#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzq s VAL 17 N 0.00 4.11 -1.60 1.39 1.01 0.55 -4.00 120.40 121.86 1nzq s VAL 17 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1nzq s VAL 17 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1nzq s VAL 17 CO 0.00 0.55 0.21 -0.62 0.00 0.00 0.00 175.10 175.25 1nzq n GLU 18 N 2.74 -2.71 -0.06 2.72 -0.58 -1.26 -2.46 120.64 119.02 1nzq n GLU 18 Ca -0.18 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1nzq n GLU 18 Cb 0.53 -5.57 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 1nzq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nzq n GLY 19 N -1.19 3.51 3.36 0.62 0.00 -1.26 -4.75 105.19 105.48 1nzq n GLY 19 Ca -0.19 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 1nzq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nzq s SER 20 N -0.47 0.02 0.33 1.61 1.04 -0.61 -4.91 113.70 110.71 1nzq s SER 20 Ca 0.00 -0.88 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 1nzq s SER 20 Cb 0.00 0.45 -0.11 0.00 0.10 0.00 0.00 66.02 66.46 1nzq s SER 20 CO 0.00 -0.92 1.57 0.47 0.98 0.00 0.00 173.24 175.34 1nzq n ASP 21 N -0.24 3.91 -4.84 7.02 10.43 -1.26 -0.88 116.55 130.69 1nzq n ASP 21 Ca -0.07 1.18 -0.32 0.00 2.57 0.00 0.00 54.79 58.15 1nzq n ASP 21 Cb 0.63 -1.61 -0.04 0.00 1.84 0.00 0.00 41.12 41.94 1nzq n ASP 21 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nzq s ALA 22 N -0.39 3.06 0.50 2.24 0.00 -0.41 -4.80 121.76 121.97 1nzq s ALA 22 Ca 0.60 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 1nzq s ALA 22 Cb -0.48 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1nzq s ALA 22 CO 0.54 -0.23 0.76 -1.83 0.00 0.00 0.00 175.76 175.00 1nzq s GLU 23 N -4.04 2.99 0.27 0.00 -1.05 -1.26 -4.93 118.70 110.69 1nzq s GLU 23 Ca 0.59 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 1nzq s GLU 23 Cb -0.10 -2.45 -0.11 0.00 -0.44 0.00 0.00 34.13 31.02 1nzq s GLU 23 CO 0.31 -0.44 1.60 0.42 0.95 0.00 0.00 175.26 178.09 1nzq s ILE 24 N -2.72 2.13 0.00 1.83 -1.09 -1.26 -2.16 121.20 117.94 1nzq s ILE 24 Ca 0.51 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1nzq s ILE 24 Cb -0.10 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1nzq s ILE 24 CO 0.40 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1nzq n GLY 25 N 2.50 0.43 0.25 6.18 0.00 -1.26 -4.91 105.19 108.38 1nzq n GLY 25 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1nzq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nzq h MET 26 N 1.04 0.52 -2.05 1.61 -1.53 -1.81 -3.35 114.93 109.37 1nzq h MET 26 Ca 0.00 -0.18 -0.55 0.00 -3.44 0.00 0.00 59.70 55.53 1nzq h MET 26 Cb 0.23 -0.04 -0.40 0.00 -0.55 0.00 0.00 31.60 30.84 1nzq h MET 26 CO 0.00 0.70 -1.03 0.43 0.14 0.00 0.00 176.91 177.15 1nzq n SER 27 N -4.15 1.21 0.00 1.39 7.64 -1.26 -4.97 113.62 113.48 1nzq n SER 27 Ca 0.00 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1nzq n SER 27 Cb 0.38 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1nzq n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1nzq n PRO 28 N 0.88 0.00 0.00 1.43 -0.04 -1.26 -0.84 135.00 135.17 1nzq n PRO 28 Ca 0.24 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1nzq n PRO 28 Cb 0.54 -1.52 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1nzq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nzq n TRP 29 N -1.12 0.00 -2.01 0.54 2.14 -0.90 -0.55 117.44 115.54 1nzq n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1nzq n TRP 29 Cb 0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1nzq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nzq s GLN 30 N -1.68 4.25 0.05 -2.67 2.00 -0.02 -0.49 119.66 121.11 1nzq s GLN 30 Ca 0.16 2.28 0.08 0.00 -2.00 0.00 0.00 55.36 55.88 1nzq s GLN 30 Cb 0.13 -3.17 -0.03 0.00 0.80 0.00 0.00 33.01 30.75 1nzq s GLN 30 CO 0.32 -0.53 -0.23 0.08 -0.50 0.00 0.00 175.29 174.43 1nzq s VAL 31 N 0.93 1.84 -0.17 1.34 1.01 0.09 -4.13 120.40 121.30 1nzq s VAL 31 Ca 0.67 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1nzq s VAL 31 Cb -0.42 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1nzq s VAL 31 CO 0.33 0.26 -0.04 -0.32 0.00 0.00 0.00 175.10 175.33 1nzq s MET 32 N -1.22 3.60 -0.31 2.72 1.75 -0.49 -0.99 119.30 124.36 1nzq s MET 32 Ca 0.09 -0.55 -0.19 0.00 -1.25 0.00 0.00 55.69 53.79 1nzq s MET 32 Cb -0.09 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.63 1nzq s MET 32 CO 0.02 0.14 0.58 -0.51 -0.65 0.00 0.00 175.02 174.60 1nzq s LEU 33 N 0.63 4.17 -0.09 4.11 1.02 0.99 -1.22 118.68 128.29 1nzq s LEU 33 Ca -0.03 0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.50 1nzq s LEU 33 Cb -0.14 -2.73 -0.01 0.00 0.02 0.00 0.00 46.19 43.32 1nzq s LEU 33 CO 0.02 -0.44 -0.19 0.12 0.02 0.00 0.00 176.35 175.89 1nzq s PHE 34 N 2.51 2.65 0.04 0.29 5.36 0.13 -0.22 117.98 128.74 1nzq s PHE 34 Ca 0.23 -0.68 -0.28 0.00 -0.96 0.00 0.00 56.93 55.24 1nzq s PHE 34 Cb -0.15 -1.72 -0.05 0.00 -0.34 0.00 0.00 43.02 40.76 1nzq s PHE 34 CO 0.12 -0.20 0.88 0.50 -1.46 0.00 0.00 175.22 175.06 1nzq s ARG 35 N 0.07 4.58 0.09 10.12 3.52 -0.47 0.05 118.95 136.91 1nzq s ARG 35 Ca -0.08 1.27 -0.20 0.00 -0.13 0.00 0.00 55.73 56.59 1nzq s ARG 35 Cb -0.15 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 1nzq s ARG 35 CO 0.05 0.15 1.63 0.87 -0.81 0.00 0.00 175.30 177.20 1nzq h LYS 36 N 6.05 0.28 -2.34 5.12 1.57 -1.67 -3.20 116.57 122.37 1nzq h LYS 36 Ca -0.42 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1nzq h LYS 36 Cb 1.21 -0.05 -0.25 0.00 0.08 0.00 0.00 32.23 33.23 1nzq h LYS 36 CO 0.73 0.34 -0.27 0.45 -0.57 0.00 0.00 179.45 180.12 1nzq s SER 36 N -5.58 -0.58 0.50 0.86 0.15 -1.26 -3.44 113.70 104.35 1nzq s SER 36 Ca -0.14 1.20 -0.21 0.00 0.70 0.00 0.00 55.95 57.50 1nzq s SER 36 Cb 0.07 1.63 -0.07 0.00 -1.71 0.00 0.00 66.02 65.94 1nzq s SER 36 CO 0.70 -0.23 1.09 -2.16 1.20 0.00 0.00 173.24 173.85 1nzq s PRO 37 N 2.61 3.65 -0.34 5.44 0.04 -1.26 -5.06 135.00 140.08 1nzq s PRO 37 Ca -0.04 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1nzq s PRO 37 Cb -0.12 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1nzq s PRO 37 CO -0.15 -0.58 1.90 -0.65 0.04 0.00 0.00 177.00 177.55 1nzq s GLN 38 N -3.14 3.19 0.09 4.56 -0.21 -1.22 -4.64 119.66 118.29 1nzq s GLN 38 Ca 0.68 1.46 -0.20 0.00 0.02 0.00 0.00 55.36 57.32 1nzq s GLN 38 Cb -0.21 -4.26 0.05 0.00 1.00 0.00 0.00 33.01 29.59 1nzq s GLN 38 CO 0.25 -2.03 0.48 -1.83 -2.12 0.00 0.00 175.29 170.04 1nzq s GLU 39 N 5.99 1.07 0.17 2.91 -1.05 -1.21 -4.98 118.70 121.61 1nzq s GLU 39 Ca 0.83 -0.44 -0.31 0.00 -0.15 0.00 0.00 54.97 54.90 1nzq s GLU 39 Cb -0.23 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 33.85 1nzq s GLU 39 CO 0.32 -0.41 1.38 -1.17 0.95 0.00 0.00 175.26 176.33 1nzq s LEU 40 N -2.36 4.39 -0.15 1.83 2.96 -1.26 -1.37 118.68 122.71 1nzq s LEU 40 Ca -0.02 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1nzq s LEU 40 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 1nzq s LEU 40 CO -0.07 -0.62 -0.16 -0.11 -1.32 0.00 0.00 176.35 174.07 1nzq n LEU 41 N 3.18 2.35 -3.81 -0.68 7.94 0.69 -4.89 117.00 121.79 1nzq n LEU 41 Ca 0.09 0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.97 1nzq n LEU 41 Cb 0.42 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.87 1nzq n LEU 41 CO 0.59 0.61 0.81 0.00 -1.11 0.00 0.00 177.39 178.28 1nzq s GLY 43 N -3.19 1.89 0.05 0.00 0.00 0.31 -0.00 107.32 106.38 1nzq s GLY 43 Ca 0.17 -1.93 -0.19 0.00 0.00 0.00 0.00 44.72 42.78 1nzq s GLY 43 CO 0.03 -1.72 0.86 0.00 0.00 0.00 0.00 173.10 172.27 1nzq n ALA 44 N -2.10 -2.36 -2.99 3.20 0.00 -0.16 -4.02 120.51 112.08 1nzq n ALA 44 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 1nzq n ALA 44 Cb 0.62 0.24 -0.12 0.00 0.00 0.00 0.00 19.45 20.20 1nzq n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nzq s SER 45 N -2.96 0.08 -0.34 0.00 1.04 0.43 -0.73 113.70 111.21 1nzq s SER 45 Ca 0.20 -0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 1nzq s SER 45 Cb -0.01 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1nzq s SER 45 CO 0.01 -0.21 0.66 -0.22 0.98 0.00 0.00 173.24 174.47 1nzq s LEU 46 N -0.87 4.19 0.00 2.42 2.96 0.36 -0.55 118.68 127.19 1nzq s LEU 46 Ca -0.10 0.30 0.16 0.00 -0.22 0.00 0.00 54.13 54.27 1nzq s LEU 46 Cb -0.06 -2.85 0.04 0.00 0.50 0.00 0.00 46.19 43.82 1nzq s LEU 46 CO -0.00 -0.58 0.90 2.30 -1.32 0.00 0.00 176.35 177.65 1nzq n ILE 47 N 5.55 0.00 -3.84 6.68 -5.35 -0.90 -1.29 