#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su4 s GLU 2 N 0.00 0.33 -1.79 2.12 0.41 -1.26 -4.43 118.70 114.08 1su4 s GLU 2 Ca 0.00 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1su4 s GLU 2 Cb 0.00 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 1su4 s GLU 2 CO 0.00 0.05 0.00 0.00 -0.49 0.00 0.00 175.26 174.82 1su4 n ALA 3 N 2.45 -0.60 -0.19 5.21 0.00 -1.26 -4.85 120.51 121.27 1su4 n ALA 3 Ca -0.16 0.18 0.18 0.00 0.00 0.00 0.00 53.44 53.64 1su4 n ALA 3 Cb 0.57 -2.15 0.53 0.00 0.00 0.00 0.00 19.45 18.40 1su4 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su4 h ALA 4 N 0.90 2.21 -0.03 0.00 0.00 -1.93 0.51 119.26 120.92 1su4 h ALA 4 Ca -0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1su4 h ALA 4 Cb 1.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1su4 h ALA 4 CO 0.58 -0.45 0.04 1.12 0.00 0.00 0.00 179.25 180.53 1su4 h HIS 5 N 0.37 0.00 0.16 0.00 2.07 -1.92 -1.70 115.15 114.13 1su4 h HIS 5 Ca 0.41 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.64 1su4 h HIS 5 Cb 1.04 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.04 1su4 h HIS 5 CO -0.00 0.00 -1.29 1.03 -3.07 0.00 0.00 177.93 174.60 1su4 h SER 6 N 0.00 0.67 -4.52 3.10 0.87 -0.13 0.62 113.55 114.16 1su4 h SER 6 Ca 0.02 -0.67 -0.48 0.00 -1.23 0.00 0.00 61.79 59.43 1su4 h SER 6 Cb 0.09 -0.21 0.09 0.00 -0.44 0.00 0.00 62.40 61.93 1su4 h SER 6 CO -0.00 1.51 0.40 -0.54 -0.53 0.00 0.00 176.83 177.67 1su4 s LYS 7 N -2.76 2.23 0.68 2.24 1.02 -0.64 -4.45 119.74 118.06 1su4 s LYS 7 Ca -0.07 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 1su4 s LYS 7 Cb 0.06 -1.99 0.09 0.00 -0.52 0.00 0.00 37.83 35.47 1su4 s LYS 7 CO 0.91 -1.41 0.95 -1.54 -0.92 0.00 0.00 175.35 173.34 1su4 s SER 8 N -4.51 4.65 0.17 2.83 1.04 -1.26 -4.53 113.70 112.08 1su4 s SER 8 Ca 0.61 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.81 1su4 s SER 8 Cb -0.11 -0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.57 1su4 s SER 8 CO 0.49 -1.64 1.82 0.71 0.98 0.00 0.00 173.24 175.60 1su4 h THR 9 N -0.42 1.09 -0.89 2.02 1.35 -1.90 -0.11 112.91 114.05 1su4 h THR 9 Ca -0.40 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1su4 h THR 9 Cb 1.28 0.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.09 1su4 h THR 9 CO 0.47 0.11 0.58 -0.33 -0.25 0.00 0.00 175.52 176.10 1su4 h GLU 10 N 0.61 1.19 -0.29 4.72 3.07 -1.98 -1.30 114.58 120.60 1su4 h GLU 10 Ca 0.18 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1su4 h GLU 10 Cb -0.04 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 1su4 h GLU 10 CO -0.05 0.80 0.10 0.93 -1.40 0.00 0.00 179.01 179.39 1su4 h GLU 11 N 1.22 0.44 -0.78 2.33 5.08 -1.74 -1.76 114.58 119.36 1su4 h GLU 11 Ca 0.33 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1su4 h GLU 11 Cb -0.11 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1su4 h GLU 11 CO -0.07 0.48 0.41 0.00 -1.00 0.00 0.00 179.01 178.84 1su4 h LEU 13 N 1.10 0.63 -0.48 0.00 3.38 -1.03 -2.72 115.31 116.19 1su4 h LEU 13 Ca 0.27 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1su4 h LEU 13 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1su4 h LEU 13 CO -0.04 0.74 -0.66 0.00 0.09 0.00 0.00 178.44 178.57 1su4 h ALA 14 N 1.33 0.67 -0.86 1.53 0.00 -0.48 -0.96 119.26 120.49 1su4 h ALA 14 Ca 0.11 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1su4 h ALA 14 Cb 0.48 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1su4 h ALA 14 CO 0.03 0.74 0.43 -0.92 0.00 0.00 0.00 179.25 179.53 1su4 h TYR 15 N 0.30 0.76 -0.45 0.00 5.03 -0.67 -0.74 116.97 121.19 1su4 h TYR 15 Ca -0.02 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1su4 h TYR 15 Cb 1.21 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1su4 h TYR 15 CO 0.04 0.14 0.00 1.19 -1.32 0.00 0.00 178.16 178.21 1su4 n PHE 16 N -4.90 0.64 -3.55 -3.82 3.01 -1.21 -5.01 117.46 102.62 1su4 n PHE 16 Ca 0.18 -0.52 -0.23 0.00 1.01 0.00 0.00 57.45 57.90 1su4 n PHE 16 Cb 0.48 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 39.94 1su4 n PHE 16 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1su4 n GLY 17 N 0.76 -1.13 3.22 1.37 0.00 -0.28 -5.02 105.19 104.12 1su4 n GLY 17 Ca 0.16 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 1su4 n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1su4 s VAL 18 N -3.26 0.00 0.15 1.61 -7.23 -0.48 -5.02 120.40 106.17 1su4 s VAL 18 Ca 0.27 -0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.28 1su4 s VAL 18 Cb -0.09 -0.48 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 1su4 s VAL 18 CO 0.84 -0.02 0.53 -0.94 -0.31 0.00 0.00 175.10 175.21 1su4 s SER 19 N 0.08 6.78 0.00 4.85 1.04 -1.26 -4.69 113.70 120.49 1su4 s SER 19 Ca -0.01 1.02 0.10 0.00 0.48 0.00 0.00 55.95 57.55 1su4 s SER 19 Cb -0.02 -2.27 0.60 0.00 0.10 0.00 0.00 66.02 64.43 1su4 s SER 19 CO 0.01 0.09 1.28 -1.84 0.98 0.00 0.00 173.24 173.75 1su4 n GLU 20 N 0.69 0.87 0.00 4.02 0.28 -1.26 -1.80 120.64 123.43 1su4 n GLU 20 Ca -0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.01 1su4 n GLU 20 Cb 0.52 -1.18 0.04 0.00 1.43 0.00 0.00 31.44 32.24 1su4 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1su4 n THR 21 N -0.68 0.00 0.00 3.84 -2.24 -1.26 -4.72 114.28 109.22 1su4 n THR 21 Ca 0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1su4 n THR 21 Cb 0.03 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1su4 n THR 21 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1su4 n THR 22 N 0.44 0.00 0.00 4.28 -1.04 -1.02 -5.09 114.28 111.85 1su4 n THR 22 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1su4 n THR 22 Cb 0.27 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1su4 n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su4 n GLY 23 N 2.68 -1.25 3.76 3.41 0.00 -0.75 -2.35 105.19 110.69 1su4 n GLY 23 Ca 0.00 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1su4 n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su4 n LEU 24 N -1.94 4.72 -4.95 0.99 4.32 -1.24 -3.49 117.00 115.41 1su4 n LEU 24 Ca 0.00 1.18 -0.27 0.00 -0.02 0.00 0.00 56.01 56.91 1su4 n LEU 24 Cb 0.00 -1.59 0.13 0.00 -1.62 0.00 0.00 43.42 40.33 1su4 n LEU 24 CO 0.00 -0.06 0.69 0.42 -1.22 0.00 0.00 177.39 177.22 1su4 s THR 25 N -1.15 2.12 0.12 -5.08 -4.23 -1.26 -0.03 115.64 106.14 1su4 s THR 25 Ca 0.57 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 1su4 s THR 25 Cb -0.48 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 1su4 s THR 25 CO 0.61 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.81 1su4 h PRO 26 N -0.96 0.71 -0.72 3.99 0.13 -1.96 -2.04 132.00 131.14 1su4 h PRO 26 Ca -0.42 -0.23 0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1su4 h PRO 26 Cb 1.27 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1su4 h PRO 26 CO 0.45 0.80 0.38 -0.44 -0.23 0.00 0.00 178.00 178.96 1su4 h ASP 27 N 0.53 0.51 -0.13 1.44 3.32 -1.99 -0.50 116.42 119.60 1su4 h ASP 27 Ca 0.11 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1su4 h ASP 27 Cb 0.48 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1su4 h ASP 27 CO 0.02 0.30 0.01 1.56 -1.72 0.00 0.00 179.24 179.42 1su4 h GLN 28 N 0.65 0.23 -0.31 3.56 4.20 -1.90 -2.46 115.11 119.07 1su4 h GLN 28 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1su4 h GLN 28 Cb 0.34 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1su4 h GLN 28 CO -0.25 0.43 0.20 0.28 -0.67 0.00 0.00 178.83 178.82 1su4 h VAL 29 N -0.01 1.09 -0.55 -0.54 2.07 -0.93 0.20 116.25 117.57 1su4 h VAL 29 Ca 0.04 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1su4 h VAL 29 Cb 0.32 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1su4 h VAL 29 CO 0.00 0.08 0.17 0.50 0.02 0.00 0.00 177.57 178.35 1su4 h LYS 30 N 0.42 0.33 0.06 1.57 3.64 -1.10 -0.04 116.57 121.45 1su4 h LYS 30 Ca 0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1su4 h LYS 30 Cb -0.