#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k22 s VAL 17 N 0.00 5.17 -1.43 1.39 1.01 0.45 -4.14 120.40 122.86 1k22 s VAL 17 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1k22 s VAL 17 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1k22 s VAL 17 CO 0.00 0.54 1.02 -0.62 0.00 0.00 0.00 175.10 176.04 1k22 n GLU 18 N 2.68 -6.75 0.00 2.72 -0.58 -1.26 -2.19 120.64 115.26 1k22 n GLU 18 Ca -0.18 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1k22 n GLU 18 Cb 0.54 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 1k22 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k22 n GLY 19 N -1.83 3.71 3.41 0.62 0.00 -1.26 -4.43 105.19 105.40 1k22 n GLY 19 Ca -0.01 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 1k22 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k22 s SER 20 N -0.08 -0.10 0.29 1.61 1.04 -0.17 -4.92 113.70 111.36 1k22 s SER 20 Ca 0.00 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 1k22 s SER 20 Cb 0.00 0.49 -0.12 0.00 0.10 0.00 0.00 66.02 66.49 1k22 s SER 20 CO 0.00 -0.95 1.55 0.47 0.98 0.00 0.00 173.24 175.29 1k22 n ASP 21 N -0.26 3.63 -4.83 7.02 9.92 -1.26 -0.20 116.55 130.56 1k22 n ASP 21 Ca -0.09 1.15 -0.32 0.00 -0.53 0.00 0.00 54.79 55.00 1k22 n ASP 21 Cb 0.63 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1k22 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k22 s ALA 22 N -0.07 2.92 0.43 2.24 0.00 -0.07 -4.76 121.76 122.45 1k22 s ALA 22 Ca 0.64 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1k22 s ALA 22 Cb -0.52 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1k22 s ALA 22 CO 0.49 -0.64 0.81 -1.21 0.00 0.00 0.00 175.76 175.21 1k22 s GLU 23 N -4.44 3.78 0.22 0.00 2.02 -1.26 -4.94 118.70 114.08 1k22 s GLU 23 Ca 0.59 0.52 -0.32 0.00 0.02 0.00 0.00 54.97 55.79 1k22 s GLU 23 Cb -0.12 -2.35 -0.12 0.00 0.10 0.00 0.00 34.13 31.64 1k22 s GLU 23 CO 0.41 -0.09 1.71 -0.89 0.02 0.00 0.00 175.26 176.41 1k22 n ILE 24 N -1.44 0.17 -1.11 -1.63 2.08 -1.26 -1.60 119.36 114.57 1k22 n ILE 24 Ca 0.03 -0.04 -0.04 0.00 0.56 0.00 0.00 62.75 63.26 1k22 n ILE 24 Cb 0.54 -1.99 -0.02 0.00 -0.75 0.00 0.00 39.64 37.43 1k22 n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1k22 n GLY 25 N 3.67 0.58 0.18 7.39 0.00 -1.26 -4.90 105.19 110.85 1k22 n GLY 25 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1k22 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1k22 h MET 26 N 0.33 0.19 -2.06 1.61 -1.53 -1.67 -3.36 114.93 108.44 1k22 h MET 26 Ca -0.07 -0.11 -0.57 0.00 -3.44 0.00 0.00 59.70 55.51 1k22 h MET 26 Cb 0.55 0.01 -0.39 0.00 -0.55 0.00 0.00 31.60 31.21 1k22 h MET 26 CO 0.11 0.66 -1.03 0.43 0.14 0.00 0.00 176.91 177.22 1k22 n SER 27 N -3.95 0.62 0.06 1.39 7.64 -1.26 -4.97 113.62 113.14 1k22 n SER 27 Ca -0.02 -2.77 0.04 0.00 1.01 0.00 0.00 58.87 57.14 1k22 n SER 27 Cb 0.54 -0.64 0.23 0.00 -1.01 0.00 0.00 64.21 63.33 1k22 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1k22 n PRO 28 N 1.45 0.05 0.00 1.43 -0.04 -1.26 -0.97 135.00 135.67 1k22 n PRO 28 Ca 0.23 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1k22 n PRO 28 Cb 0.51 -1.66 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1k22 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k22 n TRP 29 N -1.77 0.00 -1.99 0.54 2.14 -0.99 -1.46 117.44 113.91 1k22 n TRP 29 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1k22 n TRP 29 Cb 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.47 1k22 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1k22 s GLN 30 N -2.31 4.25 0.04 -2.67 2.00 -0.14 -0.78 119.66 120.05 1k22 s GLN 30 Ca 0.25 2.30 0.08 0.00 -2.00 0.00 0.00 55.36 55.98 1k22 s GLN 30 Cb 0.19 -3.16 -0.03 0.00 0.80 0.00 0.00 33.01 30.82 1k22 s GLN 30 CO 0.47 -0.53 -0.21 0.08 -0.50 0.00 0.00 175.29 174.59 1k22 s VAL 31 N 0.87 1.73 -0.18 1.34 1.01 -0.07 -4.00 120.40 121.09 1k22 s VAL 31 Ca 0.67 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1k22 s VAL 31 Cb -0.42 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1k22 s VAL 31 CO 0.34 0.23 -0.03 -0.32 0.00 0.00 0.00 175.10 175.32 1k22 s MET 32 N -1.19 3.59 -0.28 2.72 1.75 -0.36 -1.35 119.30 124.18 1k22 s MET 32 Ca 0.08 -0.55 -0.19 0.00 -1.25 0.00 0.00 55.69 53.78 1k22 s MET 32 Cb -0.09 -2.99 -0.02 0.00 2.84 0.00 0.00 34.83 34.58 1k22 s MET 32 CO 0.02 0.07 0.59 -0.51 -0.65 0.00 0.00 175.02 174.54 1k22 s LEU 33 N 0.81 4.10 -0.16 4.11 1.43 0.52 -1.15 118.68 128.35 1k22 s LEU 33 Ca -0.01 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1k22 s LEU 33 Cb -0.14 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1k22 s LEU 33 CO 0.02 -0.38 -0.13 0.12 0.23 0.00 0.00 176.35 176.20 1k22 s PHE 34 N 2.47 2.82 -0.02 0.29 5.36 -0.08 -0.36 117.98 128.44 1k22 s PHE 34 Ca 0.24 -0.93 -0.30 0.00 -0.96 0.00 0.00 56.93 54.98 1k22 s PHE 34 Cb -0.15 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 1k22 s PHE 34 CO 0.10 -0.42 0.98 0.50 -1.46 0.00 0.00 175.22 174.92 1k22 s ARG 35 N 0.79 4.53 0.06 10.12 3.52 -0.39 -0.30 118.95 137.29 1k22 s ARG 35 Ca -0.05 1.41 -0.25 0.00 -0.13 0.00 0.00 55.73 56.71 1k22 s ARG 35 Cb -0.15 -3.48 -0.17 0.00 -1.56 0.00 0.00 34.95 29.59 1k22 s ARG 35 CO 0.01 -0.11 1.59 0.87 -0.81 0.00 0.00 175.30 176.86 1k22 h LYS 36 N 6.86 -0.17 -2.86 5.12 1.57 -1.70 -2.91 116.57 122.48 1k22 h LYS 36 Ca -0.39 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.16 1k22 h LYS 36 Cb 1.20 0.04 -0.33 0.00 0.08 0.00 0.00 32.23 33.22 1k22 h LYS 36 CO 0.77 -0.02 -0.56 -1.54 -0.57 0.00 0.00 179.45 177.53 1k22 s SER 36 N -5.14 0.52 0.38 0.86 1.04 -1.26 -2.70 113.70 107.40 1k22 s SER 36 Ca -0.14 0.46 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 1k22 s SER 36 Cb 0.05 0.59 -0.09 0.00 0.10 0.00 0.00 66.02 66.67 1k22 s SER 36 CO 0.64 -0.25 1.06 -2.16 0.98 0.00 0.00 173.24 173.52 1k22 s PRO 37 N 2.39 4.24 -0.19 4.02 0.04 -1.26 -5.05 135.00 139.19 1k22 s PRO 37 Ca 0.02 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 1k22 s PRO 37 Cb -0.12 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 1k22 s PRO 37 CO -0.08 -0.09 2.18 1.04 0.04 0.00 0.00 177.00 180.09 1k22 n GLN 38 N 0.16 2.04 -3.62 4.56 6.02 -1.10 -4.69 117.38 120.75 1k22 n GLN 38 Ca 0.04 0.60 -0.09 0.00 -0.01 0.00 0.00 57.00 57.53 1k22 n GLN 38 Cb 0.49 -3.15 -0.02 0.00 1.02 0.00 0.00 30.24 28.58 1k22 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1k22 s GLU 39 N 6.04 1.42 0.13 -1.09 -1.05 -1.10 -4.99 118.70 118.07 1k22 s GLU 39 Ca 1.00 -0.66 -0.31 0.00 -0.15 0.00 0.00 54.97 54.85 1k22 s GLU 39 Cb -0.39 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 1k22 s GLU 39 CO 0.37 -0.64 1.35 -1.17 0.95 0.00 0.00 175.26 176.12 1k22 s LEU 40 N -2.80 4.38 -0.16 1.83 2.96 -1.26 -1.26 118.68 122.36 1k22 s LEU 40 Ca 0.06 2.31 0.08 0.00 -0.22 0.00 0.00 54.13 56.36 1k22 s LEU 40 Cb -0.03 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.91 1k22 s LEU 40 CO -0.04 -0.60 -0.04 -0.11 -1.32 0.00 0.00 176.35 174.24 1k22 n LEU 41 N 3.62 1.20 0.00 -0.68 0.00 0.51 -4.84 117.00 116.81 1k22 n LEU 41 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1k22 n LEU 41 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.80 1k22 n LEU 41 CO 0.58 0.55 0.00 0.00 0.00 0.00 0.00 177.39 178.52 1k22 s GLY 43 N 0.00 1.76 0.05 0.00 0.00 0.11 -0.35 107.32 108.89 1k22 s GLY 43 Ca 0.00 -2.05 -0.26 0.00 0.00 0.00 0.00 44.72 42.41 1k22 s GLY 43 CO 0.00 -1.61 1.20 0.00 0.00 0.00 0.00 173.10 172.69 1k22 s ALA 44 N -2.67 -2.17 0.01 3.20 0.00 -0.46 -3.74 121.76 115.95 1k22 s ALA 44 Ca 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1k22 s ALA 44 Cb -0.06 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1k22 s ALA 44 CO 0.39 -1.12 0.03 -1.54 0.00 0.00 0.00 175.76 173.52 1k22 s SER 45 N -3.64 0.16 -0.27 0.00 1.04 0.26 -0.90 113.70 110.36 1k22 s SER 45 Ca 0.26 -0.40 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 1k22 s SER 45 Cb -0.01 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1k22 s SER 45 CO 0.01 -0.33 0.51 -0.22 0.98 0.00 0.00 173.24 174.19 1k22 s LEU 46 N -1.46 4.06 0.00 2.42 2.96 0.04 -0.32 118.68 126.39 1k22 s LEU 46 Ca -0.15 0.49 0.12 0.00 -0.22 0.00 0.00 54.13 54.37 1k22 s LEU 46 Cb -0.09 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1k22 s LEU 46 CO -0.00 -0.29 0.66 2.30 -1.32 0.00 0.00 176.35 177.70 1k22 n ILE 47 N 5.17 0.00 -3.89 6.68 -5.35 -0.70 -1.63 119.36 119.64 1k22 n ILE 47 Ca -0.04 -0.35 -0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1k22 n ILE 47 Cb 0.50 1.12 0.02 0.00 -1.74 0.00 0.00 39.64 39.53 1k22 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1k22 n SER 48 N -0.39 -1.72 0.10 7.28 3.41 -1.21 -4.75 113.62 116.34 1k22 n SER 48 Ca 0.04 -1.90 0.11 0.00 -0.26 0.00 0.00 58.87 56.86 1k22 n SER 48 Cb 0.24 2.80 0.46 0.00 -0.26 0.00 0.00 64.21 67.44 1k22 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k22 n ASP 49 N -1.29 0.56 0.00 4.04 3.85 -1.26 -3.65 116.55 118.79 1k22 n ASP 49 Ca -0.02 0.62 0.00 0.00 -0.71 0.00 0.00 54.79 54.68 1k22 n ASP 49 Cb 0.58 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 1k22 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1k22 n ARG 50 N -2.10 -0.15 -5.26 0.11 1.74 -1.26 -0.34 116.66 109.41 1k22 n ARG 50 Ca 0.03 -0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 56.55 1k22 n ARG 50 Cb 0.24 -0.