119.36 120.20 1nzq n ILE 47 Ca -0.00 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1nzq n ILE 47 Cb 0.49 1.24 0.01 0.00 -1.74 0.00 0.00 39.64 39.63 1nzq n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1nzq n SER 48 N 0.19 -0.94 0.00 7.28 3.41 -1.23 -4.72 113.62 117.61 1nzq n SER 48 Ca 0.08 -1.37 0.14 0.00 -0.26 0.00 0.00 58.87 57.45 1nzq n SER 48 Cb 0.36 1.50 0.77 0.00 -0.26 0.00 0.00 64.21 66.59 1nzq n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nzq n ASP 49 N -0.89 0.00 0.00 4.04 5.75 -1.26 -3.83 116.55 120.35 1nzq n ASP 49 Ca 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 1nzq n ASP 49 Cb 0.37 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1nzq n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nzq n ARG 50 N -1.15 0.69 -5.12 0.11 1.74 -1.26 -1.29 116.66 110.38 1nzq n ARG 50 Ca 0.17 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 1nzq n ARG 50 Cb 0.16 -0.32 -0.16 0.00 -1.02 0.00 0.00 32.46 31.13 1nzq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nzq s TRP 51 N -0.11 2.12 -0.05 -1.55 0.52 -1.25 -0.81 118.94 117.81 1nzq s TRP 51 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 56.10 55.64 1nzq s TRP 51 Cb 0.00 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1nzq s TRP 51 CO 0.00 -0.13 -0.21 0.08 0.02 0.00 0.00 176.95 176.71 1nzq s VAL 52 N -0.27 1.76 -0.11 4.03 1.01 -0.11 -2.12 120.40 124.58 1nzq s VAL 52 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1nzq s VAL 52 Cb -0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1nzq s VAL 52 CO 0.01 0.50 0.01 -0.22 0.00 0.00 0.00 175.10 175.40 1nzq s LEU 53 N -0.08 3.62 0.00 3.92 2.96 0.28 -0.84 118.68 128.54 1nzq s LEU 53 Ca -0.04 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1nzq s LEU 53 Cb -0.13 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1nzq s LEU 53 CO 0.03 0.33 0.38 1.07 -1.32 0.00 0.00 176.35 176.84 1nzq n THR 54 N 2.47 0.00 -3.35 3.68 5.66 -0.85 -0.43 114.28 121.46 1nzq n THR 54 Ca -0.18 -0.70 -0.36 0.00 -3.05 0.00 0.00 64.05 59.76 1nzq n THR 54 Cb 0.53 0.57 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 1nzq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nzq s ALA 55 N -1.82 3.58 0.34 1.79 0.00 -1.26 -1.52 121.76 122.87 1nzq s ALA 55 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1nzq s ALA 55 Cb -0.02 -2.54 0.62 0.00 0.00 0.00 0.00 23.12 21.18 1nzq s ALA 55 CO 0.08 0.45 1.90 0.00 0.00 0.00 0.00 175.76 178.19 1nzq h ALA 56 N 3.69 1.41 0.00 0.00 0.00 -1.71 -2.50 119.26 120.15 1nzq h ALA 56 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1nzq h ALA 56 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1nzq h ALA 56 CO 0.65 0.42 0.00 -2.39 0.00 0.00 0.00 179.25 177.94 1nzq n HIS 57 N -4.31 0.00 0.14 0.00 1.44 -1.26 -1.09 115.22 110.14 1nzq n HIS 57 Ca 0.02 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.75 1nzq n HIS 57 Cb 0.21 -0.31 0.07 0.00 0.12 0.00 0.00 29.99 30.09 1nzq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nzq n LEU 59 N -3.29 0.76 -3.71 0.00 4.77 -0.35 -4.85 117.00 110.33 1nzq n LEU 59 Ca 0.01 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1nzq n LEU 59 Cb 0.71 0.09 -0.18 0.00 -2.33 0.00 0.00 43.42 41.71 1nzq n LEU 59 CO 0.40 0.42 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.31 1nzq s LEU 60 N -5.17 0.37 0.13 2.23 0.20 -0.25 -0.62 118.68 115.56 1nzq s LEU 60 Ca -0.10 -0.07 -0.24 0.00 0.69 0.00 0.00 54.13 54.40 1nzq s LEU 60 Cb 0.04 -0.28 0.07 0.00 -0.43 0.00 0.00 46.19 45.59 1nzq s LEU 60 CO 0.47 -0.24 0.71 -0.47 -0.29 0.00 0.00 176.35 176.53 1nzq s TYR 60 N 2.08 -0.43 0.00 5.38 5.04 0.16 -4.19 117.35 125.39 1nzq s TYR 60 Ca 0.05 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1nzq s TYR 60 Cb -0.13 0.57 0.00 0.00 0.35 0.00 0.00 41.96 42.76 1nzq s TYR 60 CO -0.05 -0.81 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 1nzq n PRO 60 N -0.36 0.00 -0.17 4.97 -0.02 -1.26 -2.10 135.00 136.06 1nzq n PRO 60 Ca -0.13 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1nzq n PRO 60 Cb 0.63 -0.26 0.16 0.00 -0.02 0.00 0.00 33.50 34.01 1nzq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nzq n TRP 60 N -0.04 0.29 -1.65 6.00 8.01 -1.26 -4.95 117.44 123.84 1nzq n TRP 60 Ca 0.00 -0.88 -0.21 0.00 -1.31 0.00 0.00 57.50 55.10 1nzq n TRP 60 Cb 0.00 -0.18 -0.09 0.00 -2.01 0.00 0.00 31.31 29.04 1nzq n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1nzq n ASP 60 N -0.95 -5.52 -4.64 -0.99 8.00 -1.15 -4.93 116.55 106.36 1nzq n ASP 60 Ca 0.15 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.72 1nzq n ASP 60 Cb 0.65 -4.86 -0.03 0.00 -0.02 0.00 0.00 41.12 36.86 1nzq n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1nzq s LYS 60 N -3.83 4.10 -0.42 -1.24 2.47 -0.89 -4.97 119.74 114.95 1nzq s LYS 60 Ca 0.00 0.97 0.07 0.00 -1.56 0.00 0.00 55.97 55.46 1nzq s LYS 60 Cb 0.00 -3.70 0.18 0.00 -1.46 0.00 0.00 37.83 32.85 1nzq s LYS 60 CO 0.00 -0.72 0.62 1.21 0.16 0.00 0.00 175.35 176.63 1nzq s ASN 60 N 1.50 -1.30 0.27 1.43 3.04 -1.23 0.37 114.94 119.02 1nzq s ASN 60 Ca 0.40 -1.02 -0.06 0.00 0.04 0.00 0.00 52.86 52.22 1nzq s ASN 60 Cb -0.14 1.83 -0.06 0.00 -1.54 0.00 0.00 41.25 41.35 1nzq s ASN 60 CO 0.11 -0.16 0.55 -0.36 -3.04 0.00 0.00 177.10 174.20 1nzq s PHE 60 N 1.64 3.47 0.45 0.43 0.08 0.20 -5.01 117.98 119.24 1nzq s PHE 60 Ca 0.18 0.69 0.05 0.00 0.12 0.00 0.00 56.93 57.98 1nzq s PHE 60 Cb -0.04 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1nzq s PHE 60 CO -0.06 0.20 0.08 0.95 -0.10 0.00 0.00 175.22 176.29 1nzq s THR 60 N -2.01 1.79 0.29 0.64 -4.23 -1.26 -4.90 115.64 105.96 1nzq s THR 60 Ca 0.45 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1nzq s THR 60 Cb -0.11 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.34 1nzq s THR 60 CO 0.28 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.76 1nzq h GLU 61 N 1.48 0.52 -0.01 3.99 3.07 -1.95 -1.81 114.58 119.86 1nzq h GLU 61 Ca -0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1nzq h GLU 61 Cb 1.27 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1nzq h GLU 61 CO 0.74 0.34 0.00 0.09 -1.40 0.00 0.00 179.01 178.79 1nzq n ASN 62 N -4.94 0.27 0.04 1.42 4.13 -1.26 -3.32 115.26 111.59 1nzq n ASN 62 Ca 0.21 -1.18 0.11 0.00 1.68 0.00 0.00 54.58 55.41 1nzq n ASN 62 Cb 0.58 -0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.87 1nzq n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1nzq n ASP 63 N -0.75 0.63 -4.44 6.41 8.00 -0.68 -4.92 116.55 120.80 1nzq n ASP 63 Ca 0.21 -0.12 -0.22 0.00 0.71 0.00 0.00 54.79 55.37 1nzq n ASP 63 Cb 0.14 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 41.81 1nzq n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nzq s LEU 64 N -4.04 2.52 0.09 0.64 1.43 -1.21 -1.75 118.68 116.35 1nzq s LEU 64 Ca 0.04 -1.18 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1nzq s LEU 64 Cb 0.14 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1nzq s LEU 64 CO 0.79 -0.31 -0.09 -0.76 0.23 0.00 0.00 176.35 176.21 1nzq s LEU 65 N -3.46 2.40 -0.11 1.79 1.43 0.11 -4.49 118.68 116.36 1nzq s LEU 65 Ca 0.29 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1nzq s LEU 65 Cb 0.03 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1nzq s LEU 65 CO 0.12 -0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 175.59 1nzq s VAL 66 N -2.50 3.12 -0.23 -1.59 1.01 0.02 -0.69 120.40 119.54 1nzq s VAL 66 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1nzq s VAL 66 Cb -0.02 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1nzq s VAL 66 CO -0.01 0.54 -0.08 -0.13 0.00 0.00 0.00 175.10 175.42 1nzq s ARG 67 N 0.01 1.93 0.06 2.72 0.52 -0.35 -0.25 118.95 123.59 1nzq s ARG 67 Ca -0.04 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 1nzq s ARG 67 Cb -0.14 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1nzq s ARG 67 CO 0.04 -0.54 -0.01 0.42 0.02 0.00 0.00 175.30 175.22 1nzq s ILE 68 N 1.30 3.97 0.00 1.52 1.01 0.30 -1.40 121.20 127.91 1nzq s ILE 68 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1nzq s ILE 68 Cb -0.19 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1nzq s ILE 68 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1nzq n GLY 69 N 0.87 0.60 3.88 6.18 0.00 -1.26 0.28 105.19 115.73 1nzq n GLY 69 Ca -0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1nzq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzq s LYS 70 N -0.70 