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1su4 h LYS 30 CO -0.02 0.22 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.26 1su4 h ARG 31 N 0.34 -0.07 -0.73 1.90 9.65 -1.04 -2.54 114.38 121.89 1su4 h ARG 31 Ca 0.28 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.22 1su4 h ARG 31 Cb 0.34 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.88 1su4 h ARG 31 CO -0.30 0.40 0.43 0.45 2.80 0.00 0.00 179.97 183.75 1su4 h HIS 32 N -0.58 0.79 -0.63 2.20 3.86 -0.41 0.38 115.15 120.75 1su4 h HIS 32 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1su4 h HIS 32 Cb 0.51 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1su4 h HIS 32 CO 0.09 0.39 0.35 1.25 0.86 0.00 0.00 177.93 180.87 1su4 h LEU 33 N 0.79 0.78 -0.76 2.43 5.85 -1.07 1.66 115.31 124.99 1su4 h LEU 33 Ca 0.32 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1su4 h LEU 33 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1su4 h LEU 33 CO -0.17 0.65 0.39 -0.08 -0.34 0.00 0.00 178.44 178.88 1su4 h GLU 34 N 0.86 1.09 0.02 1.25 4.81 -0.79 0.82 114.58 122.63 1su4 h GLU 34 Ca 0.22 -0.15 -0.26 0.00 -0.13 0.00 0.00 59.36 59.04 1su4 h GLU 34 Cb 0.04 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1su4 h GLU 34 CO -0.04 0.83 -1.38 0.87 -0.73 0.00 0.00 179.01 178.56 1su4 h LYS 35 N 1.07 0.04 -0.00 1.92 1.79 0.38 -3.38 116.57 118.39 1su4 h LYS 35 Ca 0.26 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1su4 h LYS 35 Cb 0.09 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1su4 h LYS 35 CO -0.04 0.80 -0.52 0.66 -1.08 0.00 0.00 179.45 179.28 1su4 n TYR 36 N -3.24 0.00 -4.29 -1.35 4.01 0.56 -5.06 117.16 107.78 1su4 n TYR 36 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1su4 n TYR 36 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1su4 n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1su4 n GLY 37 N 1.25 -1.34 3.94 2.72 0.00 0.28 -4.87 105.19 107.16 1su4 n GLY 37 Ca 0.02 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 1su4 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1su4 s HIS 38 N 0.00 3.48 -1.22 1.61 3.76 -1.26 -4.62 115.29 117.04 1su4 s HIS 38 Ca 0.00 0.30 -0.19 0.00 -0.15 0.00 0.00 55.06 55.01 1su4 s HIS 38 Cb 0.00 -1.83 0.06 0.00 1.11 0.00 0.00 32.58 31.92 1su4 s HIS 38 CO 0.00 0.28 1.65 1.21 -0.85 0.00 0.00 174.74 177.04 1su4 s ASN 39 N -3.64 6.74 0.07 1.40 2.47 0.80 -4.00 114.94 118.78 1su4 s ASN 39 Ca 0.38 -2.16 -0.26 0.00 0.42 0.00 0.00 52.86 51.24 1su4 s ASN 39 Cb -0.10 -2.58 0.09 0.00 -1.45 0.00 0.00 41.25 37.21 1su4 s ASN 39 CO 0.32 -1.27 1.17 -1.83 -3.72 0.00 0.00 177.10 171.76 1su4 s GLU 40 N 4.44 0.79 0.20 0.43 -1.05 -1.26 -3.88 118.70 118.37 1su4 s GLU 40 Ca 0.52 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.89 1su4 s GLU 40 Cb 0.03 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 1su4 s GLU 40 CO 0.03 -0.37 0.32 -0.51 0.95 0.00 0.00 175.26 175.68 1su4 s LEU 41 N -3.35 4.31 0.39 1.83 1.02 -1.26 -3.34 118.68 118.29 1su4 s LEU 41 Ca 0.21 0.11 -0.27 0.00 0.02 0.00 0.00 54.13 54.20 1su4 s LEU 41 Cb 0.00 -2.87 -0.09 0.00 0.02 0.00 0.00 46.19 43.25 1su4 s LEU 41 CO 0.01 -0.02 1.32 -2.16 0.02 0.00 0.00 176.35 175.52 1su4 s PRO 42 N -3.66 4.03 0.02 1.29 0.04 -1.26 -4.98 135.00 130.49 1su4 s PRO 42 Ca 0.34 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 1su4 s PRO 42 Cb -0.10 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1su4 s PRO 42 CO 0.29 -0.45 1.25 0.00 0.04 0.00 0.00 177.00 178.12 1su4 s ALA 43 N -1.23 3.47 0.49 8.56 0.00 -1.26 -4.94 121.76 126.85 1su4 s ALA 43 Ca 0.55 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 1su4 s ALA 43 Cb -0.39 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 1su4 s ALA 43 CO 0.51 -0.63 1.11 -2.00 0.00 0.00 0.00 175.76 174.74 1su4 s GLU 44 N 1.66 3.66 0.43 0.00 2.12 -1.26 -4.97 118.70 120.35 1su4 s GLU 44 Ca 0.59 1.58 -0.24 0.00 0.36 0.00 0.00 54.97 57.27 1su4 s GLU 44 Cb -0.29 -2.20 -0.10 0.00 0.26 0.00 0.00 34.13 31.81 1su4 s GLU 44 CO 0.27 -0.59 1.05 -1.91 -0.54 0.00 0.00 175.26 173.54 1su4 n GLU 45 N -0.86 1.41 -3.09 4.30 4.07 -1.26 -4.94 120.64 120.27 1su4 n GLU 45 Ca 0.09 0.51 -0.29 0.00 -0.06 0.00 0.00 57.16 57.41 1su4 n GLU 45 Cb 0.50 -2.11 -0.05 0.00 -0.06 0.00 0.00 31.44 29.73 1su4 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1su4 n GLY 46 N 1.13 5.36 3.37 8.31 0.00 -1.26 -4.97 105.19 117.13 1su4 n GLY 46 Ca 0.09 -2.76 -0.46 0.00 0.00 0.00 0.00 46.02 42.89 1su4 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1su4 s LYS 47 N -3.16 3.81 1.00 1.61 2.20 -1.26 -5.03 119.74 118.91 1su4 s LYS 47 Ca 0.44 -2.55 -0.13 0.00 -0.36 0.00 0.00 55.97 53.37 1su4 s LYS 47 Cb 0.21 -4.61 0.19 0.00 -1.51 0.00 0.00 37.83 32.11 1su4 s LYS 47 CO -0.08 -1.41 1.12 -1.54 -0.36 0.00 0.00 175.35 173.08 1su4 s SER 48 N 2.27 2.65 0.26 1.43 1.04 -1.26 -4.93 113.70 115.16 1su4 s SER 48 Ca 0.26 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.71 1su4 s SER 48 Cb -0.08 -1.58 0.34 0.00 0.10 0.00 0.00 66.02 64.80 1su4 s SER 48 CO -0.08 -3.09 1.68 0.25 0.98 0.00 0.00 173.24 172.98 1su4 h LEU 49 N -1.87 0.53 -0.91 2.42 5.85 -1.96 -2.65 115.31 116.73 1su4 h LEU 49 Ca -0.52 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1su4 h LEU 49 Cb 1.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1su4 h LEU 49 CO 0.56 0.80 0.51 -0.25 -0.34 0.00 0.00 178.44 179.72 1su4 h TRP 50 N 0.46 1.23 -0.01 1.25 2.91 -1.92 0.99 115.95 120.86 1su4 h TRP 50 Ca 0.06 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 1su4 h TRP 50 Cb 0.73 -0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1su4 h TRP 50 CO 0.03 0.84 -0.19 1.49 -1.03 0.00 0.00 178.44 179.57 1su4 h GLU 51 N 1.26 0.01 0.05 2.65 4.81 -1.83 -0.14 114.58 121.39 1su4 h GLU 51 Ca 0.32 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.23 1su4 h GLU 51 Cb 0.