#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq4 s SER 4 N 0.00 6.90 0.19 3.14 0.01 -1.26 -5.09 113.70 117.59 1sq4 s SER 4 Ca 0.00 1.32 0.07 0.00 1.31 0.00 0.00 55.95 58.64 1sq4 s SER 4 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1sq4 s SER 4 CO 0.00 -0.07 0.07 -0.94 0.41 0.00 0.00 173.24 172.71 1sq4 s SER 5 N -1.95 5.11 -0.05 2.44 1.04 -1.26 -5.02 113.70 114.01 1sq4 s SER 5 Ca 0.48 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.57 1sq4 s SER 5 Cb -0.14 -1.20 0.02 0.00 0.10 0.00 0.00 66.02 64.81 1sq4 s SER 5 CO 0.19 0.06 0.13 -0.31 0.98 0.00 0.00 173.24 174.29 1sq4 s TYR 6 N -1.83 -0.14 0.38 5.02 2.02 -1.26 -4.72 117.35 116.81 1sq4 s TYR 6 Ca 0.30 0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 57.13 1sq4 s TYR 6 Cb -0.09 -0.02 -0.09 0.00 -0.40 0.00 0.00 41.96 41.36 1sq4 s TYR 6 CO 0.21 -0.11 1.03 -0.47 -1.57 0.00 0.00 175.55 174.64 1sq4 s TYR 7 N 0.57 3.36 -0.11 2.71 6.14 -0.79 -4.86 117.35 124.37 1sq4 s TYR 7 Ca -0.04 1.67 -0.05 0.00 0.64 0.00 0.00 57.07 59.29 1sq4 s TYR 7 Cb -0.06 -3.08 0.05 0.00 0.42 0.00 0.00 41.96 39.29 1sq4 s TYR 7 CO -0.03 -0.44 0.24 0.00 0.64 0.00 0.00 175.55 175.97 1sq4 s ALA 8 N -1.65 -0.52 0.72 3.97 0.00 -1.26 -4.93 121.76 118.09 1sq4 s ALA 8 Ca 0.56 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1sq4 s ALA 8 Cb -0.21 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1sq4 s ALA 8 CO 0.27 -0.34 1.15 -2.30 0.00 0.00 0.00 175.76 174.54 1sq4 n PRO 9 N 4.61 0.61 0.00 0.00 -0.02 -1.26 -4.94 135.00 134.00 1sq4 n PRO 9 Ca -0.19 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1sq4 n PRO 9 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1sq4 n PRO 9 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1sq4 n HIS 10 N -2.55 0.00 0.00 6.00 8.25 -1.26 -5.08 115.22 120.58 1sq4 n HIS 10 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1sq4 n HIS 10 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1sq4 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sq4 n GLY 11 N 0.42 2.01 5.58 -1.41 0.00 -1.26 -4.97 105.19 105.56 1sq4 n GLY 11 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1sq4 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 12 N 0.00 -1.58 2.44 -0.02 0.00 -1.26 -4.64 105.19 100.13 1sq4 n GLY 12 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1sq4 n GLY 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sq4 n HIS 13 N -1.52 -1.22 -1.69 1.61 1.44 -1.26 -3.08 115.22 109.49 1sq4 n HIS 13 Ca 0.00 -3.03 -0.40 0.00 -2.01 0.00 0.00 57.72 52.29 1sq4 n HIS 13 Cb 0.09 0.53 0.03 0.00 0.12 0.00 0.00 29.99 30.76 1sq4 n HIS 13 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1sq4 n PRO 14 N 0.31 1.63 -2.83 -1.40 -0.04 -1.26 -5.15 135.00 126.24 1sq4 n PRO 14 Ca 0.16 0.59 -0.22 0.00 -0.04 0.00 0.00 63.50 63.99 1sq4 n PRO 14 Cb 0.68 -2.39 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 1sq4 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sq4 s ALA 15 N -1.29 4.25 -0.27 0.55 0.00 -1.26 -5.23 121.76 118.51 1sq4 s ALA 15 Ca 0.67 -2.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1sq4 s ALA 15 Cb -0.46 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1sq4 s ALA 15 CO 0.53 -1.18 0.18 -0.51 0.00 0.00 0.00 175.76 174.77 1sq4 s LEU 19 N -4.91 4.00 -0.05 0.00 1.43 -1.26 -5.33 118.68 112.57 1sq4 s LEU 19 Ca 0.65 0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 53.50 1sq4 s LEU 19 Cb -0.05 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1sq4 s LEU 19 CO 0.42 -0.03 0.55 -1.48 0.23 0.00 0.00 176.35 176.04 1sq4 s LEU 20 N 1.62 -0.14 0.00 1.79 0.05 -1.26 -5.16 118.68 115.59 1sq4 s LEU 20 Ca 0.07 0.55 0.00 0.00 0.05 0.00 0.00 54.13 54.80 1sq4 s LEU 20 Cb -0.16 2.09 0.00 0.00 -2.05 0.00 0.00 46.19 46.07 1sq4 s LEU 20 CO 0.09 -0.53 0.00 0.35 -0.55 0.00 0.00 176.35 175.72 1sq4 n THR 21 N 1.17 0.00 -3.62 5.48 -2.24 -1.26 -5.12 114.28 108.70 1sq4 n THR 21 Ca -0.19 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1sq4 n THR 21 Cb 0.57 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1sq4 n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sq4 s ASP 22 N -1.02 -0.32 0.00 3.42 2.15 -1.26 -5.02 116.67 114.62 1sq4 s ASP 22 Ca 0.00 0.51 0.17 0.00 0.43 0.00 0.00 52.55 53.66 1sq4 s ASP 22 Cb 0.00 0.47 1.04 0.00 -0.30 0.00 0.00 42.92 44.13 1sq4 s ASP 22 CO 0.00 -0.19 1.65 0.54 -0.17 0.00 0.00 175.17 177.00 1sq4 n ARG 23 N 1.40 0.97 -0.81 4.34 1.74 -1.26 -5.14 116.66 117.89 1sq4 n ARG 23 Ca -0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 1sq4 n ARG 23 Cb 0.57 -1.28 0.18 0.00 -1.02 0.00 0.00 32.46 30.91 1sq4 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq4 s ALA 24 N -2.00 1.00 0.00 7.54 0.00 -1.26 -4.79 121.76 122.24 1sq4 s ALA 24 Ca 0.26 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1sq4 s ALA 24 Cb 0.12 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1sq4 s ALA 24 CO 0.20 -2.90 0.00 1.19 0.00 0.00 0.00 175.76 174.25 1sq4 n PHE 26 N -4.30 0.00 -3.57 0.00 3.72 -1.26 -4.95 117.46 107.10 1sq4 n PHE 26 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1sq4 n PHE 26 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1sq4 n PHE 26 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sq4 n THR 27 N 0.00 0.00 1.41 4.37 -2.24 0.80 -5.01 114.28 113.61 1sq4 n THR 27 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1sq4 n THR 27 Cb 0.00 -0.04 0.45 0.00 -2.10 0.00 0.00 70.33 68.64 1sq4 n THR 27 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sq4 n GLU 28 N -0.02 1.67 0.00 -0.78 0.00 -1.26 -4.09 120.64 116.16 1sq4 n GLU 28 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 57.16 56.12 1sq4 n GLU 28 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1sq4 n GLU 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sq4 n ALA 29 N 0.25 1.46 -3.80 -1.84 0.00 -1.26 -4.94 120.51 110.38 1sq4 n ALA 29 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1sq4 n ALA 29 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1sq4 n ALA 29 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1sq4 s TYR 30 N -1.46 -0.03 -0.12 0.00 1.13 -1.26 -1.75 117.35 113.86 1sq4 s TYR 30 Ca 0.00 -0.50 -0.06 0.00 -1.41 0.00 0.00 57.07 55.10 1sq4 s TYR 30 Cb 0.00 0.72 0.05 0.00 -1.10 0.00 0.00 41.96 41.64 1sq4 s TYR 30 CO 0.00 -1.35 0.28 0.00 -2.51 0.00 0.00 175.55 171.97 1sq4 s ALA 31 N -3.31 -0.67 -0.15 9.51 0.00 -0.65 -0.14 121.76 126.35 1sq4 s ALA 31 Ca 0.13 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 1sq4 s ALA 31 Cb -0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1sq4 s ALA 31 CO 0.09 -0.27 -0.09 0.08 0.00 0.00 0.00 175.76 175.56 1sq4 s VAL 32 N 1.45 3.33 -0.24 0.00 1.01 -1.26 -0.44 120.40 124.24 1sq4 s VAL 32 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1sq4 s VAL 32 Cb -0.10 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1sq4 s VAL 32 CO -0.09 0.51 -0.09 -0.63 0.00 0.00 0.00 175.10 174.79 1sq4 s ILE 33 N 0.47 1.86 0.76 2.22 1.01 0.12 -4.32 121.20 123.31 1sq4 s ILE 33 Ca -0.07 -1.37 -0.13 0.00 0.00 0.00 0.00 60.65 59.08 1sq4 s ILE 33 Cb -0.15 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.37 1sq4 s ILE 33 CO 0.04 -0.00 1.16 -2.84 0.00 0.00 0.00 174.94 173.30 1sq4 s PRO 34 N 1.26 2.07 0.55 2.79 0.02 -1.26 -0.79 135.00 139.64 1sq4 s PRO 34 Ca -0.06 1.57 0.31 0.00 0.02 0.00 0.00 61.00 62.84 1sq4 s PRO 34 Cb -0.19 -1.85 1.57 0.00 0.02 0.00 0.00 34.50 34.06 1sq4 s PRO 34 CO -0.06 -1.84 2.09 1.57 -0.33 0.00 0.00 177.00 178.43 1sq4 h LYS 35 N -0.64 0.00 0.00 5.54 2.10 -1.90 -2.93 116.57 118.74 1sq4 h LYS 35 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1sq4 h LYS 35 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1sq4 h LYS 35 CO 0.49 0.08 0.00 0.41 -2.00 0.00 0.00 179.45 178.44 1sq4 n GLY 36 N -0.58 -0.31 3.17 0.07 0.00 -1.26 -4.82 105.19 101.46 1sq4 n GLY 36 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1sq4 n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sq4 n VAL 37 N -1.08 3.71 0.00 1.61 0.31 -1.11 -5.11 118.33 116.67 1sq4 n VAL 37 Ca 0.05 -3.58 0.00 0.00 -0.01 0.00 0.00 64.34 60.80 1sq4 n VAL 37 Cb 0.03 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 1sq4 n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1sq4 n ARG 39 N 7.28 -1.10 0.04 5.55 5.12 -1.26 -4.93 116.66 127.36 1sq4 n ARG 39 Ca 0.50 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.30 1sq4 n ARG 39 Cb 0.43 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.64 1sq4 n ARG 39 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1sq4 h ASP 40 N 0.00 -0.12 0.00 0.55 3.45 -1.80 -3.22 116.42 115.28 1sq4 h ASP 40 Ca 0.00 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1sq4 h ASP 40 Cb 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1sq4 h ASP 40 CO 0.00 0.36 0.00 2.30 -1.57 0.00 0.00 179.24 180.33 1sq4 n ILE 41 N -4.93 0.00 -0.02 0.35 -6.64 -1.26 -2.34 119.36 104.52 1sq4 n ILE 41 Ca -0.09 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.89 1sq4 n ILE 41 Cb 0.26 -0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.14 1sq4 n ILE 41 CO 0.00 0.00 0.00 0.55 -1.77 0.00 0.00 176.55 175.33 1sq4 n VAL 42 N -0.55 0.82 -1.37 7.28 3.14 -1.22 -5.05 118.33 121.39 1sq4 n VAL 42 Ca 0.01 -0.90 -0.30 0.00 -2.96 0.00 0.00 64.34 60.18 1sq4 n VAL 42 Cb 0.01 0.59 0.10 0.00 -1.06 0.00 0.00 33.84 33.47 1sq4 n VAL 42 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sq4 s THR 43 N -0.82 3.23 0.47 1.55 -4.23 -0.99 -4.79 115.64 110.06 1sq4 s THR 43 Ca 0.00 0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1sq4 s THR 43 Cb 0.00 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1sq4 s THR 43 CO 0.00 -0.52 0.04 -0.44 -0.54 0.00 0.00 174.62 173.15 1sq4 s SER 44 N -3.58 3.68 0.06 3.99 0.01 -1.26 -5.02 113.70 111.57 1sq4 s SER 44 Ca 0.61 -1.