#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k21 s VAL 17 N 0.00 5.44 -1.54 1.39 1.01 0.03 -4.08 120.40 122.64 1k21 s VAL 17 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1k21 s VAL 17 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1k21 s VAL 17 CO 0.00 0.53 0.69 -0.62 0.00 0.00 0.00 175.10 175.71 1k21 n GLU 18 N 2.68 -5.37 0.00 2.72 -0.58 -1.26 -2.65 120.64 116.18 1k21 n GLU 18 Ca -0.18 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1k21 n GLU 18 Cb 0.53 -5.81 0.00 0.00 -0.57 0.00 0.00 31.44 25.60 1k21 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k21 n GLY 19 N -1.60 2.67 3.27 0.62 0.00 -1.26 -4.58 105.19 104.30 1k21 n GLY 19 Ca -0.10 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1k21 n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k21 s SER 20 N -0.62 0.12 0.30 1.61 0.01 0.17 -4.91 113.70 110.38 1k21 s SER 20 Ca 0.00 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.09 1k21 s SER 20 Cb 0.00 0.38 -0.10 0.00 0.21 0.00 0.00 66.02 66.51 1k21 s SER 20 CO 0.00 -0.81 1.41 -1.81 0.41 0.00 0.00 173.24 172.43 1k21 s ASP 21 N -2.95 6.63 0.61 2.44 1.11 -1.26 -0.08 116.67 123.17 1k21 s ASP 21 Ca 0.15 2.75 -0.14 0.00 0.18 0.00 0.00 52.55 55.49 1k21 s ASP 21 Cb 0.05 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1k21 s ASP 21 CO -0.03 -0.68 1.04 0.00 1.18 0.00 0.00 175.17 176.69 1k21 s ALA 22 N -0.60 2.81 0.50 5.23 0.00 0.33 -4.75 121.76 125.27 1k21 s ALA 22 Ca 0.55 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 1k21 s ALA 22 Cb -0.42 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1k21 s ALA 22 CO 0.50 -0.82 0.81 -1.21 0.00 0.00 0.00 175.76 175.05 1k21 s GLU 23 N -4.44 3.52 0.19 0.00 2.02 -1.26 -4.93 118.70 113.80 1k21 s GLU 23 Ca 0.60 0.24 -0.32 0.00 0.02 0.00 0.00 54.97 55.52 1k21 s GLU 23 Cb -0.14 -2.34 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 1k21 s GLU 23 CO 0.42 -0.26 1.62 0.42 0.02 0.00 0.00 175.26 177.48 1k21 s ILE 24 N -2.80 2.37 -0.17 -1.63 -1.09 -1.26 -1.94 121.20 114.69 1k21 s ILE 24 Ca 0.48 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 1k21 s ILE 24 Cb -0.10 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1k21 s ILE 24 CO 0.46 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1k21 n GLY 25 N 3.66 0.40 0.17 6.18 0.00 -1.26 -4.89 105.19 109.45 1k21 n GLY 25 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1k21 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1k21 h MET 26 N 0.45 0.03 -2.04 1.61 -1.53 -1.76 -3.34 114.93 108.34 1k21 h MET 26 Ca -0.03 -0.01 -0.55 0.00 -3.44 0.00 0.00 59.70 55.66 1k21 h MET 26 Cb 0.50 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.15 1k21 h MET 26 CO 0.05 0.49 -1.04 0.45 0.14 0.00 0.00 176.91 176.99 1k21 n SER 27 N -3.99 0.99 0.06 1.39 2.88 -1.26 -4.97 113.62 108.72 1k21 n SER 27 Ca -0.02 -2.91 0.04 0.00 -1.33 0.00 0.00 58.87 54.66 1k21 n SER 27 Cb 0.49 -0.64 0.23 0.00 -0.75 0.00 0.00 64.21 63.54 1k21 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1k21 n PRO 28 N 1.02 0.05 0.00 -1.46 -0.04 -1.26 -0.88 135.00 132.44 1k21 n PRO 28 Ca 0.24 0.55 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 1k21 n PRO 28 Cb 0.54 -1.69 0.26 0.00 -0.04 0.00 0.00 33.50 32.56 1k21 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k21 n TRP 29 N -1.79 0.00 -1.94 0.54 2.14 -0.92 -1.20 117.44 114.27 1k21 n TRP 29 Ca -0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 1k21 n TRP 29 Cb 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.49 1k21 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1k21 s GLN 30 N -2.12 4.22 0.00 -2.67 2.00 -0.06 -0.39 119.66 120.66 1k21 s GLN 30 Ca 0.30 2.39 0.04 0.00 -2.00 0.00 0.00 55.36 56.08 1k21 s GLN 30 Cb 0.20 -3.07 -0.01 0.00 0.80 0.00 0.00 33.01 30.93 1k21 s GLN 30 CO 0.37 -0.46 -0.12 0.08 -0.50 0.00 0.00 175.29 174.66 1k21 s VAL 31 N -0.22 0.92 -0.18 1.34 1.01 -0.29 -3.95 120.40 119.02 1k21 s VAL 31 Ca 0.59 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1k21 s VAL 31 Cb -0.44 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1k21 s VAL 31 CO 0.47 0.17 -0.04 -0.32 0.00 0.00 0.00 175.10 175.38 1k21 s MET 32 N -0.52 3.57 -0.21 2.72 1.75 -0.51 -0.84 119.30 125.25 1k21 s MET 32 Ca 0.03 -0.56 -0.21 0.00 -1.25 0.00 0.00 55.69 53.70 1k21 s MET 32 Cb -0.05 -2.94 -0.02 0.00 2.84 0.00 0.00 34.83 34.65 1k21 s MET 32 CO -0.00 0.10 0.65 -0.51 -0.65 0.00 0.00 175.02 174.61 1k21 s LEU 33 N 0.74 4.12 -0.09 4.11 1.43 0.47 -0.94 118.68 128.53 1k21 s LEU 33 Ca -0.02 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1k21 s LEU 33 Cb -0.15 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1k21 s LEU 33 CO 0.02 -0.31 -0.20 0.12 0.23 0.00 0.00 176.35 176.20 1k21 s PHE 34 N 2.10 2.61 0.01 0.29 5.36 0.12 -0.52 117.98 127.95 1k21 s PHE 34 Ca 0.29 -0.77 -0.27 0.00 -0.96 0.00 0.00 56.93 55.22 1k21 s PHE 34 Cb -0.16 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 1k21 s PHE 34 CO 0.10 -0.26 0.84 0.50 -1.46 0.00 0.00 175.22 174.95 1k21 s ARG 35 N 0.12 4.53 0.00 10.12 3.52 -0.69 0.37 118.95 136.91 1k21 s ARG 35 Ca -0.10 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1k21 s ARG 35 Cb -0.16 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1k21 s ARG 35 CO 0.06 0.10 0.39 1.63 -0.81 0.00 0.00 175.30 176.67 1k21 n LYS 36 N 3.44 0.00 0.00 5.12 5.02 -0.65 -3.35 118.16 127.74 1k21 n LYS 36 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1k21 n LYS 36 Cb 0.51 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1k21 n LYS 36 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1k21 n SER 36 N -0.52 0.00 -4.56 4.39 3.41 -1.26 -2.33 113.62 112.75 1k21 n SER 36 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1k21 n SER 36 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1k21 n SER 36 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1k21 s PRO 37 N 0.00 2.81 -0.43 4.33 0.02 -1.26 -4.84 135.00 135.64 1k21 s PRO 37 Ca 0.00 -0.21 -0.34 0.00 0.02 0.00 0.00 61.00 60.47 1k21 s PRO 37 Cb 0.00 -4.87 -0.12 0.00 0.02 0.00 0.00 34.50 29.53 1k21 s PRO 37 CO 0.00 -2.90 2.26 1.04 -0.33 0.00 0.00 177.00 177.07 1k21 n GLN 38 N 8.99 0.95 -3.73 5.54 6.02 -0.98 -4.67 117.38 129.50 1k21 n GLN 38 Ca 0.31 0.23 -0.09 0.00 -0.01 0.00 0.00 57.00 57.43 1k21 n GLN 38 Cb 0.49 -2.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 1k21 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1k21 s GLU 39 N 6.69 1.57 0.01 -1.09 -1.05 -1.21 -4.99 118.70 118.63 1k21 s GLU 39 Ca 1.11 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 54.79 1k21 s GLU 39 Cb -0.84 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 33.39 1k21 s GLU 39 CO 0.47 -0.70 1.21 -1.17 0.95 0.00 0.00 175.26 176.02 1k21 s LEU 40 N -2.87 4.33 -0.21 1.83 2.96 -1.26 -1.71 118.68 121.75 1k21 s LEU 40 Ca 0.09 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 1k21 s LEU 40 Cb -0.04 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 1k21 s LEU 40 CO -0.00 -0.53 -0.16 0.18 -1.32 0.00 0.00 176.35 174.52 1k21 n LEU 41 N 4.50 2.67 -3.93 -0.68 4.77 0.33 -4.90 117.00 119.76 1k21 n LEU 41 Ca 0.10 -0.10 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1k21 n LEU 41 Cb 0.46 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1k21 n LEU 41 CO 0.56 0.81 1.16 0.00 -1.33 0.00 0.00 177.39 178.58 1k21 s GLY 43 N -3.72 1.93 0.18 0.00 0.00 0.10 -0.39 107.32 105.42 1k21 s GLY 43 Ca 0.28 -1.