3.60 0.14 1.61 1.02 -1.26 -4.31 119.74 119.83 1nzq s LYS 70 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1nzq s LYS 70 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1nzq s LYS 70 CO 0.00 -0.48 0.00 1.58 -0.92 0.00 0.00 175.35 175.53 1nzq n HIS 71 N -2.60 -1.15 -2.39 3.18 -0.00 -1.26 -4.97 115.22 106.03 1nzq n HIS 71 Ca 0.05 0.20 -0.38 0.00 -0.00 0.00 0.00 57.72 57.59 1nzq n HIS 71 Cb 0.54 0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 30.92 1nzq n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nzq s SER 72 N -5.14 6.76 -0.00 0.26 0.15 -1.26 -1.32 113.70 113.15 1nzq s SER 72 Ca 0.00 2.26 -0.20 0.00 0.70 0.00 0.00 55.95 58.71 1nzq s SER 72 Cb 0.00 -2.61 -0.28 0.00 -1.71 0.00 0.00 66.02 61.42 1nzq s SER 72 CO 0.00 -0.50 1.02 -0.09 1.20 0.00 0.00 173.24 174.87 1nzq h ARG 73 N 2.90 0.42 0.00 5.44 2.43 -1.79 -3.40 114.38 120.38 1nzq h ARG 73 Ca -0.48 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.13 1nzq h ARG 73 Cb 1.22 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1nzq h ARG 73 CO 0.64 1.22 -1.63 0.25 -1.51 0.00 0.00 179.97 178.93 1nzq n THR 74 N -4.09 0.00 -2.79 0.20 -2.24 -1.26 -5.01 114.28 99.09 1nzq n THR 74 Ca -0.12 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1nzq n THR 74 Cb 0.80 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1nzq n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nzq s ARG 75 N -3.11 4.06 -0.79 -0.78 1.81 -1.26 -4.99 118.95 113.89 1nzq s ARG 75 Ca -0.04 0.91 -0.20 0.00 -1.72 0.00 0.00 55.73 54.67 1nzq s ARG 75 Cb 0.11 -2.25 0.10 0.00 -0.45 0.00 0.00 34.95 32.47 1nzq s ARG 75 CO 0.72 -0.05 1.03 -0.47 -0.68 0.00 0.00 175.30 175.85 1nzq s TYR 76 N -2.27 2.91 -0.96 -0.53 5.04 -1.26 -4.89 117.35 115.39 1nzq s TYR 76 Ca 0.58 -0.99 -0.24 0.00 -2.44 0.00 0.00 57.07 53.99 1nzq s TYR 76 Cb -0.10 -4.28 -0.15 0.00 0.35 0.00 0.00 41.96 37.79 1nzq s TYR 76 CO 0.21 -1.55 1.92 0.39 -1.34 0.00 0.00 175.55 175.17 1nzq n GLU 77 N 7.08 1.30 -1.61 4.97 1.02 -1.26 -4.92 120.64 127.22 1nzq n GLU 77 Ca 0.10 -2.10 -0.48 0.00 -0.02 0.00 0.00 57.16 54.66 1nzq n GLU 77 Cb 0.47 -3.41 -0.04 0.00 -0.02 0.00 0.00 31.44 28.44 1nzq n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nzq n ARG 77 N 7.85 1.50 -0.50 3.49 0.63 -1.26 -1.08 116.66 127.29 1nzq n ARG 77 Ca 0.46 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1nzq n ARG 77 Cb 0.44 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1nzq n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1nzq n ASN 78 N 2.21 0.00 -0.00 6.15 5.03 -1.26 -4.74 115.26 122.65 1nzq n ASN 78 Ca 0.14 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.55 1nzq n ASN 78 Cb 0.26 -0.89 -0.01 0.00 -1.02 0.00 0.00 39.78 38.12 1nzq n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1nzq n ILE 79 N -2.00 1.01 -2.05 2.41 5.41 -0.32 -5.06 119.36 118.76 1nzq n ILE 79 Ca 0.00 0.20 -0.30 0.00 1.00 0.00 0.00 62.75 63.65 1nzq n ILE 79 Cb 0.00 -1.72 0.02 0.00 -0.71 0.00 0.00 39.64 37.23 1nzq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1nzq s GLU 80 N -2.20 3.30 -0.07 0.38 -1.05 -0.24 -4.77 118.70 114.05 1nzq s GLU 80 Ca -0.08 0.50 0.02 0.00 -0.15 0.00 0.00 54.97 55.25 1nzq s GLU 80 Cb 0.02 -2.13 0.02 0.00 -0.44 0.00 0.00 34.13 31.60 1nzq s GLU 80 CO 0.12 -0.66 -0.11 0.15 0.95 0.00 0.00 175.26 175.71 1nzq s LYS 81 N -5.15 1.59 -0.24 -4.83 3.01 0.14 -4.91 119.74 109.36 1nzq s LYS 81 Ca 0.55 -0.35 -0.09 0.00 -1.01 0.00 0.00 55.97 55.06 1nzq s LYS 81 Cb -0.11 -1.40 -0.04 0.00 -1.01 0.00 0.00 37.83 35.27 1nzq s LYS 81 CO 0.51 -0.05 0.13 0.42 0.51 0.00 0.00 175.35 176.87 1nzq s ILE 82 N 0.92 5.00 0.16 2.17 1.01 -1.26 -0.54 121.20 128.66 1nzq s ILE 82 Ca -0.10 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.70 1nzq s ILE 82 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1nzq s ILE 82 CO 0.01 0.35 -0.20 -0.55 0.00 0.00 0.00 174.94 174.55 1nzq s SER 83 N 1.17 2.84 0.12 3.58 0.15 0.66 -4.96 113.70 117.25 1nzq s SER 83 Ca 0.06 -0.83 0.03 0.00 0.70 0.00 0.00 55.95 55.91 1nzq s SER 83 Cb -0.14 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1nzq s SER 83 CO 0.05 0.02 0.17 -0.04 1.20 0.00 0.00 173.24 174.64 1nzq s MET 84 N -2.62 3.12 0.05 5.44 -1.94 -1.26 -0.80 119.30 121.29 1nzq s MET 84 Ca 0.15 -0.69 -0.20 0.00 -1.71 0.00 0.00 55.69 53.24 1nzq s MET 84 Cb -0.07 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.90 1nzq s MET 84 CO 0.07 0.53 0.60 -0.51 -0.01 0.00 0.00 175.02 175.70 1nzq s LEU 85 N -2.86 4.49 -0.22 -0.03 1.43 -1.26 -0.68 118.68 119.54 1nzq s LEU 85 Ca 0.32 1.25 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1nzq s LEU 85 Cb -0.11 -2.94 -0.20 0.00 0.03 0.00 0.00 46.19 42.96 1nzq s LEU 85 CO 0.25 0.19 -0.03 1.21 0.23 0.00 0.00 176.35 178.20 1nzq n GLU 86 N 2.15 0.67 -3.60 1.70 2.13 0.16 -4.68 120.64 119.17 1nzq n GLU 86 Ca -0.08 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.76 1nzq n GLU 86 Cb 0.51 -1.56 -0.06 0.00 0.27 0.00 0.00 31.44 30.59 1nzq n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1nzq s LYS 87 N -2.52 0.74 0.01 5.31 2.47 -1.14 -5.00 119.74 119.60 1nzq s LYS 87 Ca -0.27 0.58 0.04 0.00 -1.56 0.00 0.00 55.97 54.75 1nzq s LYS 87 Cb 0.08 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 1nzq s LYS 87 CO 0.68 -0.15 -0.08 0.42 0.16 0.00 0.00 175.35 176.38 1nzq s ILE 88 N -0.24 3.56 -0.20 5.43 1.01 -1.26 -0.94 121.20 128.55 1nzq s ILE 88 Ca -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1nzq s ILE 88 Cb -0.03 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.95 1nzq s ILE 88 CO 0.01 0.38 0.03 -0.31 0.00 0.00 0.00 174.94 175.05 1nzq s TYR 89 N -1.00 1.16 0.03 3.97 1.51 0.11 -5.01 117.35 118.13 1nzq s TYR 89 Ca 0.17 -0.96 -0.15 0.00 -1.01 0.00 0.00 57.07 55.11 1nzq s TYR 89 Cb -0.11 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 1nzq s TYR 89 CO 0.08 -0.64 0.45 0.42 -1.11 0.00 0.00 175.55 174.75 1nzq s ILE 90 N 1.81 4.95 0.19 2.71 -1.09 -1.26 -1.05 121.20 127.47 1nzq s ILE 90 Ca -0.01 0.90 -0.32 0.00 -2.23 0.00 0.00 60.65 58.99 1nzq s ILE 90 Cb -0.17 -3.75 -0.12 0.00 -1.58 0.00 0.00 42.46 36.83 1nzq s ILE 90 CO -0.09 0.54 1.69 1.57 -1.23 0.00 0.00 174.94 177.42 1nzq n HIS 91 N 1.67 2.63 -0.06 3.97 -0.00 -1.08 -4.84 115.22 117.52 1nzq n HIS 91 Ca -0.12 0.09 0.24 0.00 -0.00 0.00 0.00 57.72 57.92 1nzq n HIS 91 Cb 0.52 -2.65 0.71 0.00 -0.00 0.00 0.00 29.99 28.58 1nzq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1nzq h PRO 92 N 6.63 0.00 -0.59 1.57 0.13 -1.95 -1.81 132.00 135.98 1nzq h PRO 92 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.38 1nzq h PRO 92 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1nzq h PRO 92 CO 0.94 0.00 0.16 0.54 -0.23 0.00 0.00 178.00 179.42 1nzq n ARG 93 N -4.23 2.03 -1.97 0.86 1.74 -1.26 -4.98 116.66 108.85 1nzq n ARG 93 Ca 0.13 -3.17 -0.43 0.00 -0.77 0.00 0.00 57.85 53.62 1nzq n ARG 93 Cb 0.75 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1nzq n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nzq s TYR 94 N -3.30 1.84 -1.14 -1.55 5.04 -0.68 -4.72 117.35 112.84 1nzq s TYR 94 Ca 0.49 0.36 -0.12 0.00 -2.44 0.00 0.00 57.07 55.37 1nzq s TYR 94 Cb 0.43 -4.00 0.22 0.00 0.35 0.00 0.00 41.96 38.96 1nzq s TYR 94 CO 0.03 -3.58 1.25 1.21 -1.34 0.00 0.00 175.55 173.12 1nzq s ASN 95 N 4.73 7.17 0.27 4.32 3.84 -0.57 -4.80 114.94 129.88 1nzq s ASN 95 Ca 0.78 -3.24 0.26 0.00 0.21 0.00 0.00 52.86 50.87 1nzq s ASN 95 Cb -0.29 -2.31 0.82 0.00 -0.55 0.00 0.00 41.25 38.92 1nzq s ASN 95 CO 0.32 -0.54 1.75 4.11 -2.79 0.00 0.00 177.10 179.95 1nzq h TRP 96 N 7.00 0.00 -0.16 0.43 5.08 -1.92 0.12 115.95 126.51 1nzq h TRP 96 Ca 0.24 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.01 1nzq h TRP 96 Cb 0.88 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 1nzq h TRP 96 CO 0.94 0.00 -0.69 0.00 -1.28 0.00 0.00 178.44 177.41 1nzq h ARG 97 N 0.00 0.67 0.00 0.12 3.08 -1.99 -3.43 114.38 112.82 1nzq h ARG 97 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1nzq h ARG 97 Cb 0.68 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1nzq h ARG 97 CO 0.00 1.12 -0.24 -1.91 -1.07 0.00 0.00 179.97 177.87 1nzq n GLU 97 N -3.92 0.13 -0.12 0.04 2.13 -1.24 -4.97 120.64 112.69 1nzq n GLU 97 Ca -0.05 0.05 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1nzq n GLU 97 Cb 0.70 -0.60 0.02 0.00 0.27 0.00 0.00 31.44 31.82 1nzq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1nzq