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.21 1sq4 s SER 44 Cb -0.16 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1sq4 s SER 44 CO 0.56 -0.82 0.06 -1.00 0.41 0.00 0.00 173.24 172.44 1sq4 s HIS 45 N -2.96 0.37 0.05 2.43 3.76 -1.26 -4.58 115.29 113.09 1sq4 s HIS 45 Ca 0.15 -0.87 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 1sq4 s HIS 45 Cb 0.03 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.44 1sq4 s HIS 45 CO 0.08 -0.44 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.92 1sq4 s LEU 46 N -2.87 2.23 0.56 0.89 1.43 -1.26 -5.13 118.68 114.52 1sq4 s LEU 46 Ca 0.06 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 1sq4 s LEU 46 Cb 0.06 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1sq4 s LEU 46 CO -0.10 -0.11 1.30 -2.84 0.23 0.00 0.00 176.35 174.83 1sq4 s PRO 47 N -1.46 3.12 -1.05 1.29 0.02 -1.26 -3.05 135.00 132.61 1sq4 s PRO 47 Ca -0.05 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1sq4 s PRO 47 Cb -0.09 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1sq4 s PRO 47 CO 0.01 -1.16 0.00 1.19 -0.33 0.00 0.00 177.00 176.71 1sq4 n PHE 48 N -1.16 -0.18 -4.69 6.54 3.72 -1.26 -4.93 117.46 115.49 1sq4 n PHE 48 Ca 0.11 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.19 1sq4 n PHE 48 Cb 0.47 -2.20 -0.16 0.00 -0.94 0.00 0.00 39.48 36.64 1sq4 n PHE 48 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1sq4 s TRP 49 N -2.44 2.70 -0.11 1.38 0.52 -1.17 -4.40 118.94 115.41 1sq4 s TRP 49 Ca 0.00 -1.19 -0.12 0.00 0.02 0.00 0.00 56.10 54.82 1sq4 s TRP 49 Cb 0.00 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 1sq4 s TRP 49 CO 0.00 -0.53 0.26 -0.51 0.02 0.00 0.00 176.95 176.19 1sq4 s ASP 50 N 0.75 6.49 -0.10 2.95 1.01 -0.12 -4.95 116.67 122.70 1sq4 s ASP 50 Ca -0.08 0.58 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 1sq4 s ASP 50 Cb -0.16 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.62 1sq4 s ASP 50 CO 0.00 0.25 0.04 0.59 0.21 0.00 0.00 175.17 176.26 1sq4 n ASN 51 N 2.69 -6.15 0.00 0.27 3.02 -1.26 -1.03 115.26 112.80 1sq4 n ASN 51 Ca -0.15 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 1sq4 n ASN 51 Cb 0.53 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 1sq4 n ASN 51 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1sq4 n ARG 53 N 1.53 -0.25 -3.75 3.52 1.85 -0.91 -1.85 116.66 116.80 1sq4 n ARG 53 Ca -0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.58 1sq4 n ARG 53 Cb 0.29 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.53 1sq4 n ARG 53 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1sq4 s TRP 55 N -2.00 0.23 0.20 2.89 0.51 -0.50 0.11 118.94 120.38 1sq4 s TRP 55 Ca 0.00 0.11 -0.14 0.00 -2.12 0.00 0.00 56.10 53.95 1sq4 s TRP 55 Cb 0.00 -0.51 -0.08 0.00 -0.81 0.00 0.00 33.47 32.08 1sq4 s TRP 55 CO 0.00 -0.20 0.61 0.08 -0.51 0.00 0.00 176.95 176.93 1sq4 s VAL 56 N 1.80 4.80 -0.40 4.03 1.01 -1.26 -1.19 120.40 129.19 1sq4 s VAL 56 Ca 0.01 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.86 1sq4 s VAL 56 Cb -0.12 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1sq4 s VAL 56 CO -0.03 0.10 0.43 -0.51 0.00 0.00 0.00 175.10 175.09 1sq4 s ILE 57 N -1.64 -0.34 0.18 2.22 1.10 -0.69 -5.00 121.20 117.03 1sq4 s ILE 57 Ca 0.43 -1.25 -0.03 0.00 -0.51 0.00 0.00 60.65 59.29 1sq4 s ILE 57 Cb -0.14 -0.64 -0.03 0.00 0.15 0.00 0.00 42.46 41.80 1sq4 s ILE 57 CO 0.20 -0.59 0.16 0.00 -2.11 0.00 0.00 174.94 172.60 1sq4 s ALA 58 N 1.11 0.74 -1.43 1.50 0.00 -1.26 -3.22 121.76 119.20 1sq4 s ALA 58 Ca 0.22 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1sq4 s ALA 58 Cb -0.09 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.13 1sq4 s ALA 58 CO -0.06 -0.59 0.29 0.54 0.00 0.00 0.00 175.76 175.94 1sq4 n ARG 59 N -0.21 -1.81 -0.18 0.00 1.74 -1.23 -4.82 116.66 110.15 1sq4 n ARG 59 Ca -0.02 0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 1sq4 n ARG 59 Cb 0.64 -3.87 0.42 0.00 -1.02 0.00 0.00 32.46 28.63 1sq4 n ARG 59 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1sq4 h PRO 60 N -1.91 0.57 -4.28 5.56 0.11 -1.92 -3.42 132.00 126.71 1sq4 h PRO 60 Ca -0.66 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.26 1sq4 h PRO 60 Cb 1.39 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.20 1sq4 h PRO 60 CO 0.64 0.38 -0.69 -0.51 -0.21 0.00 0.00 178.00 177.61 1sq4 s LEU 61 N -9.57 2.41 1.06 2.35 1.02 -1.26 -4.96 118.68 109.73 1sq4 s LEU 61 Ca -0.09 -0.84 -0.12 0.00 0.02 0.00 0.00 54.13 53.10 1sq4 s LEU 61 Cb 0.20 0.09 0.23 0.00 0.02 0.00 0.00 46.19 46.73 1sq4 s LEU 61 CO 0.77 -0.47 1.07 -0.94 0.02 0.00 0.00 176.35 176.80 1sq4 s SER 62 N -2.47 1.96 0.00 2.29 1.04 -1.26 -4.59 113.70 110.66 1sq4 s SER 62 Ca 0.01 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1sq4 s SER 62 Cb 0.02 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1sq4 s SER 62 CO -0.06 -3.57 0.00 0.61 0.98 0.00 0.00 173.24 171.20 1sq4 n GLY 63 N -0.25 0.35 3.50 7.32 0.00 -1.26 -4.65 105.19 110.19 1sq4 n GLY 63 Ca 0.04 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1sq4 n GLY 63 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sq4 n PHE 64 N 3.79 3.45 -2.74 1.61 -0.00 -1.26 -4.48 117.46 117.83 1sq4 n PHE 64 Ca 0.00 -2.09 -0.04 0.00 -0.00 0.00 0.00 57.45 55.32 1sq4 n PHE 64 Cb 0.00 -2.56 0.07 0.00 -0.00 0.00 0.00 39.48 36.99 1sq4 n PHE 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1sq4 n ALA 65 N 11.15 2.70 -1.14 3.13 0.00 -1.26 -4.85 120.51 130.24 1sq4 n ALA 65 Ca 0.47 -2.35 0.06 0.00 0.00 0.00 0.00 53.44 51.62 1sq4 n ALA 65 Cb 0.45 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 19.08 1sq4 n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sq4 n GLU 66 N -0.62 1.14 0.00 0.00 1.02 -1.26 -3.49 120.64 117.43 1sq4 n GLU 66 Ca 0.02 -1.96 -0.17 0.00 -0.02 0.00 0.00 57.16 55.03 1sq4 n GLU 66 Cb 0.83 -1.15 -0.13 0.00 -0.02 0.00 0.00 31.44 30.97 1sq4 n GLU 66 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1sq4 h THR 67 N 1.80 1.55 -2.11 2.62 2.02 -1.96 -3.47 112.91 113.36 1sq4 h THR 67 Ca 0.00 -2.24 -0.54 0.00 0.77 0.00 0.00 66.41 64.39 1sq4 h THR 67 Cb 1.03 2.98 -0.08 0.00 -1.74 0.00 0.00 68.15 70.33 1sq4 h THR 67 CO 0.00 0.63 -0.59 -0.36 0.37 0.00 0.00 175.52 175.56 1sq4 s PHE 68 N -2.77 2.77 -0.02 3.16 0.08 -1.26 -4.42 117.98 115.52 1sq4 s PHE 68 Ca -0.15 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1sq4 s PHE 68 Cb 0.01 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1sq4 s PHE 68 CO 0.78 0.52 0.04 -1.54 -0.10 0.00 0.00 175.22 174.92 1sq4 s SER 69 N -3.75 0.01 -0.03 1.36 1.04 -0.68 -4.70 113.70 106.95 1sq4 s SER 69 Ca 0.34 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.86 1sq4 s SER 69 Cb -0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1sq4 s SER 69 CO 0.22 -0.08 -0.12 -1.58 0.98 0.00 0.00 173.24 172.66 1sq4 s GLN 70 N 0.61 1.28 0.11 4.02 0.74 -1.20 0.34 119.66 125.56 1sq4 s GLN 70 Ca -0.05 -0.42 0.05 0.00 0.05 0.00 0.00 55.36 55.00 1sq4 s GLN 70 Cb -0.07 -1.15 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 1sq4 s GLN 70 CO -0.02 0.15 -0.13 0.71 -0.55 0.00 0.00 175.29 175.45 1sq4 s TYR 71 N 0.16 1.32 -0.37 1.67 2.02 -0.19 -1.71 117.35 120.26 1sq4 s TYR 71 Ca -0.04 -0.56 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 1sq4 s TYR 71 Cb -0.10 -0.70 0.11 0.00 -0.40 0.00 0.00 41.96 40.87 1sq4 s TYR 71 CO 0.01 0.11 0.10 0.42 -1.57 0.00 0.00 175.55 174.62 1sq4 s ILE 72 N -2.07 2.04 -0.02 2.71 1.01 -0.33 -0.64 121.20 123.89 1sq4 s ILE 72 Ca 0.07 -2.35 -0.21 0.00 0.00 0.00 0.00 60.65 58.16 1sq4 s ILE 72 Cb -0.05 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1sq4 s ILE 72 CO 0.02 -0.66 0.60 -0.69 0.00 0.00 0.00 174.94 174.21 1sq4 s VAL 73 N 0.81 4.96 -0.24 2.92 1.01 0.01 -1.41 120.40 128.45 1sq4 s VAL 73 Ca 0.12 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 1sq4 s VAL 73 Cb -0.20 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1sq4 s VAL 73 CO -0.09 0.39 -0.08 -0.70 0.00 0.00 0.00 175.10 174.61 1sq4 s GLU 74 N 0.02 2.79 -0.17 2.72 2.12 0.12 -1.73 118.70 124.57 1sq4 s GLU 74 Ca 0.31 -1.00 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1sq4 s GLU 