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.05 1k21 s GLY 43 CO -0.03 -1.51 1.04 0.00 0.00 0.00 0.00 173.10 172.60 1k21 s ALA 44 N -2.39 -1.62 0.02 3.20 0.00 -0.02 -3.67 121.76 117.28 1k21 s ALA 44 Ca 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1k21 s ALA 44 Cb -0.09 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1k21 s ALA 44 CO 0.34 -1.07 0.00 -1.54 0.00 0.00 0.00 175.76 173.49 1k21 s SER 45 N -3.41 0.20 -0.30 0.00 1.04 0.17 -1.14 113.70 110.26 1k21 s SER 45 Ca 0.22 -0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 1k21 s SER 45 Cb -0.03 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1k21 s SER 45 CO 0.05 -0.32 0.47 -0.22 0.98 0.00 0.00 173.24 174.20 1k21 s LEU 46 N -1.48 4.19 0.00 2.42 2.96 0.48 -0.50 118.68 126.75 1k21 s LEU 46 Ca -0.15 0.20 0.15 0.00 -0.22 0.00 0.00 54.13 54.10 1k21 s LEU 46 Cb -0.09 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.08 1k21 s LEU 46 CO -0.01 -0.34 0.85 2.30 -1.32 0.00 0.00 176.35 177.83 1k21 n ILE 47 N 5.26 0.00 -3.88 6.68 -5.35 -0.69 -1.66 119.36 119.71 1k21 n ILE 47 Ca -0.06 -0.39 -0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1k21 n ILE 47 Cb 0.50 1.21 0.01 0.00 -1.74 0.00 0.00 39.64 39.62 1k21 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k21 s SER 48 N -1.62 -0.01 0.04 7.28 1.04 -1.22 -4.75 113.70 114.45 1k21 s SER 48 Ca 0.14 -0.42 0.15 0.00 0.48 0.00 0.00 55.95 56.30 1k21 s SER 48 Cb 0.12 0.33 0.65 0.00 0.10 0.00 0.00 66.02 67.21 1k21 s SER 48 CO 0.32 -0.64 1.48 -0.90 0.98 0.00 0.00 173.24 174.47 1k21 n ASP 49 N -1.04 0.10 0.00 7.02 3.85 -1.26 -3.48 116.55 121.75 1k21 n ASP 49 Ca -0.01 0.53 0.00 0.00 -0.71 0.00 0.00 54.79 54.59 1k21 n ASP 49 Cb 0.60 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 1k21 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1k21 n ARG 50 N -1.61 0.48 -5.23 0.11 1.74 -1.26 -0.49 116.66 110.40 1k21 n ARG 50 Ca 0.03 -0.18 -0.31 0.00 -0.77 0.00 0.00 57.85 56.62 1k21 n ARG 50 Cb 0.17 -0.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.82 1k21 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1k21 s TRP 51 N -0.12 2.32 -0.05 -1.55 0.52 -1.23 -0.56 118.94 118.28 1k21 s TRP 51 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 56.10 55.55 1k21 s TRP 51 Cb 0.00 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 1k21 s TRP 51 CO 0.00 -0.17 -0.21 0.08 0.02 0.00 0.00 176.95 176.67 1k21 s VAL 52 N -0.25 1.75 -0.07 4.03 1.01 -0.24 -1.71 120.40 124.92 1k21 s VAL 52 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1k21 s VAL 52 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1k21 s VAL 52 CO 0.02 0.49 -0.00 -0.22 0.00 0.00 0.00 175.10 175.39 1k21 s LEU 53 N -0.13 3.54 0.00 3.92 2.96 0.34 -0.74 118.68 128.57 1k21 s LEU 53 Ca -0.02 0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1k21 s LEU 53 Cb -0.12 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.78 1k21 s LEU 53 CO 0.02 0.37 0.54 1.07 -1.32 0.00 0.00 176.35 177.03 1k21 n THR 54 N 2.06 0.00 -3.04 3.68 5.66 -0.54 -0.66 114.28 121.45 1k21 n THR 54 Ca -0.18 -0.82 -0.38 0.00 -3.05 0.00 0.00 64.05 59.62 1k21 n THR 54 Cb 0.53 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.99 1k21 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k21 s ALA 55 N -1.90 3.43 0.34 1.79 0.00 -1.26 -0.73 121.76 123.43 1k21 s ALA 55 Ca 0.13 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1k21 s ALA 55 Cb -0.03 -2.89 0.60 0.00 0.00 0.00 0.00 23.12 20.80 1k21 s ALA 55 CO 0.10 0.31 1.98 0.00 0.00 0.00 0.00 175.76 178.15 1k21 h ALA 56 N 3.93 1.50 0.00 0.00 0.00 -1.71 -1.97 119.26 121.01 1k21 h ALA 56 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1k21 h ALA 56 Cb 1.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1k21 h ALA 56 CO 0.65 0.44 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 1k21 n HIS 57 N -4.41 0.00 0.21 0.00 1.44 -1.26 -0.85 115.22 110.34 1k21 n HIS 57 Ca 0.06 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.86 1k21 n HIS 57 Cb 0.07 -0.46 0.29 0.00 0.12 0.00 0.00 29.99 30.00 1k21 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k21 n LEU 59 N -3.22 1.25 -3.81 0.00 4.77 -0.55 -4.91 117.00 110.53 1k21 n LEU 59 Ca 0.02 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1k21 n LEU 59 Cb 0.53 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.41 1k21 n LEU 59 CO 0.35 0.39 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.18 1k21 s LEU 60 N -4.98 0.87 0.19 2.23 2.96 -0.03 -1.28 118.68 118.65 1k21 s LEU 60 Ca -0.08 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.35 1k21 s LEU 60 Cb 0.03 -0.59 0.05 0.00 0.50 0.00 0.00 46.19 46.18 1k21 s LEU 60 CO 0.27 -0.19 0.59 -0.47 -1.32 0.00 0.00 176.35 175.23 1k21 s TYR 60 N 1.87 -0.36 0.00 5.38 5.04 0.58 -4.05 117.35 125.82 1k21 s TYR 60 Ca 0.04 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1k21 s TYR 60 Cb -0.13 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1k21 s TYR 60 CO -0.06 -0.92 0.00 -2.30 -1.34 0.00 0.00 175.55 170.92 1k21 n PRO 60 N -0.37 0.00 -0.28 4.97 -0.02 -1.26 -1.86 135.00 136.17 1k21 n PRO 60 Ca -0.13 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1k21 n PRO 60 Cb 0.63 -0.10 0.19 0.00 -0.02 0.00 0.00 33.50 34.21 1k21 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1k21 n TRP 60 N 0.00 0.65 -3.34 6.00 8.01 -1.26 -4.97 117.44 122.53 1k21 n TRP 60 Ca 0.00 -0.68 -0.24 0.00 -1.31 0.00 0.00 57.50 55.27 1k21 n TRP 60 Cb 0.00 -0.16 0.04 0.00 -2.01 0.00 0.00 31.31 29.19 1k21 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1k21 n ASP 60 N -0.02 -5.83 -4.68 -0.99 9.92 -1.08 -4.98 116.55 108.90 1k21 n ASP 60 Ca 0.15 -0.43 -0.37 0.00 -0.53 0.00 0.00 54.79 53.62 1k21 n ASP 60 Cb 0.63 -4.67 -0.08 0.00 -0.64 0.00 0.00 41.12 36.36 1k21 n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1k21 s LYS 60 N -6.03 4.14 -0.46 -1.24 2.20 -0.78 -4.97 119.74 112.60 1k21 s LYS 60 Ca 0.44 -0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1k21 s LYS 60 Cb -0.20 -3.51 0.24 0.00 -1.51 0.00 0.00 37.83 32.85 1k21 s LYS 60 CO 0.55 0.09 0.94 -1.71 -0.36 0.00 0.00 175.35 174.86 1k21 n ASN 60 N 4.13 -2.67 -4.78 1.43 5.15 -1.20 -0.31 115.26 117.01 1k21 n ASN 60 Ca -0.13 -2.96 -0.34 0.00 -0.60 0.00 0.00 54.58 50.55 1k21 n ASN 60 Cb 0.52 1.62 0.01 0.00 -0.53 0.00 0.00 39.78 41.39 1k21 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1k21 s PHE 60 N 0.63 2.80 0.41 1.20 0.08 -0.40 -5.02 117.98 117.67 1k21 s PHE 60 Ca 0.31 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.98 1k21 s PHE 60 Cb 0.20 -3.15 -0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1k21 s PHE 60 CO -0.20 -1.34 0.15 0.95 -0.10 0.00 0.00 175.22 174.68 1k21 s THR 60 N -2.09 2.31 0.31 0.64 -4.23 -1.26 -4.93 115.64 106.39 1k21 s THR 60 Ca 0.68 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 1k21 s THR 60 Cb -0.20 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1k21 s THR 60 CO 0.31 -0.02 1.71 -0.33 -0.54 0.00 0.00 174.62 175.74 1k21 h GLU 61 N 1.50 0.46 0.00 3.99 3.07 -1.92 -1.62 114.58 120.05 1k21 h GLU 61 Ca -0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1k21 h GLU 61 Cb 1.25 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1k21 h GLU 61 CO 0.71 0.31 0.00 0.09 -1.40 0.00 0.00 179.01 178.72 1k21 n ASN 62 N -4.97 0.14 0.15 1.42 3.02 -1.26 -3.68 115.26 110.08 1k21 n ASN 62 Ca 0.26 0.52 0.13 0.00 -0.03 0.00 0.00 54.58 55.46 1k21 n ASN 62 Cb 0.75 -0.55 0.40 0.00 -0.61 0.00 0.00 39.78 39.77 1k21 n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1k21 h ASP 63 N 0.00 0.00 -5.73 6.41 3.32 -1.68 -3.47 116.42 115.27 1k21 h ASP 63 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1k21 h ASP 63 Cb 0.48 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 1k21 h ASP 63 CO 0.00 0.00 -0.41 -1.48 -1.72 0.00 0.00 179.24 175.63 1k21 s LEU 64 N -5.00 1.41 0.08 1.55 2.34 -1.24 -1.64 118.68 116.18 1k21 s LEU 64 Ca 0.08 -1.60 0.02 0.00 0.06 0.00 0.00 54.13 52.68 1k21 s LEU 64 Cb 0.10 0.83 -0.04 0.00 -0.56 0.00 0.00 46.19 46.52 1k21 s LEU 64 CO 0.57 -1.10 -0.07 -0.76 -1.06 0.00 0.00 176.35 173.93 1k21 s LEU 65 N -3.29 2.44 -0.12 1.48 1.43 0.16 -4.50 118.68 116.28 1k21 s LEU 65 Ca 0.37 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1k21 s LEU 65 Cb 0.02 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 1k21 s LEU 65 CO 0.23 -0.41 -0.15 0.68 0.23 0.00 0.00 176.35 176.93 1k21 s VAL 66 N -3.06 2.93 -0.27 -1.59 -7.23 -0.66 0.13 120.40 110.65 1k21 s VAL 66 Ca 0.06 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1k21 s VAL 66 Cb 0.01 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.76 1k21 s VAL 66 CO -0.04 0.54 0.01 -0.13 -0.31 0.00 0.00 175.10 175.17 1k21 s ARG 67 N 0.21 3.05 0.04 4.82 0.52 -0.11 -0.88 118.95 126.60 1k21 s ARG 67 Ca -0.09 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1k21 s ARG 67 Cb -0.15 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 1k21 s ARG 67 CO 0.05 -0.38 -0.03 0.42 0.02 0.00 0.00 175.30 175.38 1k21 s ILE 68 N 1.43 3.91 0.00 1.52 1.01 0.16 -1.42 121.20 127.81 1k21 s ILE 68 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1k21 s ILE 68 Cb -0.16 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1k21 s ILE 68 CO -0.01 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1k21 n GLY 69 N 1.12 0.54 3.89 6.18 0.00 -1.25 -0.32 105.19 115.35 1k21 n GLY 69 Ca -0.13 