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 1k22 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1k22 s TRP 51 N -0.05 2.41 -0.06 -1.55 0.52 -1.24 -0.69 118.94 118.28 1k22 s TRP 51 Ca 0.00 -0.70 0.05 0.00 0.02 0.00 0.00 56.10 55.47 1k22 s TRP 51 Cb 0.00 -1.58 -0.00 0.00 -1.15 0.00 0.00 33.47 30.74 1k22 s TRP 51 CO 0.00 -0.20 -0.20 0.08 0.02 0.00 0.00 176.95 176.65 1k22 s VAL 52 N -0.19 1.67 -0.08 4.03 1.01 -0.43 -1.72 120.40 124.70 1k22 s VAL 52 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1k22 s VAL 52 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1k22 s VAL 52 CO 0.03 0.47 0.06 -0.22 0.00 0.00 0.00 175.10 175.45 1k22 s LEU 53 N 0.06 3.88 0.00 3.92 2.96 0.57 -1.17 118.68 128.90 1k22 s LEU 53 Ca -0.06 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1k22 s LEU 53 Cb -0.13 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1k22 s LEU 53 CO 0.04 0.37 0.36 1.07 -1.32 0.00 0.00 176.35 176.86 1k22 n THR 54 N 1.90 0.00 -3.34 3.68 5.66 -0.50 -0.57 114.28 121.10 1k22 n THR 54 Ca -0.18 -0.70 -0.38 0.00 -3.05 0.00 0.00 64.05 59.74 1k22 n THR 54 Cb 0.54 0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 69.81 1k22 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k22 s ALA 55 N -1.82 3.58 0.34 1.79 0.00 -1.26 -1.00 121.76 123.39 1k22 s ALA 55 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1k22 s ALA 55 Cb -0.02 -2.58 0.66 0.00 0.00 0.00 0.00 23.12 21.18 1k22 s ALA 55 CO 0.08 0.30 1.96 0.00 0.00 0.00 0.00 175.76 178.11 1k22 h ALA 56 N 5.25 1.61 0.00 0.00 0.00 -1.70 -1.55 119.26 122.88 1k22 h ALA 56 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k22 h ALA 56 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1k22 h ALA 56 CO 0.66 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.82 1k22 n HIS 57 N -4.47 0.13 0.17 0.00 1.44 -1.26 -0.44 115.22 110.80 1k22 n HIS 57 Ca 0.10 0.05 0.04 0.00 -2.01 0.00 0.00 57.72 55.91 1k22 n HIS 57 Cb 0.16 -0.59 0.24 0.00 0.12 0.00 0.00 29.99 29.93 1k22 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k22 n LEU 59 N -3.46 2.06 -3.83 0.00 4.77 -0.17 -4.87 117.00 111.51 1k22 n LEU 59 Ca 0.00 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 1k22 n LEU 59 Cb 0.58 -0.32 -0.17 0.00 -2.33 0.00 0.00 43.42 41.18 1k22 n LEU 59 CO 0.38 0.66 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.48 1k22 s LEU 60 N -5.72 1.21 0.17 2.23 2.96 0.42 -1.17 118.68 118.80 1k22 s LEU 60 Ca -0.18 -0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 53.02 1k22 s LEU 60 Cb 0.05 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 46.07 1k22 s LEU 60 CO 0.45 -0.21 0.53 -0.47 -1.32 0.00 0.00 176.35 175.34 1k22 s TYR 60 N 1.78 -0.27 0.00 5.38 5.04 0.25 -4.03 117.35 125.50 1k22 s TYR 60 Ca 0.02 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1k22 s TYR 60 Cb -0.15 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1k22 s TYR 60 CO -0.07 -0.87 0.00 -2.30 -1.34 0.00 0.00 175.55 170.97 1k22 n PRO 60 N -0.34 0.00 -0.59 4.97 -0.02 -1.26 -1.71 135.00 136.05 1k22 n PRO 60 Ca -0.13 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.41 1k22 n PRO 60 Cb 0.63 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.39 1k22 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1k22 n TRP 60 N 0.00 1.24 -3.76 6.00 8.01 -1.26 -4.95 117.44 122.72 1k22 n TRP 60 Ca 0.00 -0.97 -0.29 0.00 -1.31 0.00 0.00 57.50 54.93 1k22 n TRP 60 Cb 0.00 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 1k22 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1k22 n ASP 60 N -0.42 -4.20 -4.70 -0.99 9.92 -1.09 -4.94 116.55 110.12 1k22 n ASP 60 Ca 0.25 -0.68 -0.36 0.00 -0.53 0.00 0.00 54.79 53.48 1k22 n ASP 60 Cb 0.99 -3.41 -0.08 0.00 -0.64 0.00 0.00 41.12 37.98 1k22 n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1k22 s LYS 60 N -6.44 4.17 -0.45 -1.24 2.20 -0.70 -4.99 119.74 112.28 1k22 s LYS 60 Ca 0.58 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 1k22 s LYS 60 Cb -0.30 -3.47 0.22 0.00 -1.51 0.00 0.00 37.83 32.76 1k22 s LYS 60 CO 0.72 0.17 0.90 -1.71 -0.36 0.00 0.00 175.35 175.07 1k22 n ASN 60 N 3.88 -2.68 -4.82 1.43 2.85 -1.22 -0.58 115.26 114.13 1k22 n ASN 60 Ca -0.14 -2.45 -0.34 0.00 -0.11 0.00 0.00 54.58 51.54 1k22 n ASN 60 Cb 0.52 1.44 -0.07 0.00 1.24 0.00 0.00 39.78 42.91 1k22 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1k22 s PHE 60 N 0.78 3.42 0.40 1.20 0.08 -0.32 -5.02 117.98 118.53 1k22 s PHE 60 Ca 0.29 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.96 1k22 s PHE 60 Cb 0.10 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.72 1k22 s PHE 60 CO -0.11 0.03 0.18 0.95 -0.10 0.00 0.00 175.22 176.17 1k22 s THR 60 N -1.98 2.45 0.22 0.64 -4.23 -1.26 -4.90 115.64 106.58 1k22 s THR 60 Ca 0.57 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 1k22 s THR 60 Cb -0.12 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1k22 s THR 60 CO 0.17 -0.03 1.61 -0.33 -0.54 0.00 0.00 174.62 175.49 1k22 h GLU 61 N 1.43 -0.01 0.00 3.99 3.07 -1.94 -1.35 114.58 119.76 1k22 h GLU 61 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1k22 h GLU 61 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1k22 h GLU 61 CO 0.68 -0.01 0.00 0.09 -1.40 0.00 0.00 179.01 178.37 1k22 n ASN 62 N -5.48 0.36 0.18 1.42 3.02 -1.26 -3.13 115.26 110.38 1k22 n ASN 62 Ca 0.09 0.61 0.13 0.00 -0.03 0.00 0.00 54.58 55.38 1k22 n ASN 62 Cb 0.37 -0.68 0.37 0.00 -0.61 0.00 0.00 39.78 39.23 1k22 n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1k22 h ASP 63 N 0.00 0.00 -5.56 6.41 3.32 -1.64 -3.48 116.42 115.48 1k22 h ASP 63 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 1k22 h ASP 63 Cb 0.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.65 1k22 h ASP 63 CO 0.00 0.00 -0.53 -1.48 -1.72 0.00 0.00 179.24 175.51 1k22 s LEU 64 N -5.46 1.59 0.14 1.55 2.34 -1.18 -1.90 118.68 115.74 1k22 s LEU 64 Ca 0.07 -1.63 0.04 0.00 0.06 0.00 0.00 54.13 52.67 1k22 s LEU 64 Cb 0.08 0.44 -0.04 0.00 -0.56 0.00 0.00 46.19 46.11 1k22 s LEU 64 CO 0.59 -0.98 -0.10 -0.76 -1.06 0.00 0.00 176.35 174.05 1k22 s LEU 65 N -3.33 2.51 -0.20 1.48 1.43 0.59 -4.52 118.68 116.64 1k22 s LEU 65 Ca 0.39 -0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1k22 s LEU 65 Cb 0.04 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 1k22 s LEU 65 CO 0.22 -0.32 -0.06 -0.69 0.23 0.00 0.00 176.35 175.72 1k22 s VAL 66 N -3.20 3.27 -0.30 -1.59 1.01 -0.04 -0.91 120.40 118.64 1k22 s VAL 66 Ca 0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1k22 s VAL 66 Cb 0.02 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.96 1k22 s VAL 66 CO 0.00 0.45 0.04 -0.13 0.00 0.00 0.00 175.10 175.46 1k22 s ARG 67 N 1.26 2.77 0.06 2.72 0.52 -0.30 -0.04 118.95 125.93 1k22 s ARG 67 Ca 0.03 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1k22 s ARG 67 Cb -0.14 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 1k22 s ARG 67 CO -0.02 -0.53 -0.04 0.42 0.02 0.00 0.00 175.30 175.14 1k22 s ILE 68 N 1.38 3.77 0.00 1.52 1.01 0.00 -1.23 121.20 127.66 1k22 s ILE 68 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1k22 s ILE 68 Cb -0.18 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1k22 s ILE 68 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1k22 n GLY 69 N 1.00 0.56 3.88 6.18 0.00 -1.26 -0.52 105.19 115.03 1k22 n GLY 69 Ca -0.13 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1k22 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k22 s LYS 70 N -0.90 3.62 0.21 1.61 1.02 -1.26 -4.26 119.74 119.77 1k22 s LYS 70 Ca 0.00 