74 Cb -0.18 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1sq4 s GLU 74 CO 0.17 -0.40 0.02 -0.51 -0.54 0.00 0.00 175.26 174.00 1sq4 s LEU 75 N 1.30 3.59 0.70 2.70 1.43 -0.22 -2.15 118.68 126.02 1sq4 s LEU 75 Ca -0.00 -0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1sq4 s LEU 75 Cb -0.17 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1sq4 s LEU 75 CO -0.05 0.17 1.04 0.00 0.23 0.00 0.00 176.35 177.73 1sq4 s ALA 76 N 0.38 3.03 0.25 4.21 0.00 -0.77 -1.28 121.76 127.58 1sq4 s ALA 76 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1sq4 s ALA 76 Cb -0.13 -2.76 -0.14 0.00 0.00 0.00 0.00 23.12 20.09 1sq4 s ALA 76 CO 0.01 -1.23 1.14 -2.30 0.00 0.00 0.00 175.76 173.39 1sq4 n PRO 77 N -2.94 1.47 -0.96 0.00 -0.02 -1.26 -0.04 135.00 131.24 1sq4 n PRO 77 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1sq4 n PRO 77 Cb 0.59 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1sq4 n PRO 77 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1sq4 n ASN 78 N 1.59 -3.03 -4.90 2.55 5.15 0.15 -4.99 115.26 111.79 1sq4 n ASN 78 Ca 0.11 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.81 1sq4 n ASN 78 Cb 0.30 -1.32 0.05 0.00 -0.53 0.00 0.00 39.78 38.28 1sq4 n ASN 78 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sq4 s GLY 79 N -2.00 1.62 0.00 8.20 0.00 0.94 -4.73 107.32 111.35 1sq4 s GLY 79 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1sq4 s GLY 79 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.53 1sq4 n GLY 80 N -2.94 0.75 3.57 0.20 0.00 -0.19 -0.34 105.19 106.24 1sq4 n GLY 80 Ca 0.07 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1sq4 n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sq4 s SER 81 N -4.00 -0.40 0.00 1.61 0.15 -0.23 -0.95 113.70 109.89 1sq4 s SER 81 Ca 0.00 0.43 0.21 0.00 0.70 0.00 0.00 55.95 57.29 1sq4 s SER 81 Cb 0.00 0.33 0.14 0.00 -1.71 0.00 0.00 66.02 64.78 1sq4 s SER 81 CO 0.00 -0.37 1.16 0.47 1.20 0.00 0.00 173.24 175.69 1sq4 n ASP 82 N 0.73 2.66 -3.12 5.45 8.00 -1.26 -2.73 116.55 126.28 1sq4 n ASP 82 Ca -0.11 -1.83 -0.17 0.00 0.71 0.00 0.00 54.79 53.39 1sq4 n ASP 82 Cb 0.58 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1sq4 n ASP 82 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sq4 n LYS 83 N 1.02 0.94 -0.05 -1.24 5.02 -1.26 -4.87 118.16 117.71 1sq4 n LYS 83 Ca 0.12 -3.12 -0.10 0.00 -2.02 0.00 0.00 58.31 53.20 1sq4 n LYS 83 Cb 0.52 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1sq4 n LYS 83 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1sq4 h PRO 84 N 3.17 0.29 -5.66 1.97 0.13 -1.81 -3.43 132.00 126.66 1sq4 h PRO 84 Ca 0.06 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.52 1sq4 h PRO 84 Cb 0.98 -0.06 -0.16 0.00 0.13 0.00 0.00 31.00 31.88 1sq4 h PRO 84 CO 0.44 0.19 -0.61 -2.00 -0.23 0.00 0.00 178.00 175.78 1sq4 s GLU 85 N -6.17 3.37 -0.02 0.86 2.56 -1.26 -4.98 118.70 113.06 1sq4 s GLU 85 Ca -0.13 -0.41 0.16 0.00 0.00 0.00 0.00 54.97 54.59 1sq4 s GLU 85 Cb 0.09 -2.92 -0.24 0.00 2.00 0.00 0.00 34.13 33.06 1sq4 s GLU 85 CO 0.69 0.51 0.40 1.04 -0.56 0.00 0.00 175.26 177.35 1sq4 n GLN 86 N 2.76 0.72 -3.20 4.30 1.13 -1.26 -4.91 117.38 116.91 1sq4 n GLN 86 Ca -0.18 -0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 54.34 1sq4 n GLN 86 Cb 0.53 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 1sq4 n GLN 86 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1sq4 s ASP 87 N -3.61 6.34 0.59 1.08 -1.08 -1.26 -4.96 116.67 113.78 1sq4 s ASP 87 Ca -0.04 -0.03 0.36 0.00 -0.52 0.00 0.00 52.55 52.32 1sq4 s ASP 87 Cb 0.11 -2.29 1.85 0.00 -1.46 0.00 0.00 42.92 41.13 1sq4 s ASP 87 CO 0.66 -0.54 2.19 1.55 0.52 0.00 0.00 175.17 179.55 1sq4 h PRO 88 N 8.50 0.00 -0.01 4.34 0.13 -1.97 -2.49 132.00 140.49 1sq4 h PRO 88 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1sq4 h PRO 88 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1sq4 h PRO 88 CO 0.80 0.03 -0.42 0.09 -0.23 0.00 0.00 178.00 178.27 1sq4 n ASN 89 N -3.29 1.91 -4.70 1.44 4.13 -1.26 -1.41 115.26 112.08 1sq4 n ASN 89 Ca -0.02 -1.44 -0.42 0.00 1.68 0.00 0.00 54.58 54.38 1sq4 n ASN 89 Cb 0.18 0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 1sq4 n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sq4 s ALA 90 N -2.46 3.41 0.26 5.41 0.00 -0.94 -1.42 121.76 126.03 1sq4 s ALA 90 Ca 0.20 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.94 1sq4 s ALA 90 Cb 0.18 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1sq4 s ALA 90 CO 0.55 -0.56 0.20 -1.83 0.00 0.00 0.00 175.76 174.12 1sq4 s GLU 91 N 1.57 2.85 0.24 0.00 -1.05 0.45 -3.95 118.70 118.82 1sq4 s GLU 91 Ca 0.57 -1.11 -0.08 0.00 -0.15 0.00 0.00 54.97 54.19 1sq4 s GLU 91 Cb -0.26 -2.52 -0.02 0.00 -0.44 0.00 0.00 34.13 30.89 1sq4 s GLU 91 CO 0.26 0.36 0.37 0.00 0.95 0.00 0.00 175.26 177.19 1sq4 s ALA 92 N -2.17 0.27 -0.09 -0.84 0.00 -0.35 -2.49 121.76 116.10 1sq4 s ALA 92 Ca 0.34 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1sq4 s ALA 92 Cb -0.07 1.18 0.05 0.00 0.00 0.00 0.00 23.12 24.27 1sq4 s ALA 92 CO 0.25 -0.77 0.17 0.08 0.00 0.00 0.00 175.76 175.49 1sq4 s VAL 93 N -3.99 -0.24 -0.16 0.00 1.01 -0.95 -1.30 120.40 114.77 1sq4 s VAL 93 Ca 0.28 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1sq4 s VAL 93 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1sq4 s VAL 93 CO 0.11 0.13 0.03 -0.76 0.00 0.00 0.00 175.10 174.61 1sq4 s LEU 94 N 2.12 3.67 -0.28 3.92 1.02 0.14 -2.05 118.68 127.22 1sq4 s LEU 94 Ca 0.01 0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1sq4 s LEU 94 Cb -0.12 -1.90 0.09 0.00 0.02 0.00 0.00 46.19 44.28 1sq4 s LEU 94 CO -0.06 0.22 0.10 0.12 0.02 0.00 0.00 176.35 176.75 1sq4 s PHE 95 N 0.08 0.94 0.09 0.29 5.36 -0.66 -0.35 117.98 123.73 1sq4 s PHE 95 Ca 0.04 -1.16 -0.30 0.00 -0.96 0.00 0.00 56.93 54.54 1sq4 s PHE 95 Cb -0.13 -1.21 -0.06 0.00 -0.34 0.00 0.00 43.02 41.29 1sq4 s PHE 95 CO 0.01 -0.80 1.08 0.54 -1.46 0.00 0.00 175.22 174.60 1sq4 s VAL 96 N 1.88 4.26 -0.11 3.12 0.11 -0.80 -0.85 120.40 128.01 1sq4 s VAL 96 Ca 0.07 1.74 0.09 0.00 -2.93 0.00 0.00 61.98 60.96 1sq4 s VAL 96 Cb -0.17 -4.11 -0.14 0.00 -1.53 0.00 0.00 36.38 30.43 1sq4 s VAL 96 CO -0.27 0.20 0.25 1.33 -3.33 0.00 0.00 175.10 173.28 1sq4 n VAL 97 N 3.30 0.00 -3.65 2.04 0.24 0.25 -0.24 118.33 120.26 1sq4 n VAL 97 Ca 0.05 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1sq4 n VAL 97 Cb 0.48 0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 1sq4 n VAL 97 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1sq4 s GLU 98 N -2.48 0.69 0.70 7.34 2.12 -0.88 -4.56 118.70 121.64 1sq4 s GLU 98 Ca -0.02 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.32 1sq4 s GLU 98 Cb 0.06 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1sq4 s GLU 98 CO 0.39 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1sq4 n GLY 99 N 3.51 -1.92 3.09 -1.50 0.00 -1.26 0.93 105.19 108.04 1sq4 n GLY 99 Ca -0.17 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1sq4 n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sq4 s GLU 100 N 0.00 2.34 0.01 1.61 2.12 -1.26 -3.06 118.70 120.46 1sq4 s GLU 100 Ca 0.00 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1sq4 s GLU 100 Cb 0.00 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1sq4 s GLU 100 CO 0.00 -0.01 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.52 1sq4 s LEU 101 N 0.84 3.43 -0.31 2.70 2.96 -1.26 -4.62 118.68 122.41 1sq4 s LEU 101 Ca -0.09 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1sq4 s LEU 101 Cb -0.16 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.58 1sq4 s LEU 101 CO 0.01 0.27 0.06 -0.55 -1.32 0.00 0.00 176.35 174.81 1sq4 s SER 102 N -1.61 5.05 -0.14 3.68 0.15 -0.06 -4.48 113.70 116.30 1sq4 s SER 102 Ca 0.20 -1.00 -0.02 0.00 0.70 0.00 0.00 55.95 55.82 1sq4 s SER 102 Cb -0.11 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 1sq4 s SER 102 CO 0.10 -0.25 -0.09 -0.22 1.20 0.00 0.00 173.24 173.99 1sq4 s LEU 103 N 1.39 2.96 -0.43 3.45 2.96 -0.52 -0.71 118.68 127.79 1sq4 s LEU 103 Ca -0.01 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1sq4 s LEU 103 Cb -0.18 -1.69 0.10 0.00 0.50 0.00 0.00 46.19 44.92 1sq4 s LEU 103 CO 0.01 0.17 0.26 -0.89 -1.32 0.00 0.00 176.35 174.57 1sq4 s THR 104 N 0.36 3.87 -0.11 3.68 2.01 -0.11 0.78 115.64 126.12 1sq4 s THR 104 Ca -0.08 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.21 1sq4 s THR 104 Cb -0.15 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1sq4 s THR 104 CO 0.04 -0.63 -0.17 -0.22 -0.69 0.00 0.00 174.62 172.95 1sq4 s LEU 105 N 1.31 1.83 -1.21 4.42 2.96 0.03 -1.73 118.68 126.29 1sq4 s LEU 105 Ca 0.05 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1sq4 s LEU 105 Cb -0.24 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1sq4 s LEU 105 CO -0.01 0.04 0.79 0.00 -1.32 0.00 0.00 176.35 175.85 1sq4 n GLN 106 N 4.07 -3.69 -3.62 1.98 3.00 -1.22 -1.75 117.38 116.15 1sq4 n GLN 106 Ca -0.20 0.65 -0.27 0.00 -0.01 0.00 0.00 57.00 57.17 1sq4 n