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 1k21 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k21 s LYS 70 N -1.12 3.62 0.20 1.61 1.02 -1.26 -4.24 119.74 119.58 1k21 s LYS 70 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1k21 s LYS 70 Cb 0.00 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1k21 s LYS 70 CO 0.00 -0.29 0.00 1.58 -0.92 0.00 0.00 175.35 175.72 1k21 n HIS 71 N -2.21 -1.52 -2.28 3.18 -0.00 -1.26 -4.93 115.22 106.20 1k21 n HIS 71 Ca 0.03 0.27 -0.41 0.00 -0.00 0.00 0.00 57.72 57.61 1k21 n HIS 71 Cb 0.55 0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.92 1k21 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1k21 s SER 72 N -5.24 7.00 -0.02 0.26 0.15 -1.26 -0.13 113.70 114.46 1k21 s SER 72 Ca 0.00 2.47 -0.24 0.00 0.70 0.00 0.00 55.95 58.88 1k21 s SER 72 Cb 0.00 -2.63 -0.18 0.00 -1.71 0.00 0.00 66.02 61.50 1k21 s SER 72 CO 0.00 -0.37 1.14 -0.09 1.20 0.00 0.00 173.24 175.13 1k21 h ARG 73 N 3.82 -0.18 0.00 5.44 2.43 -1.46 -3.40 114.38 121.03 1k21 h ARG 73 Ca -0.47 0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.42 1k21 h ARG 73 Cb 1.22 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1k21 h ARG 73 CO 0.67 0.23 -1.98 0.25 -1.51 0.00 0.00 179.97 177.64 1k21 n THR 74 N -4.96 1.34 -2.12 0.20 -2.24 -1.26 -4.99 114.28 100.24 1k21 n THR 74 Ca -0.09 -0.79 -0.34 0.00 -2.27 0.00 0.00 64.05 60.57 1k21 n THR 74 Cb 0.26 -0.67 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 1k21 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1k21 s ARG 75 N -2.67 3.30 -0.46 -0.78 1.81 -1.26 -4.98 118.95 113.91 1k21 s ARG 75 Ca -0.07 1.36 -0.22 0.00 -1.72 0.00 0.00 55.73 55.08 1k21 s ARG 75 Cb 0.08 -2.02 0.03 0.00 -0.45 0.00 0.00 34.95 32.58 1k21 s ARG 75 CO 0.83 -0.85 0.76 -0.47 -0.68 0.00 0.00 175.30 174.89 1k21 s TYR 76 N -2.19 3.00 -1.21 -0.53 5.04 -1.26 -4.89 117.35 115.30 1k21 s TYR 76 Ca 0.67 0.07 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 1k21 s TYR 76 Cb -0.19 -3.62 0.12 0.00 0.35 0.00 0.00 41.96 38.62 1k21 s TYR 76 CO 0.33 -0.99 1.52 -1.21 -1.34 0.00 0.00 175.55 173.86 1k21 s GLU 77 N 3.21 3.98 0.25 4.97 2.02 -1.26 -4.98 118.70 126.89 1k21 s GLU 77 Ca 0.28 -2.21 -0.31 0.00 0.02 0.00 0.00 54.97 52.74 1k21 s GLU 77 Cb -0.13 -5.24 -0.13 0.00 0.10 0.00 0.00 34.13 28.72 1k21 s GLU 77 CO 0.21 -1.98 1.38 -2.13 0.02 0.00 0.00 175.26 172.77 1k21 n ARG 77 N 6.93 2.00 -0.88 1.61 0.63 -1.26 -1.02 116.66 124.66 1k21 n ARG 77 Ca 0.40 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1k21 n ARG 77 Cb 0.45 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1k21 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1k21 n ASN 78 N 2.00 -1.80 0.07 6.15 4.13 -1.26 -4.73 115.26 119.82 1k21 n ASN 78 Ca 0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1k21 n ASN 78 Cb 0.32 -1.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.19 1k21 n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1k21 n ILE 79 N -2.24 0.70 -2.16 2.41 5.41 -0.78 -5.08 119.36 117.61 1k21 n ILE 79 Ca 0.00 0.23 -0.32 0.00 1.00 0.00 0.00 62.75 63.66 1k21 n ILE 79 Cb 0.09 -1.13 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1k21 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1k21 s GLU 80 N -1.87 3.72 -0.04 0.38 -1.05 -0.19 -4.78 118.70 114.87 1k21 s GLU 80 Ca 0.00 0.92 0.04 0.00 -0.15 0.00 0.00 54.97 55.77 1k21 s GLU 80 Cb 0.00 -2.10 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1k21 s GLU 80 CO 0.00 -0.46 -0.14 0.15 0.95 0.00 0.00 175.26 175.75 1k21 s LYS 81 N -4.46 1.58 -0.18 -4.83 -0.14 0.57 -4.87 119.74 107.40 1k21 s LYS 81 Ca 0.58 -0.50 -0.06 0.00 -1.36 0.00 0.00 55.97 54.63 1k21 s LYS 81 Cb -0.11 -1.37 -0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1k21 s LYS 81 CO 0.40 0.18 0.02 0.42 -0.76 0.00 0.00 175.35 175.60 1k21 s ILE 82 N 0.18 4.29 0.12 2.17 1.01 -1.26 -0.67 121.20 127.04 1k21 s ILE 82 Ca -0.05 -0.21 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1k21 s ILE 82 Cb -0.11 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1k21 s ILE 82 CO 0.02 0.46 -0.23 -0.44 0.00 0.00 0.00 174.94 174.74 1k21 s SER 83 N 0.56 2.92 0.17 3.58 0.01 -0.06 -4.98 113.70 115.89 1k21 s SER 83 Ca 0.00 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1k21 s SER 83 Cb -0.14 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1k21 s SER 83 CO 0.02 0.11 0.33 -0.04 0.41 0.00 0.00 173.24 174.06 1k21 s MET 84 N -2.07 3.48 -0.08 12.44 -1.94 -1.26 -1.66 119.30 128.21 1k21 s MET 84 Ca 0.11 -0.47 -0.16 0.00 -1.71 0.00 0.00 55.69 53.46 1k21 s MET 84 Cb -0.10 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 1k21 s MET 84 CO 0.05 0.47 0.41 -0.51 -0.01 0.00 0.00 175.02 175.44 1k21 s LEU 85 N -3.23 4.35 -0.12 -0.03 1.43 -1.26 -1.50 118.68 118.32 1k21 s LEU 85 Ca 0.36 0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 1k21 s LEU 85 Cb -0.11 -2.59 -0.26 0.00 0.03 0.00 0.00 46.19 43.26 1k21 s LEU 85 CO 0.29 0.15 0.46 -0.08 0.23 0.00 0.00 176.35 177.39 1k21 h GLU 86 N 5.94 0.22 -2.05 1.70 4.81 -0.72 -3.44 114.58 121.03 1k21 h GLU 86 Ca -0.45 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.34 1k21 h GLU 86 Cb 1.19 0.14 -0.20 0.00 0.63 0.00 0.00 28.75 30.52 1k21 h GLU 86 CO 0.70 1.18 0.15 0.21 -0.73 0.00 0.00 179.01 180.52 1k21 s LYS 87 N -2.49 0.97 -0.05 1.92 2.47 -1.15 -4.95 119.74 116.46 1k21 s LYS 87 Ca -0.22 0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 1k21 s LYS 87 Cb 0.05 0.46 -0.03 0.00 -1.46 0.00 0.00 37.83 36.85 1k21 s LYS 87 CO 0.75 -0.25 -0.02 0.42 0.16 0.00 0.00 175.35 176.40 1k21 s ILE 88 N -0.71 4.06 -0.12 5.43 1.01 -1.26 -0.91 121.20 128.69 1k21 s ILE 88 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1k21 s ILE 88 Cb -0.02 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.76 1k21 s ILE 88 CO 0.07 0.53 -0.03 -0.31 0.00 0.00 0.00 174.94 175.20 1k21 s TYR 89 N -0.92 1.20 -0.10 3.97 1.51 0.96 -5.00 117.35 118.97 1k21 s TYR 89 Ca 0.15 -0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1k21 s TYR 89 Cb -0.11 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1k21 s TYR 89 CO 0.04 -0.49 -0.01 0.42 -1.11 0.00 0.00 175.55 174.40 1k21 s ILE 90 N 1.80 4.23 0.02 2.71 1.01 -1.26 -0.09 121.20 129.62 1k21 s ILE 90 Ca 0.03 -0.27 -0.35 0.00 0.00 0.00 0.00 60.65 60.06 1k21 s ILE 90 Cb -0.14 -2.80 -0.14 0.00 0.01 0.00 0.00 42.46 39.39 1k21 s ILE 90 CO -0.07 0.58 1.62 1.57 0.00 0.00 0.00 174.94 178.64 1k21 n HIS 91 N 2.44 2.08 0.25 3.97 -0.00 -1.03 -4.83 115.22 118.11 1k21 n HIS 91 Ca -0.18 0.32 0.18 0.00 -0.00 0.00 0.00 57.72 58.04 1k21 n HIS 91 Cb 0.53 -2.51 0.89 0.00 -0.00 0.00 0.00 29.99 28.90 1k21 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1k21 h PRO 92 N 6.60 0.00 -0.32 1.57 0.13 -1.94 -1.84 132.00 136.20 1k21 h PRO 92 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1k21 h PRO 92 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1k21 h PRO 92 CO 0.89 0.00 0.01 0.54 -0.23 0.00 0.00 178.00 179.21 1k21 n ARG 93 N -3.52 2.91 -1.68 0.86 1.74 -1.26 -4.99 116.66 110.72 1k21 n ARG 93 Ca 0.00 -2.92 -0.42 0.00 -0.77 0.00 0.00 57.85 53.74 1k21 n ARG 93 Cb 0.30 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1k21 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1k21 s TYR 94 N -2.90 1.71 -1.06 -1.55 5.04 -0.69 -4.71 117.35 113.19 1k21 s TYR 94 Ca 0.44 -0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.70 1k21 s TYR 94 Cb 0.36 -4.23 0.25 0.00 0.35 0.00 0.00 41.96 38.69 1k21 s TYR 94 CO 0.08 -5.27 1.09 1.21 -1.34 0.00 0.00 175.55 171.31 1k21 s ASN 95 N 3.56 7.16 0.13 4.32 3.84 0.55 -4.83 114.94 129.67 1k21 s ASN 95 Ca 0.85 -3.28 0.27 0.00 0.21 0.00 0.00 52.86 50.91 1k21 s ASN 95 Cb -0.45 -2.24 0.97 0.00 -0.55 0.00 0.00 41.25 38.98 1k21 s ASN 95 CO 0.39 -0.43 1.83 -2.67 -2.79 0.00 0.00 177.10 173.43 1k21 n TRP 96 N 3.48 0.59 0.06 0.43 4.27 -1.26 -0.29 117.44 124.72 1k21 n TRP 96 Ca 0.24 0.17 -0.11 0.00 -3.89 0.00 0.00 57.50 53.91 1k21 n TRP 96 Cb 0.42 -0.78 0.00 0.00 -1.36 0.00 0.00 31.31 29.59 1k21 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1k21 h ARG 97 N 0.00 0.38 0.00 -2.67 3.08 -1.99 -3.44 114.38 109.74 1k21 h ARG 97 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1k21 h ARG 97 Cb 0.65 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1k21 h ARG 97 CO 0.00 1.00 -0.13 -1.91 -1.07 0.00 0.00 179.97 177.86 1k21 n GLU 97 N -3.79 0.07 -0.33 0.04 2.13 -1.24 -4.99 120.64 112.52 1k21 n GLU 97 Ca -0.05 0.03 0.01 0.00 0.66 0.00 0.00 57.16 57.81 1k21 n GLU 97 Cb 0.75 -0.59 0.01 0.00 0.27 0.00 0.00 31.44 31.88 1k21 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1k21 n ASN 98 N -3.56 0.23 -2.12 4.31 0.23 -1.23 -4.95 115.26 108.17 1k21 n ASN 98 Ca -0.02 -1.83 -0.18 0.00 -0.53 0.00 0.00 54.58 52.03 1k21 n ASN 98 Cb 0.07 -0.16 -0.00 0.00 -2.08 0.00 0.00 39.78 37.61 1k21 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1k21 n LEU 99 N -0.12 -1.94 -4.77 -4.53 4.32 0.60 -4.94 117.00 105.62 1k21 n LEU 99 Ca 0.01 -0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.53 1k21 n LEU 99 Cb 0.63 -2.58 -0.01 0.00 -1.62 0.00 0.00 43.42 39.85 1k21 n LEU 99 CO 0.00 -0.11 1.13 -0.62 -1.22 0.00 0.00 177.39 176.56 1k21 s ASP 100 N -2.30 6.45 -1.25 -1.43 3.68 -1.20 -2.46 116.67 118.14 1k21 s ASP 100 Ca 0.05 2.94 -0.02 0.00 2.13 0.00 0.00 52.55 57.65 1k21 s ASP 100 Cb -0.02 -2.66 0.00 0.00 -1.45 0.00 0.00 42.92 38.80 1k21 s ASP 100 CO 0.06 -0.81 0.98 0.54 0.13 0.00 0.00 175.17 176.07 1k21 n ARG 101 N 0.95 -6.52 -2.47 4.34 1.74 -1.26 -0.33 116.66 113.11 1k21 n ARG 101 Ca 0.02 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.49 1k21 n ARG 101 Cb 0.39 -5.75 -0.01 0.00 -1.02 0.00 0.00 32.46 26.08 1k21 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1k21 n ASP 102 N -3.09 4.66 -3.74 0.55 2.03 -1.03 -4.32 116.55 111.61 1k21 n ASP 102 Ca -0.24 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 1k21 n ASP 102 Cb 0.65 -1.74 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1k21 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k21 s ILE 103 N 4.89 0.03 0.04 5.18 2.07 -1.26 -3.71 121.20 128.45 1k21 s ILE 103 Ca 0.55 -0.28 -0.17 0.00 -1.41 0.00 0.00 60.65 59.34 1k21 s ILE 103 Cb 0.04 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.07 1k21 s ILE 103 CO 0.08 -0.15 0.39 0.00 -1.91 0.00 0.00 174.94 173.34 1k21 s ALA 104 N -0.75 -0.94 0.10 1.50 0.00 0.10 -2.46 121.76 119.31 1k21 s ALA 104 Ca -0.08 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.24 1k21 s ALA 104 Cb -0.04 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1k21 s ALA 104 CO 0.03 -0.43 -0.25 -0.51 0.00 0.00 0.00 175.76 174.60 1k21 s LEU 105 N -1.94 2.35 -0.08 0.00 1.43 0.87 -1.47 118.68 119.84 1k21 s LEU 105 Ca -0.06 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1k21 s LEU 105 Cb -0.01 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1k21 s LEU 105 CO -0.02 0.20 -0.04 -0.04 0.23 0.00 0.00 176.35 176.68 1k21 s MET 106 N -1.82 1.08 -0.15 1.70 -1.94 0.08 -0.03 119.30 118.23 1k21 s MET 106 Ca 0.14 -0.10 -0.16 0.00 -1.71 0.00 0.00 55.69 53.85 1k21 s MET 106 Cb -0.10 -1.22 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1k21 s MET 106 CO 0.05 -0.23 0.40 0.21 -0.01 0.00 0.00 175.02 175.45 1k21 s LYS 107 N 1.61 4.29 0.44 2.03 2.20 -0.09 -1.08 119.74 129.14 1k21 s LYS 107 Ca 0.01 0.29 -0.20 0.00 -0.36 0.00 0.00 55.97 55.71 1k21 s LYS 107 Cb -0.13 -3.45 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1k21 s LYS 107 CO -0.05 0.15 0.95 -0.51 -0.36 0.00 0.00 175.35 175.53 1k21 s LEU 108 N 0.68 3.88 0.21 5.43 1.43 0.27 -0.08 118.68 130.51 1k21 s LEU 108 Ca 0.22 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 1k21 s LEU 108 Cb -0.14 -4.51 0.16 0.00 0.03 0.00 0.00 46.19 41.72 1k21 s LEU 108 CO 0.08 -0.40 1.73 0.11 0.23 0.00 0.00 176.35 178.10 1k21 h LYS 109 N 1.73 1.10 -5.16 1.70 1.57 -1.55 -3.41 116.57 112.54 1k21 h LYS 109 Ca -0.49 -0.26 -0.38 0.00 -1.87 0.00 0.00 60.65 57.65 1k21 h LYS 109 Cb 1.18 -0.14 -0.22 0.00 0.08 0.00 0.00 32.23 33.13 1k21 h LYS 109 CO 0.61 0.97 -0.77 0.15 -0.57 0.00 0.00 179.45 179.85 1k21 s LYS 110 N -5.27 0.75 0.43 3.15 1.02 -1.26 -4.99 119.74 113.57 1k21 s LYS 110 Ca -0.12 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 54.73 1k21 s LYS 110 Cb 0.15 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.67 1k21 s LYS 110 CO 0.84 0.15 1.28 -1.25 -0.92 0.00 0.00 175.35 175.46 1k21 s PRO 111 N -1.67 3.83 0.22 -1.68 0.04 -1.26 -4.85 135.00 129.63 1k21 s PRO 111 Ca -0.04 2.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1k21 s PRO 111 Cb -0.10 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 1k21 s PRO 111 CO 0.02 -0.59 0.60 0.54 0.04 0.00 0.00 177.00 177.61 1k21 s VAL 112 N -1.32 4.82 -0.09 -0.36 0.11 0.36 -5.01 120.40 118.92 1k21 s VAL 112 Ca 0.60 0.76 -0.24 0.00 -2.93 0.00 0.00 61.98 60.17 1k21 s VAL 112 Cb -0.37 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1k21 s VAL 112 CO 0.46 0.04 0.75 0.00 -3.33 0.00 0.00 175.10 173.02 1k21 s ALA 113 N -1.70 3.36 0.59 1.54 0.00 -1.26 -4.81 121.76 119.48 1k21 s ALA 113 Ca 0.45 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1k21 s ALA 113 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1k21 s ALA 113 CO 0.20 -0.24 1.07 -0.06 0.00 0.00 0.00 175.76 176.72 1k21 s PHE 114 N 1.13 2.93 0.00 0.00 0.08 -1.26 -4.86 117.98 116.00 1k21 s PHE 114 Ca 0.39 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.96 1k21 s PHE 114 Cb -0.18 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1k21 s PHE 114 CO 0.18 -1.18 0.00 -1.13 -0.10 0.00 0.00 175.22 172.98 1k21 n SER 115 N -1.94 0.00 0.26 1.36 3.41 -0.38 -4.93 113.62 111.40 1k21 n SER 115 Ca 0.09 -0.87 0.12 0.00 -0.26 0.00 0.00 58.87 57.95 1k21 n SER 115 Cb 0.53 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.20 1k21 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1k21 h ASP 116 N 0.00 0.00 -0.01 4.04 3.45 -1.98 -3.01 116.42 118.91 1k21 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1k21 h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1k21 h ASP 116 CO 0.00 0.11 -0.40 -1.22 -1.57 0.00 0.00 179.24 176.17 1k21 n TYR 117 N -3.69 0.00 -3.94 4.55 4.02 -1.26 -4.77 117.16 112.07 1k21 n TYR 117 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 1k21 n TYR 117 Cb 0.23 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.39 1k21 n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1k21 s ILE 118 N -1.86 1.42 -0.23 -0.72 1.01 -1.14 -4.14 121.20 115.54 1k21 s ILE 118 Ca 0.09 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 1k21 s ILE 118 Cb 0.10 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 41.02 1k21 s ILE 118 CO 0.40 0.04 0.60 -2.28 0.00 0.00 0.00 174.94 173.70 1k21 s HIS 119 N 1.48 -0.70 0.44 3.97 2.46 -0.34 -1.25 115.29 121.34 1k21 s HIS 119 Ca -0.03 1.65 -0.22 0.00 0.47 0.00 0.00 55.06 56.93 1k21 s HIS 119 Cb -0.17 0.26 -0.09 0.00 -0.13 0.00 0.00 32.58 32.46 1k21 s HIS 119 CO -0.07 -0.34 1.05 -1.25 -2.47 0.00 0.00 174.74 171.65 1k21 s PRO 120 N 0.49 3.99 0.23 2.88 0.04 -1.26 -2.17 135.00 139.20 1k21 s PRO 120 Ca -0.01 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1k21 s PRO 120 Cb -0.04 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1k21 s PRO 120 CO -0.02 -0.28 0.44 0.54 0.04 0.00 0.00 177.00 177.72 1k21 s VAL 121 N -1.81 5.15 0.45 -0.36 0.11 -0.66 -4.92 120.40 118.36 1k21 s VAL 121 Ca 0.62 -0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 1k21 s VAL 121 Cb -0.19 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.84 1k21 s VAL 121 CO 0.24 -0.24 0.88 0.00 -3.33 0.00 0.00 175.10 172.65 1k21 s LEU 123 N -3.83 3.65 0.51 0.00 1.43 -1.26 -0.76 118.68 118.43 1k21 s LEU 123 Ca 0.56 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.58 1k21 s LEU 123 Cb -0.10 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1k21 s LEU 123 CO 0.29 0.32 1.14 -2.16 0.23 0.00 0.00 176.35 176.17 1k21 s PRO 124 N -0.51 3.50 0.45 1.29 0.04 -1.26 -4.95 135.00 133.56 1k21 s PRO 124 Ca 0.09 1.67 0.08 0.00 0.04 0.00 0.00 61.00 62.89 1k21 s PRO 124 Cb -0.12 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1k21 s PRO 124 CO 0.02 -0.74 0.61 0.16 0.04 0.00 0.00 177.00 177.09 1k21 s ASP 125 N -1.62 5.52 0.23 6.66 1.47 -1.26 -4.84 116.67 122.82 1k21 s ASP 125 Ca 0.70 -0.52 -0.07 0.00 1.18 0.00 0.00 52.55 53.83 1k21 s ASP 125 Cb -0.26 -0.45 0.37 0.00 -0.34 0.00 0.00 42.92 42.25 1k21 s ASP 125 CO 0.30 -0.88 1.72 -0.09 0.68 0.00 0.00 175.17 176.89 1k21 h ARG 126 N 0.56 0.34 -0.45 2.11 2.43 -1.98 -2.35 114.38 115.05 1k21 h ARG 126 Ca -0.38 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 1k21 h ARG 126 Cb 1.28 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1k21 h ARG 126 CO 0.45 0.23 -0.19 1.49 -1.51 0.00 0.00 179.97 180.43 1k21 h GLU 127 N 0.36 0.89 -0.08 0.20 4.81 -2.04 -0.52 114.58 118.19 1k21 h GLU 127 Ca 0.36 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1k21 h GLU 127 Cb 0.