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1k22 s LYS 70 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1k22 s LYS 70 CO 0.00 -0.40 0.00 1.58 -0.92 0.00 0.00 175.35 175.61 1k22 n HIS 71 N -2.43 -1.66 -2.20 3.18 -0.00 -1.26 -4.93 115.22 105.93 1k22 n HIS 71 Ca 0.04 0.29 -0.40 0.00 -0.00 0.00 0.00 57.72 57.65 1k22 n HIS 71 Cb 0.54 0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 30.93 1k22 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1k22 s SER 72 N -5.25 6.87 -0.02 0.26 0.15 -1.26 -0.14 113.70 114.30 1k22 s SER 72 Ca 0.00 2.58 -0.20 0.00 0.70 0.00 0.00 55.95 59.04 1k22 s SER 72 Cb 0.00 -2.64 -0.12 0.00 -1.71 0.00 0.00 66.02 61.55 1k22 s SER 72 CO 0.00 -0.46 0.83 -0.09 1.20 0.00 0.00 173.24 174.73 1k22 h ARG 73 N 3.44 -0.52 0.00 5.44 2.43 -1.41 -3.40 114.38 120.36 1k22 h ARG 73 Ca -0.48 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1k22 h ARG 73 Cb 1.22 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1k22 h ARG 73 CO 0.66 -0.26 -1.17 0.25 -1.51 0.00 0.00 179.97 177.94 1k22 n THR 74 N -5.15 0.59 -3.12 0.20 -2.24 -1.26 -4.98 114.28 98.32 1k22 n THR 74 Ca -0.08 -0.55 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1k22 n THR 74 Cb 0.26 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 1k22 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1k22 s ARG 75 N -3.35 4.06 -0.53 -0.78 1.81 -1.26 -5.01 118.95 113.89 1k22 s ARG 75 Ca -0.02 0.73 -0.27 0.00 -1.72 0.00 0.00 55.73 54.45 1k22 s ARG 75 Cb 0.10 -2.52 0.03 0.00 -0.45 0.00 0.00 34.95 32.11 1k22 s ARG 75 CO 0.81 0.20 1.06 -0.47 -0.68 0.00 0.00 175.30 176.22 1k22 s TYR 76 N -1.89 2.76 -1.26 -0.53 5.04 -1.26 -4.87 117.35 115.34 1k22 s TYR 76 Ca 0.52 0.37 -0.15 0.00 -2.44 0.00 0.00 57.07 55.36 1k22 s TYR 76 Cb -0.12 -4.28 0.13 0.00 0.35 0.00 0.00 41.96 38.04 1k22 s TYR 76 CO 0.18 -1.36 1.60 0.39 -1.34 0.00 0.00 175.55 175.02 1k22 n GLU 77 N 7.81 3.30 -1.65 4.97 1.02 -1.26 -4.98 120.64 129.86 1k22 n GLU 77 Ca 0.07 -3.57 -0.46 0.00 -0.02 0.00 0.00 57.16 53.18 1k22 n GLU 77 Cb 0.49 -3.23 -0.03 0.00 -0.02 0.00 0.00 31.44 28.65 1k22 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1k22 n ARG 77 N 6.69 1.79 -0.85 3.49 0.63 -1.26 -1.11 116.66 126.05 1k22 n ARG 77 Ca 0.42 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1k22 n ARG 77 Cb 0.44 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.10 1k22 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1k22 n ASN 78 N 2.11 -1.59 0.06 6.15 3.02 -1.26 -4.74 115.26 119.01 1k22 n ASN 78 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1k22 n ASN 78 Cb 0.30 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1k22 n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k22 n ILE 79 N -2.19 0.98 -2.02 2.41 5.41 -0.65 -5.07 119.36 118.23 1k22 n ILE 79 Ca 0.00 0.33 -0.31 0.00 1.00 0.00 0.00 62.75 63.76 1k22 n ILE 79 Cb 0.09 -1.39 -0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1k22 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1k22 s GLU 80 N -1.94 3.69 -0.05 0.38 -1.05 -0.26 -4.77 118.70 114.71 1k22 s GLU 80 Ca 0.00 0.79 0.03 0.00 -0.15 0.00 0.00 54.97 55.64 1k22 s GLU 80 Cb 0.00 -2.10 0.01 0.00 -0.44 0.00 0.00 34.13 31.60 1k22 s GLU 80 CO 0.00 -0.48 -0.12 0.15 0.95 0.00 0.00 175.26 175.75 1k22 s LYS 81 N -4.88 1.49 -0.18 -4.83 -0.14 0.32 -4.87 119.74 106.65 1k22 s LYS 81 Ca 0.56 -0.43 -0.06 0.00 -1.36 0.00 0.00 55.97 54.69 1k22 s LYS 81 Cb -0.11 -1.28 -0.03 0.00 -1.68 0.00 0.00 37.83 34.73 1k22 s LYS 81 CO 0.48 0.11 0.02 0.42 -0.76 0.00 0.00 175.35 175.61 1k22 s ILE 82 N 0.37 4.33 0.13 2.17 1.01 -1.26 -0.82 121.20 127.13 1k22 s ILE 82 Ca -0.08 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1k22 s ILE 82 Cb -0.13 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1k22 s ILE 82 CO 0.02 0.47 -0.22 -0.44 0.00 0.00 0.00 174.94 174.76 1k22 s SER 83 N 0.47 2.87 0.20 3.58 0.01 0.94 -4.96 113.70 116.81 1k22 s SER 83 Ca 0.00 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1k22 s SER 83 Cb -0.13 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1k22 s SER 83 CO 0.02 0.08 0.37 -0.04 0.41 0.00 0.00 173.24 174.08 1k22 s MET 84 N -2.19 3.50 -0.12 12.44 -1.94 -1.26 -0.87 119.30 128.86 1k22 s MET 84 Ca 0.12 -0.42 -0.16 0.00 -1.71 0.00 0.00 55.69 53.51 1k22 s MET 84 Cb -0.09 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 1k22 s MET 84 CO 0.06 0.42 0.41 -0.51 -0.01 0.00 0.00 175.02 175.39 1k22 s LEU 85 N -3.37 4.29 -0.11 -0.03 1.02 -1.26 -1.94 118.68 117.28 1k22 s LEU 85 Ca 0.37 0.74 -0.13 0.00 0.02 0.00 0.00 54.13 55.13 1k22 s LEU 85 Cb -0.11 -2.58 -0.27 0.00 0.02 0.00 0.00 46.19 43.25 1k22 s LEU 85 CO 0.29 0.07 0.49 -0.08 0.02 0.00 0.00 176.35 177.14 1k22 h GLU 86 N 6.45 0.26 -1.95 1.70 4.81 -0.60 -3.44 114.58 121.81 1k22 h GLU 86 Ca -0.42 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.34 1k22 h GLU 86 Cb 1.18 0.16 -0.21 0.00 0.63 0.00 0.00 28.75 30.51 1k22 h GLU 86 CO 0.74 1.21 0.19 0.21 -0.73 0.00 0.00 179.01 180.62 1k22 s LYS 87 N -2.51 0.85 -0.04 1.92 2.47 -1.10 -4.99 119.74 116.34 1k22 s LYS 87 Ca -0.21 0.76 -0.01 0.00 -1.56 0.00 0.00 55.97 54.95 1k22 s LYS 87 Cb 0.05 0.41 -0.04 0.00 -1.46 0.00 0.00 37.83 36.80 1k22 s LYS 87 CO 0.77 -0.15 0.05 0.42 0.16 0.00 0.00 175.35 176.59 1k22 s ILE 88 N -0.06 4.57 -0.15 5.43 1.01 -1.26 -0.64 121.20 130.09 1k22 s ILE 88 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1k22 s ILE 88 Cb -0.04 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.46 1k22 s ILE 88 CO 0.03 0.45 0.03 -0.31 0.00 0.00 0.00 174.94 175.13 1k22 s TYR 89 N -1.07 0.85 -0.12 3.97 1.51 0.98 -4.99 117.35 118.47 1k22 s TYR 89 Ca 0.19 -0.60 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 1k22 s TYR 89 Cb -0.12 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1k22 s TYR 89 CO 0.09 -0.52 0.11 0.42 -1.11 0.00 0.00 175.55 174.54 1k22 s ILE 90 N 1.92 5.21 0.02 2.71 1.01 -1.26 -0.06 121.20 130.75 1k22 s ILE 90 Ca 0.01 0.10 -0.35 0.00 0.00 0.00 0.00 60.65 60.40 1k22 s ILE 90 Cb -0.15 -3.26 -0.14 0.00 0.01 0.00 0.00 42.46 38.92 1k22 s ILE 90 CO -0.07 0.61 1.63 1.57 0.00 0.00 0.00 174.94 178.68 1k22 n HIS 91 N 2.11 2.10 0.33 3.97 -0.00 -1.03 -4.82 115.22 117.88 1k22 n HIS 91 Ca -0.19 0.30 0.22 0.00 -0.00 0.00 0.00 57.72 58.05 1k22 n HIS 91 Cb 0.55 -2.52 1.18 0.00 -0.00 0.00 0.00 29.99 29.20 1k22 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1k22 h PRO 92 N 6.69 0.00 -0.30 1.57 0.13 -1.95 -2.04 132.00 136.10 1k22 h PRO 92 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1k22 h PRO 92 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1k22 h PRO 92 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 1k22 n ARG 93 N -3.03 3.08 -1.72 0.86 1.74 -1.26 -5.00 116.66 111.33 1k22 n ARG 93 Ca -0.03 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 53.73 1k22 n ARG 93 Cb 0.07 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1k22 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1k22 s TYR 94 N -2.85 2.55 -0.91 -1.55 5.04 -0.77 -4.74 117.35 114.12 1k22 s TYR 94 Ca 0.44 0.17 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 1k22 s TYR 94 Cb 0.35 -4.16 0.23 0.00 0.35 0.00 0.00 41.96 38.74 1k22 s TYR 94 CO 0.09 -4.57 0.84 1.21 -1.34 0.00 0.00 175.55 171.78 1k22 s ASN 95 N 1.89 6.67 0.24 4.32 3.84 0.80 -4.86 114.94 127.84 1k22 s ASN 95 Ca 0.78 -3.14 0.25 0.00 0.21 0.00 0.00 52.86 50.96 1k22 s ASN 95 Cb -0.48 -2.13 0.69 0.00 -0.55 0.00 0.00 41.25 38.78 1k22 s ASN 95 CO 0.34 -0.40 1.70 4.11 -2.79 0.00 0.00 177.10 180.06 1k22 h TRP 96 N 7.10 0.00 -0.18 0.43 5.08 -1.92 0.12 115.95 126.58 1k22 h TRP 96 Ca 0.12 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.95 1k22 h TRP 96 Cb 0.95 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.10 1k22 h TRP 96 CO 0.87 0.00 -0.50 0.00 -1.28 0.00 0.00 178.44 177.53 1k22 h ARG 97 N 0.00 0.51 0.00 0.12 3.08 -1.99 -3.44 114.38 112.66 1k22 h ARG 97 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1k22 h ARG 97 Cb 0.78 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1k22 h ARG 97 CO 0.00 0.89 -0.04 -1.91 -1.07 0.00 0.00 179.97 177.85 1k22 n GLU 97 N -3.97 0.02 -0.17 0.04 2.13 -1.25 -4.98 120.64 112.45 1k22 n GLU 97 Ca -0.03 0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.83 1k22 n GLU 97 Cb 0.57 -0.21 0.04 0.00 0.27 0.00 0.00 31.44 32.11 1k22 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1k22 n ASN 98 N -2.71 1.10 -2.76 4.31 0.23 -1.25 -4.99 115.26 