GLN 106 Cb 0.51 -5.13 0.00 0.00 0.00 0.00 0.00 30.24 25.63 1sq4 n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sq4 n GLY 107 N -1.50 -0.49 2.78 1.08 0.00 -1.26 -4.95 105.19 100.86 1sq4 n GLY 107 Ca -0.21 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1sq4 n GLY 107 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sq4 s GLN 108 N -6.29 0.01 -0.11 1.61 2.00 -0.72 -5.14 119.66 111.02 1sq4 s GLN 108 Ca 0.52 0.48 -0.23 0.00 -2.00 0.00 0.00 55.36 54.13 1sq4 s GLN 108 Cb -0.27 -0.42 -0.03 0.00 0.80 0.00 0.00 33.01 33.09 1sq4 s GLN 108 CO 0.64 -0.34 0.69 0.08 -0.50 0.00 0.00 175.29 175.87 1sq4 s VAL 109 N 2.26 5.02 -0.07 1.34 1.01 -1.26 -0.79 120.40 127.92 1sq4 s VAL 109 Ca 0.04 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.47 1sq4 s VAL 109 Cb -0.12 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1sq4 s VAL 109 CO -0.05 0.19 -0.24 -1.00 0.00 0.00 0.00 175.10 174.00 1sq4 s HIS 110 N 1.22 2.49 0.58 5.22 0.09 0.23 -4.98 115.29 120.14 1sq4 s HIS 110 Ca 0.35 -0.76 0.04 0.00 -0.00 0.00 0.00 55.06 54.70 1sq4 s HIS 110 Cb -0.17 -1.63 0.07 0.00 -0.00 0.00 0.00 32.58 30.85 1sq4 s HIS 110 CO 0.15 -0.24 0.80 0.00 -0.00 0.00 0.00 174.74 175.45 1sq4 s ALA 111 N -0.07 4.20 0.11 -1.40 0.00 -1.26 -1.44 121.76 121.90 1sq4 s ALA 111 Ca -0.06 -1.73 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 1sq4 s ALA 111 Cb -0.14 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.25 1sq4 s ALA 111 CO 0.05 -0.88 0.88 -0.65 0.00 0.00 0.00 175.76 175.15 1sq4 s GLN 113 N -4.76 1.13 0.15 0.00 -1.52 -1.26 -4.97 119.66 108.43 1sq4 s GLN 113 Ca 0.61 -0.55 -0.34 0.00 -1.95 0.00 0.00 55.36 53.12 1sq4 s GLN 113 Cb -0.08 0.43 -0.15 0.00 -0.22 0.00 0.00 33.01 33.00 1sq4 s GLN 113 CO 0.39 -0.51 1.46 -2.30 -0.25 0.00 0.00 175.29 174.09 1sq4 n PRO 114 N -0.38 1.78 0.00 2.91 -0.02 -1.17 0.37 135.00 138.49 1sq4 n PRO 114 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1sq4 n PRO 114 Cb 0.61 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1sq4 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sq4 n GLY 115 N 2.92 1.79 3.71 -1.23 0.00 0.67 -4.98 105.19 108.07 1sq4 n GLY 115 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1sq4 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sq4 s GLY 116 N -2.28 1.33 -0.11 -0.02 0.00 0.16 -2.28 107.32 104.12 1sq4 s GLY 116 Ca 0.00 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.23 1sq4 s GLY 116 CO 0.00 2.91 -0.19 -0.47 0.00 0.00 0.00 173.10 175.35 1sq4 s TYR 117 N 1.70 2.68 -0.03 1.90 5.04 0.25 -1.91 117.35 126.98 1sq4 s TYR 117 Ca 0.76 -0.82 0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1sq4 s TYR 117 Cb -0.47 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.09 1sq4 s TYR 117 CO 0.33 -0.29 -0.03 0.00 -1.34 0.00 0.00 175.55 174.21 1sq4 s ALA 118 N 0.29 0.49 -0.19 3.97 0.00 0.53 -1.34 121.76 125.51 1sq4 s ALA 118 Ca -0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1sq4 s ALA 118 Cb -0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1sq4 s ALA 118 CO 0.07 0.01 -0.05 0.12 0.00 0.00 0.00 175.76 175.91 1sq4 s PHE 119 N 0.64 2.95 -0.22 0.00 2.19 -0.83 0.24 117.98 122.95 1sq4 s PHE 119 Ca -0.07 -0.76 -0.03 0.00 0.33 0.00 0.00 56.93 56.40 1sq4 s PHE 119 Cb -0.11 -2.04 -0.00 0.00 -1.31 0.00 0.00 43.02 39.56 1sq4 s PHE 119 CO -0.00 -0.40 -0.07 0.42 1.83 0.00 0.00 175.22 177.00 1sq4 s ILE 120 N 1.09 3.12 0.61 3.12 1.01 -0.42 -3.28 121.20 126.44 1sq4 s ILE 120 Ca 0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1sq4 s ILE 120 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1sq4 s ILE 120 CO -0.00 0.43 1.06 -2.16 0.00 0.00 0.00 174.94 174.26 1sq4 s PRO 121 N 1.44 3.24 0.20 2.79 0.04 -1.26 -1.21 135.00 140.24 1sq4 s PRO 121 Ca 0.05 1.18 -0.33 0.00 0.04 0.00 0.00 61.00 61.95 1sq4 s PRO 121 Cb -0.14 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 1sq4 s PRO 121 CO -0.05 -0.87 1.42 -0.35 0.04 0.00 0.00 177.00 177.19 1sq4 n PRO 122 N -2.19 1.89 -0.86 0.56 -0.04 -1.26 -1.22 135.00 131.89 1sq4 n PRO 122 Ca 0.09 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1sq4 n PRO 122 Cb 0.53 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1sq4 n PRO 122 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sq4 n GLY 123 N 2.51 0.68 3.74 0.55 0.00 -0.50 -4.96 105.19 107.20 1sq4 n GLY 123 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1sq4 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq4 s ALA 124 N -3.01 3.49 0.17 4.61 0.00 -0.36 -4.99 121.76 121.67 1sq4 s ALA 124 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1sq4 s ALA 124 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1sq4 s ALA 124 CO 0.00 -0.48 0.91 -0.51 0.00 0.00 0.00 175.76 175.68 1sq4 s ASP 125 N 0.22 7.52 0.19 0.00 1.01 -1.26 -4.95 116.67 119.40 1sq4 s ASP 125 Ca 0.55 1.81 -0.23 0.00 0.71 0.00 0.00 52.55 55.39 1sq4 s ASP 125 Cb -0.35 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.07 1sq4 s ASP 125 CO 0.38 0.07 0.98 -0.72 0.21 0.00 0.00 175.17 176.09 1sq4 s TYR 126 N -0.64 -0.01 -0.03 4.23 1.13 -1.26 -3.44 117.35 117.33 1sq4 s TYR 126 Ca 0.42 -0.38 -0.29 0.00 -1.41 0.00 0.00 57.07 55.40 1sq4 s TYR 126 Cb -0.24 0.69 0.08 0.00 -1.10 0.00 0.00 41.96 41.39 1sq4 s TYR 126 CO 0.30 -0.96 0.73 -1.59 -2.51 0.00 0.00 175.55 171.52 1sq4 s LYS 127 N -2.66 1.01 0.00 -3.49 -2.85 -0.71 -4.57 119.74 106.47 1sq4 s LYS 127 Ca 0.17 0.08 0.07 0.00 -1.00 0.00 0.00 55.97 55.29 1sq4 s LYS 127 Cb -0.02 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1sq4 s LYS 127 CO 0.05 -0.35 -0.22 0.14 0.10 0.00 0.00 175.35 175.07 1sq4 s VAL 128 N -1.73 1.71 -0.03 1.79 -7.23 -1.10 -0.94 120.40 112.87 1sq4 s VAL 128 Ca -0.07 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 1sq4 s VAL 128 Cb -0.00 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.52 1sq4 s VAL 128 CO 0.04 0.39 0.30 -0.60 -0.31 0.00 0.00 175.10 174.92 1sq4 s ARG 129 N -0.74 0.61 -0.59 4.82 6.06 0.11 -1.07 118.95 128.15 1sq4 s ARG 129 Ca 0.08 -0.10 -0.11 0.00 -2.50 0.00 0.00 55.73 53.10 1sq4 s ARG 129 Cb -0.08 0.27 0.15 0.00 0.06 0.00 0.00 34.95 35.35 1sq4 s ARG 129 CO 0.00 -0.16 0.50 1.21 -2.50 0.00 0.00 175.30 174.35 1sq4 s ASN 130 N -1.08 6.02 0.00 -2.12 3.04 0.54 -0.88 114.94 120.46 1sq4 s ASN 130 Ca -0.11 -2.18 0.20 0.00 0.04 0.00 0.00 52.86 50.80 1sq4 s ASN 130 Cb -0.05 -2.09 0.87 0.00 -1.54 0.00 0.00 41.25 38.44 1sq4 s ASN 130 CO 0.03 -0.67 1.60 0.35 -3.04 0.00 0.00 177.10 175.37 1sq4 n THR 131 N 4.60 0.13 -2.92 -5.21 -2.24 -1.26 -0.67 114.28 106.71 1sq4 n THR 131 Ca -0.02 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1sq4 n THR 131 Cb 0.42 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1sq4 n THR 131 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sq4 s THR 132 N -1.87 2.27 -2.52 4.28 -4.23 -1.26 -4.94 115.64 107.37 1sq4 s THR 132 Ca 0.30 -0.90 0.26 0.00 -1.18 0.00 0.00 61.69 60.17 1sq4 s THR 132 Cb 0.15 -2.36 0.35 0.00 1.34 0.00 0.00 72.50 71.98 1sq4 s THR 132 CO 0.24 0.00 1.51 0.61 -0.54 0.00 0.00 174.62 176.44 1sq4 n GLY 133 N -2.32 0.24 3.60 3.99 0.00 -1.26 -4.27 105.19 105.17 1sq4 n GLY 133 Ca 0.14 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1sq4 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sq4 s GLN 134 N -2.11 2.17 0.89 1.61 1.11 -1.26 -4.77 119.66 117.30 1sq4 s GLN 134 Ca 0.31 -1.12 -0.11 0.00 0.01 0.00 0.00 55.36 54.46 1sq4 s GLN 134 Cb 0.20 -2.27 0.13 0.00 -1.01 0.00 0.00 33.01 30.05 1sq4 s GLN 134 CO 0.37 0.47 1.12 -1.01 0.01 0.00 0.00 175.29 176.25 1sq4 s HIS 135 N -1.48 1.95 0.04 0.91 3.76 -1.26 -4.50 115.29 114.71 1sq4 s HIS 135 Ca 0.24 1.63 0.03 0.00 -0.15 0.00 0.00 55.06 56.81 1sq4 s HIS 135 Cb -0.10 -3.22 -0.02 0.00 1.11 0.00 0.00 32.58 30.35 1sq4 s HIS 135 CO 0.15 -2.55 -0.09 0.99 -0.85 0.00 0.00 174.74 172.39 1sq4 s THR 136 N -2.74 0.68 -0.03 1.30 2.01 -0.41 -4.33 115.64 112.13 1sq4 s THR 136 Ca 0.65 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1sq4 s THR 136 Cb -0.21 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.64 1sq4 s THR 136 CO 0.58 -0.23 0.01 -0.13 -0.69 0.00 0.00 174.62 174.16 1sq4 s ARG 137 N -1.32 0.22 0.12 4.92 0.52 0.27 -1.06 118.95 122.61 1sq4 s ARG 137 Ca -0.05 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1sq4 s ARG 137 Cb -0.08 -0.44 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 1sq4 s ARG 137 CO 0.01 -0.15 0.11 -0.59 0.02 0.00 0.00 175.30 174.70 1sq4 s PHE 138 N 1.07 0.60 -0.11 -0.53 -0.71 -0.70 -0.59 117.98 117.00 1sq4 s PHE 138 Ca -0.09 -1.01 -0.07 0.00 -1.04 0.00 0.00 56.93 54.72 1sq4 s PHE 138 Cb -0.13 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1sq4 s PHE 138 CO -0.02 -0.55 0.15 -1.01 -1.34 0.00 0.00 175.22 172.45 1sq4 s HIS 139 N -3.98 3.61 -0.26 3.49 3.76 -0.03 -0.81 115.29 121.06 1sq4 s HIS 139 Ca 0.17 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1sq4 s HIS 139 Cb 0.06 -1.96 0.07 0.00 1.11 0.00 0.00 32.58 31.87 1sq4 s HIS 139 CO -0.02 0.73 0.00 -0.46 -0.85 