k2u s VAL 182 Ca 0.36 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.32 3k2u s VAL 182 Cb 0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3k2u s VAL 182 CO 0.19 0.00 0.10 0.42 -3.33 0.00 0.00 175.10 172.48 3k2u s THR 183 N 0.23 5.11 0.13 5.04 -4.23 -1.24 -1.90 115.64 118.77 3k2u s THR 183 Ca 0.01 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3k2u s THR 183 Cb -0.05 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 3k2u s THR 183 CO -0.01 0.45 -0.01 0.68 -0.54 0.00 0.00 174.62 175.19 3k2u s VAL 184 N 0.38 0.51 0.36 2.29 -7.23 -0.75 -4.66 120.40 111.31 3k2u s VAL 184 Ca 0.06 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.02 3k2u s VAL 184 Cb -0.12 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3k2u s VAL 184 CO -0.01 -0.65 1.28 -2.16 -0.31 0.00 0.00 175.10 173.25 3k2u s PRO 185 N -3.92 4.20 0.20 4.82 0.04 -1.26 -2.04 135.00 137.04 3k2u s PRO 185 Ca 0.19 2.12 0.25 0.00 0.04 0.00 0.00 61.00 63.60 3k2u s PRO 185 Cb 0.06 -2.92 0.89 0.00 0.04 0.00 0.00 34.50 32.58 3k2u s PRO 185 CO -0.01 -0.29 1.76 -1.13 0.04 0.00 0.00 177.00 177.38 3k2u n SER 186 N 0.50 0.67 -0.12 6.66 3.41 -1.26 -2.77 113.62 120.71 3k2u n SER 186 Ca 0.02 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.37 3k2u n SER 186 Cb 0.43 -0.76 0.69 0.00 -0.26 0.00 0.00 64.21 64.31 3k2u n SER 186 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k2u n SER 187 N -2.16 0.42 -0.42 4.04 3.41 -1.26 -3.19 113.62 114.45 3k2u n SER 187 Ca 0.05 -0.71 0.05 0.00 -0.26 0.00 0.00 58.87 57.99 3k2u n SER 187 Cb 0.35 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3k2u n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k2u n SER 188 N -0.88 2.06 -4.78 4.04 3.41 -1.12 -4.96 113.62 111.40 3k2u n SER 188 Ca 0.17 -1.56 -0.36 0.00 -0.26 0.00 0.00 58.87 56.86 3k2u n SER 188 Cb 0.25 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3k2u n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k2u s LEU 189 N -0.84 3.90 0.00 1.04 1.43 -1.19 -1.80 118.68 121.21 3k2u s LEU 189 Ca 0.13 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 3k2u s LEU 189 Cb 0.09 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3k2u s LEU 189 CO 0.12 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.32 3k2u n GLY 190 N 0.26 1.92 0.32 -3.19 0.00 -1.26 -4.58 105.19 98.65 3k2u n GLY 190 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3k2u n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k2u h THR 191 N 0.00 0.16 -3.38 2.61 1.35 -1.93 -3.42 112.91 108.30 3k2u h THR 191 Ca 0.00 -0.44 -0.55 0.00 -0.55 0.00 0.00 66.41 64.87 3k2u h THR 191 Cb 0.00 0.23 -0.04 0.00 -1.73 0.00 0.00 68.15 66.61 3k2u h THR 191 CO 0.00 0.03 0.19 -1.58 -0.25 0.00 0.00 175.52 173.90 3k2u s GLN 192 N -4.36 4.48 0.36 4.72 2.00 -0.75 -5.05 119.66 121.06 3k2u s GLN 192 Ca -0.13 1.06 -0.05 0.00 -2.00 0.00 0.00 55.36 54.25 3k2u s GLN 192 Cb 0.01 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 3k2u s GLN 192 CO 0.41 0.02 0.64 0.95 -0.50 0.00 0.00 175.29 176.81 3k2u s THR 193 N 0.89 4.97 -0.15 -0.34 -4.23 -1.26 -4.71 115.64 110.81 3k2u s THR 193 Ca 0.42 