109.20 1k22 n ASN 98 Ca -0.01 -2.11 -0.21 0.00 -0.53 0.00 0.00 54.58 51.73 1k22 n ASN 98 Cb 0.02 -0.18 0.03 0.00 -2.08 0.00 0.00 39.78 37.57 1k22 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1k22 n LEU 99 N -0.52 -2.58 -4.75 -4.53 4.32 0.43 -4.93 117.00 104.43 1k22 n LEU 99 Ca 0.05 -0.25 -0.41 0.00 -0.02 0.00 0.00 56.01 55.37 1k22 n LEU 99 Cb 0.55 -2.79 -0.02 0.00 -1.62 0.00 0.00 43.42 39.54 1k22 n LEU 99 CO 0.00 0.20 1.12 -0.62 -1.22 0.00 0.00 177.39 176.87 1k22 s ASP 100 N -2.70 6.58 -1.19 -1.43 3.68 -1.17 -2.46 116.67 117.97 1k22 s ASP 100 Ca 0.27 2.77 -0.03 0.00 2.13 0.00 0.00 52.55 57.69 1k22 s ASP 100 Cb -0.12 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.72 1k22 s ASP 100 CO 0.33 -0.74 1.01 0.54 0.13 0.00 0.00 175.17 176.44 1k22 n ARG 101 N 1.86 -6.74 -2.47 4.34 1.74 -1.26 -0.14 116.66 113.98 1k22 n ARG 101 Ca 0.05 0.80 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 1k22 n ARG 101 Cb 0.40 -5.69 -0.02 0.00 -1.02 0.00 0.00 32.46 26.13 1k22 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1k22 s ASP 102 N -3.92 6.42 -0.07 0.55 2.15 -1.03 -4.36 116.67 116.41 1k22 s ASP 102 Ca 0.21 -2.09 -0.16 0.00 0.43 0.00 0.00 52.55 50.93 1k22 s ASP 102 Cb -0.09 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1k22 s ASP 102 CO 0.69 -1.61 0.38 -0.51 -0.17 0.00 0.00 175.17 173.95 1k22 s ILE 103 N 5.72 0.03 0.01 4.11 2.07 -1.26 -3.85 121.20 128.04 1k22 s ILE 103 Ca 0.56 -0.26 -0.20 0.00 -1.41 0.00 0.00 60.65 59.34 1k22 s ILE 103 Cb 0.02 -0.64 0.04 0.00 0.13 0.00 0.00 42.46 42.01 1k22 s ILE 103 CO 0.06 -0.14 0.44 0.00 -1.91 0.00 0.00 174.94 173.39 1k22 s ALA 104 N -0.78 -1.12 0.15 1.50 0.00 -0.17 -2.47 121.76 118.87 1k22 s ALA 104 Ca -0.09 0.52 0.10 0.00 0.00 0.00 0.00 51.96 52.49 1k22 s ALA 104 Cb -0.04 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1k22 s ALA 104 CO 0.04 -0.40 -0.21 -0.51 0.00 0.00 0.00 175.76 174.68 1k22 s LEU 105 N -1.69 2.57 -0.05 0.00 1.43 0.92 -1.41 118.68 120.45 1k22 s LEU 105 Ca -0.08 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1k22 s LEU 105 Cb -0.02 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.86 1k22 s LEU 105 CO 0.01 0.15 0.01 -0.04 0.23 0.00 0.00 176.35 176.72 1k22 s MET 106 N -2.40 0.37 -0.14 1.70 -1.94 -0.31 -0.02 119.30 116.57 1k22 s MET 106 Ca 0.19 0.15 -0.16 0.00 -1.71 0.00 0.00 55.69 54.16 1k22 s MET 106 Cb -0.09 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.98 1k22 s MET 106 CO 0.10 -0.25 0.39 0.21 -0.01 0.00 0.00 175.02 175.45 1k22 s LYS 107 N 1.72 4.30 0.34 2.03 2.20 0.18 -1.31 119.74 129.20 1k22 s LYS 107 Ca 0.00 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.69 1k22 s LYS 107 Cb -0.13 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1k22 s LYS 107 CO -0.03 0.20 0.86 -0.51 -0.36 0.00 0.00 175.35 175.50 1k22 s LEU 108 N 0.55 4.15 0.22 5.43 1.43 0.13 0.09 118.68 130.68 1k22 s LEU 108 Ca 0.21 1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 54.83 1k22 s LEU 108 Cb -0.14 -4.13 0.17 0.00 0.03 0.00 0.00 46.19 42.13 1k22 s LEU 108 CO 0.07 -0.18 1.83 0.11 0.23 0.00 0.00 176.35 178.42 1k22 h LYS 109 N 2.60 1.15 -5.56 1.70 1.57 -1.68 -3.42 116.57 112.93 1k22 h LYS 109 Ca -0.48 -0.14 -0.46 0.00 -1.87 0.00 0.00 60.65 57.70 1k22 h LYS 109 Cb 1.18 -0.22 -0.23 0.00 0.08 0.00 0.00 32.23 33.05 1k22 h LYS 109 CO 0.64 0.86 -0.80 0.15 -0.57 0.00 0.00 179.45 179.73 1k22 s LYS 110 N -5.81 0.94 0.47 3.15 1.02 -1.26 -5.00 119.74 113.24 1k22 s LYS 110 Ca -0.13 -0.95 -0.23 0.00 0.02 0.00 0.00 55.97 54.68 1k22 s LYS 110 Cb 0.16 -1.02 -0.07 0.00 -0.52 0.00 0.00 37.83 36.38 1k22 s LYS 110 CO 0.82 0.24 1.21 -1.25 -0.92 0.00 0.00 175.35 175.44 1k22 s PRO 111 N -1.61 3.69 0.07 -1.68 0.04 -1.26 -4.85 135.00 129.41 1k22 s PRO 111 Ca 0.01 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1k22 s PRO 111 Cb -0.09 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1k22 s PRO 111 CO 0.02 -0.64 0.48 0.54 0.04 0.00 0.00 177.00 177.45 1k22 s VAL 112 N -1.47 4.93 0.01 -0.36 0.11 0.54 -5.00 120.40 119.16 1k22 s VAL 112 Ca 0.64 0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 60.27 1k22 s VAL 112 Cb -0.31 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1k22 s VAL 112 CO 0.38 0.42 0.79 0.00 -3.33 0.00 0.00 175.10 173.36 1k22 s ALA 113 N -1.26 3.32 0.63 1.54 0.00 -1.26 -4.79 121.76 119.95 1k22 s ALA 113 Ca 0.30 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1k22 s ALA 113 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1k22 s ALA 113 CO 0.17 -0.03 1.06 -0.06 0.00 0.00 0.00 175.76 176.90 1k22 s PHE 114 N 0.37 3.01 0.04 0.00 0.08 -1.26 -4.89 117.98 115.33 1k22 s PHE 114 Ca 0.41 1.48 -0.01 0.00 0.12 0.00 0.00 56.93 58.93 1k22 s PHE 114 Cb -0.20 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1k22 s PHE 114 CO 0.22 -1.18 0.07 -1.13 -0.10 0.00 0.00 175.22 173.10 1k22 n SER 115 N -2.46 -0.20 0.27 1.36 3.41 -0.10 -4.93 113.62 110.98 1k22 n SER 115 Ca 0.08 -1.16 0.14 0.00 -0.26 0.00 0.00 58.87 57.67 1k22 n SER 115 Cb 0.53 0.33 0.79 0.00 -0.26 0.00 0.00 64.21 65.60 1k22 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1k22 h ASP 116 N 0.19 0.00 -0.00 4.04 3.45 -1.98 -2.96 116.42 119.16 1k22 h ASP 116 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1k22 h ASP 116 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1k22 h ASP 116 CO 0.04 0.09 -0.53 -1.22 -1.57 0.00 0.00 179.24 176.05 1k22 n TYR 117 N -3.62 0.00 -3.98 4.55 4.02 -1.26 -4.77 117.16 112.10 1k22 n TYR 117 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 1k22 n TYR 117 Cb 0.20 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.36 1k22 n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1k22 s ILE 118 N -2.06 1.54 -0.27 -0.72 1.01 -1.12 -4.13 121.20 115.45 1k22 s ILE 118 Ca 0.06 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 1k22 s ILE 118 Cb 0.09 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 41.05 1k22 s ILE 118 CO 0.47 0.24 0.71 -2.28 0.00 0.00 0.00 174.94 174.08 1k22 s HIS 119 N 1.46 -0.81 0.50 3.97 2.46 -0.54 -0.92 115.29 121.41 1k22 s HIS 119 Ca 0.01 1.93 -0.20 0.00 0.47 0.00 0.00 55.06 57.27 1k22 s HIS 119 Cb -0.15 0.30 -0.08 0.00 -0.13 0.00 0.00 32.58 32.52 1k22 s HIS 119 CO -0.09 -0.39 1.06 -1.25 -2.47 0.00 0.00 174.74 171.60 1k22 s PRO 120 N 0.50 3.70 0.28 2.88 0.04 -1.26 -2.34 135.00 138.79 1k22 s PRO 120 Ca -0.01 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 1k22 s PRO 120 Cb -0.05 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1k22 s PRO 120 CO -0.01 -0.52 0.48 0.54 0.04 0.00 0.00 177.00 177.52 1k22 s VAL 121 N -1.95 5.14 0.41 -0.36 0.11 -0.65 -4.91 120.40 118.20 1k22 s VAL 121 Ca 0.68 -0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 1k22 s VAL 121 Cb -0.18 -3.80 -0.06 0.00 -1.53 0.00 0.00 36.38 30.81 1k22 s VAL 121 CO 0.22 -0.37 0.76 0.00 -3.33 0.00 0.00 175.10 172.38 1k22 s LEU 123 N -3.90 3.60 0.60 0.00 1.43 -1.26 -0.86 118.68 118.29 1k22 s LEU 123 Ca 0.51 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 1k22 s LEU 123 Cb -0.10 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1k22 s LEU 123 CO 0.32 0.34 1.07 -2.16 0.23 0.00 0.00 176.35 176.16 1k22 s PRO 124 N -0.67 3.22 0.54 1.29 0.04 -1.26 -4.95 135.00 133.22 1k22 s PRO 124 Ca 0.11 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.49 1k22 s PRO 124 Cb -0.12 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1k22 s PRO 124 CO 0.02 -0.90 0.50 0.16 0.04 0.00 0.00 177.00 176.82 1k22 s ASP 125 N -2.66 4.77 0.21 6.66 1.47 -1.26 -4.82 116.67 121.05 1k22 s ASP 125 Ca 0.65 -1.12 -0.09 0.00 1.18 0.00 0.00 52.55 53.17 1k22 s ASP 125 Cb -0.17 0.32 0.30 0.00 -0.34 0.00 0.00 42.92 43.03 1k22 s ASP 125 CO 0.37 -1.13 1.71 -0.09 0.68 0.00 0.00 175.17 176.71 1k22 h ARG 126 N 0.63 0.28 -0.41 2.11 2.43 -1.98 -1.99 114.38 115.45 1k22 h ARG 126 Ca -0.35 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 1k22 h ARG 126 Cb 1.30 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1k22 h ARG 126 CO 0.53 0.18 -0.14 1.05 -1.51 0.00 0.00 179.97 180.09 1k22 h GLU 127 N 0.28 0.75 0.00 0.20 9.09 -2.04 -1.06 114.58 121.80 1k22 h GLU 127 Ca 0.32 -0.26 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1k22 h GLU 127 Cb 0.47 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1k22 h GLU 127 CO -0.39 0.85 0.00 2.41 0.05 0.00 0.00 179.01 181.93 1k22 n THR 128 N -4.15 0.00 0.00 -1.06 -1.04 -0.75 -1.27 114.28 106.01 1k22 n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1k22 n THR 128 Cb 0.38 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1k22 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k22 n ALA 129 N 0.17 0.00 0.10 2.41 0.00 -0.40 -1.40 120.51 121.39 1k22 n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1k22 n ALA 129 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1k22 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k22 h SER 129 N 0.00 0.12 0.00 0.00 4.64 -1.45 -3.37 113.55 113.49 1k22 h SER 129 Ca 0.00 -0.09 -0.34 0.00 -0.47 0.00 0.00 61.79 60.89 1k22 h SER 129 Cb 0.00 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 1k22 h SER 129 CO 0.00 0.84 -2.35 0.18 -0.87 0.00 0.00 176.83 174.62 1k22 n LEU 129 N -3.69 0.01 -3.77 5.97 4.77 -0.49 -4.71 117.00 115.09 1k22 n LEU 129 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1k22 n LEU 129 Cb 0.73 0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1k22 n LEU 129 CO 0.45 0.46 2.62 0.18 -1.33 0.00 0.00 177.39 179.78 1k22 n LEU 130 N -2.71 6.63 -4.15 2.23 4.77 -1.26 -4.81 117.00 117.70 1k22 n LEU 130 Ca -0.31 -4.06 -0.24 0.00 -0.03 0.00 0.00 56.01 51.37 1k22 n LEU 130 Cb 1.11 -1.