0.00 0.00 174.74 174.14 1sq4 s TRP 140 N -1.03 2.20 -0.24 1.40 -0.00 0.18 -1.65 118.94 119.80 1sq4 s TRP 140 Ca 0.15 -1.76 -0.09 0.00 -0.00 0.00 0.00 56.10 54.40 1sq4 s TRP 140 Cb -0.12 -1.68 -0.04 0.00 -0.00 0.00 0.00 33.47 31.63 1sq4 s TRP 140 CO 0.04 -0.79 0.13 0.42 -0.00 0.00 0.00 176.95 176.75 1sq4 s ILE 141 N 1.46 5.00 0.15 5.86 1.01 -0.87 -1.02 121.20 132.79 1sq4 s ILE 141 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.80 1sq4 s ILE 141 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1sq4 s ILE 141 CO -0.11 0.34 -0.17 -0.13 0.00 0.00 0.00 174.94 174.87 1sq4 s ARG 142 N 1.23 1.79 -0.18 2.79 0.52 0.15 -2.23 118.95 123.03 1sq4 s ARG 142 Ca 0.06 -1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 53.71 1sq4 s ARG 142 Cb -0.14 -2.06 0.10 0.00 0.52 0.00 0.00 34.95 33.36 1sq4 s ARG 142 CO 0.05 0.45 0.87 0.21 0.02 0.00 0.00 175.30 176.90 1sq4 s LYS 143 N -2.44 0.74 -0.13 3.54 2.20 -1.04 -1.68 119.74 120.94 1sq4 s LYS 143 Ca 0.20 0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 55.95 1sq4 s LYS 143 Cb -0.09 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1sq4 s LYS 143 CO 0.11 -0.18 1.14 -1.01 -0.36 0.00 0.00 175.35 175.06 1sq4 s HIS 144 N -0.55 3.19 0.34 4.03 3.76 -1.26 -0.41 115.29 124.39 1sq4 s HIS 144 Ca -0.03 1.29 -0.28 0.00 -0.15 0.00 0.00 55.06 55.89 1sq4 s HIS 144 Cb -0.02 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 30.21 1sq4 s HIS 144 CO 0.02 -1.02 1.21 -0.47 -0.85 0.00 0.00 174.74 173.63 1sq4 s TYR 145 N 2.73 3.20 -0.36 1.40 6.14 -0.51 -4.92 117.35 125.02 1sq4 s TYR 145 Ca 0.51 1.53 -0.10 0.00 0.64 0.00 0.00 57.07 59.66 1sq4 s TYR 145 Cb -0.20 -3.49 0.03 0.00 0.42 0.00 0.00 41.96 38.71 1sq4 s TYR 145 CO 0.16 -1.35 0.18 -1.14 0.64 0.00 0.00 175.55 174.05 1sq4 s GLN 146 N -1.85 2.84 0.12 4.97 0.74 -1.26 -5.01 119.66 120.21 1sq4 s GLN 146 Ca 0.50 -1.06 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 1sq4 s GLN 146 Cb -0.35 -3.67 -0.06 0.00 1.10 0.00 0.00 33.01 30.03 1sq4 s GLN 146 CO 0.46 -0.67 0.99 0.21 -0.55 0.00 0.00 175.29 175.73 1sq4 s LYS 147 N 1.53 4.68 -0.09 1.67 2.47 -1.26 -4.93 119.74 123.82 1sq4 s LYS 147 Ca 0.02 1.50 0.02 0.00 -1.56 0.00 0.00 55.97 55.95 1sq4 s LYS 147 Cb -0.19 -3.36 0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1sq4 s LYS 147 CO 0.06 0.18 -0.12 0.54 0.16 0.00 0.00 175.35 176.17 1sq4 s VAL 148 N -0.03 1.21 0.16 4.02 0.11 -1.26 -5.10 120.40 119.51 1sq4 s VAL 148 Ca 0.48 -0.48 -0.34 0.00 -2.93 0.00 0.00 61.98 58.70 1sq4 s VAL 148 Cb -0.24 -1.13 -0.14 0.00 -1.53 0.00 0.00 36.38 33.34 1sq4 s VAL 148 CO 0.31 0.38 1.54 0.47 -3.33 0.00 0.00 175.10 174.46 1sq4 n ASP 149 N 4.13 2.90 0.00 3.54 10.43 -1.26 -0.87 116.55 135.41 1sq4 n ASP 149 Ca -0.20 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.25 1sq4 n ASP 149 Cb 0.51 -1.40 0.00 0.00 1.84 0.00 0.00 41.12 42.07 1sq4 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sq4 n GLY 150 N 3.20 2.77 3.39 0.44 0.00 -1.26 -5.02 105.19 108.71 1sq4 n GLY 150 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1sq4 n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq4 s VAL 151 N -2.61 3.71 0.54 1.61 1.01 -0.05 -5.10 120.40 119.51 1sq4 s VAL 151 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1sq4 s VAL 151 Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1sq4 s VAL 151 CO 0.00 0.42 1.03 -2.16 0.00 0.00 0.00 175.10 174.39 1sq4 s PRO 152 N 1.24 3.63 0.62 2.72 0.04 -1.26 -4.48 135.00 137.51 1sq4 s PRO 152 Ca 0.03 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 1sq4 s PRO 152 Cb -0.15 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1sq4 s PRO 152 CO 0.00 -0.55 1.18 1.28 0.04 0.00 0.00 177.00 178.95 1sq4 n LEU 153 N -1.61 5.13 -4.77 -3.56 4.77 -1.26 -4.68 117.00 111.01 1sq4 n LEU 153 Ca 0.08 0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 56.53 1sq4 n LEU 153 Cb 0.53 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 1sq4 n LEU 153 CO 0.45 -1.25 0.81 -2.16 -1.33 0.00 0.00 177.39 173.90 1sq4 s PRO 154 N -3.08 4.02 0.10 3.23 0.04 -1.26 -5.01 135.00 133.03 1sq4 s PRO 154 Ca 0.79 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 1sq4 s PRO 154 Cb -0.40 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 1sq4 s PRO 154 CO 0.44 -0.32 0.50 -1.21 0.04 0.00 0.00 177.00 176.44 1sq4 s GLU 155 N -2.45 3.95 1.09 4.56 2.02 -1.26 -4.66 118.70 121.95 1sq4 s GLU 155 Ca 0.59 0.44 -0.13 0.00 0.02 0.00 0.00 54.97 55.89 1sq4 s GLU 155 Cb -0.28 -3.03 0.24 0.00 0.10 0.00 0.00 34.13 31.17 1sq4 s GLU 155 CO 0.34 0.55 1.06 0.00 0.02 0.00 0.00 175.26 177.23 1sq4 s ALA 156 N -1.35 0.17 -0.28 5.21 0.00 -1.26 -4.92 121.76 119.33 1sq4 s ALA 156 Ca 0.33 -0.22 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 1sq4 s ALA 156 Cb -0.16 -3.19 0.17 0.00 0.00 0.00 0.00 23.12 19.95 1sq4 s ALA 156 CO 0.18 -3.40 1.35 -0.59 0.00 0.00 0.00 175.76 173.31 1sq4 s PHE 157 N -2.69 -0.04 0.04 0.00 -0.12 -1.21 -5.01 117.98 108.96 1sq4 s PHE 157 Ca 0.67 0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.63 1sq4 s PHE 157 Cb -0.22 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 1sq4 s PHE 157 CO 0.61 -0.04 -0.10 0.08 -0.05 0.00 0.00 175.22 175.72 1sq4 s VAL 158 N -1.55 0.75 0.04 -2.49 1.01 -1.26 -1.97 120.40 114.93 1sq4 s VAL 158 Ca 0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1sq4 s VAL 158 Cb -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1sq4 s VAL 158 CO -0.05 -0.16 0.38 1.07 0.00 0.00 0.00 175.10 176.33 1sq4 n THR 159 N 1.83 0.00 -4.22 3.92 5.66 -0.45 -5.01 114.28 116.01 1sq4 n THR 159 Ca -0.19 -0.14 -0.20 0.00 -3.05 0.00 0.00 64.05 60.47 1sq4 n THR 159 Cb 0.55 0.24 -0.16 0.00 -1.55 0.00 0.00 70.33 69.41 1sq4 n THR 159 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1sq4 s ASN 160 N -1.87 0.96 0.57 1.09 3.84 -1.26 0.85 114.94 119.12 1sq4 s ASN 160 Ca 0.09 -0.14 0.27 0.00 0.21 0.00 0.00 52.86 53.29 1sq4 s ASN 160 Cb -0.01 -0.41 1.58 0.00 -0.55 0.00 0.00 41.25 41.87 1sq4 s ASN 160 CO 0.01 -0.02 2.09 1.05 -2.79 0.00 0.00 177.10 177.44 1sq4 h GLU 161 N 6.93 0.00 0.00 0.43 -0.00 -1.82 0.74 114.58 120.85 1sq4 h GLU 161 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1sq4 h GLU 161 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1sq4 h GLU 161 CO 0.48 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.53 1sq4 n GLN 162 N -3.96 0.01 -0.00 1.06 6.02 -1.26 -1.53 117.38 117.71 1sq4 n GLN 162 Ca 0.02 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 1sq4 n GLN 162 Cb 0.34 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.18 1sq4 n GLN 162 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sq4 n ASP 163 N -1.49 2.61 -4.48 1.08 10.43 0.25 -4.90 116.55 120.05 1sq4 n ASP 163 Ca 0.04 -1.80 -0.35 0.00 2.57 0.00 0.00 54.79 55.24 1sq4 n ASP 163 Cb 0.16 -0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.00 1sq4 n ASP 163 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1sq4 s ILE 164 N -1.60 4.19 -0.19 0.53 1.01 -0.58 -5.03 121.20 119.53 1sq4 s ILE 164 Ca 0.23 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1sq4 s ILE 164 Cb 0.16 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1sq4 s ILE 164 CO 0.24 0.41 1.24 -1.58 0.00 0.00 0.00 174.94 175.24 1sq4 s GLN 165 N 1.08 4.20 0.26 2.79 2.00 -1.26 -4.97 119.66 123.75 1sq4 s GLN 165 Ca 0.03 1.58 -0.30 0.00 -2.00 0.00 0.00 55.36 54.67 1sq4 s GLN 165 Cb -0.14 -3.76 -0.10 0.00 0.80 0.00 0.00 33.01 29.80 1sq4 s GLN 165 CO 0.02 -0.74 1.45 -1.25 -0.50 0.00 0.00 175.29 174.28 1sq4 s PRO 166 N 3.53 4.25 -0.48 1.67 0.04 -1.26 -4.85 135.00 137.91 1sq4 s PRO 166 Ca 0.53 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.62 1sq4 s PRO 166 Cb -0.20 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1sq4 s PRO 166 CO 0.14 -0.44 1.18 -1.17 0.04 0.00 0.00 177.00 176.75 1sq4 s LEU 167 N -0.45 3.61 0.00 -3.56 0.20 0.21 -4.76 118.68 113.94 1sq4 s LEU 167 Ca 0.59 0.48 0.00 0.00 0.69 0.00 0.00 54.13 55.90 1sq4 s LEU 167 Cb -0.43 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 41.81 1sq4 s LEU 167 CO 0.44 -1.30 0.00 0.55 -0.29 0.00 0.00 176.35 175.76 1sq4 n VAL 168 N 6.88 0.00 -2.90 1.68 3.14 -1.26 -0.44 118.33 125.44 1sq4 n VAL 168 Ca 0.12 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.23 1sq4 n VAL 168 Cb 0.49 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.23 1sq4 n VAL 168 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1sq4 n PRO 170 N 0.00 3.36 -0.52 1.45 -0.04 -1.26 -4.94 135.00 133.04 1sq4 n PRO 170 Ca 0.00 -4.84 0.00 0.00 -0.04 0.00 0.00 63.50 58.62 1sq4 n PRO 170 Cb 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1sq4 n PRO 170 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sq4 n ASP 171 N -0.26 0.00 -3.57 3.54 5.75 -1.26 -5.01 116.55 115.74 1sq4 n ASP 171 Ca 0.32 -0.27 -0.28 0.00 -0.01 0.00 0.00 54.79 54.56 1sq4 n ASP 171 Cb 0.40 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 1sq4 n ASP 171 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1sq4 