n ASN 98 N -3.22 0.77 -1.74 4.31 0.23 -1.24 -4.93 115.26 109.45 1nzq n ASN 98 Ca -0.03 -1.72 -0.16 0.00 -0.53 0.00 0.00 54.58 52.14 1nzq n ASN 98 Cb 0.13 -0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 37.71 1nzq n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nzq n LEU 99 N -0.30 -1.65 -4.77 -4.53 4.32 0.41 -4.94 117.00 105.54 1nzq n LEU 99 Ca 0.02 0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.64 1nzq n LEU 99 Cb 0.50 -2.36 -0.01 0.00 -1.62 0.00 0.00 43.42 39.93 1nzq n LEU 99 CO 0.00 -0.26 1.18 -0.62 -1.22 0.00 0.00 177.39 176.47 1nzq s ASP 100 N -2.36 6.33 -1.22 -1.43 3.68 -1.21 -2.70 116.67 117.77 1nzq s ASP 100 Ca 0.00 3.04 -0.01 0.00 2.13 0.00 0.00 52.55 57.71 1nzq s ASP 100 Cb 0.00 -2.66 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 1nzq s ASP 100 CO 0.00 -0.91 1.02 0.54 0.13 0.00 0.00 175.17 175.95 1nzq n ARG 101 N 1.01 -6.78 -2.58 4.34 1.74 -1.26 -1.52 116.66 111.61 1nzq n ARG 101 Ca 0.03 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.53 1nzq n ARG 101 Cb 0.38 -5.86 -0.00 0.00 -1.02 0.00 0.00 32.46 25.96 1nzq n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nzq s ASP 102 N -4.22 6.81 -0.03 0.55 3.68 -1.10 -4.44 116.67 117.92 1nzq s ASP 102 Ca 0.08 -2.36 -0.15 0.00 2.13 0.00 0.00 52.55 52.25 1nzq s ASP 102 Cb -0.03 -2.58 0.02 0.00 -1.45 0.00 0.00 42.92 38.88 1nzq s ASP 102 CO 0.73 -1.20 0.32 -0.51 0.13 0.00 0.00 175.17 174.64 1nzq s ILE 103 N 4.29 0.05 -0.09 4.11 2.07 -1.26 -3.90 121.20 126.46 1nzq s ILE 103 Ca 0.53 -0.42 -0.19 0.00 -1.41 0.00 0.00 60.65 59.16 1nzq s ILE 103 Cb 0.04 -0.61 0.04 0.00 0.13 0.00 0.00 42.46 42.06 1nzq s ILE 103 CO 0.06 -0.23 0.47 0.00 -1.91 0.00 0.00 174.94 173.33 1nzq s ALA 104 N -1.17 -1.18 0.03 1.50 0.00 -0.57 -2.63 121.76 117.74 1nzq s ALA 104 Ca -0.12 1.00 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1nzq s ALA 104 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1nzq s ALA 104 CO 0.04 -0.27 -0.08 -0.51 0.00 0.00 0.00 175.76 174.94 1nzq s LEU 105 N -0.62 3.13 -0.06 0.00 1.43 -0.21 -2.02 118.68 120.33 1nzq s LEU 105 Ca -0.07 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1nzq s LEU 105 Cb -0.03 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1nzq s LEU 105 CO 0.04 0.25 -0.09 -0.04 0.23 0.00 0.00 176.35 176.74 1nzq s MET 106 N -1.64 1.39 -0.28 1.70 -1.94 -0.02 -0.71 119.30 117.80 1nzq s MET 106 Ca 0.18 -0.30 -0.13 0.00 -1.71 0.00 0.00 55.69 53.73 1nzq s MET 106 Cb -0.11 -1.21 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1nzq s MET 106 CO 0.09 -0.02 0.29 0.21 -0.01 0.00 0.00 175.02 175.58 1nzq s LYS 107 N 0.78 3.92 0.41 2.03 2.47 -0.12 -0.94 119.74 128.30 1nzq s LYS 107 Ca -0.13 -0.19 -0.23 0.00 -1.56 0.00 0.00 55.97 53.86 1nzq s LYS 107 Cb -0.15 -3.68 -0.09 0.00 -1.46 0.00 0.00 37.83 32.45 1nzq s LYS 107 CO 0.02 -0.26 1.02 -0.51 0.16 0.00 0.00 175.35 175.77 1nzq s LEU 108 N 1.91 4.08 0.09 5.43 1.02 0.01 0.41 118.68 131.64 1nzq s LEU 108 Ca 0.11 1.93 -0.21 0.00 0.02 0.00 0.00 54.13 55.98 1nzq s LEU 108 Cb -0.16 -4.29 -0.11 0.00 0.02 0.00 0.00 46.19 41.65 1nzq s LEU 108 CO 0.11 -0.47 1.70 0.11 0.02 0.00 0.00 176.35 177.82 1nzq h LYS 109 N 2.32 0.15 -6.05 1.70 1.57 -1.18 -3.42 116.57 111.67 1nzq h LYS 109 Ca -0.48 -0.02 -0.58 0.00 -1.87 0.00 0.00 60.65 57.70 1nzq h LYS 109 Cb 1.21 -0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.22 1nzq h LYS 109 CO 0.62 0.17 -0.84 0.21 -0.57 0.00 0.00 179.45 179.03 1nzq s LYS 110 N -5.93 1.41 0.48 3.15 2.20 -1.26 -4.98 119.74 114.80 1nzq s LYS 110 Ca -0.13 -0.91 -0.24 0.00 -0.36 0.00 0.00 55.97 54.33 1nzq s LYS 110 Cb 0.07 -1.50 -0.07 0.00 -1.51 0.00 0.00 37.83 34.82 1nzq s LYS 110 CO 0.68 0.39 1.35 -2.14 -0.36 0.00 0.00 175.35 175.27 1nzq s PRO 111 N -1.09 3.55 -0.00 4.03 0.02 -1.26 -4.91 135.00 135.33 1nzq s PRO 111 Ca 0.07 2.24 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 1nzq s PRO 111 Cb -0.09 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 1nzq s PRO 111 CO 0.01 -0.87 0.29 0.08 -0.33 0.00 0.00 177.00 176.19 1nzq s VAL 112 N -1.28 5.26 -0.02 3.83 1.01 -0.41 -5.03 120.40 123.75 1nzq s VAL 112 Ca 0.64 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 1nzq s VAL 112 Cb -0.40 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1nzq s VAL 112 CO 0.50 0.43 0.63 0.00 0.00 0.00 0.00 175.10 176.66 1nzq s ALA 113 N -1.23 3.43 0.66 5.51 0.00 -1.26 -4.80 121.76 124.07 1nzq s ALA 113 Ca 0.26 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1nzq s ALA 113 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1nzq s ALA 113 CO 0.14 0.07 1.05 -0.06 0.00 0.00 0.00 175.76 176.96 1nzq s PHE 114 N 0.14 3.24 0.00 0.00 0.08 -1.26 -4.92 117.98 115.25 1nzq s PHE 114 Ca 0.33 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1nzq s PHE 114 Cb -0.18 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1nzq s PHE 114 CO 0.18 -1.07 0.00 -1.13 -0.10 0.00 0.00 175.22 173.10 1nzq n SER 115 N -2.90 0.00 0.26 1.36 3.41 0.18 -4.93 113.62 111.01 1nzq n SER 115 Ca 0.07 -0.72 0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1nzq n SER 115 Cb 0.54 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.18 1nzq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nzq h ASP 116 N 0.00 0.00 -0.01 4.04 3.45 -1.99 -3.03 116.42 118.89 1nzq h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1nzq h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1nzq h ASP 116 CO 0.00 0.13 -0.13 -1.22 -1.57 0.00 0.00 179.24 176.45 1nzq n TYR 117 N -3.53 0.00 -3.85 4.55 4.02 -1.26 -4.72 117.16 112.38 1nzq n TYR 117 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.59 1nzq n TYR 117 Cb 0.28 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.43 1nzq n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nzq s ILE 118 N -1.21 1.00 -0.25 -0.72 1.01 -1.14 -4.08 121.20 115.81 1nzq s ILE 118 Ca 0.11 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1nzq s ILE 118 Cb 0.09 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.32 1nzq s ILE 118 CO 0.21 -0.04 0.65 -2.28 0.00 0.00 0.00 174.94 173.49 1nzq s HIS 119 N 1.66 -0.76 0.45 3.97 2.46 0.29 -0.64 115.29 122.72 1nzq s HIS 119 Ca -0.01 1.79 -0.22 0.00 0.47 0.00 0.00 55.06 57.09 1nzq s HIS 119 Cb -0.17 0.29 -0.08 0.00 -0.13 0.00 0.00 32.58 32.49 1nzq s HIS 119 CO -0.07 -0.37 1.06 -1.25 -2.47 0.00 0.00 174.74 171.64 1nzq s PRO 120 N 0.53 3.90 0.44 2.88 0.04 -1.26 -2.12 135.00 139.42 1nzq s PRO 120 Ca -0.01 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1nzq s PRO 120 Cb -0.05 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1nzq s PRO 120 CO -0.02 -0.37 0.69 0.54 0.04 0.00 0.00 177.00 177.88 1nzq s VAL 121 N -1.80 4.42 0.36 -0.36 0.11 -0.42 -4.93 120.40 117.79 1nzq s VAL 121 Ca 0.64 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1nzq s VAL 121 Cb -0.20 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1nzq s VAL 121 CO 0.25 -0.51 0.61 0.00 -3.33 0.00 0.00 175.10 172.13 1nzq s LEU 123 N -4.15 3.73 0.59 0.00 1.02 -1.26 -1.48 118.68 117.13 1nzq s LEU 123 Ca 0.43 0.20 -0.17 0.00 0.02 0.00 0.00 54.13 54.61 1nzq s LEU 123 Cb -0.10 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1nzq s LEU 123 CO 0.36 0.38 1.09 -2.16 0.02 0.00 0.00 176.35 176.04 1nzq s PRO 124 N -0.85 3.22 0.44 1.29 0.04 -1.26 -4.93 135.00 132.95 1nzq s PRO 124 Ca 0.13 1.39 0.07 0.00 0.04 0.00 0.00 61.00 62.63 1nzq s PRO 124 Cb -0.12 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1nzq s PRO 124 CO 0.03 -0.91 0.31 0.16 0.04 0.00 0.00 177.00 176.63 1nzq s ASP 125 N -2.34 4.74 0.21 6.66 3.84 -1.26 -4.91 116.67 123.61 1nzq s ASP 125 Ca 0.68 -0.97 -0.11 0.00 -0.00 0.00 0.00 52.55 52.14 1nzq s ASP 125 Cb -0.20 -0.32 0.28 0.00 -1.38 0.00 0.00 42.92 41.31 1nzq s ASP 125 CO 0.33 -0.72 1.69 -0.09 -0.00 0.00 0.00 175.17 176.38 1nzq h ARG 126 N 1.10 0.18 0.10 2.11 2.43 -1.97 -2.82 114.38 115.52 1nzq h ARG 126 Ca -0.41 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1nzq h ARG 126 Cb 1.