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 1k22 n LEU 130 CO 0.43 0.98 -0.49 -1.10 -1.33 0.00 0.00 177.39 175.88 1k22 s GLN 131 N 3.35 1.35 0.26 3.23 -0.21 -1.26 -4.94 119.66 121.44 1k22 s GLN 131 Ca 0.48 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 1k22 s GLN 131 Cb 0.14 -1.29 -0.14 0.00 1.00 0.00 0.00 33.01 32.71 1k22 s GLN 131 CO -0.07 0.35 1.13 0.00 -2.12 0.00 0.00 175.29 174.58 1k22 n ALA 132 N 2.70 0.03 0.00 6.09 0.00 -1.26 -1.19 120.51 126.88 1k22 n ALA 132 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1k22 n ALA 132 Cb 0.54 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1k22 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k22 n GLY 133 N 1.48 2.85 3.74 0.00 0.00 0.25 -4.92 105.19 108.59 1k22 n GLY 133 Ca 0.10 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1k22 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k22 s TYR 134 N -1.46 3.11 0.02 1.61 1.51 -0.33 -4.54 117.35 117.28 1k22 s TYR 134 Ca 0.00 1.10 -0.11 0.00 -1.01 0.00 0.00 57.07 57.06 1k22 s TYR 134 Cb 0.00 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 38.06 1k22 s TYR 134 CO 0.00 -2.35 0.35 0.15 -1.11 0.00 0.00 175.55 172.59 1k22 s LYS 135 N -0.27 3.75 0.48 -0.62 1.02 -1.26 -0.70 119.74 122.14 1k22 s LYS 135 Ca 0.58 0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.79 1k22 s LYS 135 Cb -0.40 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1k22 s LYS 135 CO 0.41 0.65 0.01 0.20 -0.92 0.00 0.00 175.35 175.70 1k22 s GLY 136 N -1.41 2.86 -0.07 -3.33 0.00 0.01 -4.82 107.32 100.56 1k22 s GLY 136 Ca 0.27 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1k22 s GLY 136 CO 0.14 -2.16 -0.16 -1.60 0.00 0.00 0.00 173.10 169.32 1k22 s ARG 137 N -3.83 2.07 -0.06 2.90 3.52 0.22 -0.87 118.95 122.90 1k22 s ARG 137 Ca 0.15 -0.57 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1k22 s ARG 137 Cb 0.04 -1.66 -0.02 0.00 -1.56 0.00 0.00 34.95 31.75 1k22 s ARG 137 CO 0.08 0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.57 1k22 s VAL 138 N 0.46 2.64 0.08 7.11 1.01 -0.15 -0.38 120.40 131.16 1k22 s VAL 138 Ca -0.14 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1k22 s VAL 138 Cb -0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1k22 s VAL 138 CO 0.05 0.57 -0.11 0.42 0.00 0.00 0.00 175.10 176.03 1k22 s THR 139 N -0.35 0.93 0.00 3.92 -4.23 -1.23 -1.47 115.64 113.21 1k22 s THR 139 Ca 0.03 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1k22 s THR 139 Cb -0.12 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1k22 s THR 139 CO 0.02 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1k22 n GLY 140 N 1.04 0.78 1.10 3.99 0.00 -0.87 -4.50 105.19 106.74 1k22 n GLY 140 Ca -0.20 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.01 1k22 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k22 n TRP 141 N -0.27 1.17 -1.29 1.61 8.01 -1.26 -1.74 117.44 123.68 1k22 n TRP 141 Ca 0.00 -0.82 -0.27 0.00 -1.31 0.00 0.00 57.50 55.10 1k22 n TRP 141 Cb 0.00 -0.34 0.21 0.00 -2.01 0.00 0.00 31.31 29.17 1k22 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1k22 n GLY 142 N -0.19 -2.31 3.55 6.99 0.00 -1.26 -4.61 105.19 107.36 1k22 n GLY 142 Ca 0.22 -1.56 -0.46 0.00 0.00 0.00 0.00 46.02 44.22 1k22 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k22 n ASN 143 N -4.38 0.85 0.12 1.61 4.13 0.15 -2.86 115.26 114.87 1k22 n ASN 143 Ca 0.14 1.16 0.12 0.00 1.68 0.00 0.00 54.58 57.69 1k22 n ASN 143 Cb 0.53 -1.21 0.25 0.00 -1.54 0.00 0.00 39.78 37.81 1k22 n ASN 143 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1k22 h LEU 144 N 2.12 0.00 -7.73 3.41 3.38 -0.66 0.12 115.31 115.94 1k22 h LEU 144 Ca -0.38 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 1k22 h LEU 144 Cb 1.36 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.94 1k22 h LEU 144 CO 0.62 0.03 -0.39 -0.54 0.09 0.00 0.00 178.44 178.25 1k22 s LYS 145 N -3.17 0.69 0.14 1.13 1.02 -1.26 -4.26 119.74 114.03 1k22 s LYS 145 Ca 0.07 -0.62 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 1k22 s LYS 145 Cb 0.11 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 1k22 s LYS 145 CO 0.67 -0.20 1.75 1.49 -0.92 0.00 0.00 175.35 178.13 1k22 h GLU 146 N 3.47 0.20 -0.54 1.68 4.81 -1.90 -3.48 114.58 118.82 1k22 h GLU 146 Ca -0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1k22 h GLU 146 Cb 1.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k22 h GLU 146 CO 0.48 0.13 0.00 2.41 -0.73 0.00 0.00 179.01 181.30 1k22 n THR 147 N -5.04 1.08 0.06 0.32 -1.04 -1.26 -4.97 114.28 103.43 1k22 n THR 147 Ca -0.01 -1.03 0.00 0.00 -2.04 0.00 0.00 64.05 60.97 1k22 n THR 147 Cb 0.10 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1k22 n THR 147 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k22 n GLY 150 N 1.04 -0.95 3.35 3.41 0.00 -1.26 -5.11 105.19 105.67 1k22 n GLY 150 Ca 0.19 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1k22 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k22 s GLN 151 N -2.00 2.73 0.64 1.61 -0.21 -1.26 -0.10 119.66 121.07 1k22 s GLN 151 Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 55.36 54.43 1k22 s GLN 151 Cb 0.00 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1k22 s GLN 151 CO 0.00 0.41 1.09 -1.25 -2.12 0.00 0.00 175.29 173.41 1k22 s PRO 152 N -0.20 2.97 0.03 2.91 0.04 -1.26 -4.97 135.00 134.52 1k22 s PRO 152 Ca -0.01 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1k22 s PRO 152 Cb -0.13 -1.98 -0.33 0.00 0.04 0.00 0.00 34.50 32.09 1k22 s PRO 152 CO 0.03 -1.10 0.97 1.03 0.04 0.00 0.00 177.00 177.97 1k22 h SER 153 N 0.06 0.72 -4.04 6.66 0.87 -1.97 -3.43 113.55 112.43 1k22 h SER 153 Ca -0.46 -0.82 -0.37 0.00 -1.23 0.00 0.00 61.79 58.91 1k22 h SER 153 Cb 1.23 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 62.81 1k22 h SER 153 CO 0.55 1.65 -0.64 0.68 -0.53 0.00 0.00 176.83 178.54 1k22 s VAL 154 N -2.61 0.89 0.21 2.23 -7.23 -1.26 -1.17 120.40 111.47 1k22 s VAL 154 Ca -0.09 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 1k22 s VAL 154 Cb 0.05 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.42 1k22 s VAL 154 CO 0.92 -0.25 1.06 -0.11 -0.31 0.00 0.00 175.10 176.42 1k22 n LEU 155 N -0.43 1.38 -4.77 1.32 7.94 0.80 -4.82 117.00 118.42 1k22 n LEU 155 Ca -0.04 1.15 -0.27 0.00 -1.11 0.00 0.00 56.01 55.74 1k22 n LEU 155 Cb 0.65 -1.21 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 1k22 n LEU 155 CO 0.37 -1.47 -0.25 -1.10 -1.11 0.00 0.00 177.39 173.83 1k22 s GLN 156 N -0.79 2.81 0.01 1.96 -1.52 -0.71 -0.89 119.66 120.53 1k22 s GLN 156 Ca 0.68 -0.86 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 1k22 s GLN 156 Cb -0.82 -2.62 -0.01 0.00 -0.22 0.00 0.00 33.01 29.34 1k22 s GLN 156 CO 0.55 0.50 -0.02 0.54 -0.25 0.00 0.00 175.29 176.61 1k22 s VAL 157 N -1.65 0.08 -0.16 1.09 0.11 0.72 -2.06 120.40 118.54 1k22 s VAL 157 Ca 0.30 -0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 1k22 s VAL 157 Cb -0.10 -0.16 0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1k22 s VAL 157 CO 0.22 -0.27 0.40 0.54 -3.33 0.00 0.00 175.10 172.66 1k22 s VAL 158 N -0.79 -0.01 -0.18 2.04 0.11 -0.54 -1.00 120.40 120.02 1k22 s VAL 158 Ca -0.09 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1k22 s VAL 158 Cb -0.05 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1k22 s VAL 158 CO -0.01 0.02 0.19 0.20 -3.33 0.00 0.00 175.10 172.17 1k22 s ASN 159 N 0.70 6.30 -0.00 3.54 0.01 -1.26 -0.98 114.94 123.24 1k22 s ASN 159 Ca -0.04 0.34 0.02 0.00 -0.71 0.00 0.00 52.86 52.47 1k22 s ASN 159 Cb -0.05 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 1k22 s ASN 159 CO -0.05 0.16 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.89 1k22 s LEU 160 N 0.34 2.03 0.34 0.60 1.43 -0.05 -4.95 118.68 118.42 1k22 s LEU 160 Ca 0.11 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 1k22 s LEU 160 Cb -0.12 -0.