n THR 172 N 0.00 0.00 -3.64 2.12 5.66 -1.26 -0.25 114.28 116.91 1sq4 n THR 172 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1sq4 n THR 172 Cb 0.00 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1sq4 n THR 172 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1sq4 n GLU 173 N -3.07 -4.01 -2.02 1.09 4.71 -1.26 -1.15 120.64 114.93 1sq4 n GLU 173 Ca 0.08 0.52 -0.17 0.00 -0.01 0.00 0.00 57.16 57.58 1sq4 n GLU 173 Cb 0.36 -5.29 -0.03 0.00 -1.01 0.00 0.00 31.44 25.47 1sq4 n GLU 173 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sq4 n GLY 174 N -1.37 0.40 0.74 0.62 0.00 0.65 -4.88 105.19 101.34 1sq4 n GLY 174 Ca 0.01 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1sq4 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sq4 n ARG 175 N -2.57 1.95 -3.75 1.61 3.00 -0.30 -4.82 116.66 111.79 1sq4 n ARG 175 Ca -0.19 -1.45 -0.13 0.00 -0.01 0.00 0.00 57.85 56.07 1sq4 n ARG 175 Cb 0.61 -1.40 -0.14 0.00 0.00 0.00 0.00 32.46 31.53 1sq4 n ARG 175 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1sq4 s TRP 176 N -1.63 -0.19 0.30 -1.55 -0.00 -1.26 -0.39 118.94 114.22 1sq4 s TRP 176 Ca 0.33 0.53 -0.06 0.00 -0.00 0.00 0.00 56.10 56.90 1sq4 s TRP 176 Cb 0.18 -0.06 -0.00 0.00 -0.00 0.00 0.00 33.47 33.58 1sq4 s TRP 176 CO 0.25 -0.18 0.45 -1.54 -0.00 0.00 0.00 176.95 175.94 1sq4 s SER 177 N 1.17 0.53 -0.04 5.86 1.04 -0.19 -4.65 113.70 117.42 1sq4 s SER 177 Ca -0.09 -1.31 -0.03 0.00 0.48 0.00 0.00 55.95 55.00 1sq4 s SER 177 Cb -0.11 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1sq4 s SER 177 CO -0.06 -1.22 0.09 -0.89 0.98 0.00 0.00 173.24 172.14 1sq4 s THR 178 N -3.42 -0.01 -0.23 2.02 2.01 0.42 -0.93 115.64 115.50 1sq4 s THR 178 Ca 0.29 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1sq4 s THR 178 Cb 0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1sq4 s THR 178 CO 0.16 0.02 0.05 0.42 -0.69 0.00 0.00 174.62 174.57 1sq4 s THR 179 N 0.29 4.23 0.19 -0.82 -4.23 -0.51 0.67 115.64 115.46 1sq4 s THR 179 Ca -0.02 -0.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1sq4 s THR 179 Cb -0.03 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1sq4 s THR 179 CO -0.01 0.38 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.26 1sq4 s ARG 180 N 1.33 2.20 0.00 3.99 0.52 -1.26 -2.42 118.95 123.31 1sq4 s ARG 180 Ca 0.05 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 1sq4 s ARG 180 Cb -0.15 -2.22 0.02 0.00 0.52 0.00 0.00 34.95 33.13 1sq4 s ARG 180 CO 0.03 0.43 0.72 1.19 0.02 0.00 0.00 175.30 177.69 1sq4 n PHE 181 N -0.15 0.02 -3.83 -0.53 3.72 -1.26 -5.01 117.46 110.42 1sq4 n PHE 181 Ca -0.10 -0.17 -0.12 0.00 -0.05 0.00 0.00 57.45 57.01 1sq4 n PHE 181 Cb 0.56 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.97 1sq4 n PHE 181 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1sq4 s VAL 182 N -0.43 0.03 0.00 -4.37 1.01 -1.26 -5.14 120.40 110.24 1sq4 s VAL 182 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1sq4 s VAL 182 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1sq4 s VAL 182 CO 0.02 -0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.31 1sq4 n ASP 183 N 2.40 0.00 0.00 3.32 -0.08 -1.26 -4.96 116.55 115.97 1sq4 n ASP 183 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1sq4 n ASP 183 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1sq4 n ASP 183 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1sq4 n SER 185 N 0.00 0.00 -4.59 1.67 3.41 -1.26 -5.02 113.62 107.83 1sq4 n SER 185 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1sq4 n SER 185 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1sq4 n SER 185 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sq4 s ASP 186 N 0.00 2.47 0.00 4.04 3.68 -1.26 -5.06 116.67 120.54 1sq4 s ASP 186 Ca 0.00 1.06 0.00 0.00 2.13 0.00 0.00 52.55 55.74 1sq4 s ASP 186 Cb 0.00 -1.67 0.00 0.00 -1.45 0.00 0.00 42.92 39.80 1sq4 s ASP 186 CO 0.00 -3.21 0.00 0.54 0.13 0.00 0.00 175.17 172.63 1sq4 n ARG 188 N -4.21 0.00 -3.14 4.34 1.74 -1.26 -4.84 116.66 109.29 1sq4 n ARG 188 Ca 0.06 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.75 1sq4 n ARG 188 Cb 0.58 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 1sq4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sq4 s HIS 189 N 0.00 3.68 -0.44 -1.55 3.76 -1.26 -4.24 115.29 115.23 1sq4 s HIS 189 Ca 0.00 1.26 0.04 0.00 -0.15 0.00 0.00 55.06 56.21 1sq4 s HIS 189 Cb 0.00 -2.68 0.47 0.00 1.11 0.00 0.00 32.58 31.48 1sq4 s HIS 189 CO 0.00 0.29 1.59 -0.40 -0.85 0.00 0.00 174.74 175.37 1sq4 n ASP 190 N 2.92 5.44 -3.67 1.40 5.75 -1.26 -4.66 116.55 122.47 1sq4 n ASP 190 Ca -0.05 -3.77 -0.14 0.00 -0.01 0.00 0.00 54.79 50.82 1sq4 n ASP 190 Cb 0.51 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 1sq4 n ASP 190 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1sq4 s HIS 192 N -3.61 -0.61 -0.32 2.11 3.76 -0.13 -1.05 115.29 115.44 1sq4 s HIS 192 Ca 0.55 1.45 -0.00 0.00 -0.15 0.00 0.00 55.06 56.91 1sq4 s HIS 192 Cb 0.45 0.22 0.10 0.00 1.11 0.00 0.00 32.58 34.46 1sq4 s HIS 192 CO 0.02 -0.33 0.10 0.08 -0.85 0.00 0.00 174.74 173.76 1sq4 s VAL 193 N 0.13 1.05 0.27 -0.90 1.01 -1.26 -1.51 120.40 119.20 1sq4 s VAL 193 Ca -0.01 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.40 1sq4 s VAL 193 Cb -0.04 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1sq4 s VAL 193 CO 0.02 -0.69 0.07 0.59 0.00 0.00 0.00 175.10 175.09 1sq4 n ASN 194 N 4.70 2.43 -3.92 3.32 3.02 0.14 -4.65 115.26 120.30 1sq4 n ASN 194 Ca -0.01 -2.08 -0.26 0.00 -0.03 0.00 0.00 54.58 52.20 1sq4 n ASN 194 Cb 0.41 0.11 -0.17 0.00 -0.61 0.00 0.00 39.78 39.53 1sq4 n ASN 194 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sq4 s ILE 195 N -1.74 0.99 -0.14 2.41 1.01 -1.01 -0.54 121.20 122.18 1sq4 s ILE 195 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1sq4 s ILE 195 Cb -0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1sq4 s ILE 195 CO 0.04 0.35 0.56 -0.69 0.00 0.00 0.00 174.94 175.20 1sq4 s VAL 196 N 1.50 5.11 -0.18 2.92 1.01 -0.30 -1.43 120.40 129.03 1sq4 s VAL 196 Ca 0.01 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 1sq4 s VAL 196 Cb -0.13 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1sq4 s VAL 196 CO -0.06 0.24 -0.05 0.20 0.00 0.00 0.00 175.10 175.44 1sq4 s ASN 197 N 0.87 4.49 -0.19 3.32 0.01 -0.11 -1.89 114.94 121.44 1sq4 s ASN 197 Ca 0.28 -0.27 -0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1sq4 s ASN 197 Cb -0.16 -1.74 0.02 0.00 0.41 0.00 0.00 41.25 39.77 1sq4 s ASN 197 CO 0.12 0.08 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.27 1sq4 s PHE 198 N 0.86 2.84 0.61 2.20 0.40 0.36 -1.03 117.98 124.22 1sq4 s PHE 198 Ca -0.01 -1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 54.65 1sq4 s PHE 198 Cb -0.15 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 1sq4 s PHE 198 CO 0.01 -0.76 1.05 -1.21 0.70 0.00 0.00 175.22 175.02 1sq4 s GLU 199 N 1.32 3.31 0.00 0.44 0.41 0.47 -1.33 118.70 123.33 1sq4 s GLU 199 Ca 0.05 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 1sq4 s GLU 199 Cb -0.14 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1sq4 s GLU 199 CO -0.10 -0.81 0.14 -0.35 -0.49 0.00 0.00 175.26 173.65 1sq4 n PRO 200 N -2.27 0.16 0.00 0.39 -0.04 -1.26 -4.61 135.00 127.37 1sq4 n PRO 200 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1sq4 n PRO 200 Cb 0.53 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1sq4 n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sq4 n GLY 201 N -0.14 -2.29 0.00 0.55 0.00 -1.26 -4.58 105.19 97.47 1sq4 n GLY 201 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1sq4 n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 202 N 0.00 2.71 3.89 -0.02 0.00 -1.26 -4.69 105.19 105.82 1sq4 n GLY 202 Ca 0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1sq4 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq4 s VAL 203 N 4.04 4.79 -0.40 1.61 1.01 -1.26 -4.07 120.40 126.12 1sq4 s VAL 203 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1sq4 s VAL 203 Cb 0.00 -3.85 0.15 0.00 0.00 0.00 0.00 36.38 32.68 1sq4 s VAL 203 CO 0.00 -0.95 0.28 -0.63 0.00 0.00 0.00 175.10 173.80 1sq4 s ILE 204 N -2.92 0.49 0.54 2.22 1.09 -0.06 -4.99 121.20 117.57 1sq4 s ILE 204 Ca 0.50 -2.33 0.25 0.00 -1.10 0.00 0.00 60.65 57.97 1sq4 s ILE 204 Cb -0.11 -1.35 0.37 0.00 -1.06 0.00 0.00 42.46 40.32 1sq4 s ILE 204 CO 0.48 -1.09 2.03 1.55 -0.10 0.00 0.00 174.94 177.81 1sq4 h PRO 205 N 6.30 0.00 -3.17 2.79 0.13 -1.89 -0.39 132.00 135.77 1sq4 h PRO 205 Ca 0.15 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.68 1sq4 h PRO 205 Cb 0.93 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.66 1sq4 h PRO 205 CO 0.35 0.00 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.31 1sq4 s PHE 206 N -4.95 1.72 -1.83 1.56 0.40 -1.26 -4.46 117.98 109.16 1sq4 s PHE 206 Ca -0.05 -2.05 0.18 0.00 -0.60 0.00 0.00 56.93 54.41 1sq4 s PHE 206 Cb 0.18 -1.70 0.36 0.00 0.51 0.00 0.00 43.02 42.37 1sq4 s PHE 206 CO 