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1su4 h GLU 51 CO -0.05 0.21 -1.76 1.28 -0.73 0.00 0.00 179.01 177.95 1su4 n LEU 52 N -4.30 2.26 0.14 1.64 4.32 -0.90 -0.50 117.00 119.65 1su4 n LEU 52 Ca -0.02 0.29 0.13 0.00 -0.02 0.00 0.00 56.01 56.39 1su4 n LEU 52 Cb 0.26 -1.01 0.34 0.00 -1.62 0.00 0.00 43.42 41.39 1su4 n LEU 52 CO 0.37 0.58 0.87 0.58 -1.22 0.00 0.00 177.39 178.57 1su4 h VAL 53 N -0.50 0.00 0.00 4.08 2.07 -0.86 -3.19 116.25 117.84 1su4 h VAL 53 Ca -0.43 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1su4 h VAL 53 Cb 1.67 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1su4 h VAL 53 CO -0.10 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.11 1su4 n ILE 54 N -2.52 0.00 -0.05 4.57 -0.00 -0.10 -4.59 119.36 116.66 1su4 n ILE 54 Ca 0.05 0.02 -0.08 0.00 -0.00 0.00 0.00 62.75 62.75 1su4 n ILE 54 Cb 0.45 -0.99 -0.01 0.00 -0.00 0.00 0.00 39.64 39.09 1su4 n ILE 54 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1su4 h GLU 55 N 0.00 -0.16 -0.29 0.38 5.08 -1.44 -0.11 114.58 118.04 1su4 h GLU 55 Ca 0.00 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1su4 h GLU 55 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1su4 h GLU 55 CO 0.00 -0.10 -0.29 1.96 -1.00 0.00 0.00 179.01 179.58 1su4 h GLN 56 N -0.16 0.59 -0.63 2.33 4.20 -0.90 -2.71 115.11 117.83 1su4 h GLN 56 Ca 0.14 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1su4 h GLN 56 Cb 0.37 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1su4 h GLN 56 CO -0.35 0.82 0.23 0.35 -0.67 0.00 0.00 178.83 179.21 1su4 h PHE 57 N 0.51 0.99 -0.00 2.96 3.57 -1.41 -2.15 116.94 121.41 1su4 h PHE 57 Ca 0.07 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1su4 h PHE 57 Cb 0.76 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1su4 h PHE 57 CO 0.03 0.80 -0.45 1.49 -2.23 0.00 0.00 178.31 177.95 1su4 h GLU 58 N 0.90 0.01 0.36 1.11 4.81 -0.93 -1.99 114.58 118.85 1su4 h GLU 58 Ca 0.21 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1su4 h GLU 58 Cb 0.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1su4 h GLU 58 CO -0.01 0.45 -0.17 0.22 -0.73 0.00 0.00 179.01 178.77 1su4 h ASP 59 N 0.01 -0.41 -0.37 1.04 -0.00 -1.13 -1.88 116.42 113.67 1su4 h ASP 59 Ca -0.00 -0.11 0.08 0.00 -0.00 0.00 0.00 57.03 57.00 1su4 h ASP 59 Cb 0.79 0.11 -0.09 0.00 -0.00 0.00 0.00 39.33 40.14 1su4 h ASP 59 CO 0.06 -0.12 -0.25 0.25 -0.00 0.00 0.00 179.24 179.18 1su4 h LEU 60 N -0.71 -0.83 -0.50 2.28 5.85 -1.27 -2.11 115.31 118.02 1su4 h LEU 60 Ca -0.05 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1su4 h LEU 60 Cb 0.49 0.41 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 1su4 h LEU 60 CO 0.08 -0.27 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.56 1su4 h LEU 61 N -0.19 -0.96 -2.51 2.25 3.38 -1.21 0.13 115.31 116.20 1su4 h LEU 61 Ca 0.18 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1su4 h LEU 61 Cb 0.48 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1su4 h LEU 61 CO -0.49 -0.28 0.00 -0.37 0.09 0.00 0.00 178.44 177.39 1su4 h VAL 62 N -0.16 0.00 0.05 1.22 -1.51 -0.69 -0.83 116.25 114.33 1su4 h VAL 62 Ca 0.22 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 65.46 1su4 h VAL 62 Cb 0.52 1.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1su4 h VAL 62 CO -0.60 0.00 -0.30 0.03 -1.23 0.00 0.00 177.57 175.47 1su4 h ARG 63 N 0.00 0.12 0.00 5.19 3.08 -0.30 -2.69 114.38 119.77 1su4 h ARG 63 Ca 0.00 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1su4 h ARG 63 Cb 0.16 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1su4 h ARG 63 CO 0.00 1.09 -0.09 -0.84 -1.07 0.00 0.00 179.97 179.05 1su4 h ILE 64 N -0.75 0.35 -0.17 2.04 3.07 -1.06 -0.25 117.51 120.73 1su4 h ILE 64 Ca -0.05 -0.57 -0.06 0.00 1.55 0.00 0.00 64.86 65.73 1su4 h ILE 64 Cb 1.23 1.42 -0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1su4 h ILE 64 CO 0.06 0.09 -0.12 0.25 -1.05 0.00 0.00 178.15 177.38 1su4 h LEU 65 N 0.00 0.40 -1.11 0.16 5.85 -1.17 0.48 115.31 119.92 1su4 h LEU 65 Ca -0.00 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1su4 h LEU 65 Cb 0.41 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1su4 h LEU 65 CO 0.01 0.76 -0.12 0.25 -0.34 0.00 0.00 178.44 179.01 1su4 h LEU 66 N 0.04 0.48 -0.58 2.25 5.85 -1.07 -1.75 115.31 120.53 1su4 h LEU 66 Ca 0.03 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1su4 h LEU 66 Cb 0.63 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1su4 h LEU 66 CO 0.03 0.63 -0.06 0.25 -0.34 0.00 0.00 178.44 178.95 1su4 h LEU 67 N 0.46 1.06 -0.70 2.25 7.12 -0.81 -0.41 115.31 124.27 1su4 h LEU 67 Ca 0.09 -0.33 -0.09 0.00 0.13 0.00 0.00 57.88 57.68 1su4 h LEU 67 Cb 0.48 -0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1su4 h LEU 67 CO 0.03 1.13 0.04 0.00 -0.13 0.00 0.00 178.44 179.52 1su4 h ALA 68 N 0.96 0.91 -0.65 1.25 0.00 -0.50 -1.35 119.26 119.88 1su4 h ALA 68 Ca 0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1su4 h ALA 68 Cb 0.63 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1su4 h ALA 68 CO 0.04 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.07 1su4 h ALA 69 N 1.07 0.99 -0.13 0.00 0.00 -0.92 -2.54 119.26 117.73 1su4 h ALA 69 Ca 0.18 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1su4 h ALA 69 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1su4 h ALA 69 CO 0.02 0.64 -0.49 0.00 0.00 0.00 0.00 179.25 179.43 1su4 h ILE 71 N 0.27 0.74 0.00 0.00 1.08 -0.90 -1.71 117.51 117.00 1su4 h ILE 71 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1su4 h ILE 71 Cb 0.96 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1su4 h ILE 71 CO 0.08 0.00 -0.12 0.77 -0.69 0.00 0.00 178.15 178.19 1su4 h SER 72 N -0.29 0.00 0.03 1.72 4.64 -1.41 -1.81 113.55 116.43 1su4 h SER 72 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1su4 h SER 72 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1su4 h SER 72 CO -0.00 0.12 -0.24 0.15 -0.87 0.00 0.00 176.83 175.98 1su4 h PHE 73 N 0.00 0.38 0.21 4.77 3.57 -0.50 -0.42 116.94 124.95 1su4 h PHE 73 Ca -0.00 -0.07 -0.32 0.00 3.53 0.00 0.00 57.97 61.11 1su4 h PHE 73 Cb 0.70 -0.10 0.03 0.00 2.79 0.00 0.00 35.95 39.37 1su4 h PHE 73 CO 0.00 0.57 -1.39 0.28 -2.23 0.00 0.00 178.31 175.54 1su4 h VAL 74 N 0.31 1.34 0.00 1.41 2.07 -0.89 -3.25 116.25 117.25 1su4 h VAL 74 Ca 0.05 -2.77 -0.05 0.00 0.82 0.00 0.00 66.70 64.74 1su4 h VAL 74 Cb 0.60 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1su4 h VAL 74 CO 0.04 0.83 -0.25 -0.07 0.02 0.00 0.00 177.57 178.14 1su4 h LEU 75 N 0.14 0.00 0.00 2.57 3.38 -1.01 -1.96 115.31 118.43 1su4 h LEU 75 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1su4 h LEU 75 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1su4 h LEU 75 CO 0.25 0.25 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1su4 n ALA 76 N -2.41 2.03 -0.11 1.53 0.00 -0.20 -2.42 120.51 118.94 1su4 n ALA 76 Ca -0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1su4 n ALA 76 Cb 0.33 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1su4 n ALA 76 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1su4 n TRP 77 N -0.99 0.33 1.01 0.00 -0.00 -0.74 -4.16 117.44 112.88 1su4 n TRP 77 Ca 0.11 0.09 0.10 0.00 -0.00 0.00 0.00 57.50 57.79 1su4 n TRP 77 Cb 0.05 -1.04 0.52 0.00 -0.00 0.00 0.00 31.31 30.83 1su4 n TRP 77 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1su4 n PHE 78 N -3.66 0.00 -2.58 5.87 3.01 -1.01 -4.58 117.46 114.50 1su4 n PHE 78 Ca -0.44 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.60 1su4 n PHE 78 Cb 0.95 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 40.19 1su4 n PHE 78 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1su4 s GLU 79 N -2.41 3.44 0.00 -1.08 2.12 -1.12 -4.84 