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.76 1k22 s LEU 160 CO 0.00 0.04 1.00 -2.16 0.23 0.00 0.00 176.35 175.47 1k22 s PRO 161 N -0.21 4.47 0.31 1.29 0.04 -1.26 -0.81 135.00 138.83 1k22 s PRO 161 Ca 0.01 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 1k22 s PRO 161 Cb -0.02 -2.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 1k22 s PRO 161 CO -0.00 0.15 1.13 0.42 0.04 0.00 0.00 177.00 178.74 1k22 s ILE 162 N -1.54 3.36 0.00 0.56 1.01 0.12 -1.04 121.20 123.67 1k22 s ILE 162 Ca 0.51 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.48 1k22 s ILE 162 Cb -0.22 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1k22 s ILE 162 CO 0.28 0.27 0.04 -0.69 0.00 0.00 0.00 174.94 174.84 1k22 s VAL 163 N -1.24 4.41 0.29 2.92 1.01 -0.37 -0.59 120.40 126.84 1k22 s VAL 163 Ca 0.48 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1k22 s VAL 163 Cb -0.32 -3.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 1k22 s VAL 163 CO 0.41 0.35 1.26 -0.62 0.00 0.00 0.00 175.10 176.51 1k22 n GLU 164 N 1.26 1.89 -0.30 2.72 4.71 -1.26 -4.63 120.64 125.04 1k22 n GLU 164 Ca -0.14 0.67 0.03 0.00 -0.01 0.00 0.00 57.16 57.71 1k22 n GLU 164 Cb 0.53 -2.22 0.17 0.00 -1.01 0.00 0.00 31.44 28.90 1k22 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k22 h ARG 165 N 2.99 0.82 -0.87 3.49 3.08 -1.98 -1.34 114.38 120.58 1k22 h ARG 165 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1k22 h ARG 165 Cb 1.30 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 1k22 h ARG 165 CO 0.67 0.54 0.56 -1.35 -1.07 0.00 0.00 179.97 179.32 1k22 h PRO 166 N 0.85 1.16 -0.44 0.04 0.11 -1.99 0.56 132.00 132.29 1k22 h PRO 166 Ca 0.40 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 1k22 h PRO 166 Cb 0.33 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1k22 h PRO 166 CO -0.23 0.78 -0.09 0.28 -0.21 0.00 0.00 178.00 178.53 1k22 h VAL 167 N 1.19 1.27 -0.11 3.15 2.07 -1.68 0.46 116.25 122.60 1k22 h VAL 167 Ca 0.32 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1k22 h VAL 167 Cb -0.11 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1k22 h VAL 167 CO -0.07 0.41 0.06 0.00 0.02 0.00 0.00 177.57 177.99 1k22 h LYS 169 N 0.12 0.74 0.00 0.00 3.64 -0.72 -2.58 116.57 117.77 1k22 h LYS 169 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k22 h LYS 169 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1k22 h LYS 169 CO -0.03 0.49 0.00 -0.25 -2.27 0.00 0.00 179.45 177.39 1k22 n ASP 170 N -4.73 0.00 -0.37 4.20 10.43 0.14 -3.17 116.55 123.05 1k22 n ASP 170 Ca 0.07 -0.32 0.12 0.00 2.57 0.00 0.00 54.79 57.23 1k22 n ASP 170 Cb 0.11 -0.18 0.11 0.00 1.84 0.00 0.00 41.12 42.99 1k22 n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1k22 n SER 171 N -1.18 1.62 -3.90 -2.24 3.41 -0.94 -4.98 113.62 105.40 1k22 n SER 171 Ca 0.14 -1.26 -0.08 0.00 -0.26 0.00 0.00 58.87 57.41 1k22 n SER 171 Cb 0.15 0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1k22 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1k22 s THR 172 N -2.54 0.16 -0.88 6.66 -1.32 -1.19 -4.83 115.64 111.69 1k22 s THR 172 Ca 0.19 -1.29 0.24 0.00 -1.21 0.00 0.00 61.69 59.63 1k22 s THR 172 Cb 0.18 -1.36 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1k22 s THR 172 CO 0.58 -0.71 1.32 0.54 -2.21 0.00 0.00 174.62 174.14 1k22 n ARG 173 N -0.00 0.09 -2.47 7.08 1.74 -1.26 -4.91 116.66 116.93 1k22 n ARG 173 Ca -0.15 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.56 1k22 n ARG 173 Cb 0.62 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 1k22 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k22 s ILE 174 N -3.06 3.52 -0.11 0.55 -1.09 -1.26 -4.99 121.20 114.76 1k22 s ILE 174 Ca 0.09 1.30 -0.30 0.00 -2.23 0.00 0.00 60.65 59.51 1k22 s ILE 174 Cb 0.16 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1k22 s ILE 174 CO 0.73 0.14 1.20 -0.60 -1.23 0.00 0.00 174.94 175.18 1k22 s ARG 175 N -2.13 4.31 -0.06 2.79 3.52 -1.26 -5.02 118.95 121.10 1k22 s ARG 175 Ca 0.54 1.64 -0.11 0.00 -0.13 0.00 0.00 55.73 57.66 1k22 s ARG 175 Cb -0.27 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 1k22 s ARG 175 CO 0.34 -0.55 0.28 0.42 -0.81 0.00 0.00 175.30 174.98 1k22 s ILE 176 N 2.74 5.26 0.44 4.11 -1.09 -1.26 -4.85 121.20 126.55 1k22 s ILE 176 Ca 0.54 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.55 1k22 s ILE 176 Cb -0.23 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1k22 s ILE 176 CO 0.18 0.60 0.17 0.42 -1.23 0.00 0.00 174.94 175.08 1k22 s THR 177 N -1.06 2.09 -1.19 2.92 -4.23 -1.26 -5.01 115.64 107.90 1k22 s THR 177 Ca 0.20 -1.73 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 1k22 s THR 177 Cb -0.14 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.09 1k22 s THR 177 CO 0.09 0.00 1.54 0.47 -0.54 0.00 0.00 174.62 176.18 1k22 n ASP 178 N -1.28 0.00 -0.79 3.99 9.92 -1.26 -2.43 116.55 124.71 1k22 n ASP 178 Ca -0.03 0.29 0.06 0.00 -0.53 0.00 0.00 54.79 54.57 1k22 n ASP 178 Cb 0.65 -0.40 0.18 0.00 -0.64 0.00 0.00 41.12 40.90 1k22 n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1k22 n ASN 179 N -1.40 2.26 -3.92 -2.24 3.02 -1.26 -4.86 115.26 106.86 1k22 n ASN 179 Ca 0.06 -2.07 -0.09 0.00 -0.03 0.00 0.00 54.58 52.45 1k22 n ASN 179 Cb 0.17 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.95 1k22 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k22 s MET 180 N -1.55 0.71 0.07 3.52 0.23 -1.02 -0.47 119.30 120.78 1k22 s MET 180 Ca 0.26 -0.91 -0.06 0.00 -1.03 0.00 0.00 55.69 53.95 1k22 s MET 180 Cb 0.15 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.71 1k22 s MET 180 CO 0.16 -0.19 0.12 -0.59 -2.03 0.00 0.00 175.02 172.48 1k22 s PHE 181 N -3.35 0.25 0.23 3.16 -0.12 -0.73 -4.78 117.98 112.64 1k22 s PHE 181 Ca 0.01 -0.69 0.12 0.00 -0.05 0.00 0.00 56.93 56.32 1k22 s PHE 181 Cb 0.03 -0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 1k22 s PHE 181 CO -0.08 -0.47 -0.22 0.00 -0.05 0.00 0.00 175.22 174.40 1k22 s ALA 183 N -2.08 -0.14 0.00 0.00 0.00 -0.52 -1.24 121.76 117.79 1k22 s ALA 183 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1k22 s ALA 183 Cb -0.06 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1k22 s ALA 183 CO 0.12 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1k22 n GLY 184 N 0.40 3.92 3.87 0.00 0.00 -0.21 -2.14 105.19 111.03 1k22 n GLY 184 Ca -0.17 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1k22 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k22 s TYR 184 N -2.00 3.48 0.45 1.61 1.51 -1.26 -4.57 117.35 116.56 1k22 s TYR 184 Ca 0.00 1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 57.16 1k22 s TYR 184 Cb 0.00 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1k22 s TYR 184 CO 0.00 -0.18 0.71 0.15 -1.11 0.00 0.00 175.55 175.12 1k22 s LYS 185 N -3.97 3.42 0.29 -0.62 1.02 -1.26 -4.80 119.74 113.83 1k22 s LYS 185 Ca 0.53 -0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.51 1k22 s LYS 185 Cb -0.10 -2.47 0.65 0.00 -0.52 0.00 0.00 37.83 35.39 1k22 s LYS 185 CO 0.33 -0.15 1.80 -1.35 -0.92 0.00 0.00 175.35 175.06 1k22 h PRO 186 N 0.37 0.84 0.00 -1.68 0.11 -1.95 -1.54 132.00 128.14 1k22 h PRO 186 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1k22 h PRO 186 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1k22 h PRO 186 CO 0.61 0.56 -0.20 0.38 -0.21 0.00 0.00 178.00 179.14 1k22 h ASP 186 N 0.87 0.00 0.50 -2.05 2.03 -1.97 -3.08 116.42 112.72 1k22 h ASP 186 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1k22 h ASP 186 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1k22 h ASP 186 CO -0.33 0.20 0.00 -0.62 -1.03 0.00 0.00 179.24 177.45 1k22 n GLU 186 N -3.28 0.03 0.00 4.15 1.02 -0.58 -4.90 120.64 117.08 1k22 n GLU 186 Ca 0.01 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1k22 n GLU 186 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1k22 