0.69 -0.83 1.28 0.00 0.70 0.00 0.00 175.22 177.06 1sq4 n ALA 207 N 4.14 2.36 -2.09 5.36 0.00 0.20 -4.96 120.51 125.52 1sq4 n ALA 207 Ca 0.05 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1sq4 n ALA 207 Cb 0.38 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1sq4 n ALA 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sq4 s GLU 208 N -1.21 4.29 0.00 0.00 2.12 -1.23 -4.88 118.70 117.80 1sq4 s GLU 208 Ca 0.31 2.16 0.03 0.00 0.36 0.00 0.00 54.97 57.84 1sq4 s GLU 208 Cb 0.18 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1sq4 s GLU 208 CO 0.25 -0.48 0.16 0.25 -0.54 0.00 0.00 175.26 174.90 1sq4 n THR 209 N 3.85 0.00 -3.90 -1.70 -2.24 -1.26 -5.01 114.28 104.03 1sq4 n THR 209 Ca 0.12 -0.44 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1sq4 n THR 209 Cb 0.41 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 1sq4 n THR 209 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1sq4 s HIS 210 N -1.19 0.06 -1.26 4.78 5.65 -1.26 -5.20 115.29 116.87 1sq4 s HIS 210 Ca 0.01 -0.12 0.09 0.00 0.25 0.00 0.00 55.06 55.29 1sq4 s HIS 210 Cb 0.02 -0.06 0.37 0.00 -1.18 0.00 0.00 32.58 31.73 1sq4 s HIS 210 CO 0.11 -0.14 1.19 1.55 -0.65 0.00 0.00 174.74 176.80 1sq4 n VAL 211 N 2.24 0.97 -3.05 0.89 3.14 -1.26 -4.80 118.33 116.45 1sq4 n VAL 211 Ca -0.18 -0.60 -0.35 0.00 -2.96 0.00 0.00 64.34 60.24 1sq4 n VAL 211 Cb 0.57 -0.10 -0.06 0.00 -1.06 0.00 0.00 33.84 33.19 1sq4 n VAL 211 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1sq4 s GLU 213 N -1.71 4.25 -0.02 1.45 1.03 -1.20 -0.63 118.70 121.87 1sq4 s GLU 213 Ca 0.26 0.91 -0.29 0.00 0.03 0.00 0.00 54.97 55.88 1sq4 s GLU 213 Cb 0.17 -2.75 0.10 0.00 -0.80 0.00 0.00 34.13 30.85 1sq4 s GLU 213 CO 0.12 0.31 0.90 -3.38 -1.33 0.00 0.00 175.26 171.88 1sq4 s HIS 214 N -1.65 -0.35 0.17 4.83 -3.43 -1.02 -4.72 115.29 109.12 1sq4 s HIS 214 Ca 0.47 0.25 0.04 0.00 -0.80 0.00 0.00 55.06 55.02 1sq4 s HIS 214 Cb -0.15 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1sq4 s HIS 214 CO 0.20 -0.52 0.23 0.20 -2.00 0.00 0.00 174.74 172.85 1sq4 s GLY 215 N -2.35 1.64 -0.05 -1.38 0.00 -1.12 -2.16 107.32 101.90 1sq4 s GLY 215 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1sq4 s GLY 215 CO -0.08 -1.16 -0.06 1.08 0.00 0.00 0.00 173.10 172.88 1sq4 s LEU 216 N -3.30 1.40 -0.21 0.66 1.02 -1.26 -2.86 118.68 114.12 1sq4 s LEU 216 Ca 0.33 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.31 1sq4 s LEU 216 Cb -0.10 -0.54 0.05 0.00 0.02 0.00 0.00 46.19 45.62 1sq4 s LEU 216 CO 0.26 -0.04 -0.05 -0.47 0.02 0.00 0.00 176.35 176.08 1sq4 s TYR 217 N 0.87 2.12 -0.19 0.29 6.14 0.54 -4.35 117.35 122.76 1sq4 s TYR 217 Ca -0.12 -1.51 -0.29 0.00 0.64 0.00 0.00 57.07 55.79 1sq4 s TYR 217 Cb -0.15 -1.48 -0.04 0.00 0.42 0.00 0.00 41.96 40.72 1sq4 s TYR 217 CO 0.01 -0.72 1.72 0.08 0.64 0.00 0.00 175.55 177.27 1sq4 s VAL 218 N 1.49 3.55 -0.00 3.14 1.01 -0.36 0.13 120.40 129.35 1sq4 s VAL 218 Ca -0.03 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1sq4 s VAL 218 Cb -0.18 -3.56 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 1sq4 s VAL 218 CO -0.07 -0.23 0.82 -0.07 0.00 0.00 0.00 175.10 175.55 1sq4 h LEU 219 N 11.96 0.26 -7.15 3.92 3.38 -1.19 0.21 115.31 126.69 1sq4 h LEU 219 Ca -0.36 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.14 1sq4 h LEU 219 Cb 1.17 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1sq4 h LEU 219 CO 0.99 1.33 0.01 -0.70 0.09 0.00 0.00 178.44 180.16 1sq4 s GLU 220 N -2.62 0.83 0.21 1.13 2.12 -0.91 -1.88 118.70 117.57 1sq4 s GLU 220 Ca -0.08 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1sq4 s GLU 220 Cb 0.07 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1sq4 s GLU 220 CO 0.83 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.77 1sq4 n GLY 221 N 1.80 -2.54 3.15 -1.50 0.00 -1.24 -0.34 105.19 104.53 1sq4 n GLY 221 Ca -0.17 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1sq4 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sq4 s LYS 222 N -0.38 0.71 -0.01 1.61 1.02 -1.26 -1.08 119.74 120.34 1sq4 s LYS 222 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 1sq4 s LYS 222 Cb 0.00 0.28 0.11 0.00 -0.52 0.00 0.00 37.83 37.70 1sq4 s LYS 222 CO 0.00 -0.19 1.19 0.00 -0.92 0.00 0.00 175.35 175.43 1sq4 s ALA 223 N -3.34 -2.07 -0.40 5.17 0.00 -0.39 -4.17 121.76 116.55 1sq4 s ALA 223 Ca 0.01 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 1sq4 s ALA 223 Cb 0.03 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.55 1sq4 s ALA 223 CO -0.08 -0.96 0.23 0.08 0.00 0.00 0.00 175.76 175.03 1sq4 s VAL 224 N -2.63 4.36 -0.03 0.00 1.01 -0.89 -1.07 120.40 121.15 1sq4 s VAL 224 Ca 0.13 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1sq4 s VAL 224 Cb 0.02 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1sq4 s VAL 224 CO -0.03 -0.37 0.15 -0.47 0.00 0.00 0.00 175.10 174.38 1sq4 s TYR 225 N 1.48 3.49 -0.33 5.22 5.04 -0.16 -0.40 117.35 131.69 1sq4 s TYR 225 Ca 0.02 0.35 -0.08 0.00 -2.44 0.00 0.00 57.07 54.92 1sq4 s TYR 225 Cb -0.21 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.29 1sq4 s TYR 225 CO 0.04 0.64 0.13 0.50 -1.34 0.00 0.00 175.55 175.52 1sq4 s ARG 226 N -1.72 2.88 -0.37 4.97 6.06 0.31 0.30 118.95 131.38 1sq4 s ARG 226 Ca 0.24 -1.02 -0.06 0.00 -2.50 0.00 0.00 55.73 52.40 1sq4 s ARG 226 Cb -0.12 -3.52 0.07 0.00 0.06 0.00 0.00 34.95 31.44 1sq4 s ARG 226 CO 0.15 -0.59 0.15 -0.51 -2.50 0.00 0.00 175.30 172.00 1sq4 s LEU 227 N 1.49 4.70 -0.44 -0.88 1.43 0.71 -1.64 118.68 124.06 1sq4 s LEU 227 Ca 0.01 -1.47 -0.34 0.00 -1.03 0.00 0.00 54.13 51.30 1sq4 s LEU 227 Cb -0.18 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.22 1sq4 s LEU 227 CO 0.04 -0.43 0.64 -3.20 0.23 0.00 0.00 176.35 173.64 1sq4 n ASN 228 N 4.76 -6.05 0.00 2.29 5.15 -0.63 -2.00 115.26 118.77 1sq4 n ASN 228 Ca -0.10 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1sq4 n ASN 228 Cb 0.43 -2.46 0.00 0.00 -0.53 0.00 0.00 39.78 37.22 1sq4 n ASN 228 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sq4 n GLN 229 N -0.18 -0.23 -3.97 1.20 1.13 -1.26 -4.94 117.38 109.13 1sq4 n GLN 229 Ca -0.04 0.06 -0.29 0.00 -1.94 0.00 0.00 57.00 54.78 1sq4 n GLN 229 Cb 0.63 -4.08 -0.16 0.00 0.11 0.00 0.00 30.24 26.74 1sq4 n GLN 229 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sq4 s ASP 230 N -2.21 2.82 -0.04 1.08 -0.00 -0.85 -5.11 116.67 112.36 1sq4 s ASP 230 Ca 0.00 -0.60 -0.23 0.00 -0.00 0.00 0.00 52.55 51.72 1sq4 s ASP 230 Cb 0.00 -1.09 -0.04 0.00 -0.00 0.00 0.00 42.92 41.79 1sq4 s ASP 230 CO 0.00 -0.11 0.68 0.26 -0.00 0.00 0.00 175.17 176.00 1sq4 s TRP 231 N 1.53 3.62 -0.01 4.23 0.52 -1.26 -0.21 118.94 127.36 1sq4 s TRP 231 Ca 0.03 1.27 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1sq4 s TRP 231 Cb -0.14 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1sq4 s TRP 231 CO -0.09 0.18 -0.01 0.14 0.02 0.00 0.00 176.95 177.18 1sq4 s VAL 232 N 0.45 0.17 0.17 4.03 -7.23 0.15 -4.96 120.40 113.18 1sq4 s VAL 232 Ca 0.36 -0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.21 1sq4 s VAL 232 Cb -0.18 -0.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.48 1sq4 s VAL 232 CO 0.19 0.09 1.06 -1.61 -0.31 0.00 0.00 175.10 174.51 1sq4 s GLU 233 N 0.39 4.63 0.04 4.82 2.02 -1.26 -0.99 118.70 128.36 1sq4 s GLU 233 Ca -0.04 1.65 0.02 0.00 0.02 0.00 0.00 54.97 56.62 1sq4 s GLU 233 Cb -0.06 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 1sq4 s GLU 233 CO -0.01 0.14 -0.08 0.14 0.02 0.00 0.00 175.26 175.46 1sq4 s VAL 234 N -0.26 0.58 0.30 2.63 -7.23 -0.23 -4.94 120.40 111.24 1sq4 s VAL 234 Ca 0.48 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.64 1sq4 s VAL 234 Cb -0.28 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1sq4 s VAL 234 CO 0.34 -0.35 0.22 -1.83 -0.31 0.00 0.00 175.10 173.17 1sq4 s GLU 235 N -1.53 1.62 0.06 4.82 -1.05 -1.26 -1.26 118.70 120.09 1sq4 s GLU 235 Ca -0.09 -1.93 -0.34 0.00 -0.15 0.00 0.00 54.97 52.46 1sq4 s GLU 235 Cb -0.10 0.20 -0.13 0.00 -0.44 0.00 0.00 34.13 33.66 1sq4 s GLU 235 CO 0.01 -0.55 1.68 0.00 0.95 0.00 0.00 175.26 177.35 1sq4 n ALA 236 N -0.55 1.11 0.00 -0.84 0.00 -0.24 -1.55 120.51 118.44 1sq4 n ALA 236 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sq4 n ALA 236 Cb 0.64 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1sq4 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sq4 n GLY 237 N 3.76 2.72 3.82 0.00 0.00 0.73 -4.89 105.19 111.34 1sq4 n GLY 237 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1sq4 n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sq4 s ASP 238 N -1.50 6.95 0.28 1.61 1.01 -0.59 -3.80 116.67 120.63 1sq4 s ASP 238 Ca 0.00 1.62 0.01 0.00 0.71 0.00 0.00 52.55 54.89 1sq4 s ASP 238 Cb 0.00 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 1sq4 s ASP 238 CO 0.00 -0.29 0.02 0.33 0.21 0.00 0.00 175.17 175.44 1sq4 n PHE 239 N -0.43 0.51 -3.56 4.23 7.35 0.03 -1.23 117.46 124.36 1sq4 n PHE 239 Ca 0.06 -1.46 -0.01 0.00 -0.76 0.00 0.00 57.45 55.27 