118.70 114.80 1su4 s GLU 79 Ca 0.22 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.73 1su4 s GLU 79 Cb 0.13 -4.05 0.28 0.00 0.26 0.00 0.00 34.13 30.75 1su4 s GLU 79 CO 0.28 -1.78 1.05 -1.91 -0.54 0.00 0.00 175.26 172.36 1su4 n GLU 80 N 8.63 0.07 -0.15 4.30 2.13 -1.26 -4.73 120.64 129.62 1su4 n GLU 80 Ca 0.07 0.26 -0.20 0.00 0.66 0.00 0.00 57.16 57.95 1su4 n GLU 80 Cb 0.49 -1.50 0.20 0.00 0.27 0.00 0.00 31.44 30.90 1su4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1su4 n GLY 81 N -0.82 -3.86 3.73 8.31 0.00 -1.26 -4.89 105.19 106.40 1su4 n GLY 81 Ca 0.02 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1su4 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su4 s GLU 82 N -4.37 4.25 -0.47 1.61 8.01 -1.26 -4.86 118.70 121.60 1su4 s GLU 82 Ca 0.45 2.30 -0.27 0.00 0.01 0.00 0.00 54.97 57.46 1su4 s GLU 82 Cb -0.08 -3.15 -0.08 0.00 -4.31 0.00 0.00 34.13 26.52 1su4 s GLU 82 CO 0.38 -0.50 2.40 -0.85 0.01 0.00 0.00 175.26 176.70 1su4 n GLU 83 N 3.21 1.12 -0.75 1.61 0.00 -1.26 -4.93 120.64 119.64 1su4 n GLU 83 Ca 0.10 0.09 -0.30 0.00 0.00 0.00 0.00 57.16 57.05 1su4 n GLU 83 Cb 0.40 -3.27 0.25 0.00 0.00 0.00 0.00 31.44 28.82 1su4 n GLU 83 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1su4 s THR 84 N 11.32 1.54 0.00 3.84 -1.32 -1.26 -5.03 115.64 124.73 1su4 s THR 84 Ca 1.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.49 1su4 s THR 84 Cb -0.28 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1su4 s THR 84 CO 0.30 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.33 1su4 n ILE 85 N -5.07 0.00 0.34 5.08 2.08 -1.26 -4.78 119.36 115.75 1su4 n ILE 85 Ca 0.11 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.26 1su4 n ILE 85 Cb 0.59 -0.26 -0.08 0.00 -0.75 0.00 0.00 39.64 39.14 1su4 n ILE 85 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1su4 h THR 86 N 0.00 0.21 0.00 1.39 2.02 -1.94 -2.71 112.91 111.88 1su4 h THR 86 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1su4 h THR 86 Cb 0.24 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1su4 h THR 86 CO 0.00 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1su4 n ALA 87 N -2.61 1.77 0.10 6.16 0.00 -1.26 -1.57 120.51 123.09 1su4 n ALA 87 Ca -0.12 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.35 1su4 n ALA 87 Cb 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1su4 n ALA 87 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1su4 h PHE 88 N 0.00 0.00 -0.02 0.00 3.04 -1.78 -3.31 116.94 114.86 1su4 h PHE 88 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1su4 h PHE 88 Cb 0.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.54 1su4 h PHE 88 CO 0.00 0.13 0.00 0.28 -2.02 0.00 0.00 178.31 176.70 1su4 n VAL 89 N -2.78 0.00 0.16 1.41 0.31 -0.61 -4.61 118.33 112.22 1su4 n VAL 89 Ca -0.01 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.64 1su4 n VAL 89 Cb 0.61 1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 34.79 1su4 n VAL 89 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1su4 h GLU 90 N 3.25 -0.80 -1.01 5.55 4.81 -1.63 0.13 114.58 124.90 1su4 h GLU 90 Ca 0.00 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.53 1su4 h GLU 90 Cb 0.69 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 30.16 1su4 h GLU 90 CO 0.00 -0.53 0.64 -1.35 -0.73 0.00 0.00 179.01 177.04 1su4 h PRO 91 N -0.83 0.44 -0.04 0.92 0.11 -1.82 -0.33 132.00 130.45 1su4 h PRO 91 Ca -0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1su4 h PRO 91 Cb 0.79 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1su4 h PRO 91 CO -0.22 0.29 -0.09 0.74 -0.21 0.00 0.00 178.00 178.51 1su4 h PHE 92 N 0.46 0.17 -0.90 0.65 -1.00 -1.63 -2.66 116.94 112.02 1su4 h PHE 92 Ca 0.57 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 61.33 1su4 h PHE 92 Cb 1.34 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.82 1su4 h PHE 92 CO -0.00 0.69 0.59 0.28 -1.61 0.00 0.00 178.31 178.26 1su4 h VAL 93 N -0.40 1.13 0.32 -0.55 2.07 0.31 0.22 116.25 119.36 1su4 h VAL 93 Ca -0.00 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1su4 h VAL 93 Cb 0.69 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1su4 h VAL 93 CO 0.02 0.20 -0.15 0.40 0.02 0.00 0.00 177.57 178.06 1su4 h ILE 94 N 1.10 0.70 -0.98 4.57 1.08 -1.12 -0.44 117.51 122.43 1su4 h ILE 94 Ca 0.36 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 1su4 h ILE 94 Cb 0.06 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.57 1su4 h ILE 94 CO -0.12 0.05 0.63 0.25 -0.69 0.00 0.00 178.15 178.27 1su4 h LEU 95 N -0.55 0.99 0.37 1.44 5.85 -1.12 -1.09 115.31 121.20 1su4 h LEU 95 Ca -0.04 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1su4 h LEU 95 Cb 0.41 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1su4 h LEU 95 CO 0.07 0.62 -0.23 0.25 -0.34 0.00 0.00 178.44 178.82 1su4 h LEU 96 N 1.12 -0.58 -0.83 2.25 5.85 -0.60 -2.05 115.31 120.46 1su4 h LEU 96 Ca 0.43 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.38 1su4 h LEU 96 Cb 0.22 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 1su4 h LEU 96 CO -0.18 -0.35 0.30 0.40 -0.34 0.00 0.00 178.44 178.28 1su4 h ILE 97 N -0.56 0.49 -0.64 4.05 5.03 -0.90 0.65 117.51 125.63 1su4 h ILE 97 Ca -0.05 -0.12 0.12 0.00 -0.12 0.00 0.00 64.86 64.69 1su4 h ILE 97 Cb 0.45 0.11 -0.04 0.00 -3.03 0.00 0.00 36.82 34.31 1su4 h ILE 97 CO 0.05 0.06 0.43 -0.07 -0.68 0.00 0.00 178.15 177.95 1su4 h LEU 98 N 0.35 0.33 -0.16 1.44 3.38 -1.03 0.13 115.31 119.75 1su4 h LEU 98 Ca 0.50 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.45 1su4 h LEU 98 Cb 0.91 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1su4 h LEU 98 CO -0.53 0.19 -0.04 0.40 0.09 0.00 0.00 178.44 178.55 1su4 h ILE 99 N 0.36 1.29 -0.70 1.22 1.08 0.10 -2.00 117.51 118.86 1su4 h ILE 99 Ca 0.31 -1.00 0.08 0.00 -0.39 0.00 0.00 64.86 63.85 1su4 h ILE 99 Cb 0.70 1.63 -0.06 0.00 -3.07 0.00 0.00 36.82 36.01 1su4 h ILE 99 CO -0.08 0.30 0.38 0.00 -0.69 0.00 0.00 178.15 178.05 1su4 h ALA 100 N 0.71 0.96 -0.41 1.87 0.00 -0.15 -0.06 119.26 122.19 1su4 h ALA 100 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1su4 h ALA 100 Cb 0.47 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1su4 h ALA 100 CO 0.02 0.01 0.18 -0.91 0.00 0.00 0.00 179.25 178.55 1su4 h ASN 101 N 0.66 0.23 -0.66 0.00 -0.26 -0.71 -1.86 115.58 112.98 1su4 h ASN 101 Ca 0.33 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 56.12 1su4 h ASN 101 Cb 0.28 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.50 1su4 h ASN 101 CO -0.23 0.17 0.43 0.00 -1.06 0.00 0.00 177.43 176.75 1su4 h ALA 102 N 1.24 0.85 -0.69 -0.83 0.00 -0.46 0.16 119.26 119.52 1su4 h ALA 102 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1su4 h ALA 102 Cb 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1su4 h ALA 102 CO -0.16 0.23 0.38 0.82 0.00 0.00 0.00 179.25 180.53 1su4 h ILE 103 N 0.87 0.96 -0.29 0.00 1.08 -0.48 -0.08 117.51 119.57 1su4 h ILE 103 Ca 0.25 -0.24 -0.16 0.00 -0.39 0.00 0.00 64.86 64.32 1su4 h ILE 103 Cb -0.06 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1su4 h ILE 103 CO -0.07 0.13 -0.45 0.58 -0.69 0.00 0.00 178.15 177.65 1su4 