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k22 n GLY 186 N 0.10 1.23 3.75 0.62 0.00 -1.17 -4.95 105.19 104.78 1k22 n GLY 186 Ca 0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1k22 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k22 s LYS 186 N 0.00 2.51 0.26 1.61 1.02 -1.26 -5.06 119.74 118.82 1k22 s LYS 186 Ca 0.00 1.54 0.01 0.00 0.02 0.00 0.00 55.97 57.54 1k22 s LYS 186 Cb 0.00 -1.90 -0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1k22 s LYS 186 CO 0.00 -1.51 0.02 0.54 -0.92 0.00 0.00 175.35 173.49 1k22 n ARG 187 N -2.56 1.15 0.00 1.68 1.74 -1.26 -4.64 116.66 112.77 1k22 n ARG 187 Ca 0.12 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1k22 n ARG 187 Cb 0.51 0.69 0.00 0.00 -1.02 0.00 0.00 32.46 32.65 1k22 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k22 n GLY 188 N 1.34 4.57 3.54 -0.13 0.00 -1.26 -4.89 105.19 108.36 1k22 n GLY 188 Ca -0.09 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.76 1k22 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k22 s ASP 189 N 0.00 -0.27 0.71 1.61 3.68 -0.93 -4.65 116.67 116.82 1k22 s ASP 189 Ca 0.00 0.00 -0.08 0.00 2.13 0.00 0.00 52.55 54.61 1k22 s ASP 189 Cb 0.00 0.29 0.05 0.00 -1.45 0.00 0.00 42.92 41.81 1k22 s ASP 189 CO 0.00 -0.46 1.03 0.00 0.13 0.00 0.00 175.17 175.87 1k22 s ALA 190 N -2.82 3.08 0.37 3.66 0.00 -1.26 -0.41 121.76 124.38 1k22 s ALA 190 Ca 0.07 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1k22 s ALA 190 Cb -0.01 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1k22 s ALA 190 CO -0.07 -1.28 0.67 0.00 0.00 0.00 0.00 175.76 175.08 1k22 n GLU 192 N -0.55 0.76 0.00 0.00 4.07 -1.26 -0.66 120.64 123.01 1k22 n GLU 192 Ca -0.05 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1k22 n GLU 192 Cb 0.60 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 1k22 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k22 n GLY 193 N 2.16 3.21 0.04 8.31 0.00 -1.26 -0.67 105.19 116.98 1k22 n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1k22 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k22 n ASP 194 N 0.00 0.62 -4.58 1.61 10.43 0.17 -3.79 116.55 121.02 1k22 n ASP 194 Ca 0.00 -0.04 -0.44 0.00 2.57 0.00 0.00 54.79 56.88 1k22 n ASP 194 Cb 0.00 0.31 -0.01 0.00 1.84 0.00 0.00 41.12 43.26 1k22 n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1k22 n SER 195 N -1.91 1.01 0.00 -2.24 7.64 -1.26 -1.35 113.62 115.50 1k22 n SER 195 Ca 0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1k22 n SER 195 Cb 0.41 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1k22 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k22 n GLY 196 N 1.29 2.52 3.75 0.23 0.00 -0.48 0.09 105.19 112.59 1k22 n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1k22 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k22 s GLY 197 N -1.88 1.62 0.18 -0.02 0.00 -0.46 -2.88 107.32 103.88 1k22 s GLY 197 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.48 1k22 s GLY 197 CO 0.00 0.35 0.55 2.56 0.00 0.00 0.00 173.10 176.56 1k22 s PRO 198 N -5.02 3.92 -0.33 2.90 0.04 -1.26 -0.55 135.00 134.70 1k22 s PRO 198 Ca 0.62 0.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 1k22 s PRO 198 Cb -0.17 -2.82 0.05 0.00 0.04 0.00 0.00 34.50 31.60 1k22 s PRO 198 CO 0.56 0.41 0.06 0.12 0.04 0.00 0.00 177.00 178.20 1k22 s PHE 199 N -1.60 3.27 0.27 0.56 5.36 -0.27 -3.55 117.98 122.03 1k22 s PHE 199 Ca 0.41 -1.66 0.10 0.00 -0.96 0.00 0.00 56.93 54.82 1k22 s PHE 199 Cb -0.14 -2.25 -0.05 0.00 -0.34 0.00 0.00 43.02 40.25 1k22 s PHE 199 CO 0.20 -0.77 -0.07 0.14 -1.46 0.00 0.00 175.22 173.26 1k22 s VAL 200 N 1.33 3.15 0.01 3.12 -7.23 0.49 -1.07 120.40 120.18 1k22 s VAL 200 Ca -0.03 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1k22 s VAL 200 Cb -0.20 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 1k22 s VAL 200 CO 0.01 -0.38 -0.02 -0.04 -0.31 0.00 0.00 175.10 174.36 1k22 s MET 201 N -3.61 0.18 -0.34 4.82 -1.94 -0.36 0.71 119.30 118.76 1k22 s MET 201 Ca 0.31 -0.26 -0.14 0.00 -1.71 0.00 0.00 55.69 53.89 1k22 s MET 201 Cb -0.06 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.73 1k22 s MET 201 CO 0.18 0.00 0.29 0.21 -0.01 0.00 0.00 175.02 175.70 1k22 s LYS 202 N -0.56 3.51 0.10 2.03 2.20 -1.26 -0.70 119.74 125.05 1k22 s LYS 202 Ca -0.05 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 54.69 1k22 s LYS 202 Cb -0.04 -3.81 -0.10 0.00 -1.51 0.00 0.00 37.83 32.37 1k22 s LYS 202 CO -0.00 -0.49 1.81 0.45 -0.36 0.00 0.00 175.35 176.75 1k22 s SER 203 N 1.73 6.47 0.00 1.43 0.15 -0.29 -4.85 113.70 118.33 1k22 s SER 203 Ca 0.08 2.68 0.25 0.00 0.70 0.00 0.00 55.95 59.67 1k22 s SER 203 Cb -0.17 -2.56 1.21 0.00 -1.71 0.00 0.00 66.02 62.79 1k22 s SER 203 CO 0.11 -0.99 1.83 -0.81 1.20 0.00 0.00 173.24 174.59 1k22 n PRO 204 N 5.93 0.24 -0.05 5.44 -0.04 -1.26 -0.35 135.00 144.91 1k22 n PRO 204 Ca 0.18 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 1k22 n PRO 204 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1k22 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1k22 h PHE 204 N 0.00 0.18 0.00 0.54 0.04 -1.97 -3.41 116.94 112.33 1k22 h PHE 204 Ca 0.00 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1k22 h PHE 204 Cb 0.30 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1k22 h PHE 204 CO 0.00 1.44 0.00 0.27 -0.60 0.00 0.00 178.31 179.42 1k22 n ASN 204 N -4.24 1.61 -2.94 2.17 2.04 -1.24 -5.01 115.26 107.65 1k22 n ASN 204 Ca -0.26 -1.70 -0.19 0.00 -0.44 0.00 0.00 54.58 51.99 1k22 n ASN 204 Cb 0.74 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.99 1k22 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1k22 n ASN 205 N -0.35 -4.45 -4.66 0.53 4.13 0.53 -4.99 115.26 106.00 1k22 n ASN 205 Ca 0.00 -0.16 -0.30 0.00 1.68 0.00 0.00 54.58 55.80 1k22 n ASN 205 Cb 0.21 -3.69 -0.08 0.00 -1.54 0.00 0.00 39.78 34.68 1k22 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1k22 s ARG 206 N -5.58 2.45 -0.02 3.52 0.52 -1.25 -4.83 118.95 113.76 1k22 s ARG 206 Ca 0.23 -0.88 -0.24 0.00 -0.52 0.00 0.00 55.73 54.32 1k22 s ARG 206 Cb -0.12 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 1k22 s ARG 206 CO 0.28 0.53 0.71 -1.58 0.02 0.00 0.00 175.30 175.27 1k22 s TRP 207 N -1.28 3.65 -0.05 -0.53 0.52 -1.26 -1.14 118.94 118.85 1k22 s TRP 207 Ca 0.24 1.33 0.06 0.00 0.02 0.00 0.00 56.10 57.76 1k22 s TRP 207 Cb -0.12 -2.79 -0.01 0.00 -1.15 0.00 0.00 33.47 29.41 1k22 s TRP 207 CO 0.17 0.19 -0.25 0.71 0.02 0.00 0.00 176.95 177.79 1k22 s TYR 208 N 0.35 2.35 -0.51 -1.98 2.02 0.12 -2.06 117.35 117.64 1k22 s TYR 208 Ca 0.37 -0.64 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 1k22 s TYR 208 Cb -0.19 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1k22 s TYR 208 CO 0.20 -0.17 0.81 -1.14 -1.57 0.00 0.00 175.55 173.68 1k22 s GLN 209 N -0.26 3.29 0.03 -0.62 0.74 -0.04 -1.23 119.66 121.58 1k22 s GLN 209 Ca -0.00 -0.39 0.14 0.00 0.05 0.00 0.00 55.36 55.16 1k22 s GLN 209 Cb -0.13 -4.03 -0.17 0.00 1.10 0.00 0.00 33.01 29.78 1k22 s GLN 209 CO 0.02 -1.32 0.82 0.52 -0.55 0.00 0.00 175.29 174.79 1k22 h MET 210 N 9.14 0.00 -4.51 1.67 2.86 -1.43 -3.40 114.93 119.26 1k22 h MET 210 Ca -0.26 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.12 1k22 h MET 210 Cb 1.08 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.61 1k22 h MET 210 CO 1.02 0.44 -0.52 0.20 1.06 0.00 0.00 176.91 179.11 1k22 s GLY 211 N -4.91 1.47 -0.07 8.32 0.00 -0.71 -1.85 107.32 109.58 1k22 s GLY 211 Ca -0.03 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.06 1k22 s GLY 211 CO 0.81 -1.30 -0.11 -0.42 0.00 0.00 0.00 173.10 172.08 1k22 s ILE 212 N -3.99 1.09 -0.11 0.90 1.01 -0.97 -1.11 121.20 118.03 1k22 s ILE 212 Ca 0.37 -0.43 -0.35 0.00 0.00 0.00 0.00 60.65 60.24 1k22 s ILE 212 Cb 0.05 -1.02 -0.12 0.00 0.01 0.00 0.00 42.46 41.38 1k22 s ILE 212 CO 0.14 0.35 1.86 0.52 0.00 0.00 0.00 174.94 177.82 1k22 n VAL 213 N 3.99 0.54 0.01 2.92 0.31 0.28 -0.98 118.33 125.41 1k22 n VAL 213 Ca -0.22 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 1k22 n VAL 213 Cb 0.51 -1.80 -0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1k22 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k22 n SER 214 N 6.46 0.56 -3.24 4.52 2.88 -0.76 -1.38 113.62 122.66 1k22 n SER 214 Ca 0.23 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1k22 n SER 214 Cb 0.28 -0.24 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 1k22 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1k22 