1sq4 n PHE 239 Cb 0.53 -0.14 -0.06 0.00 0.35 0.00 0.00 39.48 40.17 1sq4 n PHE 239 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 1sq4 s TRP 241 N -2.16 -0.61 -0.13 -5.13 -0.11 0.41 0.15 118.94 111.36 1sq4 s TRP 241 Ca 0.03 1.15 -0.03 0.00 1.22 0.00 0.00 56.10 58.47 1sq4 s TRP 241 Cb 0.00 0.37 -0.03 0.00 -1.50 0.00 0.00 33.47 32.31 1sq4 s TRP 241 CO 0.02 -0.30 -0.01 -0.51 -4.62 0.00 0.00 176.95 171.53 1sq4 s LEU 242 N 1.75 3.45 -0.01 5.86 1.02 -0.92 -1.64 118.68 128.20 1sq4 s LEU 242 Ca -0.07 0.01 -0.21 0.00 0.02 0.00 0.00 54.13 53.89 1sq4 s LEU 242 Cb -0.05 -1.82 -0.22 0.00 0.02 0.00 0.00 46.19 44.12 1sq4 s LEU 242 CO -0.16 0.26 1.11 0.03 0.02 0.00 0.00 176.35 177.61 1sq4 h ARG 243 N 6.03 0.35 0.00 1.70 2.47 -1.66 -2.72 114.38 120.55 1sq4 h ARG 243 Ca -0.40 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1sq4 h ARG 243 Cb 1.19 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1sq4 h ARG 243 CO 0.60 1.02 0.00 0.00 0.56 0.00 0.00 179.97 182.16 1sq4 n ALA 244 N -2.56 0.00 -0.62 0.04 0.00 -1.26 -3.25 120.51 112.86 1sq4 n ALA 244 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1sq4 n ALA 244 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1sq4 n ALA 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sq4 n PHE 245 N -0.48 0.00 -1.65 0.00 3.72 0.19 -4.89 117.46 114.36 1sq4 n PHE 245 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1sq4 n PHE 245 Cb 0.00 -1.53 -0.03 0.00 -0.94 0.00 0.00 39.48 36.98 1sq4 n PHE 245 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sq4 n PRO 247 N 7.74 1.86 -3.77 0.00 -0.02 -1.26 -4.80 135.00 134.74 1sq4 n PRO 247 Ca 0.21 0.67 -0.24 0.00 -2.02 0.00 0.00 63.50 62.13 1sq4 n PRO 247 Cb 0.42 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 1sq4 n PRO 247 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sq4 s GLN 248 N -2.59 0.66 0.04 -0.52 -0.21 -1.26 -1.61 119.66 114.17 1sq4 s GLN 248 Ca 0.66 -0.01 0.05 0.00 0.02 0.00 0.00 55.36 56.09 1sq4 s GLN 248 Cb -0.45 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 1sq4 s GLN 248 CO 0.54 -0.37 -0.16 0.00 -2.12 0.00 0.00 175.29 173.18 1sq4 s ALA 249 N 1.94 1.31 0.06 6.09 0.00 -0.65 0.63 121.76 131.14 1sq4 s ALA 249 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1sq4 s ALA 249 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1sq4 s ALA 249 CO -0.06 0.27 -0.19 0.00 0.00 0.00 0.00 175.76 175.78 1sq4 n TYR 251 N 1.59 0.51 -2.72 0.00 9.36 0.47 -0.88 117.16 125.49 1sq4 n TYR 251 Ca -0.18 -3.66 -0.42 0.00 3.32 0.00 0.00 57.90 56.95 1sq4 n TYR 251 Cb 0.54 -0.23 -0.03 0.00 -0.63 0.00 0.00 39.34 38.98 1sq4 n TYR 251 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1sq4 s SER 252 N -1.05 6.32 0.00 2.98 1.04 -1.26 -2.10 113.70 119.62 1sq4 s SER 252 Ca 0.34 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.53 1sq4 s SER 252 Cb 0.10 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1sq4 s SER 252 CO -0.13 -1.43 0.60 0.61 0.98 0.00 0.00 173.24 173.87 1sq4 n GLY 253 N 5.17 -0.27 3.35 7.32 0.00 -1.26 -3.99 105.19 115.51 1sq4 n GLY 253 Ca 0.03 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1sq4 n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sq4 n GLY 254 N 0.75 -2.38 0.25 -0.02 0.00 -1.26 -4.89 105.19 97.64 1sq4 n GLY 254 Ca 0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1sq4 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sq4 h PRO 255 N -1.19 0.44 0.00 1.61 0.13 -1.94 -3.42 132.00 127.63 1sq4 h PRO 255 Ca -0.44 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1sq4 h PRO 255 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sq4 h PRO 255 CO 0.34 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1sq4 n GLY 256 N -0.64 1.94 3.82 1.56 0.00 -1.26 -4.87 105.19 105.75 1sq4 n GLY 256 Ca 0.00 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 1sq4 n GLY 256 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sq4 s ARG 257 N 3.00 4.18 -0.20 1.61 3.52 -1.26 -4.00 118.95 125.80 1sq4 s ARG 257 Ca 0.00 0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 56.37 1sq4 s ARG 257 Cb 0.00 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 1sq4 s ARG 257 CO 0.00 0.39 -0.12 0.12 -0.81 0.00 0.00 175.30 174.88 1sq4 s PHE 258 N -1.55 2.86 0.01 5.12 5.36 -0.44 -3.64 117.98 125.70 1sq4 s PHE 258 Ca 0.43 -1.26 -0.14 0.00 -0.96 0.00 0.00 56.93 54.99 1sq4 s PHE 258 Cb -0.16 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.54 1sq4 s PHE 258 CO 0.20 -0.66 0.31 -0.98 -1.46 0.00 0.00 175.22 172.63 1sq4 s ARG 259 N 1.33 0.72 0.01 10.12 1.70 0.54 -0.48 118.95 132.89 1sq4 s ARG 259 Ca 0.04 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 1sq4 s ARG 259 Cb -0.14 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 1sq4 s ARG 259 CO -0.07 -0.21 0.02 1.52 -1.08 0.00 0.00 175.30 175.47 1sq4 s TYR 260 N -1.80 0.18 0.17 5.89 1.13 -0.79 -0.60 117.35 121.53 1sq4 s TYR 260 Ca -0.10 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 54.88 1sq4 s TYR 260 Cb -0.04 -0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.61 1sq4 s TYR 260 CO 0.01 -0.20 1.06 -1.17 -2.51 0.00 0.00 175.55 172.74 1sq4 s LEU 261 N -1.31 4.50 -0.02 -3.49 2.96 0.12 -1.15 118.68 120.29 1sq4 s LEU 261 Ca -0.14 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1sq4 s LEU 261 Cb -0.09 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1sq4 s LEU 261 CO -0.00 -0.16 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.58 1sq4 s LEU 262 N -0.38 1.86 -0.02 -0.68 0.20 0.30 -0.34 118.68 119.62 1sq4 s LEU 262 Ca 0.48 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.19 1sq4 s LEU 262 Cb -0.28 -0.42 -0.00 0.00 -0.43 0.00 0.00 46.19 45.05 1sq4 s LEU 262 CO 0.34 0.06 -0.10 -0.72 -0.29 0.00 0.00 176.35 175.64 1sq4 s TYR 263 N 0.08 0.93 0.11 5.38 -0.85 -1.14 -0.68 117.35 121.18 1sq4 s TYR 263 Ca -0.01 -0.20 -0.16 0.00 -0.52 0.00 0.00 57.07 56.18 1sq4 s TYR 263 Cb -0.06 -0.63 0.03 0.00 0.38 0.00 0.00 41.96 41.68 1sq4 s TYR 263 CO -0.00 -0.06 0.38 -1.59 -1.52 0.00 0.00 175.55 172.77 1sq4 s LYS 264 N -0.04 1.02 -0.14 -3.49 -2.85 -0.57 -2.81 119.74 110.88 1sq4 s LYS 264 Ca 0.01 -0.68 -0.07 0.00 -1.00 0.00 0.00 55.97 54.22 1sq4 s LYS 264 Cb -0.06 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1sq4 s LYS 264 CO 0.00 -0.39 0.12 0.16 0.10 0.00 0.00 175.35 175.34 1sq4 s ASP 265 N -2.69 6.18 0.26 0.03 -4.77 -1.26 -0.96 116.67 113.46 1sq4 s ASP 265 Ca 0.02 0.35 -0.02 0.00 -3.30 0.00 0.00 52.55 49.60 1sq4 s ASP 265 Cb 0.02 -2.01 0.01 0.00 -1.09 0.00 0.00 42.92 39.85 1sq4 s ASP 265 CO -0.11 0.34 0.38 1.33 0.70 0.00 0.00 175.17 177.81 1sq4 n VAL 266 N 2.47 0.00 -2.64 2.11 0.24 -0.22 -4.95 118.33 115.35 1sq4 n VAL 266 Ca -0.19 -1.25 -0.16 0.00 -2.04 0.00 0.00 64.34 60.70 1sq4 n VAL 266 Cb 0.54 0.80 -0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1sq4 n VAL 266 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sq4 n ASN 267 N -1.73 -4.28 -4.03 -1.34 3.02 -1.26 -4.37 115.26 101.28 1sq4 n ASN 267 Ca -0.00 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 1sq4 n ASN 267 Cb 0.43 -3.59 -0.08 0.00 -0.61 0.00 0.00 39.78 35.93 1sq4 n ASN 267 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1sq4 s ARG 268 N -5.25 0.95 0.00 3.52 6.06 -1.26 -4.93 118.95 118.03 1sq4 s ARG 268 Ca 0.09 -1.23 0.00 0.00 -2.50 0.00 0.00 55.73 52.09 1sq4 s ARG 268 Cb -0.05 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.26 1sq4 s ARG 268 CO 0.11 -0.30 0.00 0.72 -2.50 0.00 0.00 175.30 173.34 1sq4 n HIS 269 N -0.10 0.00 -4.46 5.12 8.25 -1.26 -5.22 115.22 117.55 1sq4 n HIS 269 Ca -0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.04 1sq4 n HIS 269 Cb 0.63 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.58 1sq4 n HIS 269 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1sq4 s ARG 271 N 0.00 3.12 -0.08 -0.41 3.03 -1.26 -5.13 118.95 118.21 1sq4 s ARG 271 Ca 0.00 -0.79 0.01 0.00 2.03 0.00 0.00 55.73 56.98 1sq4 s ARG 271 Cb 0.00 -2.58 -0.03 0.00 -1.03 0.00 0.00 34.95 31.32 1sq4 s ARG 271 CO 0.00 -0.05 -0.10 -0.51 -1.13 0.00 0.00 175.30 173.51 1sq4 s LEU 272 N 0.95 2.99 0.41 -1.89 1.43 -1.26 -5.09 118.68 116.23 1sq4 s LEU 272 Ca -0.03 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 1sq4 s LEU 272 Cb -0.15 -1.65 -0.11 0.00 0.03 0.00 0.00 46.19 44.31 1sq4 s LEU 272 CO -0.03 0.31 0.87 1.07 0.23 0.00 0.00 176.35 178.80 1sq4 n THR 273 N 2.54 2.24 -3.45 5.49 5.66 -1.26 -4.93 114.28 120.58 1sq4 n THR 273 Ca -0.18 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 59.95 1sq4 n THR 273 Cb 0.53 -0.94 -0.06 0.00 -1.55 0.00 0.00 70.33 68.30 1sq4 n THR 273 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1sq4 s LEU 274 N 0.23 4.36 0.00 1.09 1.43 -1.26 -5.40 118.68 119.13 1sq4 s LEU 274 Ca 0.63 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1sq4 s LEU 274 Cb -0.59 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1sq4 s LEU 274 CO 0.57 0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.91