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1k21 h GLU 127 CO -0.40 1.00 0.00 2.41 -0.73 0.00 0.00 179.01 181.29 1k21 n THR 128 N -4.12 0.00 0.00 0.32 -1.04 -0.88 -1.09 114.28 107.47 1k21 n THR 128 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1k21 n THR 128 Cb 0.43 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1k21 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k21 n ALA 129 N 0.40 0.00 0.09 2.41 0.00 -0.21 -1.45 120.51 121.75 1k21 n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1k21 n ALA 129 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.48 1k21 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k21 h SER 129 N 0.00 0.02 0.13 0.00 4.64 -1.37 -3.37 113.55 113.60 1k21 h SER 129 Ca 0.00 -0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 1k21 h SER 129 Cb 0.00 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.02 1k21 h SER 129 CO 0.00 0.84 -2.19 0.18 -0.87 0.00 0.00 176.83 174.79 1k21 n LEU 129 N -3.57 0.21 -4.21 5.97 4.77 -0.53 -4.70 117.00 114.95 1k21 n LEU 129 Ca -0.01 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1k21 n LEU 129 Cb 0.79 0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 42.27 1k21 n LEU 129 CO 0.45 0.44 2.25 0.18 -1.33 0.00 0.00 177.39 179.38 1k21 n LEU 130 N -2.79 5.61 -4.08 2.23 4.77 -1.26 -4.79 117.00 116.68 1k21 n LEU 130 Ca -0.27 -3.94 -0.19 0.00 -0.03 0.00 0.00 56.01 51.57 1k21 n LEU 130 Cb 1.10 -1.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1k21 n LEU 130 CO 0.44 0.43 -0.45 -1.10 -1.33 0.00 0.00 177.39 175.38 1k21 s GLN 131 N 3.94 0.83 0.22 3.23 -0.21 -1.26 -4.94 119.66 121.46 1k21 s GLN 131 Ca 0.52 -0.55 -0.32 0.00 0.02 0.00 0.00 55.36 55.03 1k21 s GLN 131 Cb 0.08 -0.79 -0.14 0.00 1.00 0.00 0.00 33.01 33.16 1k21 s GLN 131 CO 0.02 0.20 1.38 0.00 -2.12 0.00 0.00 175.29 174.77 1k21 n ALA 132 N 2.32 0.80 0.00 6.09 0.00 -1.26 -1.18 120.51 127.28 1k21 n ALA 132 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1k21 n ALA 132 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1k21 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k21 n GLY 133 N 2.26 3.05 3.72 0.00 0.00 -0.07 -4.94 105.19 109.21 1k21 n GLY 133 Ca 0.13 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1k21 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k21 s TYR 134 N -1.92 3.16 0.05 1.61 1.51 -0.33 -4.58 117.35 116.86 1k21 s TYR 134 Ca 0.00 0.90 -0.11 0.00 -1.01 0.00 0.00 57.07 56.85 1k21 s TYR 134 Cb 0.00 -3.76 -0.06 0.00 -0.11 0.00 0.00 41.96 38.03 1k21 s TYR 134 CO 0.00 -2.66 0.39 0.15 -1.11 0.00 0.00 175.55 172.32 1k21 s LYS 135 N 0.73 3.79 0.48 -0.62 1.02 -1.26 -0.67 119.74 123.21 1k21 s LYS 135 Ca 0.64 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.88 1k21 s LYS 135 Cb -0.40 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1k21 s LYS 135 CO 0.33 0.60 0.02 0.20 -0.92 0.00 0.00 175.35 175.59 1k21 s GLY 136 N -1.56 2.90 -0.07 -3.33 0.00 0.34 -4.84 107.32 100.77 1k21 s GLY 136 Ca 0.30 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.31 1k21 s GLY 136 CO 0.16 -2.14 -0.16 -1.60 0.00 0.00 0.00 173.10 169.36 1k21 s ARG 137 N -3.84 2.12 -0.06 2.90 3.52 0.22 -0.82 118.95 122.98 1k21 s ARG 137 Ca 0.12 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.19 1k21 s ARG 137 Cb 0.03 -1.69 -0.02 0.00 -1.56 0.00 0.00 34.95 31.71 1k21 s ARG 137 CO 0.06 0.10 -0.21 0.08 -0.81 0.00 0.00 175.30 174.53 1k21 s VAL 138 N 0.48 2.43 0.07 7.11 1.01 -0.22 -0.44 120.40 130.84 1k21 s VAL 138 Ca -0.14 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1k21 s VAL 138 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1k21 s VAL 138 CO 0.05 0.57 -0.13 0.42 0.00 0.00 0.00 175.10 176.01 1k21 s THR 139 N -0.25 1.05 0.00 3.92 -4.23 -1.23 -1.85 115.64 113.05 1k21 s THR 139 Ca -0.00 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1k21 s THR 139 Cb -0.13 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1k21 s THR 139 CO 0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1k21 n GLY 140 N 1.28 0.35 1.12 3.99 0.00 -0.95 -4.46 105.19 106.53 1k21 n GLY 140 Ca -0.21 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.03 1k21 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k21 n TRP 141 N -0.07 1.18 -1.59 1.61 8.01 -1.26 -1.77 117.44 123.55 1k21 n TRP 141 Ca 0.00 -0.82 -0.30 0.00 -1.31 0.00 0.00 57.50 55.07 1k21 n TRP 141 Cb 0.00 -0.34 0.22 0.00 -2.01 0.00 0.00 31.31 29.18 1k21 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1k21 s GLY 142 N -1.60 1.72 0.27 6.99 0.00 -1.26 -4.56 107.32 108.88 1k21 s GLY 142 Ca 0.44 -1.19 -0.27 0.00 0.00 0.00 0.00 44.72 43.70 1k21 s GLY 142 CO 0.11 -0.33 0.80 0.70 0.00 0.00 0.00 173.10 174.39 1k21 n ASN 143 N -4.24 0.26 0.04 1.64 4.13 0.32 -2.44 115.26 114.97 1k21 n ASN 143 Ca 0.16 1.14 0.12 0.00 1.68 0.00 0.00 54.58 57.68 1k21 n ASN 143 Cb 0.59 -1.16 0.26 0.00 -1.54 0.00 0.00 39.78 37.93 1k21 n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1k21 n LEU 144 N 1.48 0.60 -3.78 3.41 4.77 -0.49 -0.48 117.00 122.51 1k21 n LEU 144 Ca 0.12 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1k21 n LEU 144 Cb 0.30 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1k21 n LEU 144 CO 0.58 -0.02 -0.00 -0.54 -1.33 0.00 0.00 177.39 176.08 1k21 s LYS 145 N -3.10 0.76 0.25 3.23 1.02 -1.26 -4.23 119.74 116.40 1k21 s LYS 145 Ca 0.09 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 1k21 s LYS 145 Cb 0.15 0.33 0.38 0.00 -0.52 0.00 0.00 37.83 38.17 1k21 s LYS 145 CO 0.68 -0.23 1.83 1.49 -0.92 0.00 0.00 175.35 178.20 1k21 h GLU 146 N 3.38 0.84 -1.40 1.68 4.81 -1.90 -3.48 114.58 118.52 1k21 h GLU 146 Ca -0.31 -0.05 -0.45 0.00 -0.13 0.00 0.00 59.36 58.42 1k21 h GLU 146 Cb 1.19 -0.19 -0.41 0.00 0.63 0.00 0.00 28.75 29.98 1k21 h GLU 146 CO 0.45 0.56 -1.06 2.41 -0.73 0.00 0.00 179.01 180.64 1k21 n THR 147 N -4.69 1.22 0.16 0.32 -1.04 -1.26 -4.97 114.28 104.02 1k21 n THR 147 Ca 0.13 -3.94 0.00 0.00 -2.04 0.00 0.00 64.05 58.20 1k21 n THR 147 Cb 0.25 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1k21 n THR 147 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k21 n GLY 150 N -0.10 -0.98 3.64 3.41 0.00 -1.26 -5.11 105.19 104.79 1k21 n GLY 150 Ca 0.20 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1k21 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k21 s GLN 151 N -1.81 2.74 0.54 1.61 -1.52 -1.26 -1.40 119.66 118.56 1k21 s GLN 151 Ca 0.00 -0.60 -0.13 0.00 -1.95 0.00 0.00 55.36 52.68 1k21 s GLN 151 Cb 0.00 -2.62 -0.06 0.00 -0.22 0.00 0.00 33.01 30.11 1k21 s GLN 151 CO 0.00 0.64 0.97 -1.25 -0.25 0.00 0.00 175.29 175.39 1k21 s PRO 152 N -1.28 3.76 0.04 2.91 0.04 -1.26 -4.95 135.00 134.25 1k21 s PRO 152 Ca 0.17 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1k21 s PRO 152 Cb -0.11 -2.16 -0.33 0.00 0.04 0.00 0.00 34.50 31.94 1k21 s PRO 152 CO 0.07 -0.36 1.03 1.03 0.04 0.00 0.00 177.00 178.80 1k21 h SER 153 N 0.39 0.70 -4.27 6.66 0.87 -1.97 -3.43 113.55 112.51 1k21 h SER 153 Ca -0.46 -0.77 -0.35 0.00 -1.23 0.00 0.00 61.79 58.99 1k21 h SER 153 Cb 1.19 -0.23 -0.14 0.00 -0.44 0.00 0.00 62.40 62.78 1k21 h SER 153 CO 0.62 1.60 -0.64 0.68 -0.53 0.00 0.00 176.83 178.56 1k21 s VAL 154 N -2.62 0.74 0.17 2.23 -7.23 -1.26 -1.29 120.40 111.15 1k21 s VAL 154 Ca -0.08 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 57.76 1k21 s VAL 154 Cb 0.05 -2.45 -0.16 0.00 0.56 0.00 0.00 36.38 34.39 1k21 s VAL 154 CO 0.92 -0.20 1.17 -0.11 -0.31 0.00 0.00 175.10 176.57 1k21 n LEU 155 N -0.41 1.54 -4.81 1.32 7.94 0.82 -4.81 117.00 118.59 1k21 n LEU 155 Ca -0.03 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 55.73 1k21 n LEU 155 Cb 0.65 -1.