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1nzq h ARG 126 CO 0.62 0.12 -0.08 0.93 -1.51 0.00 0.00 179.97 180.04 1nzq h GLU 127 N 0.18 -0.19 -1.16 0.20 3.07 -2.04 -1.24 114.58 113.41 1nzq h GLU 127 Ca 0.31 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1nzq h GLU 127 Cb 0.48 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1nzq h GLU 127 CO -0.45 -0.12 0.00 2.41 -1.40 0.00 0.00 179.01 179.45 1nzq n THR 128 N -5.19 0.04 0.00 1.13 -1.04 -1.06 -1.06 114.28 107.09 1nzq n THR 128 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1nzq n THR 128 Cb 0.12 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1nzq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nzq n ALA 129 N 0.76 0.00 -0.20 2.41 0.00 -0.47 -1.53 120.51 121.48 1nzq n ALA 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1nzq n ALA 129 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.50 1nzq n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nzq h SER 129 N 0.00 1.00 0.01 0.00 0.02 -1.36 -3.36 113.55 109.86 1nzq h SER 129 Ca 0.00 -0.32 -0.18 0.00 -0.84 0.00 0.00 61.79 60.45 1nzq h SER 129 Cb 0.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1nzq h SER 129 CO 0.00 1.08 -2.18 0.18 -1.14 0.00 0.00 176.83 174.77 1nzq n LEU 129 N -4.21 0.01 -3.90 5.07 4.32 -0.58 -4.71 117.00 113.01 1nzq n LEU 129 Ca 0.02 0.01 -0.42 0.00 -0.02 0.00 0.00 56.01 55.60 1nzq n LEU 129 Cb 0.35 0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 42.38 1nzq n LEU 129 CO 0.44 0.24 2.35 -0.11 -1.22 0.00 0.00 177.39 179.10 1nzq n LEU 130 N -2.51 5.60 -3.98 2.23 7.94 -1.26 -4.83 117.00 120.20 1nzq n LEU 130 Ca -0.18 -3.72 -0.17 0.00 -1.11 0.00 0.00 56.01 50.82 1nzq n LEU 130 Cb 0.86 -1.54 -0.15 0.00 0.53 0.00 0.00 43.42 43.12 1nzq n LEU 130 CO 0.44 0.38 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.59 1nzq s GLN 131 N 4.04 0.56 0.24 1.96 -0.21 -1.26 -4.93 119.66 120.06 1nzq s GLN 131 Ca 0.52 -0.23 -0.31 0.00 0.02 0.00 0.00 55.36 55.36 1nzq s GLN 131 Cb 0.12 -0.55 -0.14 0.00 1.00 0.00 0.00 33.01 33.44 1nzq s GLN 131 CO 0.01 0.13 1.38 0.00 -2.12 0.00 0.00 175.29 174.69 1nzq n ALA 132 N 3.00 0.96 0.00 6.09 0.00 -1.26 -1.26 120.51 128.04 1nzq n ALA 132 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nzq n ALA 132 Cb 0.57 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1nzq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nzq n GLY 133 N 2.11 2.86 3.74 0.00 0.00 0.08 -4.93 105.19 109.04 1nzq n GLY 133 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1nzq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nzq s TYR 134 N -2.85 3.62 0.06 1.61 1.51 -0.39 -4.67 117.35 116.24 1nzq s TYR 134 Ca 0.00 1.63 -0.09 0.00 -1.01 0.00 0.00 57.07 57.60 1nzq s TYR 134 Cb 0.00 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1nzq s TYR 134 CO 0.00 -0.50 0.37 0.15 -1.11 0.00 0.00 175.55 174.46 1nzq s LYS 135 N -0.42 3.72 0.48 -0.62 1.02 -1.26 -0.34 119.74 122.32 1nzq s LYS 135 Ca 0.49 0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.61 1nzq s LYS 135 Cb -0.29 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1nzq s LYS 135 CO 0.35 0.59 0.02 0.20 -0.92 0.00 0.00 175.35 175.58 1nzq s GLY 136 N -1.73 2.90 -0.05 -3.33 0.00 0.15 -4.85 107.32 100.41 1nzq s GLY 136 Ca 0.31 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.35 1nzq s GLY 136 CO 0.17 -2.13 -0.13 -1.60 0.00 0.00 0.00 173.10 169.42 1nzq s ARG 137 N -3.84 1.58 -0.03 2.90 3.52 0.54 -0.54 118.95 123.09 1nzq s ARG 137 Ca 0.12 -0.44 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 1nzq s ARG 137 Cb 0.03 -1.34 -0.02 0.00 -1.56 0.00 0.00 34.95 32.05 1nzq s ARG 137 CO 0.06 0.10 -0.24 0.08 -0.81 0.00 0.00 175.30 174.49 1nzq s VAL 138 N 0.42 2.20 0.04 7.11 1.01 -0.02 -0.65 120.40 130.51 1nzq s VAL 138 Ca -0.10 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.88 1nzq s VAL 138 Cb -0.13 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1nzq s VAL 138 CO 0.03 0.58 -0.15 0.42 0.00 0.00 0.00 175.10 175.98 1nzq s THR 139 N -0.61 1.21 0.00 3.92 -4.23 -1.25 -1.38 115.64 113.31 1nzq s THR 139 Ca 0.10 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1nzq s THR 139 Cb -0.10 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1nzq s THR 139 CO -0.01 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1nzq n GLY 140 N 1.86 0.51 1.54 3.99 0.00 -0.85 -4.52 105.19 107.72 1nzq n GLY 140 Ca -0.18 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1nzq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nzq n TRP 141 N -0.03 1.75 -1.30 1.61 8.01 -1.26 -1.63 117.44 124.59 1nzq n TRP 141 Ca 0.00 -1.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.00 1nzq n TRP 141 Cb 0.00 -0.50 0.14 0.00 -2.01 0.00 0.00 31.31 28.94 1nzq n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nzq n GLY 142 N -0.15 -1.87 3.70 6.99 0.00 -1.25 -4.54 105.19 108.07 1nzq n GLY 142 Ca 0.30 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1nzq n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nzq n ASN 143 N -3.80 2.33 0.05 1.61 3.02 -0.63 -3.41 115.26 114.44 1nzq n ASN 143 Ca 0.10 1.05 0.06 0.00 -0.03 0.00 0.00 54.58 55.77 1nzq n ASN 143 Cb 0.37 -1.49 -0.07 0.00 -0.61 0.00 0.00 39.78 37.98 1nzq n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nzq n LEU 144 N -0.08 0.64 -4.11 3.41 4.77 -1.06 -1.39 117.00 119.18 1nzq n LEU 144 Ca 0.08 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1nzq n LEU 144 Cb 0.41 0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1nzq n LEU 144 CO 0.57 0.00 -0.41 -1.59 -1.33 0.00 0.00 177.39 174.63 1nzq s LYS 145 N -3.19 0.65 0.22 3.23 -2.85 -1.26 -4.35 119.74 112.19 1nzq s LYS 145 Ca -0.03 -0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 53.71 1nzq s LYS 145 Cb 0.10 -0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.40 1nzq s LYS 145 CO 0.82 0.06 1.44 -2.00 0.10 0.00 0.00 175.35 175.77 1nzq s GLU 146 N -2.10 4.28 0.00 1.78 2.12 -1.26 -5.02 118.70 118.50 1nzq s GLU 146 Ca -0.04 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.55 1nzq s GLU 146 Cb -0.07 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1nzq s GLU 146 CO -0.00 -0.42 0.00 -2.37 -0.54 0.00 0.00 175.26 171.92 1nzq n THR 147 N 2.71 0.00 0.00 -1.70 5.66 -1.26 -5.06 114.28 114.63 1nzq n THR 147 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1nzq n THR 147 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1nzq n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nzq n GLY 150 N 0.00 1.18 3.52 1.09 0.00 -1.26 -5.15 105.19 104.58 1nzq n GLY 150 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1nzq n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzq s GLN 151 N 0.00 1.81 0.39 1.61 -0.21 -1.26 -2.58 119.66 119.43 1nzq s GLN 151 Ca 0.00 -1.78 -0.18 0.00 0.02 0.00 0.00 55.36 53.42 1nzq s GLN 151 Cb 0.00 -1.81 -0.10 0.00 1.00 0.00 0.00 33.01 32.10 1nzq s GLN 151 CO 0.00 0.27 0.86 -1.25 -2.12 0.00 0.00 175.29 173.05 1nzq s PRO 152 N -3.57 4.11 0.17 2.91 0.04 -1.26 -4.93 135.00 132.47 1nzq s PRO 152 Ca 0.31 0.91 0.14 0.00 0.04 0.00 0.00 61.00 62.40 1nzq s PRO 152 Cb -0.03 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1nzq s PRO 152 CO 0.16 0.03 1.20 1.03 0.04 0.00 0.00 177.00 179.46 1nzq h SER 153 N 1.96 0.00 -5.42 6.66 0.87 -1.97 -3.44 113.55 112.22 1nzq h SER 153 Ca -0.48 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.90 1nzq h SER 153 Cb 1.18 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.99 1nzq h SER 153 CO 0.63 0.64 -0.61 0.54 -0.53 0.00 0.00 176.83 177.49 1nzq s VAL 154 N -2.89 0.09 0.18 2.23 0.11 -1.26 -2.57 120.40 116.29 1nzq s VAL 154 Ca 0.01 -1.86 -0.33 0.00 -2.93 0.00 0.00 61.98 56.87 1nzq s VAL 154 Cb 0.08 -2.05 -0.15 0.00 -1.53 0.00 0.00 36.38 32.73 1nzq s VAL 154 CO 0.78 -0.43 1.25 -0.11 -3.33 0.00 0.00 175.10 173.27 1nzq n LEU 155 N -0.11 1.99 -4.76 2.54 7.94 -0.43 -4.86 117.00 119.30 1nzq n LEU 155 Ca -0.05 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.73 1nzq n LEU 155 Cb 0.64 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.25 1nzq n LEU 155 CO 0.30 -1.04 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.20 1nzq s GLN 156 N -0.27 2.74 -0.01 1.96 -1.52 -0.65 -1.29 119.66 120.63 1nzq s GLN 156 Ca 0.73 -1.00 -0.05 0.00 -1.95 0.00 0.00 55.36 53.09 1nzq s GLN 156 Cb -0.80 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 1nzq s GLN 156 CO 0.51 0.45 0.10 0.54 -0.25 0.00 0.00 175.29 176.64 1nzq s VAL 157 N -1.86 0.06 -0.11 1.09 0.11 -0.06 -2.01 120.40 117.63 1nzq s VAL 157 Ca 0.30 -0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 58.68 1nzq s VAL 157 Cb -0.09 -0.33 0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1nzq s VAL 157 CO 0.22 -0.29 0.38 0.54 -3.33 0.00 0.00 175.10 172.62 1nzq s VAL 158 N -0.97 0.01 -0.19 2.04 0.11 -0.48 -1.58 120.40 