h VAL 104 N 0.70 1.29 -0.31 1.67 2.07 -0.68 -2.40 116.25 118.59 1su4 h VAL 104 Ca 0.31 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1su4 h VAL 104 Cb 0.21 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1su4 h VAL 104 CO -0.19 0.53 0.18 1.23 0.02 0.00 0.00 177.57 179.34 1su4 h GLY 105 N 0.90 0.45 1.44 2.17 0.00 0.17 -1.54 103.07 106.66 1su4 h GLY 105 Ca 0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1su4 h GLY 105 CO 0.10 0.19 -0.13 -0.24 0.00 0.00 0.00 176.54 176.46 1su4 h VAL 106 N 0.39 1.25 -0.29 4.60 3.04 -1.04 -1.36 116.25 122.84 1su4 h VAL 106 Ca 0.11 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 1su4 h VAL 106 Cb 0.04 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1su4 h VAL 106 CO -0.02 0.38 0.18 -0.25 -1.01 0.00 0.00 177.57 176.85 1su4 h TRP 107 N 0.60 0.38 -0.36 3.17 -0.00 -1.11 0.11 115.95 118.74 1su4 h TRP 107 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1su4 h TRP 107 Cb 0.57 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.59 1su4 h TRP 107 CO 0.02 0.26 0.08 1.96 -0.00 0.00 0.00 178.44 180.76 1su4 h GLN 108 N 0.38 0.59 0.00 2.65 4.20 -1.03 -1.53 115.11 120.37 1su4 h GLN 108 Ca 0.11 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1su4 h GLN 108 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1su4 h GLN 108 CO -0.02 0.64 -0.28 0.93 -0.67 0.00 0.00 178.83 179.43 1su4 h GLU 109 N 0.44 0.00 0.00 1.46 5.08 -1.06 -2.10 114.58 118.39 1su4 h GLU 109 Ca 0.11 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1su4 h GLU 109 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1su4 h GLU 109 CO 0.00 0.28 -0.65 -0.09 -1.00 0.00 0.00 179.01 177.55 1su4 h ARG 110 N 0.00 0.00 -0.37 2.33 2.43 -0.42 -2.38 114.38 115.97 1su4 h ARG 110 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1su4 h ARG 110 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1su4 h ARG 110 CO 0.04 0.65 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.93 1su4 h ASN 111 N 0.00 0.90 0.23 -3.80 -0.26 -0.64 -1.95 115.58 110.05 1su4 h ASN 111 Ca -0.01 -0.45 -0.01 0.00 -0.56 0.00 0.00 56.30 55.27 1su4 h ASN 111 Cb 1.37 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1su4 h ASN 111 CO 0.08 1.16 -0.11 0.00 -1.06 0.00 0.00 177.43 177.50 1su4 h ALA 112 N 0.77 -0.31 -0.34 -0.83 0.00 -1.34 0.16 119.26 117.36 1su4 h ALA 112 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1su4 h ALA 112 Cb 0.88 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1su4 h ALA 112 CO 0.08 -0.58 0.03 1.05 0.00 0.00 0.00 179.25 179.82 1su4 h GLU 113 N -0.48 0.52 -0.30 0.00 4.11 -1.48 -0.06 114.58 116.88 1su4 h GLU 113 Ca -0.03 -0.10 -0.15 0.00 0.07 0.00 0.00 59.36 59.15 1su4 h GLU 113 Cb 0.36 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1su4 h GLU 113 CO 0.05 0.52 -0.40 -0.91 0.07 0.00 0.00 179.01 178.34 1su4 h ASN 114 N 0.51 0.88 -0.69 3.06 -0.26 -1.20 -0.84 115.58 117.03 1su4 h ASN 114 Ca 0.11 -0.50 -0.05 0.00 -0.56 0.00 0.00 56.30 55.31 1su4 h ASN 114 Cb 0.28 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 1su4 h ASN 114 CO 0.00 1.20 0.25 0.00 -1.06 0.00 0.00 177.43 177.83 1su4 h ALA 115 N 0.70 0.90 -0.27 -0.83 0.00 -0.24 -1.40 119.26 118.11 1su4 h ALA 115 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1su4 h ALA 115 Cb 1.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1su4 h ALA 115 CO 0.09 0.54 0.14 0.82 0.00 0.00 0.00 179.25 180.84 1su4 h ILE 116 N 0.99 1.14 -0.67 0.00 1.08 -0.91 -2.94 117.51 116.20 1su4 h ILE 116 Ca 0.23 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1su4 h ILE 116 Cb 0.25 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 1su4 h ILE 116 CO -0.01 0.14 0.36 -0.08 -0.69 0.00 0.00 178.15 177.86 1su4 h GLU 117 N 0.31 0.63 0.00 2.37 4.57 -0.79 -0.42 114.58 121.25 1su4 h GLU 117 Ca 0.09 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1su4 h GLU 117 Cb 0.10 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1su4 h GLU 117 CO -0.01 0.42 0.00 0.00 -1.18 0.00 0.00 179.01 178.23 1su4 n ALA 118 N -2.37 1.73 -0.05 2.92 0.00 -0.56 -2.02 120.51 120.15 1su4 n ALA 118 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1su4 n ALA 118 Cb 0.20 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 1su4 n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1su4 n LEU 119 N -0.87 0.56 0.22 0.00 4.77 -0.16 -4.26 117.00 117.25 1su4 n LEU 119 Ca 0.04 0.24 0.18 0.00 -0.03 0.00 0.00 56.01 56.44 1su4 n LEU 119 Cb 0.02 0.28 0.81 0.00 -2.33 0.00 0.00 43.42 42.20 1su4 n LEU 119 CO 0.03 0.44 1.15 0.11 -1.33 0.00 0.00 177.39 177.79 1su4 h LYS 120 N 0.00 0.00 -0.25 3.23 1.57 -1.52 -1.77 116.57 117.83 1su4 h LYS 120 Ca -0.40 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1su4 h LYS 120 Cb 2.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 1su4 h LYS 120 CO 0.06 0.00 -0.15 1.49 -0.57 0.00 0.00 179.45 180.27 1su4 h GLU 121 N 0.00 0.42 -0.01 3.15 4.81 -1.77 -3.14 114.58 118.04 1su4 h GLU 121 Ca 0.09 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1su4 h GLU 121 Cb 0.76 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1su4 h GLU 121 CO -0.00 0.57 -0.25 0.66 -0.73 0.00 0.00 179.01 179.25 1su4 n TYR 122 N -4.20 0.00 -1.72 0.92 4.02 -0.67 -4.94 117.16 110.58 1su4 n TYR 122 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1su4 n TYR 122 Cb 0.33 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 1su4 n TYR 122 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1su4 n GLU 123 N -0.34 2.41 -1.65 -0.72 2.13 -1.19 -4.87 120.64 116.42 1su4 n GLU 123 Ca 0.13 0.86 -0.47 0.00 0.66 0.00 0.00 57.16 58.34 1su4 n GLU 123 Cb 0.38 -2.58 -0.04 0.00 0.27 0.00 0.00 31.44 29.48 1su4 n GLU 123 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1su4 n PRO 124 N 1.92 1.89 -2.81 5.31 -0.04 -1.26 -4.90 135.00 135.12 1su4 n PRO 124 Ca 0.09 0.68 -0.44 0.00 -0.04 0.00 0.00 63.50 63.79 1su4 n PRO 124 Cb 0.35 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1su4 n PRO 124 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1su4 n GLU 125 N 2.73 3.49 -3.10 0.54 1.02 -1.26 -4.50 120.64 119.56 1su4 n GLU 125 Ca 0.15 -3.83 -0.44 0.00 -0.02 0.00 0.00 57.16 53.02 1su4 n GLU 125 Cb 0.28 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.74 1su4 n GLU 125 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1su4 n MET 126 N 4.78 3.46 0.00 3.49 2.81 -1.24 -4.42 117.12 125.99 1su4 n MET 126 Ca 0.36 -4.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.15 1su4 n MET 126 Cb 0.40 -2.