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.33 1k21 n LEU 155 CO 0.37 -1.29 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.03 1k21 s GLN 156 N -0.36 2.96 0.01 1.96 -1.52 -0.73 -0.52 119.66 121.46 1k21 s GLN 156 Ca 0.73 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 1k21 s GLN 156 Cb -0.85 -2.73 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 1k21 s GLN 156 CO 0.52 0.53 -0.02 0.54 -0.25 0.00 0.00 175.29 176.61 1k21 s VAL 157 N -1.57 0.08 -0.17 1.09 0.11 0.89 -2.23 120.40 118.59 1k21 s VAL 157 Ca 0.31 -0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 58.75 1k21 s VAL 157 Cb -0.11 -0.16 0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1k21 s VAL 157 CO 0.23 -0.25 0.45 0.54 -3.33 0.00 0.00 175.10 172.75 1k21 s VAL 158 N -0.74 -0.01 -0.16 2.04 0.11 -0.77 -0.66 120.40 120.21 1k21 s VAL 158 Ca -0.08 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1k21 s VAL 158 Cb -0.05 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1k21 s VAL 158 CO -0.00 0.01 0.20 0.20 -3.33 0.00 0.00 175.10 172.18 1k21 s ASN 159 N 0.65 6.36 0.00 3.54 0.01 -1.26 -1.06 114.94 123.18 1k21 s ASN 159 Ca -0.03 0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1k21 s ASN 159 Cb -0.05 -2.12 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 1k21 s ASN 159 CO -0.04 0.21 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.97 1k21 s LEU 160 N 0.01 2.03 0.26 0.60 1.43 0.00 -4.94 118.68 118.08 1k21 s LEU 160 Ca 0.13 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 1k21 s LEU 160 Cb -0.12 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 1k21 s LEU 160 CO 0.02 0.01 0.92 -2.16 0.23 0.00 0.00 176.35 175.37 1k21 s PRO 161 N -0.22 4.72 0.36 1.29 0.04 -1.26 -0.50 135.00 139.43 1k21 s PRO 161 Ca -0.00 1.39 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 1k21 s PRO 161 Cb -0.02 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.32 1k21 s PRO 161 CO -0.00 0.44 1.22 0.42 0.04 0.00 0.00 177.00 179.12 1k21 s ILE 162 N -1.33 2.98 0.05 0.56 1.01 0.16 -1.08 121.20 123.54 1k21 s ILE 162 Ca 0.44 0.90 0.03 0.00 0.00 0.00 0.00 60.65 62.02 1k21 s ILE 162 Cb -0.23 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1k21 s ILE 162 CO 0.28 0.15 -0.00 -0.69 0.00 0.00 0.00 174.94 174.68 1k21 s VAL 163 N -1.27 4.08 0.34 2.92 1.01 -0.34 -0.89 120.40 126.25 1k21 s VAL 163 Ca 0.53 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1k21 s VAL 163 Cb -0.35 -2.88 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 1k21 s VAL 163 CO 0.45 0.24 1.36 -0.62 0.00 0.00 0.00 175.10 176.54 1k21 n GLU 164 N 0.97 2.30 -0.24 2.72 4.71 -1.26 -4.61 120.64 125.23 1k21 n GLU 164 Ca -0.12 0.81 0.03 0.00 -0.01 0.00 0.00 57.16 57.86 1k21 n GLU 164 Cb 0.52 -2.44 0.15 0.00 -1.01 0.00 0.00 31.44 28.66 1k21 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1k21 h ARG 165 N 2.84 0.44 -0.94 3.49 2.43 -1.98 -1.48 114.38 119.19 1k21 h ARG 165 Ca -0.47 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.73 1k21 h ARG 165 Cb 1.27 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1k21 h ARG 165 CO 0.64 0.29 0.60 -1.35 -1.51 0.00 0.00 179.97 178.64 1k21 h PRO 166 N 0.45 1.07 -0.50 0.20 0.11 -1.99 -0.73 132.00 130.60 1k21 h PRO 166 Ca 0.37 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.29 1k21 h PRO 166 Cb 0.51 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1k21 h PRO 166 CO -0.36 0.71 -0.19 0.28 -0.21 0.00 0.00 178.00 178.23 1k21 h VAL 167 N 1.10 1.27 -0.09 3.15 2.07 -1.67 -1.34 116.25 120.74 1k21 h VAL 167 Ca 0.40 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1k21 h VAL 167 Cb 0.14 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1k21 h VAL 167 CO -0.17 0.47 0.05 0.00 0.02 0.00 0.00 177.57 177.95 1k21 h LYS 169 N 0.09 0.60 0.00 0.00 3.64 -1.02 -2.45 116.57 117.44 1k21 h LYS 169 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1k21 h LYS 169 Cb 0.02 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1k21 h LYS 169 CO -0.01 0.40 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 1k21 n ASP 170 N -4.80 0.00 -0.38 4.20 10.43 -0.52 -2.98 116.55 122.49 1k21 n ASP 170 Ca 0.05 -0.61 0.11 0.00 2.57 0.00 0.00 54.79 56.92 1k21 n ASP 170 Cb 0.11 -0.07 0.07 0.00 1.84 0.00 0.00 41.12 43.07 1k21 n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1k21 n SER 171 N -1.07 1.69 -3.97 -2.24 3.41 -0.92 -4.99 113.62 105.53 1k21 n SER 171 Ca 0.17 -1.31 -0.09 0.00 -0.26 0.00 0.00 58.87 57.38 1k21 n SER 171 Cb 0.11 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1k21 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1k21 s THR 172 N -2.55 0.08 -0.74 6.66 -1.32 -1.16 -4.83 115.64 111.79 1k21 s THR 172 Ca 0.18 -1.42 0.22 0.00 -1.21 0.00 0.00 61.69 59.47 1k21 s THR 172 Cb 0.18 -1.81 -0.16 0.00 -1.51 0.00 0.00 72.50 69.20 1k21 s THR 172 CO 0.59 -0.35 0.98 0.54 -2.21 0.00 0.00 174.62 174.18 1k21 n ARG 173 N -0.19 0.19 -2.29 7.08 1.74 -1.26 -4.92 116.66 117.00 1k21 n ARG 173 Ca -0.08 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 1k21 n ARG 173 Cb 0.63 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1k21 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k21 s ILE 174 N -3.13 3.11 -0.07 0.55 -1.09 -1.26 -4.97 121.20 114.34 1k21 s ILE 174 Ca 0.05 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 1k21 s ILE 174 Cb 0.15 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1k21 s ILE 174 CO 0.82 0.21 1.21 -0.60 -1.23 0.00 0.00 174.94 175.35 1k21 s ARG 175 N -1.81 4.33 0.11 2.79 3.52 -1.26 -5.01 118.95 121.62 1k21 s ARG 175 Ca 0.50 1.67 -0.09 0.00 -0.13 0.00 0.00 55.73 57.67 1k21 s ARG 175 Cb -0.34 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 1k21 s ARG 175 CO 0.45 -0.48 0.43 0.42 -0.81 0.00 0.00 175.30 175.30 1k21 s ILE 176 N 2.40 5.06 0.42 4.11 -1.09 -1.26 -4.87 121.20 125.96 1k21 s ILE 176 Ca 0.56 0.42 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 1k21 s ILE 176 Cb -0.24 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1k21 s ILE 176 CO 0.21 0.20 0.04 0.42 -1.23 0.00 0.00 174.94 174.57 1k21 s THR 177 N -1.50 1.34 -0.90 2.92 -4.23 -1.26 -5.02 115.64 106.99 1k21 s THR 177 Ca 0.37 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1k21 s THR 177 Cb -0.13 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 71.26 1k21 s THR 177 CO 0.20 0.00 1.55 0.47 -0.54 0.00 0.00 174.62 176.30 1k21 n ASP 178 N -1.05 0.13 -0.92 3.99 8.00 -1.26 -2.36 116.55 123.09 1k21 n ASP 178 Ca -0.09 0.53 0.05 0.00 0.71 0.00 0.00 54.79 56.00 1k21 n ASP 178 Cb 0.67 -0.56 0.19 0.00 -0.02 0.00 0.00 41.12 41.40 1k21 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k21 n ASN 179 N -1.64 2.64 -4.18 -2.24 3.02 -1.26 -4.86 115.26 106.73 1k21 n ASN 179 Ca 0.04 -2.18 -0.11 0.00 -0.03 0.00 0.00 54.58 52.30 1k21 n ASN 179 Cb 0.20 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1k21 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k21 s MET 180 N -1.64 0.91 0.02 3.52 -1.94 -0.99 -0.41 119.30 118.77 1k21 s MET 180 Ca 0.28 -1.40 -0.20 0.00 -1.71 0.00 0.00 55.69 52.65 1k21 s MET 180 Cb 0.17 -0.13 0.04 0.00 2.01 0.00 0.00 34.83 36.92 1k21 s MET 180 CO 0.15 -0.09 0.46 -0.59 -0.01 0.00 0.00 175.02 174.93 1k21 s PHE 181 N -3.72 -0.35 0.22 -0.03 -0.12 -0.84 -4.80 117.98 108.35 1k21 s PHE 181 Ca 0.17 0.42 0.11 0.00 -0.05 0.00 0.00 56.93 57.58 1k21 s PHE 181 Cb 0.06 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 1k21 s PHE 181 CO -0.02 -0.56 -0.18 0.00 -0.05 0.00 0.00 175.22 174.41 1k21 s ALA 183 N -1.99 0.13 0.00 0.00 0.00 -0.35 -1.20 121.76 118.35 1k21 s ALA 183 Ca 0.25 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1k21 s ALA 183 Cb -0.07 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1k21 s ALA 183 CO 0.13 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1k21 n GLY 184 N 0.52 4.43 3.84 0.00 0.00 -0.24 -2.04 105.19 111.71 1k21 n GLY 184 Ca -0.17 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1k21 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k21 s TYR 184 N -2.00 3.45 0.42 1.61 1.51 -1.26 -4.60 117.35 116.48 1k21 s TYR 184 Ca 0.00 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.50 1k21 s TYR 184 Cb 0.00 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1k21 s TYR 184 CO 0.00 -0.35 0.68 0.15 -1.11 0.00 0.00 175.55 174.92 1k21 s LYS 185 N -4.02 3.52 0.28 -0.62 1.02 -1.26 -4.82 119.74 113.83 1k21 s LYS 185 Ca 0.59 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.55 1k21 s LYS 185 Cb -0.10 -2.50 0.57 0.00 -0.52 0.00 0.00 37.83 35.28 1k21 s LYS 185 CO 0.30 -0.04 1.80 -1.35 -0.92 0.00 0.00 175.35 175.14 1k21 h PRO 186 N 0.48 0.80 0.00 -1.68 0.11 -1.96 -0.99 132.00 128.77 1k21 h PRO 186 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1k21 h PRO 186 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1k21 h PRO 186 CO 0.62 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1k21 n ASP 186 N -4.73 0.00 -0.11 -2.05 5.75 -1.26 -2.72 116.55 111.43 1k21 n ASP 186 Ca 0.19 -0.25 0.12 0.00 -0.01 0.00 0.00 54.79 54.84 1k21 n ASP 186 Cb 0.42 -0.21 0.29 0.00 -1.03 0.00 0.00 41.12 40.58 1k21 n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k21 n GLU 186 N -1.21 0.36 0.00 0.11 1.02 -0.37 -4.98 120.64 115.57 1k21 n GLU 186 Ca 0.13 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1k21 n GLU 186 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1k21 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k21 n GLY 186 N 1.43 1.44 3.46 0.62 0.00 -1.10 -4.94 105.19 106.09 1k21 n GLY 186 Ca 0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1k21 n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k21 n LYS 186 N 0.00 0.09 -3.14 1.61 5.02 -1.26 -5.03 118.16 115.46 1k21 n LYS 186 Ca 0.00 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1k21 n LYS 186 Cb 0.00 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1k21 n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k21 n ARG 187 N -1.19 0.93 0.00 1.97 1.74 -1.26 -4.68 116.66 114.18 1k21 n ARG 187 Ca 0.09 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 1k21 n ARG 187 Cb 0.51 0.77 0.00 0.00 -1.02 0.00 0.00 32.46 32.72 1k21 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k21 n GLY 188 N 1.22 4.40 3.60 -0.13 0.00 -1.26 -4.90 105.19 108.12 1k21 n GLY 188 Ca -0.04 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 1k21 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k21 s ASP 189 N 0.00 -0.14 0.71 1.61 3.68 -1.09 -4.65 116.67 116.78 1k21 s ASP 189 Ca 0.00 -0.03 -0.07 0.00 2.13 0.00 0.00 52.55 54.58 1k21 s ASP 189 Cb 0.00 0.17 0.06 0.00 -1.45 0.00 0.00 42.92 41.70 1k21 s ASP 189 CO 0.00 -0.28 1.03 0.00 0.13 0.00 0.00 175.17 176.04 1k21 s ALA 190 N -2.49 3.10 0.16 3.66 0.00 -1.26 -0.79 121.76 124.14 1k21 s ALA 190 Ca 0.10 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1k21 s ALA 190 Cb -0.00 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1k21 s ALA 190 CO -0.05 -1.29 0.24 0.00 0.00 0.00 0.00 175.76 174.66 1k21 n GLU 192 N -0.26 1.40 0.00 0.00 4.07 -1.26 -1.01 120.64 123.58 1k21 n GLU 192 Ca -0.00 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 1k21 n GLU 192 Cb 0.27 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 1k21 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k21 n GLY 193 N 2.30 2.69 0.00 8.31 0.00 -1.26 -0.52 105.19 116.71 1k21 n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1k21 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k21 n ASP 194 N 0.00 0.45 -4.55 1.61 10.43 -0.18 -4.02 116.55 120.30 1k21 n ASP 194 Ca 0.00 -0.17 -0.48 0.00 2.57 0.00 0.00 54.79 56.72 1k21 n ASP 194 Cb 0.00 0.17 -0.03 0.00 1.84 0.00 0.00 41.12 43.10 1k21 n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1k21 n SER 195 N -1.51 0.85 0.00 -2.24 7.64 -1.26 -1.72 113.62 115.38 1k21 n SER 195 Ca 0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1k21 n SER 195 Cb 0.34 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1k21 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k21 n GLY 196 N 1.73 2.40 3.71 0.23 0.00 -0.61 0.03 105.19 112.68 1k21 n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1k21 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k21 s GLY 197 N -1.89 1.59 0.17 -0.02 0.00 -0.70 -3.26 107.32 103.21 1k21 s GLY 197 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.36 1k21 s GLY 197 CO 0.00 0.32 0.57 2.56 0.00 0.00 0.00 173.10 176.54 1k21 s PRO 198 N -4.98 3.98 -0.35 2.90 0.04 -1.26 -1.01 135.00 134.32 1k21 s PRO 198 Ca 0.64 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.14 1k21 s PRO 198 Cb -0.18 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.55 1k21 s PRO 198 CO 0.57 0.44 0.10 0.12 0.04 0.00 0.00 177.00 178.28 1k21 s PHE 199 N -1.52 3.35 0.28 0.56 5.36 -0.24 -3.50 117.98 122.26 1k21 s PHE 199 Ca 0.40 -1.85 0.09 0.00 -0.96 0.00 0.00 56.93 54.61 1k21 s PHE 199 Cb -0.15 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1k21 s PHE 199 CO 0.19 -0.83 0.02 0.14 -1.46 0.00 0.00 175.22 173.28 1k21 s VAL 200 N 1.28 3.32 0.01 3.12 -7.23 0.42 -0.83 120.40 120.48 1k21 s VAL 200 Ca -0.00 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1k21 s VAL 200 Cb -0.21 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 1k21 s VAL 200 CO -0.00 -0.34 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.40 1k21 s MET 201 N -3.70 0.14 -0.34 4.82 -1.94 -0.21 0.69 119.30 118.75 1k21 s MET 201 Ca 0.33 -0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 53.92 1k21 s MET 201 Cb -0.05 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.80 1k21 s MET 201 CO 0.20 -0.02 0.23 0.21 -0.01 0.00 0.00 175.02 175.64 1k21 s LYS 202 N -0.61 3.49 0.15 2.03 2.20 -1.26 -0.51 119.74 125.23 1k21 s LYS 202 Ca -0.07 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.58 1k21 s LYS 202 Cb -0.04 -3.79 -0.11 0.00 -1.51 0.00 0.00 37.83 32.38 1k21 s LYS 202 CO -0.00 -0.44 1.76 0.45 -0.36 0.00 0.00 175.35 176.76 1k21 s SER 203 N 1.72 6.43 0.00 1.43 0.15 -0.12 -4.86 113.70 118.45 1k21 s SER 203 Ca 0.06 2.77 0.30 0.00 0.70 0.00 0.00 55.95 59.78 1k21 s SER 203 Cb -0.17 -2.58 1.44 0.00 -1.71 0.00 0.00 66.02 63.00 1k21 s SER 203 CO 0.10 -0.97 2.02 -0.81 1.20 0.00 0.00 173.24 174.78 1k21 n PRO 204 N 4.96 0.32 -0.06 5.44 -0.04 -1.26 -0.59 135.00 143.76 1k21 n PRO 204 Ca 0.17 -0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 1k21 n PRO 204 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 1k21 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1k21 h PHE 204 N 0.01 0.12 0.00 0.54 0.04 -1.97 -3.40 116.94 112.28 1k21 h PHE 204 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1k21 h PHE 204 Cb 0.35 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1k21 h PHE 204 CO 0.00 1.33 0.00 0.27 -0.60 0.00 0.00 178.31 179.31 1k21 n ASN 204 N -4.37 1.63 -3.33 2.17 2.04 -1.25 -5.01 115.26 107.14 1k21 n ASN 204 Ca -0.22 -1.64 -0.24 0.00 -0.44 0.00 0.00 54.58 52.04 1k21 n ASN 204 Cb 0.66 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.93 1k21 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1k21 n ASN 205 N -0.32 -4.57 -4.61 0.53 4.13 0.24 -4.99 115.26 105.68 1k21 n ASN 205 Ca 0.00 -0.40 -0.28 0.00 1.68 0.00 0.00 54.58 55.57 1k21 n ASN 205 Cb 0.16 -3.73 -0.09 0.00 -1.54 0.00 0.00 39.78 34.59 1k21 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1k21 s ARG 206 N -5.99 2.24 -0.03 3.52 0.52 -1.25 -4.84 118.95 113.12 1k21 s ARG 206 Ca 0.40 -1.07 -0.22 0.00 -0.52 0.00 0.00 55.73 54.32 1k21 s ARG 206 Cb -0.20 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1k21 s ARG 206 CO 0.50 0.48 0.66 -1.58 0.02 0.00 0.00 175.30 175.38 1k21 s TRP 207 N -1.47 3.64 -0.05 -0.53 0.52 -1.26 -0.94 118.94 118.85 1k21 s TRP 207 Ca 0.24 1.24 0.06 0.00 0.02 0.00 0.00 56.10 57.67 1k21 s TRP 207 Cb -0.10 -2.72 -0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1k21 s TRP 207 CO 0.16 0.22 -0.24 0.71 0.02 0.00 0.00 176.95 177.82 1k21 s TYR 208 N 0.29 2.28 -0.45 -1.98 2.02 0.34 -1.90 117.35 117.95 1k21 s TYR 208 Ca 0.34 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 1k21 s TYR 208 Cb -0.18 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1k21 s TYR 208 CO 0.18 -0.18 0.78 -1.14 -1.57 0.00 0.00 175.55 173.62 1k21 s GLN 209 N -0.21 3.40 0.00 -0.62 0.74 0.06 -1.05 119.66 121.98 1k21 s GLN 209 Ca -0.01 -0.12 0.17 0.00 0.05 0.00 0.00 55.36 55.45 1k21 s GLN 209 Cb -0.13 -3.94 -0.18 0.00 1.10 0.00 0.00 33.01 29.86 1k21 s GLN 209 CO 0.03 -1.11 0.66 -1.33 -0.55 0.00 0.00 175.29 172.99 1k21 n MET 210 N 6.69 0.64 -4.13 1.67 2.81 -0.01 -4.41 117.12 120.37 1k21 n MET 210 Ca 0.02 0.16 -0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1k21 n MET 210 Cb 0.48 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.18 1k21 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1k21 s GLY 211 N -4.91 1.28 -0.04 3.03 0.00 -0.72 -2.09 107.32 103.87 1k21 s GLY 211 Ca -0.05 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1k21 s GLY 211 CO 0.82 -1.11 -0.12 -0.42 0.00 0.00 0.00 173.10 172.27 1k21 s ILE 212 N -3.84 1.08 -0.05 0.90 1.01 -1.04 -1.08 121.20 118.18 1k21 s ILE 212 Ca 0.33 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1k21 s ILE 212 Cb 0.03 -0.96 -0.08 0.00 0.01 0.00 0.00 42.46 41.46 1k21 s ILE 212 CO 0.14 0.33 2.05 0.52 0.00 0.00 0.00 174.94 177.98 1k21 n VAL 213 N 3.40 0.63 -0.00 2.92 0.31 -0.18 -0.80 118.33 124.61 1k21 n VAL 213 Ca -0.20 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 63.88 1k21 n VAL 213 Cb 0.53 -2.