119.34 1nzq s VAL 158 Ca -0.11 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 1nzq s VAL 158 Cb -0.06 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1nzq s VAL 158 CO 0.01 -0.06 0.10 0.20 -3.33 0.00 0.00 175.10 172.01 1nzq s ASN 159 N -0.21 5.90 0.01 3.54 0.02 -1.26 -0.84 114.94 122.10 1nzq s ASN 159 Ca -0.04 0.15 0.01 0.00 -1.02 0.00 0.00 52.86 51.96 1nzq s ASN 159 Cb -0.03 -2.02 -0.01 0.00 0.02 0.00 0.00 41.25 39.20 1nzq s ASN 159 CO 0.02 0.17 -0.05 -0.76 0.02 0.00 0.00 177.10 176.50 1nzq s LEU 160 N 0.40 2.10 0.25 0.60 1.43 0.30 -4.93 118.68 118.84 1nzq s LEU 160 Ca 0.05 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1nzq s LEU 160 Cb -0.12 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.84 1nzq s LEU 160 CO -0.01 -0.06 0.81 -2.16 0.23 0.00 0.00 176.35 175.17 1nzq s PRO 161 N -0.67 4.43 0.39 1.29 0.04 -1.26 0.34 135.00 139.56 1nzq s PRO 161 Ca -0.03 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 1nzq s PRO 161 Cb -0.05 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 1nzq s PRO 161 CO -0.00 0.39 1.16 0.42 0.04 0.00 0.00 177.00 179.01 1nzq s ILE 162 N -1.49 3.20 0.03 0.56 1.01 0.54 -1.19 121.20 123.86 1nzq s ILE 162 Ca 0.44 1.02 0.04 0.00 0.00 0.00 0.00 60.65 62.14 1nzq s ILE 162 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1nzq s ILE 162 CO 0.23 0.10 -0.05 -0.69 0.00 0.00 0.00 174.94 174.53 1nzq s VAL 163 N -1.42 3.77 0.28 2.92 1.01 -0.66 -0.74 120.40 125.56 1nzq s VAL 163 Ca 0.56 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1nzq s VAL 163 Cb -0.30 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.26 1nzq s VAL 163 CO 0.38 0.30 1.39 -0.62 0.00 0.00 0.00 175.10 176.55 1nzq n GLU 164 N 1.24 2.14 -0.28 2.72 4.71 -1.26 -4.62 120.64 125.29 1nzq n GLU 164 Ca -0.14 0.76 0.10 0.00 -0.01 0.00 0.00 57.16 57.86 1nzq n GLU 164 Cb 0.52 -2.40 0.24 0.00 -1.01 0.00 0.00 31.44 28.80 1nzq n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1nzq h ARG 165 N 3.70 0.28 -0.73 3.49 2.43 -1.98 -1.75 114.38 119.83 1nzq h ARG 165 Ca -0.46 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 1nzq h ARG 165 Cb 1.27 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 1nzq h ARG 165 CO 0.72 0.19 0.46 -1.35 -1.51 0.00 0.00 179.97 178.47 1nzq h PRO 166 N 0.29 0.87 -0.51 0.20 0.11 -2.00 -1.41 132.00 129.56 1nzq h PRO 166 Ca 0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.51 1nzq h PRO 166 Cb 0.91 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1nzq h PRO 166 CO -0.56 0.58 0.18 0.28 -0.21 0.00 0.00 178.00 178.27 1nzq h VAL 167 N 0.90 1.22 -0.11 3.15 2.07 -1.70 -1.87 116.25 119.92 1nzq h VAL 167 Ca 0.29 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1nzq h VAL 167 Cb 0.02 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1nzq h VAL 167 CO -0.11 0.27 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 1nzq h LYS 169 N 0.02 1.16 0.00 0.00 3.64 -1.10 -2.49 116.57 117.81 1nzq h LYS 169 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nzq h LYS 169 Cb 0.07 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1nzq h LYS 169 CO -0.10 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 1nzq n ASP 170 N -4.48 0.00 -0.79 4.20 8.00 -0.72 -3.33 116.55 119.44 1nzq n ASP 170 Ca 0.12 -0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.37 1nzq n ASP 170 Cb 0.07 -0.17 0.21 0.00 -0.02 0.00 0.00 41.12 41.21 1nzq n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nzq n SER 171 N -1.17 2.50 -3.87 -2.24 3.41 -0.94 -4.99 113.62 106.32 1nzq n SER 171 Ca 0.15 -1.81 -0.09 0.00 -0.26 0.00 0.00 58.87 56.86 1nzq n SER 171 Cb 0.15 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1nzq n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nzq s THR 172 N -2.05 0.05 -0.18 6.66 -1.32 -1.21 -4.87 115.64 112.72 1nzq s THR 172 Ca 0.30 -1.15 0.22 0.00 -1.21 0.00 0.00 61.69 59.85 1nzq s THR 172 Cb 0.20 -1.75 -0.10 0.00 -1.51 0.00 0.00 72.50 69.34 1nzq s THR 172 CO 0.33 -0.22 0.88 0.54 -2.21 0.00 0.00 174.62 173.95 1nzq n ARG 173 N -0.27 0.62 -1.97 7.08 1.74 -1.26 -4.92 116.66 117.68 1nzq n ARG 173 Ca -0.08 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 1nzq n ARG 173 Cb 0.63 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 1nzq n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nzq s ILE 174 N -3.41 2.47 -0.38 0.55 -1.09 -1.26 -4.93 121.20 113.15 1nzq s ILE 174 Ca -0.03 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.54 1nzq s ILE 174 Cb 0.11 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1nzq s ILE 174 CO 0.82 0.09 1.45 -0.60 -1.23 0.00 0.00 174.94 175.47 1nzq s ARG 175 N -1.16 3.61 0.43 2.79 3.52 -1.26 -5.00 118.95 121.88 1nzq s ARG 175 Ca 0.55 1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 57.00 1nzq s ARG 175 Cb -0.43 -4.02 -0.10 0.00 -1.56 0.00 0.00 34.95 28.84 1nzq s ARG 175 CO 0.51 -1.52 0.99 0.42 -0.81 0.00 0.00 175.30 174.88 1nzq s ILE 176 N 5.43 4.13 0.38 4.11 -1.09 -1.26 -4.84 121.20 128.06 1nzq s ILE 176 Ca 0.63 1.40 0.04 0.00 -2.23 0.00 0.00 60.65 60.48 1nzq s ILE 176 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1nzq s ILE 176 CO 0.31 -0.22 0.10 0.42 -1.23 0.00 0.00 174.94 174.32 1nzq s THR 177 N -2.01 0.81 -0.35 2.92 -4.23 -1.26 -5.03 115.64 106.49 1nzq s THR 177 Ca 0.62 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.39 1nzq s THR 177 Cb -0.13 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.50 1nzq s THR 177 CO 0.18 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.47 1nzq h ASP 178 N 1.89 0.00 -0.24 3.99 3.45 -2.03 -2.87 116.42 120.61 1nzq h ASP 178 Ca -0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.07 1nzq h ASP 178 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1nzq h ASP 178 CO 0.62 0.00 0.01 0.59 -1.57 0.00 0.00 179.24 178.89 1nzq n ASN 179 N -2.43 2.91 -4.12 6.45 5.03 -1.26 -4.85 115.26 116.99 1nzq n ASN 179 Ca 0.02 -2.38 -0.09 0.00 0.87 0.00 0.00 54.58 52.99 1nzq n ASN 179 Cb 0.24 -0.58 -0.10 0.00 -1.02 0.00 0.00 39.78 38.33 1nzq n ASN 179 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1nzq s MET 180 N -1.68 0.87 0.10 3.52 -1.94 -1.09 -0.81 119.30 118.27 1nzq s MET 180 Ca 0.22 -1.36 -0.22 0.00 -1.71 0.00 0.00 55.69 52.61 1nzq s MET 180 Cb 0.17 0.25 0.06 0.00 2.01 0.00 0.00 34.83 37.31 1nzq s MET 180 CO 0.06 -0.24 0.54 -0.59 -0.01 0.00 0.00 175.02 174.78 1nzq s PHE 181 N -4.01 -0.45 0.20 -0.03 -0.12 -0.88 -4.78 117.98 107.92 1nzq s PHE 181 Ca 0.20 0.35 0.11 0.00 -0.05 0.00 0.00 56.93 57.54 1nzq s PHE 181 Cb 0.07 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1nzq s PHE 181 CO -0.01 -0.74 -0.22 0.00 -0.05 0.00 0.00 175.22 174.20 1nzq s ALA 183 N -1.91 -0.23 0.00 0.00 0.00 0.05 -1.65 121.76 118.02 1nzq s ALA 183 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1nzq s ALA 183 Cb -0.07 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1nzq s ALA 183 CO 0.10 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1nzq n GLY 184 N 1.78 2.84 3.86 0.00 0.00 -0.34 -2.30 105.19 111.03 1nzq n GLY 184 Ca -0.21 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1nzq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nzq s TYR 184 N -2.00 3.40 0.64 1.61 1.51 -1.26 -4.52 117.35 116.72 1nzq s TYR 184 Ca 0.00 1.12 -0.09 0.00 -1.01 0.00 0.00 57.07 57.09 1nzq s TYR 184 Cb 0.00 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 1nzq s TYR 184 CO 0.00 0.09 1.00 0.15 -1.11 0.00 0.00 175.55 175.68 1nzq s LYS 185 N -3.12 3.03 0.39 -0.62 1.02 -1.26 -4.82 119.74 114.36 1nzq s LYS 185 Ca 0.52 0.32 0.10 0.00 0.02 0.00 0.00 55.97 56.94 1nzq s LYS 185 Cb -0.10 -2.14 0.88 0.00 -0.52 0.00 0.00 37.83 35.95 1nzq s LYS 185 CO 0.21 -0.79 1.93 -1.35 -0.92 0.00 0.00 175.35 174.42 1nzq h PRO 186 N -0.38 0.59 -0.60 -1.68 0.11 -1.96 -2.14 132.00 125.94 1nzq h PRO 186 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nzq h PRO 186 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nzq h PRO 186 CO 0.62 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.40 1nzq n ASP 186 N -4.50 2.83 -0.92 -2.05 5.68 -1.26 -4.20 116.55 112.13 1nzq n ASP 186 Ca 0.13 -2.26 0.12 0.00 -0.50 0.00 0.00 54.79 52.28 1nzq n ASP 186 Cb 0.39 -0.44 0.21 0.00 -1.14 0.00 0.00 41.12 40.14 1nzq n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nzq n GLU 186 N 0.47 2.24 0.00 0.11 1.02 -0.80 -4.98 120.64 118.70 1nzq n GLU 186 Ca 0.14 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1nzq