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.08 1su4 n MET 126 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1su4 n GLY 127 N 3.46 1.50 3.68 3.03 0.00 -1.23 -4.32 105.19 111.32 1su4 n GLY 127 Ca 0.32 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 1su4 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su4 s LYS 128 N 0.00 2.82 0.17 1.61 1.02 -1.26 -1.48 119.74 122.62 1su4 s LYS 128 Ca 0.00 -0.57 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1su4 s LYS 128 Cb 0.00 -2.69 0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1su4 s LYS 128 CO 0.00 0.64 0.51 0.14 -0.92 0.00 0.00 175.35 175.72 1su4 s VAL 129 N -1.05 0.03 -0.18 3.17 -7.23 0.20 -2.16 120.40 113.18 1su4 s VAL 129 Ca 0.18 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1su4 s VAL 129 Cb -0.11 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1su4 s VAL 129 CO 0.09 -0.15 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.35 1su4 s TYR 130 N -3.82 2.92 0.30 2.82 1.51 0.13 -0.37 117.35 120.84 1su4 s TYR 130 Ca 0.05 -0.78 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1su4 s TYR 130 Cb -0.00 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.79 1su4 s TYR 130 CO -0.08 -0.38 -0.07 1.03 -1.11 0.00 0.00 175.55 174.94 1su4 s ARG 131 N 0.98 1.65 0.36 -0.62 1.81 -1.25 -3.72 118.95 118.15 1su4 s ARG 131 Ca -0.01 -1.84 0.26 0.00 -1.72 0.00 0.00 55.73 52.42 1su4 s ARG 131 Cb -0.15 -1.33 1.30 0.00 -0.45 0.00 0.00 34.95 34.32 1su4 s ARG 131 CO -0.00 0.06 1.78 0.00 -0.68 0.00 0.00 175.30 176.46 1su4 h ALA 132 N 2.18 1.00 -3.00 2.13 0.00 -0.06 -3.31 119.26 118.20 1su4 h ALA 132 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1su4 h ALA 132 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1su4 h ALA 132 CO 0.69 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 1su4 n ASP 133 N -2.40 0.00 -4.88 0.00 8.00 -1.26 -4.79 116.55 111.21 1su4 n ASP 133 Ca -0.01 0.24 -0.31 0.00 0.71 0.00 0.00 54.79 55.42 1su4 n ASP 133 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 1su4 n ASP 133 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1su4 s ARG 134 N -0.47 3.74 -0.22 -1.24 0.52 -1.25 -4.98 118.95 115.05 1su4 s ARG 134 Ca 0.00 0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 1su4 s ARG 134 Cb 0.00 -2.65 0.42 0.00 0.52 0.00 0.00 34.95 33.23 1su4 s ARG 134 CO 0.00 0.29 1.42 1.63 0.02 0.00 0.00 175.30 178.66 1su4 n LYS 135 N -0.37 2.25 -3.95 3.54 5.02 -1.26 -4.48 118.16 118.90 1su4 n LYS 135 Ca -0.00 -1.76 -0.09 0.00 -2.02 0.00 0.00 58.31 54.44 1su4 n LYS 135 Cb 0.53 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 1su4 n LYS 135 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1su4 s SER 136 N -0.36 0.19 0.67 4.39 0.01 -1.26 -5.14 113.70 112.19 1su4 s SER 136 Ca 0.32 -0.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 1su4 s SER 136 Cb 0.26 0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.61 1su4 s SER 136 CO 0.07 -0.40 0.52 0.55 0.41 0.00 0.00 173.24 174.38 1su4 n VAL 137 N 1.19 1.97 -4.19 3.43 3.14 -1.26 -4.81 118.33 117.80 1su4 n VAL 137 Ca -0.21 -0.44 -0.16 0.00 -2.96 0.00 0.00 64.34 60.56 1su4 n VAL 137 Cb 0.57 -0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 32.51 1su4 n VAL 137 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1su4 s GLN 138 N -2.50 0.68 0.11 1.45 -0.21 0.50 -4.93 119.66 114.76 1su4 s GLN 138 Ca 0.67 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 55.29 1su4 s GLN 138 Cb -0.38 -0.59 -0.06 0.00 1.00 0.00 0.00 33.01 32.98 1su4 s GLN 138 CO 0.57 0.14 0.37 1.03 -2.12 0.00 0.00 175.29 175.27 1su4 s ARG 139 N -1.22 3.65 -0.02 2.91 1.81 -1.26 -0.63 118.95 124.19 1su4 s ARG 139 Ca -0.03 -0.01 -0.29 0.00 -1.72 0.00 0.00 55.73 53.68 1su4 s ARG 139 Cb -0.08 -2.91 0.09 0.00 -0.45 0.00 0.00 34.95 31.60 1su4 s ARG 139 CO 0.01 0.51 0.81 -1.50 -0.68 0.00 0.00 175.30 174.45 1su4 s ILE 140 N -1.55 0.00 0.41 1.52 1.10 -0.55 -4.97 121.20 117.17 1su4 s ILE 140 Ca 0.37 0.00 -0.27 0.00 -0.51 0.00 0.00 60.65 60.25 1su4 s ILE 140 Cb -0.13 -1.00 -0.10 0.00 0.15 0.00 0.00 42.46 41.39 1su4 s ILE 140 CO 0.22 0.00 1.47 -0.54 -2.11 0.00 0.00 174.94 173.97 1su4 s LYS 141 N -2.30 3.89 0.46 3.50 -0.14 -1.26 -3.51 119.74 120.38 1su4 s LYS 141 Ca -0.01 2.52 0.17 0.00 -1.36 0.00 0.00 55.97 57.28 1su4 s LYS 141 Cb -0.01 -2.81 1.13 0.00 -1.68 0.00 0.00 37.83 34.46 1su4 s LYS 141 CO -0.03 -0.69 1.99 0.00 -0.76 0.00 0.00 175.35 175.87 1su4 h ALA 142 N 2.66 2.12 0.00 5.17 0.00 -1.79 -0.90 119.26 126.52 1su4 h ALA 142 Ca -0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1su4 h ALA 142 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1su4 h ALA 142 CO 0.63 -0.25 -0.10 0.07 0.00 0.00 0.00 179.25 179.59 1su4 h ARG 143 N 0.29 0.00 -0.03 0.00 0.11 -1.90 -2.77 114.38 110.08 1su4 h ARG 143 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1su4 h ARG 143 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1su4 h ARG 143 CO -0.06 0.10 0.00 -0.25 0.10 0.00 0.00 179.97 179.86 1su4 n ASP 144 N -3.25 1.25 -4.58 0.08 9.92 -0.34 -0.14 116.55 119.48 1su4 n ASP 144 Ca 0.00 -1.44 -0.43 0.00 -0.53 0.00 0.00 54.79 52.39 1su4 n ASP 144 Cb 0.35 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 1su4 n ASP 144 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1su4 s ILE 145 N -1.98 4.27 0.00 0.53 1.01 -1.05 -4.96 121.20 119.02 1su4 s ILE 145 Ca 0.39 0.91 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 1su4 s ILE 145 Cb 0.21 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1su4 s ILE 145 CO 0.33 -1.03 0.33 0.68 0.00 0.00 0.00 174.94 175.24 1su4 s VAL 146 N 4.28 5.19 0.32 2.92 -7.23 -1.26 -4.25 120.40 120.38 1su4 s VAL 146 Ca 0.42 0.47 -0.28 0.00 -1.81 0.00 0.00 61.98 60.78 1su4 s VAL 146 Cb -0.09 -3.61 -0.13 0.00 0.56 0.00 0.00 36.38 33.12 1su4 s VAL 146 CO 0.28 0.46 1.15 -0.81 -0.31 0.00 0.00 175.10 175.86 1su4 n PRO 147 N 1.44 1.73 0.00 4.82 -0.04 -1.26 -3.09 135.00 138.60 1su4 n PRO 147 Ca -0.13 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1su4 n PRO 147 Cb 0.53 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1su4 n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1su4 n GLY 148 N 1.00 3.31 3.67 0.55 0.00 -0.07 -4.95 105.19 108.70 1su4 n GLY 148 Ca 0.07 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1su4 n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1su4 s ASP 149 N 0.00 2.94 -0.17 1.61 3.84 -1.18 -4.48 116.67 119.23 1su4 s ASP 149 Ca 0.00 1.97 -0.21 0.00 -0.00 0.00 0.00 52.55 54.31 1su4 s ASP 149 Cb 0.00 -2.49 -0.03 0.00 -1.38 0.00 0.00 42.92 39.02 1su4 s ASP 149 CO 0.00 -3.05 0.61 -0.63 -0.00 0.00 0.00 175.17 172.10 1su4 s ILE 150 N -2.69 5.05 0.15 2.11 -1.09 -1.24 -2.71 121.20 120.78 1su4 s ILE 150 Ca 0.66 1.17 0.08 0.00 -2.23 0.00 0.00 60.65 60.32 1su4 s ILE 150 Cb -0.22 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1su4 s ILE 150 CO 0.59 0.16 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.70 1su4 s VAL 151 N 1.57 3.43 -0.14 2.92 1.01 -0.31 -0.70 120.40 128.18 1su4 s VAL 151 Ca 0.29 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1su4 s VAL 151 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1su4 s VAL 151 CO 0.11 -0.03 -0.17 -0.70 0.00 0.00 0.00 175.10 174.31 1su4 s GLU 152 N -2.65 2.54 0.08 2.72 2.12 -0.92 -1.10 118.70 121.49 1su4 s GLU 152 Ca 0.25 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.97 1su4 s GLU 152 Cb -0.10 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 1su4 s GLU 152 CO 0.16 -0.14 -0.09 0.14 -0.54 0.00 0.00 175.26 174.78 1su4 s VAL 153 N 1.19 3.43 0.25 3.70 -7.23 -0.12 -4.32 120.40 117.29 1su4 s VAL 153 Ca -0.00 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.08 1su4 s VAL 153 Cb -0.14 