s TRP 215 N -1.51 0.45 0.05 0.66 1.48 -0.98 -4.92 118.94 114.16 1k22 s TRP 215 Ca -0.02 -0.92 -0.25 0.00 -1.06 0.00 0.00 56.10 53.85 1k22 s TRP 215 Cb 0.00 0.44 0.08 0.00 -1.16 0.00 0.00 33.47 32.84 1k22 s TRP 215 CO 0.04 -1.33 1.16 0.41 -4.06 0.00 0.00 176.95 173.17 1k22 n GLY 216 N -0.52 0.36 2.84 3.67 0.00 -1.26 -0.57 105.19 109.72 1k22 n GLY 216 Ca -0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1k22 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k22 s GLU 217 N -2.03 1.10 1.32 1.61 2.02 -1.26 -5.01 118.70 116.45 1k22 s GLU 217 Ca 0.27 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.73 1k22 s GLU 217 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1k22 s GLU 217 CO 0.01 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.71 1k22 n GLY 219 N 4.42 -1.83 2.90 -1.39 0.00 -1.26 -4.83 105.19 103.20 1k22 n GLY 219 Ca 0.02 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1k22 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k22 n ASP 221 N 4.11 -4.97 -4.82 0.00 2.03 -1.26 -4.62 116.55 107.01 1k22 n ASP 221 Ca -0.26 -0.69 -0.37 0.00 0.52 0.00 0.00 54.79 54.00 1k22 n ASP 221 Cb 0.52 -3.97 -0.06 0.00 -0.72 0.00 0.00 41.12 36.89 1k22 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1k22 s ARG 221 N -6.48 4.12 0.30 -0.67 0.52 -1.26 -4.94 118.95 110.53 1k22 s ARG 221 Ca 0.61 0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 56.18 1k22 s ARG 221 Cb -0.30 -3.05 -0.11 0.00 0.52 0.00 0.00 34.95 32.00 1k22 s ARG 221 CO 0.76 0.53 1.58 -0.51 0.02 0.00 0.00 175.30 177.68 1k22 s ASP 222 N -1.45 6.38 0.00 0.23 1.11 -1.26 -1.97 116.67 119.70 1k22 s ASP 222 Ca 0.35 2.95 0.00 0.00 0.18 0.00 0.00 52.55 56.03 1k22 s ASP 222 Cb -0.17 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.18 1k22 s ASP 222 CO 0.19 -0.91 0.00 0.61 1.18 0.00 0.00 175.17 176.25 1k22 n GLY 223 N 2.05 1.29 3.56 0.21 0.00 -1.26 -5.02 105.19 106.03 1k22 n GLY 223 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1k22 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k22 s LYS 224 N -0.06 2.01 0.07 1.61 -0.14 -0.83 -4.73 119.74 117.66 1k22 s LYS 224 Ca 0.00 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.13 1k22 s LYS 224 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1k22 s LYS 224 CO 0.00 0.37 -0.06 0.71 -0.76 0.00 0.00 175.35 175.61 1k22 s TYR 225 N -2.19 0.71 0.28 3.18 1.51 -1.26 -4.70 117.35 114.89 1k22 s TYR 225 Ca 0.29 -0.80 -0.22 0.00 -1.01 0.00 0.00 57.07 55.32 1k22 s TYR 225 Cb -0.07 -0.43 -0.09 0.00 -0.11 0.00 0.00 41.96 41.26 1k22 s TYR 225 CO 0.17 -0.18 0.83 0.20 -1.11 0.00 0.00 175.55 175.46 1k22 s GLY 226 N -2.51 2.66 -0.05 0.71 0.00 -0.91 -4.68 107.32 102.54 1k22 s GLY 226 Ca 0.03 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1k22 s GLY 226 CO -0.04 0.71 -0.07 -1.36 0.00 0.00 0.00 173.10 172.33 1k22 s PHE 227 N -1.63 2.91 0.05 1.90 0.40 0.27 -1.43 117.98 120.45 1k22 s PHE 227 Ca 0.48 0.00 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 1k22 s PHE 227 Cb -0.17 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1k22 s PHE 227 CO 0.21 0.33 -0.16 0.71 0.70 0.00 0.00 175.22 177.01 1k22 s TYR 228 N -0.85 1.42 0.17 0.36 1.51 0.48 -1.82 117.35 118.62 1k22 s TYR 228 Ca 0.13 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1k22 s TYR 228 Cb -0.11 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1k22 s TYR 228 CO 0.03 0.07 1.29 0.99 -1.11 0.00 0.00 175.55 176.82 1k22 s THR 229 N -0.95 3.37 -0.75 -0.71 2.01 -0.15 -1.77 115.64 116.69 1k22 s THR 229 Ca 0.03 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.85 1k22 s THR 229 Cb -0.09 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1k22 s THR 229 CO 0.02 0.15 1.27 -2.28 -0.69 0.00 0.00 174.62 173.09 1k22 s HIS 230 N 0.32 2.31 0.15 4.92 2.46 0.38 -2.29 115.29 123.53 1k22 s HIS 230 Ca 0.57 -0.10 -0.17 0.00 0.47 0.00 0.00 55.06 55.83 1k22 s HIS 230 Cb -0.35 -4.62 0.02 0.00 -0.13 0.00 0.00 32.58 27.50 1k22 s HIS 230 CO 0.36 -2.05 1.78 0.28 -2.47 0.00 0.00 174.74 172.63 1k22 h VAL 231 N 6.05 1.00 -0.90 0.89 2.07 -1.67 -2.88 116.25 120.81 1k22 h VAL 231 Ca -0.26 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1k22 h VAL 231 Cb 1.05 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1k22 h VAL 231 CO 1.28 0.07 0.60 0.15 0.02 0.00 0.00 177.57 179.69 1k22 h PHE 232 N 0.37 1.14 -0.17 1.57 3.57 -1.87 -1.59 116.94 119.95 1k22 h PHE 232 Ca 0.14 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1k22 h PHE 232 Cb 0.03 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1k22 h PHE 232 CO -0.09 0.72 0.21 0.00 -2.23 0.00 0.00 178.31 176.92 1k22 h ARG 233 N 1.23 0.00 -0.23 1.11 2.47 -1.88 -1.28 114.38 115.80 1k22 h ARG 233 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1k22 h ARG 233 Cb -0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1k22 h ARG 233 CO -0.07 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.74 1k22 n LEU 234 N -3.72 3.18 0.08 3.04 4.77 -0.67 -4.67 117.00 119.01 1k22 n LEU 234 Ca 0.01 -2.58 0.01 0.00 -0.03 0.00 0.00 56.01 53.42 1k22 n LEU 234 Cb 0.33 -0.37 0.33 0.00 -2.33 0.00 0.00 43.42 41.37 1k22 n LEU 234 CO 0.26 0.68 0.84 0.50 -1.33 0.00 0.00 177.39 178.35 1k22 h LYS 235 N 1.47 0.32 -0.68 3.23 3.64 -0.48 -2.60 116.57 121.47 1k22 h LYS 235 Ca 0.00 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1k22 h LYS 235 Cb 1.05 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 1k22 h LYS 235 CO 0.10 0.48 0.38 0.87 -2.27 0.00 0.00 179.45 179.00 1k22 h LYS 236 N 0.30 0.67 -0.45 1.90 1.57 -1.83 0.16 116.57 118.88 1k22 h LYS 236 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1k22 h LYS 236 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1k22 h LYS 236 CO 0.03 0.44 0.10 2.35 -0.57 0.00 0.00 179.45 181.81 1k22 h TRP 237 N 0.69 0.77 -0.12 -1.35 7.01 -1.83 -1.23 115.95 119.89 1k22 h TRP 237 Ca 0.31 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.23 1k22 h TRP 237 Cb 0.20 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1k22 h TRP 237 CO -0.08 0.71 -0.03 0.82 -2.79 0.00 0.00 178.44 177.07 1k22 h ILE 238 N 0.60 0.88 -0.84 2.65 2.04 -0.97 -1.44 117.51 120.44 1k22 h ILE 238 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1k22 h ILE 238 Cb 0.33 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1k22 h ILE 238 CO 0.00 0.00 0.49 -0.61 0.00 0.00 0.00 178.15 178.03 1k22 h GLN 239 N -0.00 1.15 -0.03 2.37 5.75 -0.60 -1.71 115.11 122.04 1k22 h GLN 239 Ca 0.06 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1k22 h GLN 239 Cb 0.08 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 1k22 h GLN 239 CO -0.12 0.82 0.02 -0.22 -2.65 0.00 0.00 178.83 176.68 1k22 h LYS 240 N 1.16 0.04 -0.27 1.69 3.64 -0.82 0.31 116.57 122.31 1k22 h LYS 240 Ca 0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1k22 h LYS 240 Cb -0.02 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1k22 h LYS 240 CO -0.05 0.03 0.17 0.28 -2.27 0.00 0.00 179.45 177.61 1k22 h VAL 241 N 0.04 1.08 -0.48 2.00 2.07 -1.05 0.04 116.25 119.96 1k22 h VAL 241 Ca 0.01 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1k22 h VAL 241 Cb -0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1k22 h VAL 241 CO -0.00 0.08 -0.09 0.40 0.02 0.00 0.00 177.57 177.97 1k22 h ILE 242 N 0.36 1.27 -0.57 4.57 2.04 -1.18 0.17 117.51 124.16 1k22 h ILE 242 Ca 0.10 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1k22 h ILE 242 Cb -0.02 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1k22 h ILE 242 CO -0.02 0.42 0.14 0.44 0.00 0.00 0.00 178.15 179.13 1k22 h ASP 243 N 0.77 0.83 0.09 1.72 3.45 -0.19 0.20 116.42 123.29 1k22 h ASP 243 Ca 0.12 -0.16 -0.18 0.00 0.43 0.00 0.00 57.03 57.25 1k22 h ASP 243 Cb 0.64 -0.22 0.02 0.00 -0.56 0.00 0.00 39.33 39.21 1k22 h ASP 243 CO 0.04 0.81 -0.76 -0.61 -1.57 0.00 0.00 179.24 177.16 1k22 h GLN 244 N 0.85 0.36 -0.47 3.56 4.15 -0.82 -3.37 115.11 119.37 1k22 h GLN 244 Ca 0.18 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1k22 h GLN 244 Cb 0.31 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1k22 h GLN 244 CO -0.00 1.20 0.00 1.19 -1.93 0.00 0.00 178.83 179.29 1k22 n PHE 245 N -4.14 0.64 -1.82 3.99 3.01 0.03 -5.10 117.46 114.07 1k22 n PHE 245 Ca -0.13 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 57.83 1k22 n PHE 245 Cb 0.78 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1k22 n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18