n GLU 186 Cb 0.55 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1nzq n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nzq n GLY 186 N 1.35 1.04 3.89 0.62 0.00 -1.26 -4.90 105.19 105.93 1nzq n GLY 186 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1nzq n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzq s LYS 186 N 0.00 3.38 0.20 1.61 1.02 -1.26 -5.09 119.74 119.60 1nzq s LYS 186 Ca 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.42 1nzq s LYS 186 Cb 0.00 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1nzq s LYS 186 CO 0.00 -0.56 0.30 2.89 -0.92 0.00 0.00 175.35 177.06 1nzq n ARG 187 N -2.64 0.43 0.00 1.68 1.85 -1.26 -4.73 116.66 112.00 1nzq n ARG 187 Ca 0.04 -1.46 0.00 0.00 -1.00 0.00 0.00 57.85 55.44 1nzq n ARG 187 Cb 0.55 1.48 0.00 0.00 -1.05 0.00 0.00 32.46 33.44 1nzq n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nzq n GLY 188 N -0.31 4.49 3.64 2.89 0.00 -1.26 -4.92 105.19 109.72 1nzq n GLY 188 Ca -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 1nzq n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nzq s ASP 189 N 0.00 -0.11 0.78 1.61 3.68 -1.03 -4.67 116.67 116.92 1nzq s ASP 189 Ca 0.00 -0.18 -0.04 0.00 2.13 0.00 0.00 52.55 54.46 1nzq s ASP 189 Cb 0.00 0.25 0.15 0.00 -1.45 0.00 0.00 42.92 41.86 1nzq s ASP 189 CO 0.00 -0.45 1.07 0.00 0.13 0.00 0.00 175.17 175.92 1nzq s ALA 190 N -2.66 3.39 0.35 3.66 0.00 -1.26 -0.33 121.76 124.91 1nzq s ALA 190 Ca 0.13 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.27 1nzq s ALA 190 Cb 0.02 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1nzq s ALA 190 CO -0.03 -1.69 0.79 0.00 0.00 0.00 0.00 175.76 174.83 1nzq n GLU 192 N -0.52 1.38 0.00 0.00 4.71 -1.26 -1.55 120.64 123.40 1nzq n GLU 192 Ca -0.07 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 1nzq n GLU 192 Cb 0.60 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1nzq n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nzq n GLY 193 N 1.67 2.90 0.01 0.62 0.00 -1.26 -1.60 105.19 107.53 1nzq n GLY 193 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1nzq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nzq n ASP 194 N 0.00 0.68 -4.30 1.61 10.43 -0.59 -3.91 116.55 120.47 1nzq n ASP 194 Ca 0.00 -0.44 -0.48 0.00 2.57 0.00 0.00 54.79 56.44 1nzq n ASP 194 Cb 0.00 0.74 -0.03 0.00 1.84 0.00 0.00 41.12 43.67 1nzq n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1nzq n SER 195 N -1.72 -1.10 0.00 -2.24 7.64 -1.26 -1.04 113.62 113.90 1nzq n SER 195 Ca 0.03 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1nzq n SER 195 Cb 0.38 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1nzq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nzq n GLY 196 N 1.90 2.79 3.72 0.23 0.00 -0.78 -0.53 105.19 112.52 1nzq n GLY 196 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1nzq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nzq s GLY 197 N -1.93 2.24 0.07 -0.02 0.00 -0.21 -3.42 107.32 104.06 1nzq s GLY 197 Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 44.72 45.32 1nzq s GLY 197 CO 0.00 1.23 0.65 2.56 0.00 0.00 0.00 173.10 177.53 1nzq s PRO 198 N -4.04 4.35 -0.39 2.90 0.04 -1.26 -0.87 135.00 135.73 1nzq s PRO 198 Ca 0.73 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1nzq s PRO 198 Cb -0.28 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.02 1nzq s PRO 198 CO 0.47 0.52 0.22 0.12 0.04 0.00 0.00 177.00 178.37 1nzq s PHE 199 N -0.77 3.26 0.18 0.56 5.36 -0.15 -3.79 117.98 122.63 1nzq s PHE 199 Ca 0.32 -1.10 0.09 0.00 -0.96 0.00 0.00 56.93 55.28 1nzq s PHE 199 Cb -0.20 -2.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.87 1nzq s PHE 199 CO 0.21 -0.70 -0.07 0.14 -1.46 0.00 0.00 175.22 173.33 1nzq s VAL 200 N 1.52 3.29 0.08 3.12 -7.23 0.18 -0.94 120.40 120.43 1nzq s VAL 200 Ca 0.02 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1nzq s VAL 200 Cb -0.20 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1nzq s VAL 200 CO 0.06 -0.12 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.57 1nzq s MET 201 N -2.89 0.81 -0.25 4.82 -1.94 -0.06 -0.34 119.30 119.45 1nzq s MET 201 Ca 0.26 -1.06 -0.08 0.00 -1.71 0.00 0.00 55.69 53.10 1nzq s MET 201 Cb -0.09 -0.61 -0.03 0.00 2.01 0.00 0.00 34.83 36.12 1nzq s MET 201 CO 0.16 0.11 0.08 0.21 -0.01 0.00 0.00 175.02 175.57 1nzq s LYS 202 N -2.34 3.69 0.10 2.03 2.20 -1.26 -0.57 119.74 123.59 1nzq s LYS 202 Ca 0.02 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 1nzq s LYS 202 Cb -0.06 -3.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1nzq s LYS 202 CO 0.01 -0.17 1.35 0.45 -0.36 0.00 0.00 175.35 176.63 1nzq s SER 203 N 1.59 6.88 0.00 1.43 0.15 0.33 -4.89 113.70 119.18 1nzq s SER 203 Ca 0.06 2.25 0.30 0.00 0.70 0.00 0.00 55.95 59.27 1nzq s SER 203 Cb -0.15 -2.58 1.46 0.00 -1.71 0.00 0.00 66.02 63.03 1nzq s SER 203 CO 0.04 -0.62 1.99 -0.81 1.20 0.00 0.00 173.24 175.05 1nzq n PRO 204 N 3.99 0.75 -0.09 5.44 -0.04 -1.26 -1.08 135.00 142.70 1nzq n PRO 204 Ca 0.11 -0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 1nzq n PRO 204 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 1nzq n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1nzq h PHE 204 N 0.39 0.02 0.00 0.54 0.04 -1.97 -3.41 116.94 112.55 1nzq h PHE 204 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1nzq h PHE 204 Cb 0.26 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1nzq h PHE 204 CO 0.00 1.33 0.00 0.27 -0.60 0.00 0.00 178.31 179.31 1nzq n ASN 204 N -4.47 1.64 -0.47 2.17 0.23 -1.25 -5.02 115.26 108.09 1nzq n ASN 204 Ca -0.24 -1.71 -0.06 0.00 -0.53 0.00 0.00 54.58 52.04 1nzq n ASN 204 Cb 0.63 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.30 1nzq n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nzq n ASN 205 N -0.35 -4.73 -4.94 0.53 3.02 -0.24 -5.01 115.26 103.53 1nzq n ASN 205 Ca 0.00 0.15 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 1nzq n ASN 205 Cb 0.21 -2.78 -0.03 0.00 -0.61 0.00 0.00 39.78 36.57 1nzq n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1nzq s ARG 206 N -2.13 3.48 -0.11 3.52 0.52 -1.25 -4.77 118.95 118.21 1nzq s ARG 206 Ca 0.00 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 1nzq s ARG 206 Cb 0.00 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 1nzq s ARG 206 CO 0.00 0.41 0.41 -1.58 0.02 0.00 0.00 175.30 174.57 1nzq s TRP 207 N -1.90 3.53 0.01 -0.53 0.52 -1.26 -0.52 118.94 118.79 1nzq s TRP 207 Ca 0.37 0.82 0.08 0.00 0.02 0.00 0.00 56.10 57.39 1nzq s TRP 207 Cb -0.10 -2.45 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1nzq s TRP 207 CO 0.30 0.26 -0.23 0.71 0.02 0.00 0.00 176.95 178.00 1nzq s TYR 208 N 0.33 2.08 -0.31 -1.98 2.02 0.26 -2.10 117.35 117.65 1nzq s TYR 208 Ca 0.23 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.34 1nzq s TYR 208 Cb -0.15 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1nzq s TYR 208 CO 0.09 0.03 0.58 -1.14 -1.57 0.00 0.00 175.55 173.53 1nzq s GLN 209 N -0.83 3.86 -0.20 -0.62 0.74 -0.55 -0.88 119.66 121.18 1nzq s GLN 209 Ca 0.09 0.18 0.16 0.00 0.05 0.00 0.00 55.36 55.84 1nzq s GLN 209 Cb -0.09 -3.73 -0.24 0.00 1.10 0.00 0.00 33.01 30.05 1nzq s GLN 209 CO 0.00 -0.55 0.04 -1.33 -0.55 0.00 0.00 175.29 172.90 1nzq n MET 210 N 5.78 0.73 -4.30 1.67 2.81 -0.12 -4.24 117.12 119.46 1nzq n MET 210 Ca -0.03 0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.70 1nzq n MET 210 Cb 0.49 -1.51 -0.09 0.00 -0.71 0.00 0.00 33.22 31.40 1nzq n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1nzq s GLY 211 N -5.56 1.99 -0.03 3.03 0.00 -0.91 -1.68 107.32 104.16 1nzq s GLY 211 Ca -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.80 1nzq s GLY 211 CO 0.79 -1.53 -0.05 -0.42 0.00 0.00 0.00 173.10 171.90 1nzq s ILE 212 N -3.68 0.50 -0.17 0.90 1.01 -1.16 -0.98 121.20 117.62 1nzq s ILE 212 Ca 0.37 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 1nzq s ILE 212 Cb 0.05 -0.50 -0.07 0.00 0.01 0.00 0.00 42.46 41.96 1nzq s ILE 212 CO 0.18 0.19 2.16 0.52 0.00 0.00 0.00 174.94 177.99 1nzq n VAL 213 N 3.67 0.44 -0.03 2.92 0.31 -0.05 -1.36 118.33 124.23 1nzq n VAL 213 Ca -0.22 -0.36 -0.03 0.00 -0.01 0.00 0.00 64.34 63.71 1nzq n VAL 213 Cb 0.53 -2.42 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 1nzq n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nzq n SER 214 N 10.47 0.95 -3.84 4.52 2.88 -0.59 -1.87 113.62 126.13 1nzq n