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1su4 s VAL 153 CO -0.07 0.20 0.17 0.00 -0.31 0.00 0.00 175.10 175.09 1su4 n ALA 154 N 0.96 0.48 -1.77 1.32 0.00 -1.26 -1.05 120.51 119.19 1su4 n ALA 154 Ca -0.14 -1.40 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 1su4 n ALA 154 Cb 0.52 1.08 -0.01 0.00 0.00 0.00 0.00 19.45 21.04 1su4 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1su4 s VAL 155 N -2.87 2.42 0.00 0.00 1.01 -0.89 -2.64 120.40 117.44 1su4 s VAL 155 Ca 0.24 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1su4 s VAL 155 Cb 0.01 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1su4 s VAL 155 CO 0.17 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1su4 n GLY 156 N 0.64 0.37 3.98 4.51 0.00 -0.52 -4.91 105.19 109.26 1su4 n GLY 156 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1su4 n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su4 s ASP 157 N -2.04 5.82 -0.10 1.61 1.01 -1.08 -0.44 116.67 121.45 1su4 s ASP 157 Ca 0.00 -0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.26 1su4 s ASP 157 Cb 0.00 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 1su4 s ASP 157 CO 0.00 -0.63 -0.12 -0.75 0.21 0.00 0.00 175.17 173.87 1su4 s LYS 158 N -4.39 3.07 -0.32 8.23 2.47 -1.26 -0.80 119.74 126.73 1su4 s LYS 158 Ca 0.48 -0.66 -0.29 0.00 -1.56 0.00 0.00 55.97 53.94 1su4 s LYS 158 Cb -0.10 -2.57 -0.02 0.00 -1.46 0.00 0.00 37.83 33.69 1su4 s LYS 158 CO 0.35 0.39 1.73 0.08 0.16 0.00 0.00 175.35 178.06 1su4 s VAL 159 N -0.10 3.55 0.08 4.02 1.01 -0.28 -4.91 120.40 123.76 1su4 s VAL 159 Ca -0.01 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1su4 s VAL 159 Cb -0.14 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1su4 s VAL 159 CO 0.03 -0.43 1.68 1.55 0.00 0.00 0.00 175.10 177.93 1su4 h PRO 160 N 12.35 -0.03 -4.78 2.72 0.13 -1.91 0.86 132.00 141.35 1su4 h PRO 160 Ca -0.33 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.46 1su4 h PRO 160 Cb 1.16 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1su4 h PRO 160 CO 1.03 0.04 -0.59 0.00 -0.23 0.00 0.00 178.00 178.26 1su4 s ALA 161 N -5.96 1.62 0.06 -0.56 0.00 -1.26 -4.67 121.76 111.00 1su4 s ALA 161 Ca -0.13 -1.79 -0.31 0.00 0.00 0.00 0.00 51.96 49.73 1su4 s ALA 161 Cb 0.05 1.25 -0.07 0.00 0.00 0.00 0.00 23.12 24.35 1su4 s ALA 161 CO 0.66 -0.54 1.49 -0.51 0.00 0.00 0.00 175.76 176.86 1su4 s ASP 162 N -3.28 6.74 0.02 0.00 1.01 -0.90 -3.74 116.67 116.51 1su4 s ASP 162 Ca 0.38 2.33 0.05 0.00 0.71 0.00 0.00 52.55 56.01 1su4 s ASP 162 Cb 0.06 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1su4 s ASP 162 CO 0.16 -0.76 -0.14 -0.63 0.21 0.00 0.00 175.17 174.00 1su4 s ILE 163 N 2.04 1.13 -0.20 0.77 -1.09 -0.53 -0.86 121.20 122.47 1su4 s ILE 163 Ca 0.68 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 1su4 s ILE 163 Cb -0.36 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 1su4 s ILE 163 CO 0.30 0.15 0.36 -0.60 -1.23 0.00 0.00 174.94 173.91 1su4 s ARG 164 N -0.78 4.18 -0.11 2.79 3.00 0.68 -0.59 118.95 128.11 1su4 s ARG 164 Ca 0.04 0.14 -0.30 0.00 -1.00 0.00 0.00 55.73 54.61 1su4 s ARG 164 Cb -0.07 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.34 1su4 s ARG 164 CO 0.00 0.02 1.35 0.42 0.00 0.00 0.00 175.30 177.09 1su4 s ILE 165 N 1.14 4.08 -0.20 4.11 1.01 -0.84 -0.87 121.20 129.63 1su4 s ILE 165 Ca 0.18 1.34 -0.16 0.00 0.00 0.00 0.00 60.65 62.00 1su4 s ILE 165 Cb -0.14 -3.86 -0.19 0.00 0.01 0.00 0.00 42.46 38.27 1su4 s ILE 165 CO 0.07 -0.09 0.14 0.18 0.00 0.00 0.00 174.94 175.24 1su4 n LEU 166 N 6.40 2.10 -3.68 2.97 4.77 -0.08 -4.71 117.00 124.77 1su4 n LEU 166 Ca 0.14 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1su4 n LEU 166 Cb 0.44 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 1su4 n LEU 166 CO 0.57 0.48 0.08 -0.55 -1.33 0.00 0.00 177.39 176.65 1su4 s SER 167 N -6.98 -0.52 -0.56 -1.43 0.15 -0.85 -4.97 113.70 98.54 1su4 s SER 167 Ca -0.29 0.99 -0.18 0.00 0.70 0.00 0.00 55.95 57.17 1su4 s SER 167 Cb 0.08 0.97 0.10 0.00 -1.71 0.00 0.00 66.02 65.45 1su4 s SER 167 CO 0.62 -0.21 0.63 -0.63 1.20 0.00 0.00 173.24 174.85 1su4 s ILE 168 N 1.68 4.93 0.44 6.45 1.01 -1.26 0.13 121.20 134.57 1su4 s ILE 168 Ca -0.08 -1.02 0.19 0.00 0.00 0.00 0.00 60.65 59.74 1su4 s ILE 168 Cb -0.09 -4.41 0.22 0.00 0.01 0.00 0.00 42.46 38.19 1su4 s ILE 168 CO -0.14 -0.99 2.01 0.11 0.00 0.00 0.00 174.94 175.94 1su4 h LYS 169 N 9.07 0.00 -7.00 2.79 6.56 -1.49 -3.44 116.57 123.06 1su4 h LYS 169 Ca -0.29 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.84 1su4 h LYS 169 Cb 1.09 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 32.82 1su4 h LYS 169 CO 1.05 0.17 0.05 -1.54 -2.06 0.00 0.00 179.45 177.12 1su4 s SER 170 N -6.69 4.64 0.31 0.86 1.04 -0.99 -4.93 113.70 107.94 1su4 s SER 170 Ca -0.04 -0.34 0.12 0.00 0.48 0.00 0.00 55.95 56.17 1su4 s SER 170 Cb 0.15 -0.17 0.49 0.00 0.10 0.00 0.00 66.02 66.59 1su4 s SER 170 CO 0.66 -1.65 1.69 0.71 0.98 0.00 0.00 173.24 175.63 1su4 h THR 171 N -0.32 1.35 -3.44 2.02 1.35 -1.92 -3.45 112.91 108.50 1su4 h THR 171 Ca -0.37 -1.81 -0.12 0.00 -0.55 0.00 0.00 66.41 63.56 1su4 h THR 171 Cb 1.28 1.98 -0.18 0.00 -1.73 0.00 0.00 68.15 69.50 1su4 h THR 171 CO 0.43 0.51 -0.38 0.42 -0.25 0.00 0.00 175.52 176.25 1su4 s THR 172 N -3.80 0.09 -0.21 6.82 -4.23 -1.26 -5.14 115.64 107.92 1su4 s THR 172 Ca -0.02 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1su4 s THR 172 Cb 0.13 -0.77 0.06 0.00 1.34 0.00 0.00 72.50 73.26 1su4 s THR 172 CO 0.75 -0.42 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.17 1su4 s LEU 173 N -1.82 1.84 -0.00 4.79 2.96 -1.26 -3.94 118.68 121.25 1su4 s LEU 173 Ca -0.08 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 52.90 1su4 s LEU 173 Cb -0.03 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1su4 s LEU 173 CO -0.01 -0.25 0.01 -0.13 -1.32 0.00 0.00 176.35 174.65 1su4 s ARG 174 N 1.62 2.83 0.07 1.98 0.52 -0.57 -2.04 118.95 123.36 1su4 s ARG 174 Ca -0.03 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1su4 s ARG 174 Cb -0.17 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1su4 s ARG 174 CO -0.07 0.63 -0.10 0.08 0.02 0.00 0.00 175.30 175.85 1su4 s VAL 175 N -1.10 0.84 -0.50 3.52 1.01 0.55 -1.47 120.40 123.26 1su4 s VAL 175 Ca 0.20 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 1su4 s VAL 175 Cb -0.12 -1.05 0.13 0.00 0.00 0.00 0.00 36.38 35.35 1su4 s VAL 175 CO 0.11 -0.42 0.36 -0.62 0.00 0.00 0.00 175.10 174.53 1su4 s ASP 176 N -1.99 5.69 -0.15 3.32 -1.08 0.19 0.14 116.67 122.78 1su4 s ASP 176 Ca -0.01 -2.04 0.14 0.00 -0.52 0.00 0.00 52.55 50.12 1su4 s ASP 176 Cb -0.07 -2.00 0.67 0.00 -1.46 0.00 0.00 42.92 40.07 1su4 s ASP 176 CO 0.01 -0.65 1.55 0.00 0.52 0.00 0.00 175.17 176.59 1su4 n GLN 177 N 4.72 3.89 -0.15 4.34 6.02 -1.26 -2.52 117.38 132.42 1su4 n GLN 177 Ca -0.05 -2.61 -0.03 0.00 -0.01 0.00 0.00 57.00 54.30 1su4 n GLN 177 Cb 0.41 -1.99 0.05 0.00 1.02 0.00 0.00 30.24 29.73 1su4 n GLN 177 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1su4 h SER 178 N 3.52 -0.15 -0.64 1.08 0.87 -1.58 -0.90 113.55 115.74 1su4 h SER 178 Ca 0.00 0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.85 1su4 h SER 178 Cb 1.54 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.66 1su4 h SER 178 CO 0.32 -0.04 0.73 -0.29 -0.53 0.00 0.00 176.83 177.02 1su4 h ILE 179 N 0.14 0.22 0.00 2.23 2.10 -1.86 -2.99 117.51 117.35 1su4 h ILE 179 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.17 1su4 h ILE 179 Cb 0.34 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 1su4 h ILE 179 CO -0.37 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 176.88 1su4 n LEU 180 N -3.52 0.55 -0.10 2.19 4.77 -0.78 -4.89 117.00 115.22 1su4 n LEU 180 Ca 0.13 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1su4 n LEU 180 Cb 0.96 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1su4 n LEU 180 CO 0.26 -0.64 0.87 0.71 -1.33 0.00 0.00 177.39 177.25 1su4 h THR 181 N 0.00 1.20 0.00 -5.08 1.35 -1.32 -3.48 112.91 105.58 1su4 h THR 181 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1su4 h THR 181 Cb 0.