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1k21 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k21 n SER 214 N 8.78 0.85 -3.89 4.52 2.88 -0.81 -1.58 113.62 124.37 1k21 n SER 214 Ca 0.23 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.81 1k21 n SER 214 Cb 0.41 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 1k21 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1k21 s TRP 215 N -1.80 0.13 0.01 0.66 1.48 -1.00 -4.93 118.94 113.50 1k21 s TRP 215 Ca -0.06 -0.50 -0.29 0.00 -1.06 0.00 0.00 56.10 54.19 1k21 s TRP 215 Cb 0.01 0.30 0.10 0.00 -1.16 0.00 0.00 33.47 32.72 1k21 s TRP 215 CO 0.10 -0.97 0.97 0.20 -4.06 0.00 0.00 176.95 173.18 1k21 s GLY 216 N -2.95 -0.38 -0.39 3.67 0.00 -1.26 -0.44 107.32 105.56 1k21 s GLY 216 Ca 0.16 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 1k21 s GLY 216 CO 0.04 0.26 0.18 -0.54 0.00 0.00 0.00 173.10 173.04 1k21 s GLU 217 N -3.03 2.23 1.42 2.90 2.02 -1.26 -4.96 118.70 118.02 1k21 s GLU 217 Ca 0.08 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1k21 s GLU 217 Cb -0.01 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1k21 s GLU 217 CO -0.05 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1k21 n GLY 219 N 4.68 -1.76 2.74 -1.39 0.00 -1.26 -4.77 105.19 103.44 1k21 n GLY 219 Ca -0.06 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 1k21 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k21 n ASP 221 N 4.51 -5.56 -4.81 0.00 2.03 -1.26 -4.61 116.55 106.85 1k21 n ASP 221 Ca -0.21 -0.48 -0.38 0.00 0.52 0.00 0.00 54.79 54.24 1k21 n ASP 221 Cb 0.50 -4.45 -0.06 0.00 -0.72 0.00 0.00 41.12 36.39 1k21 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1k21 s ARG 221 N -6.13 4.26 0.37 -0.67 0.52 -1.26 -4.92 118.95 111.12 1k21 s ARG 221 Ca 0.48 0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 56.23 1k21 s ARG 221 Cb -0.23 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 1k21 s ARG 221 CO 0.59 0.55 1.49 -0.51 0.02 0.00 0.00 175.30 177.44 1k21 s ASP 222 N -1.31 6.35 0.00 0.23 1.11 -1.26 -1.63 116.67 120.15 1k21 s ASP 222 Ca 0.34 3.04 0.00 0.00 0.18 0.00 0.00 52.55 56.12 1k21 s ASP 222 Cb -0.19 -2.67 0.00 0.00 1.07 0.00 0.00 42.92 41.13 1k21 s ASP 222 CO 0.21 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.30 1k21 n GLY 223 N 0.52 2.39 3.66 0.21 0.00 -1.26 -5.00 105.19 105.71 1k21 n GLY 223 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1k21 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k21 s LYS 224 N -0.01 2.37 0.09 1.61 -0.14 -0.65 -4.74 119.74 118.26 1k21 s LYS 224 Ca 0.00 -1.29 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 1k21 s LYS 224 Cb 0.00 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 1k21 s LYS 224 CO 0.00 0.40 -0.04 0.71 -0.76 0.00 0.00 175.35 175.65 1k21 s TYR 225 N -2.10 0.78 0.11 3.18 1.51 -1.26 -4.71 117.35 114.86 1k21 s TYR 225 Ca 0.30 -0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 55.20 1k21 s TYR 225 Cb -0.07 -0.48 -0.07 0.00 -0.11 0.00 0.00 41.96 41.23 1k21 s TYR 225 CO 0.20 -0.25 0.56 0.20 -1.11 0.00 0.00 175.55 175.14 1k21 s GLY 226 N -3.01 2.55 -0.06 0.71 0.00 -0.87 -4.55 107.32 102.11 1k21 s GLY 226 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1k21 s GLY 226 CO -0.06 0.30 -0.07 -1.36 0.00 0.00 0.00 173.10 171.91 1k21 s PHE 227 N -1.31 2.93 0.06 1.90 0.40 0.42 -1.21 117.98 121.17 1k21 s PHE 227 Ca 0.34 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.75 1k21 s PHE 227 Cb -0.17 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1k21 s PHE 227 CO 0.19 0.34 -0.17 0.71 0.70 0.00 0.00 175.22 176.99 1k21 s TYR 228 N -0.83 1.47 0.17 0.36 1.51 0.38 -1.92 117.35 118.49 1k21 s TYR 228 Ca 0.13 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.49 1k21 s TYR 228 Cb -0.11 -0.85 -0.09 0.00 -0.11 0.00 0.00 41.96 40.80 1k21 s TYR 228 CO 0.02 0.08 1.37 0.99 -1.11 0.00 0.00 175.55 176.90 1k21 s THR 229 N -0.97 3.14 -0.92 -0.71 2.01 0.02 -2.00 115.64 116.22 1k21 s THR 229 Ca 0.03 0.89 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 1k21 s THR 229 Cb -0.09 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.90 1k21 s THR 229 CO 0.02 0.11 1.37 -2.28 -0.69 0.00 0.00 174.62 173.15 1k21 s HIS 230 N 0.49 2.47 0.18 4.92 2.46 0.45 -2.50 115.29 123.76 1k21 s HIS 230 Ca 0.60 -0.59 -0.15 0.00 0.47 0.00 0.00 55.06 55.40 1k21 s HIS 230 Cb -0.38 -4.65 0.14 0.00 -0.13 0.00 0.00 32.58 27.56 1k21 s HIS 230 CO 0.36 -1.97 1.69 0.28 -2.47 0.00 0.00 174.74 172.64 1k21 h VAL 231 N 6.49 0.67 -0.93 0.89 2.07 -1.74 -2.54 116.25 121.17 1k21 h VAL 231 Ca 0.03 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1k21 h VAL 231 Cb 1.03 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1k21 h VAL 231 CO 1.36 0.02 0.61 0.15 0.02 0.00 0.00 177.57 179.73 1k21 h PHE 232 N 0.12 1.14 -0.05 1.57 3.57 -1.87 -1.59 116.94 119.83 1k21 h PHE 232 Ca 0.22 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1k21 h PHE 232 Cb 0.32 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1k21 h PHE 232 CO -0.28 0.68 0.08 0.00 -2.23 0.00 0.00 178.31 176.57 1k21 h ARG 233 N 1.20 0.00 -0.25 1.11 2.47 -1.82 -1.62 114.38 115.46 1k21 h ARG 233 Ca 0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1k21 h ARG 233 Cb -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1k21 h ARG 233 CO -0.10 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.71 1k21 n LEU 234 N -3.58 2.90 0.16 3.04 4.77 -0.67 -4.66 117.00 118.95 1k21 n LEU 234 Ca -0.02 -2.22 0.04 0.00 -0.03 0.00 0.00 56.01 53.79 1k21 n LEU 234 Cb 0.17 -0.25 0.47 0.00 -2.33 0.00 0.00 43.42 41.48 1k21 n LEU 234 CO 0.25 0.68 0.97 0.50 -1.33 0.00 0.00 177.39 178.45 1k21 h LYS 235 N 1.53 0.18 -0.76 3.23 3.64 -0.52 -2.21 116.57 121.66 1k21 h LYS 235 Ca 0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1k21 h LYS 235 Cb 0.82 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 1k21 h LYS 235 CO 0.04 0.25 0.47 0.87 -2.27 0.00 0.00 179.45 178.81 1k21 h LYS 236 N 0.17 0.86 -0.35 1.90 1.57 -1.83 0.95 116.57 119.85 1k21 h LYS 236 Ca 0.04 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1k21 h LYS 236 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1k21 h LYS 236 CO 0.01 0.57 0.04 2.35 -0.57 0.00 0.00 179.45 181.85 1k21 h TRP 237 N 0.89 0.63 -0.30 -1.35 7.01 -1.77 -1.95 115.95 119.12 1k21 h TRP 237 Ca 0.32 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 61.27 1k21 h TRP 237 Cb 0.10 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 1k21 h TRP 237 CO -0.04 0.67 0.06 0.82 -2.79 0.00 0.00 178.44 177.15 1k21 h ILE 238 N 0.42 0.86 -0.71 2.65 2.04 -1.00 -1.56 117.51 120.21 1k21 h ILE 238 Ca 0.10 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 1k21 h ILE 238 Cb 0.39 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1k21 h ILE 238 CO 0.01 0.03 0.22 -0.61 0.00 0.00 0.00 178.15 177.80 1k21 h GLN 239 N 0.17 1.10 -0.49 2.37 5.75 -0.74 -1.52 115.11 121.75 1k21 h GLN 239 Ca 0.14 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1k21 h GLN 239 Cb 0.15 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1k21 h GLN 239 CO -0.18 0.94 0.28 -0.22 -2.65 0.00 0.00 178.83 177.00 1k21 h LYS 240 N 1.06 0.68 -0.09 1.69 3.64 -0.97 0.20 116.57 122.78 1k21 h LYS 240 Ca 0.23 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1k21 h LYS 240 Cb 0.30 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1k21 h LYS 240 CO -0.01 0.52 0.03 0.28 -2.27 0.00 0.00 179.45 178.01 1k21 h VAL 241 N 0.66 1.15 -0.42 2.00 2.07 -1.04 -0.86 116.25 119.81 1k21 h VAL 241 Ca 0.17 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1k21 h VAL 241 Cb 0.03 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1k21 h VAL 241 CO -0.03 0.13 0.18 0.40 0.02 0.00 0.00 177.57 178.27 1k21 h ILE 242 N -0.03 1.19 0.00 4.57 2.04 -1.13 -0.03 117.51 124.12 1k21 h ILE 242 Ca 0.03 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1k21 h ILE 242 Cb 0.18 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1k21 h ILE 242 CO -0.00 0.21 -0.02 0.44 0.00 0.00 0.00 178.15 178.78 1k21 h ASP 243 N 0.54 0.00 0.00 1.72 3.45 -0.54 -3.51 116.42 118.07 1k21 h ASP 243 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1k21 h ASP 243 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1k21 h ASP 243 CO -0.01 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.68