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 3k2u s THR 193 Cb -0.19 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 69.90 3k2u s THR 193 CO 0.21 -0.52 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.44 3k2u s TYR 194 N -2.33 1.31 -0.04 3.99 2.02 -1.26 -4.98 117.35 116.05 3k2u s TYR 194 Ca 0.45 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3k2u s TYR 194 Cb -0.10 -1.13 -0.00 0.00 -0.40 0.00 0.00 41.96 40.32 3k2u s TYR 194 CO 0.35 -0.55 -0.17 0.42 -1.57 0.00 0.00 175.55 174.03 3k2u s ILE 195 N 1.76 1.43 -0.23 2.71 1.09 -1.26 0.33 121.20 127.04 3k2u s ILE 195 Ca 0.01 -0.72 -0.08 0.00 -1.10 0.00 0.00 60.65 58.77 3k2u s ILE 195 Cb -0.15 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 39.99 3k2u s ILE 195 CO -0.07 0.41 0.10 0.00 -0.10 0.00 0.00 174.94 175.28 3k2u s ASN 197 N 1.22 6.49 0.06 0.00 -0.87 -0.42 -2.72 114.94 118.71 3k2u s ASN 197 Ca 0.05 -2.15 -0.24 0.00 -1.57 0.00 0.00 52.86 48.95 3k2u s ASN 197 Cb -0.14 -2.25 -0.06 0.00 -0.02 0.00 0.00 41.25 38.78 3k2u s ASN 197 CO 0.04 -0.80 0.74 -0.69 -2.57 0.00 0.00 177.10 173.82 3k2u s VAL 198 N 1.29 4.68 -0.08 1.60 1.01 -0.02 -3.24 120.40 125.63 3k2u s VAL 198 Ca 0.15 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.72 3k2u s VAL 198 Cb -0.17 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3k2u s VAL 198 CO -0.03 0.41 -0.10 0.21 0.00 0.00 0.00 175.10 175.59 3k2u s ASN 199 N -0.33 1.90 -0.55 3.32 3.04 -0.56 -1.76 114.94 120.01 3k2u s ASN 199 Ca 0.37 -0.30 0.07 0.00 0.04 0.00 0.00 52.86 53.04 3k2u s ASN 199 Cb -0.21 -0.82 0.26 0.00 -1.54 0.00 0.00 41.25 38.94 3k2u s ASN 199 CO 0.23 -0.03 0.69 1.57 -3.04 0.00 0.00 177.10 176.52 3k2u n HIS 200 N 4.24 2.29 -0.29 0.43 -0.00 0.26 -1.20 115.22 120.96 3k2u n HIS 200 Ca -0.19 -3.95 0.21 0.00 -0.00 0.00 0.00 57.72 53.79 3k2u n HIS 200 Cb 0.51 -0.48 0.40 0.00 -0.00 0.00 0.00 29.99 30.42 3k2u n HIS 200 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3k2u n LYS 201 N 0.92 -0.06 -0.21 1.57 4.76 -1.26 -0.39 118.16 123.49 3k2u n LYS 201 Ca 0.27 1.27 0.25 0.00 -2.87 0.00 0.00 58.31 57.23 3k2u n LYS 201 Cb 0.46 -2.16 0.64 0.00 -1.84 0.00 0.00 35.03 32.13 3k2u n LYS 201 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3k2u h PRO 202 N 0.00 0.16 -0.20 1.97 0.11 -1.90 0.84 132.00 132.97 3k2u h PRO 202 Ca 0.65 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.75 3k2u h PRO 202 Cb 1.58 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.66 3k2u h PRO 202 CO -0.75 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.01 3k2u n SER 203 N -4.38 2.45 0.00 -2.05 3.41 0.48 -4.96 113.62 108.57 3k2u n SER 203 Ca 0.19 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3k2u n SER 203 Cb 0.88 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3k2u n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3k2u n ASN 204 N 0.29 -1.45 -4.71 4.04 5.15 0.29 -4.93 115.26 113.94 3k2u n ASN 204 Ca 0.08 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.64 3k2u n ASN 204 Cb 0.34 -2.38 -0.03 0.00 -0.53 0.00 0.00 39.78 37.18 3k2u n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3k2u s THR 205 N -1.36 4.04 -0.38 -0.44 2.01 -1.19 -4.89 115.64 113.43 3k2u s THR 205 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.46 3k2u s THR 205 Cb 0.00 -3.93 0.14 0.00 0.01 0.00 0.00 72.50 68.72 3k2u s THR 205 CO 0.00 0.09 0.22 -0.75 -0.69 0.00 0.00 174.62 173.49 3k2u s LYS 206 N 1.33 0.82 0.14 4.92 2.20 -1.26 -0.57 119.74 127.32 3k2u s LYS 206 Ca 0.59 -1.59 -0.08 0.00 -0.36 0.00 0.00 55.97 54.53 3k2u s LYS 206 Cb -0.29 -1.67 -0.06 0.00 -1.51 0.00 0.00 37.83 34.30 3k2u s LYS 206 CO 0.28 -1.20 0.43 0.08 -0.36 0.00 0.00 175.35 174.58 3k2u s VAL 207 N 0.79 5.08 0.04 4.02 1.01 -0.72 -4.94 120.40 125.68 3k2u s VAL 207 Ca 0.18 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3k2u s VAL 207 Cb -0.23 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3k2u s VAL 207 CO 0.00 0.10 -0.14 -1.81 0.00 0.00 0.00 175.10 173.25 3k2u s ASP 208 N -2.18 1.65 -0.11 3.32 1.01 -1.26 -0.84 116.67 118.25 3k2u s ASP 208 Ca 0.40 -0.46 -0.10 0.00 0.71 0.00 0.00 52.55 53.10 3k2u s ASP 208 Cb -0.13 -0.10 0.03 0.00 1.01 0.00 0.00 42.92 43.73 3k2u s ASP 208 CO 0.22 0.03 0.30 -0.75 0.21 0.00 0.00 175.17 175.17 3k2u s LYS 209 N -1.15 0.36 -0.04 8.23 2.47 -1.10 -4.98 119.74 123.53 3k2u s LYS 209 Ca 0.01 0.39 -0.15 0.00 -1.56 0.00 0.00 55.97 54.66 3k2u s LYS 209 Cb -0.08 0.17 -0.05 0.00 -1.46 0.00 0.00 37.83 36.41 3k2u s LYS 209 CO 0.01 -0.05 0.39 0.21 0.16 0.00 0.00 175.35 176.08 3k2u s LYS 210 N 0.10 3.98 -0.32 4.03 2.20 -1.26 -1.58 119.74 126.90 3k2u s LYS 210 Ca -0.01 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.00 3k2u s LYS 210 Cb -0.02 -3.27 0.09 0.00 -1.51 0.00 0.00 37.83 33.12 3k2u s LYS 210 CO 0.01 0.58 0.02 0.08 -0.36 0.00 0.00 175.35 175.68 3k2u s VAL 211 N -0.70 2.12 0.33 4.02 1.01 0.15 -4.94 120.40 122.39 3k2u s VAL 211 Ca 0.23 -2.09 0.09 0.00 0.00 0.00 0.00 61.98 60.21 3k2u s VAL 211 Cb -0.16 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3k2u s VAL 211 CO 0.12 -0.47 -0.10 -0.70 0.00 0.00 0.00 175.10 173.94 3k2u s GLU 212 N 1.01 1.76 -0.99 2.72 2.12 -1.26 -4.37 118.70 119.69 3k2u s GLU 212 Ca 0.06 -1.90 -0.24 0.00 0.36 0.00 0.00 54.97 53.25 3k2u s GLU 212 Cb -0.19 -1.62 -0.09 0.00 0.26 0.00 0.00 34.13 32.49 3k2u s GLU 212 CO -0.09 0.14 2.03 -2.14 -0.54 0.00 0.00 175.26 174.67 3k2u s PRO 213 N -3.62 2.23 0.23 4.30 0.02 -1.26 -4.71 135.00 132.19 3k2u s PRO 213 Ca 0.32 -0.46 -0.30 0.00 0.02 0.00 0.00 61.00 60.58 3k2u s PRO 213 Cb 0.02 -5.07 -0.09 0.00 0.02 0.00 0.00 34.50 29.38 3k2u s PRO 213 CO 0.16 -3.98 1.18 0.15 -0.33 0.00 0.00 177.00 174.18 3k2u s LYS 214 N 7.30 4.52 0.04 5.54 1.02 -1.26 -5.00 119.74 131.89 3k2u s LYS 214 Ca 0.74 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 58.33 3k2u s LYS 214 Cb -0.06 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3k2u s LYS 214 CO 0.07 -0.00 0.97 -1.12 -0.92 0.00 0.00 175.35 174.35 3k2u s SER 215 N -0.27 7.41 0.00 2.83 0.01 -1.26 -5.10 113.70 117.32 3k2u s SER 215 Ca 0.50 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.46 3k2u s SER 215 Cb -0.33 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.32 3k2u s SER 215 CO 0.40 -0.19 0.34 0.00 0.41 0.00 0.00 173.24 174.19