SER 214 Ca 0.28 0.15 -0.09 0.00 -1.33 0.00 0.00 58.87 57.89 1nzq n SER 214 Cb 0.42 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.35 1nzq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nzq s TRP 215 N -1.92 0.00 0.36 0.66 1.48 -1.01 -4.95 118.94 113.57 1nzq s TRP 215 Ca -0.11 -0.38 -0.14 0.00 -1.06 0.00 0.00 56.10 54.41 1nzq s TRP 215 Cb 0.02 0.41 0.06 0.00 -1.16 0.00 0.00 33.47 32.79 1nzq s TRP 215 CO 0.16 -1.01 0.76 0.41 -4.06 0.00 0.00 176.95 173.21 1nzq n GLY 216 N -0.38 1.02 2.68 3.67 0.00 -1.26 -0.74 105.19 110.17 1nzq n GLY 216 Ca -0.06 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1nzq n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nzq s GLU 217 N -2.08 0.81 0.00 1.61 2.02 -1.26 -5.05 118.70 114.74 1nzq s GLU 217 Ca 0.15 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1nzq s GLU 217 Cb -0.05 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.26 1nzq s GLU 217 CO 0.11 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1nzq n GLY 219 N 4.41 -1.10 3.07 -1.39 0.00 -1.26 -4.83 105.19 104.10 1nzq n GLY 219 Ca 0.02 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1nzq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nzq n ASP 221 N 4.43 -1.47 -4.88 0.00 2.03 -1.26 -4.69 116.55 110.70 1nzq n ASP 221 Ca -0.19 -0.82 -0.35 0.00 0.52 0.00 0.00 54.79 53.96 1nzq n ASP 221 Cb 0.51 -4.03 -0.05 0.00 -0.72 0.00 0.00 41.12 36.82 1nzq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1nzq s ARG 221 N -6.04 3.57 0.34 -0.67 0.52 -1.26 -4.95 118.95 110.46 1nzq s ARG 221 Ca 0.06 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 1nzq s ARG 221 Cb -0.03 -3.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.24 1nzq s ARG 221 CO 0.81 0.66 1.44 -0.51 0.02 0.00 0.00 175.30 177.73 1nzq s ASP 222 N -1.64 6.51 0.00 0.23 -0.00 -1.26 -2.24 116.67 118.27 1nzq s ASP 222 Ca 0.26 2.89 0.00 0.00 -0.00 0.00 0.00 52.55 55.70 1nzq s ASP 222 Cb -0.13 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 1nzq s ASP 222 CO 0.15 -0.76 0.00 0.61 -0.00 0.00 0.00 175.17 175.17 1nzq n GLY 223 N 0.95 1.63 3.54 0.21 0.00 -1.26 -5.02 105.19 105.25 1nzq n GLY 223 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1nzq n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nzq s LYS 224 N -0.10 1.96 0.06 1.61 -0.14 -0.95 -4.78 119.74 117.41 1nzq s LYS 224 Ca 0.00 -1.29 0.02 0.00 -1.36 0.00 0.00 55.97 53.34 1nzq s LYS 224 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 1nzq s LYS 224 CO 0.00 0.44 -0.07 0.71 -0.76 0.00 0.00 175.35 175.67 1nzq s TYR 225 N -1.63 0.72 0.22 3.18 1.51 -1.26 -4.71 117.35 115.38 1nzq s TYR 225 Ca 0.24 -0.71 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1nzq s TYR 225 Cb -0.09 -0.43 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1nzq s TYR 225 CO 0.14 -0.14 0.94 0.20 -1.11 0.00 0.00 175.55 175.58 1nzq s GLY 226 N -2.26 3.10 -0.09 0.71 0.00 -0.97 -4.67 107.32 103.14 1nzq s GLY 226 Ca -0.00 0.60 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 1nzq s GLY 226 CO -0.03 1.21 -0.00 -1.36 0.00 0.00 0.00 173.10 172.92 1nzq s PHE 227 N -1.03 3.14 0.06 1.90 0.40 0.08 -0.77 117.98 121.76 1nzq s PHE 227 Ca 0.41 0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1nzq s PHE 227 Cb -0.26 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1nzq s PHE 227 CO 0.31 0.41 -0.16 0.71 0.70 0.00 0.00 175.22 177.20 1nzq s TYR 228 N -0.73 1.37 0.03 0.36 1.51 0.48 -1.55 117.35 118.83 1nzq s TYR 228 Ca 0.11 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1nzq s TYR 228 Cb -0.12 -0.79 -0.06 0.00 -0.11 0.00 0.00 41.96 40.88 1nzq s TYR 228 CO 0.02 0.08 1.43 0.99 -1.11 0.00 0.00 175.55 176.96 1nzq s THR 229 N -1.04 3.55 -0.91 -0.71 2.01 -0.46 -2.06 115.64 116.01 1nzq s THR 229 Ca 0.02 0.99 -0.24 0.00 0.31 0.00 0.00 61.69 62.76 1nzq s THR 229 Cb -0.09 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1nzq s THR 229 CO 0.02 0.01 1.73 -2.28 -0.69 0.00 0.00 174.62 173.42 1nzq s HIS 230 N 2.17 2.07 0.25 4.92 2.46 0.01 -2.99 115.29 124.16 1nzq s HIS 230 Ca 0.65 0.10 -0.04 0.00 0.47 0.00 0.00 55.06 56.24 1nzq s HIS 230 Cb -0.33 -4.31 0.46 0.00 -0.13 0.00 0.00 32.58 28.27 1nzq s HIS 230 CO 0.28 -1.87 1.73 0.28 -2.47 0.00 0.00 174.74 172.69 1nzq h VAL 231 N 7.01 0.67 -0.93 0.89 2.07 -1.64 -2.58 116.25 121.73 1nzq h VAL 231 Ca 0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1nzq h VAL 231 Cb 1.02 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1nzq h VAL 231 CO 1.29 0.08 0.60 0.15 0.02 0.00 0.00 177.57 179.71 1nzq h PHE 232 N 0.46 1.19 -0.46 1.57 3.57 -1.88 -1.58 116.94 119.81 1nzq h PHE 232 Ca 0.42 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.01 1nzq h PHE 232 Cb 0.63 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1nzq h PHE 232 CO -0.16 0.76 0.31 0.00 -2.23 0.00 0.00 178.31 176.99 1nzq h ARG 233 N 1.27 0.29 -0.74 1.11 2.47 -1.84 -0.95 114.38 115.99 1nzq h ARG 233 Ca 0.34 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1nzq h ARG 233 Cb -0.12 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1nzq h ARG 233 CO -0.07 0.19 0.00 1.28 0.56 0.00 0.00 179.97 181.93 1nzq n LEU 234 N -4.47 4.00 -0.32 3.04 4.77 -0.70 -4.50 117.00 118.82 1nzq n LEU 234 Ca 0.07 -2.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.06 1nzq n LEU 234 Cb 0.31 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.07 1nzq n LEU 234 CO 0.35 0.99 1.20 0.50 -1.33 0.00 0.00 177.39 179.09 1nzq h LYS 235 N 4.32 0.94 -0.96 3.23 1.63 -0.25 -1.90 116.57 123.58 1nzq h LYS 235 Ca 0.00 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1nzq h LYS 235 Cb 1.01 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.37 1nzq h LYS 235 CO 0.01 0.62 0.63 0.87 -3.45 0.00 0.00 179.45 178.13 1nzq h LYS 236 N 0.97 1.23 -0.53 1.90 1.57 -1.79 0.01 116.57 119.93 1nzq h LYS 236 Ca 0.40 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 1nzq h LYS 236 Cb 0.24 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1nzq h LYS 236 CO -0.20 0.82 0.05 2.35 -0.57 0.00 0.00 179.45 181.90 1nzq h TRP 237 N 1.27 0.96 0.13 -1.35 7.01 -1.69 -1.41 115.95 120.87 1nzq h TRP 237 Ca 0.36 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1nzq h TRP 237 Cb -0.10 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.67 1nzq h TRP 237 CO -0.01 0.87 -0.21 0.82 -2.79 0.00 0.00 178.44 177.13 1nzq h ILE 238 N 0.78 0.53 -0.89 2.65 2.04 -0.60 -2.04 117.51 119.98 1nzq h ILE 238 Ca 0.16 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 1nzq h ILE 238 Cb 0.45 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1nzq h ILE 238 CO 0.02 0.00 0.58 1.56 0.00 0.00 0.00 178.15 180.31 1nzq h GLN 239 N -0.41 1.09 0.22 2.37 4.20 -0.92 -2.27 115.11 119.40 1nzq h GLN 239 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1nzq h GLN 239 Cb 0.42 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1nzq h GLN 239 CO -0.11 0.72 -0.21 0.87 -0.67 0.00 0.00 178.83 179.44 1nzq h LYS 240 N 1.12 -0.44 -0.96 1.46 1.57 -0.77 0.42 116.57 118.97 1nzq h LYS 240 Ca 0.35 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.21 1nzq h LYS 240 Cb -0.01 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1nzq h LYS 240 CO -0.10 -0.29 0.62 0.28 -0.57 0.00 0.00 179.45 179.39 1nzq h VAL 241 N -0.46 1.12 -0.17 0.50 2.07 -1.07 -1.73 116.25 116.52 1nzq h VAL 241 Ca -0.00 -0.40 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 1nzq h VAL 241 Cb 0.42 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1nzq h VAL 241 CO -0.04 0.21 -0.67 0.40 0.02 0.00 0.00 177.57 177.49 1nzq h ILE 242 N 1.16 1.30 0.00 4.57 2.04 -1.18 -2.52 117.51 122.88 1nzq h ILE 242 Ca 0.40 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 1nzq h ILE 242 Cb 0.08 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1nzq h ILE 242 CO -0.15 0.59 -0.19 0.44 0.00 0.00 0.00 178.15 178.85 1nzq h ASP 243 N 0.46 0.00 -0.02 1.72 3.32 -0.68 -3.10 116.42 118.13 1nzq h ASP 243 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1nzq h ASP 243 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1nzq h ASP 243 CO 0.14 0.19 -0.40 0.00 -1.72 0.00 0.00 179.24 177.45 1nzq n GLN 244 N -3.40 1.41 0.00 3.56 1.13 -0.67 -5.09 117.38 114.31 1nzq n GLN 244 Ca -0.00 -1.16 0.00 0.00 -1.94 0.00 0.00 57.00 53.90 1nzq n GLN 244 Cb 0.38 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1nzq n GLN 244 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81