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1su4 h THR 181 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1su4 n GLY 182 N -0.66 0.67 3.65 5.82 0.00 -1.13 -5.03 105.19 108.51 1su4 n GLY 182 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.94 1su4 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1su4 s GLU 183 N 0.00 0.01 0.17 1.61 2.12 -1.26 -4.96 118.70 116.39 1su4 s GLU 183 Ca 0.00 0.01 0.26 0.00 0.36 0.00 0.00 54.97 55.60 1su4 s GLU 183 Cb 0.00 0.00 0.75 0.00 0.26 0.00 0.00 34.13 35.14 1su4 s GLU 183 CO 0.00 -0.00 1.69 -1.13 -0.54 0.00 0.00 175.26 175.28 1su4 n SER 184 N 2.81 0.71 -4.55 -1.70 3.41 -1.26 -1.42 113.62 111.62 1su4 n SER 184 Ca -0.16 0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 58.56 1su4 n SER 184 Cb 0.56 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1su4 n SER 184 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1su4 s VAL 185 N -3.10 3.13 0.27 -3.33 1.01 -1.26 -4.86 120.40 112.26 1su4 s VAL 185 Ca 0.10 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 1su4 s VAL 185 Cb 0.13 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 1su4 s VAL 185 CO 0.62 -0.34 0.20 -1.54 0.00 0.00 0.00 175.10 174.04 1su4 n SER 186 N 15.01 -1.84 -4.53 3.32 3.41 -1.26 -4.85 113.62 122.88 1su4 n SER 186 Ca 0.32 0.75 -0.31 0.00 -0.26 0.00 0.00 58.87 59.37 1su4 n SER 186 Cb 0.53 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1su4 n SER 186 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1su4 s VAL 187 N -1.16 3.21 0.12 -3.33 -7.23 0.38 -4.81 120.40 107.58 1su4 s VAL 187 Ca 0.49 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.40 1su4 s VAL 187 Cb -0.60 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1su4 s VAL 187 CO 0.49 0.31 0.64 -0.63 -0.31 0.00 0.00 175.10 175.60 1su4 s ILE 188 N -1.01 4.63 0.47 -0.62 1.01 -1.26 -0.33 121.20 124.09 1su4 s ILE 188 Ca 0.17 1.31 0.06 0.00 0.00 0.00 0.00 60.65 62.19 1su4 s ILE 188 Cb -0.11 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1su4 s ILE 188 CO 0.08 0.48 0.21 -0.54 0.00 0.00 0.00 174.94 175.16 1su4 s LYS 189 N -1.31 2.23 0.38 2.79 -0.14 -0.87 -4.89 119.74 117.94 1su4 s LYS 189 Ca 0.33 -1.99 -0.09 0.00 -1.36 0.00 0.00 55.97 52.86 1su4 s LYS 189 Cb -0.20 -1.93 0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1su4 s LYS 189 CO 0.21 -0.30 0.66 -3.38 -0.76 0.00 0.00 175.35 171.78 1su4 s HIS 190 N -2.70 0.62 -0.90 3.18 -3.43 -0.86 -4.77 115.29 106.43 1su4 s HIS 190 Ca 0.33 -1.10 0.08 0.00 -0.80 0.00 0.00 55.06 53.57 1su4 s HIS 190 Cb 0.02 0.41 0.04 0.00 -1.43 0.00 0.00 32.58 31.62 1su4 s HIS 190 CO 0.19 -1.41 0.67 0.25 -2.00 0.00 0.00 174.74 172.44 1su4 n THR 191 N -0.57 0.00 -1.91 -5.38 -2.24 -1.26 -4.31 114.28 98.60 1su4 n THR 191 Ca -0.04 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 1su4 n THR 191 Cb 0.61 1.14 0.04 0.00 -2.10 0.00 0.00 70.33 70.01 1su4 n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1su4 s GLU 192 N -0.89 2.90 0.63 -0.78 0.41 -1.26 -4.57 118.70 115.14 1su4 s GLU 192 Ca 0.08 1.62 -0.13 0.00 -0.41 0.00 0.00 54.97 56.14 1su4 s GLU 192 Cb 0.07 -1.94 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1su4 s GLU 192 CO 0.14 -1.22 1.04 -1.25 -0.49 0.00 0.00 175.26 173.48 1su4 s PRO 193 N -3.64 3.36 -0.69 0.39 0.04 -1.26 -4.77 135.00 128.42 1su4 s PRO 193 Ca 0.72 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1su4 s PRO 193 Cb -0.25 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.42 1su4 s PRO 193 CO 0.36 -0.76 0.55 0.08 0.04 0.00 0.00 177.00 177.27 1su4 s VAL 194 N -2.92 4.46 0.26 -0.36 1.01 0.22 -4.99 120.40 118.09 1su4 s VAL 194 Ca 0.58 -2.69 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 1su4 s VAL 194 Cb -0.13 -3.84 0.40 0.00 0.00 0.00 0.00 36.38 32.81 1su4 s VAL 194 CO 0.48 -0.93 1.41 -0.81 0.00 0.00 0.00 175.10 175.25 1su4 n PRO 195 N 3.78 -0.08 -2.05 2.72 -0.04 -1.26 -4.11 135.00 133.96 1su4 n PRO 195 Ca 0.09 1.38 -0.43 0.00 -0.04 0.00 0.00 63.50 64.50 1su4 n PRO 195 Cb 0.41 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1su4 n PRO 195 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1su4 s ASP 196 N -5.13 6.18 0.21 3.54 2.15 -1.26 -4.87 116.67 117.49 1su4 s ASP 196 Ca -0.13 1.52 -0.03 0.00 0.43 0.00 0.00 52.55 54.35 1su4 s ASP 196 Cb 0.25 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.53 1su4 s ASP 196 CO 0.70 -1.44 1.58 1.55 -0.17 0.00 0.00 175.17 177.40 1su4 h PRO 197 N 11.61 0.62 -2.21 4.34 0.13 -1.99 -3.23 132.00 141.28 1su4 h PRO 197 Ca -0.34 -0.31 -0.68 0.00 -0.87 0.00 0.00 66.00 63.80 1su4 h PRO 197 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1su4 h PRO 197 CO 1.01 0.91 1.18 0.54 -0.23 0.00 0.00 178.00 181.41 1su4 n ARG 198 N -4.04 3.60 -4.09 0.86 5.12 -1.26 -4.95 116.66 111.90 1su4 n ARG 198 Ca -0.02 -3.30 -0.26 0.00 -1.93 0.00 0.00 57.85 52.34 1su4 n ARG 198 Cb 0.51 -2.36 -0.05 0.00 -1.16 0.00 0.00 32.46 29.40 1su4 n ARG 198 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1su4 s ALA 199 N -2.53 3.55 0.39 7.54 0.00 -1.22 -5.11 121.76 124.38 1su4 s ALA 199 Ca 0.53 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1su4 s ALA 199 Cb 0.31 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.98 1su4 s ALA 199 CO -0.21 0.48 0.89 0.08 0.00 0.00 0.00 175.76 177.00 1su4 s VAL 200 N -1.78 4.44 0.43 0.00 1.01 -1.26 -4.91 120.40 118.33 1su4 s VAL 200 Ca 0.31 1.39 0.26 0.00 0.00 0.00 0.00 61.98 63.94 1su4 s VAL 200 Cb -0.10 -3.65 0.45 0.00 0.00 0.00 0.00 36.38 33.09 1su4 s VAL 200 CO 0.23 -0.23 1.68 0.78 0.00 0.00 0.00 175.10 177.56 1su4 h ASN 201 N 2.15 0.31 0.28 3.32 2.35 -1.99 0.89 115.58 122.89 1su4 h ASN 201 Ca -0.48 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1su4 h ASN 201 Cb 1.18 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1su4 h ASN 201 CO 0.62 -0.08 0.00 1.67 -1.65 0.00 0.00 177.43 177.99 1su4 n GLN 202 N -4.66 0.07 -0.00 0.81 7.27 -1.26 -1.73 117.38 117.88 1su4 n GLN 202 Ca 0.33 0.26 0.05 0.00 0.07 0.00 0.00 57.00 57.71 1su4 n GLN 202 Cb 1.22 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 32.31 1su4 n GLN 202 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1su4 n ASP 203 N -1.40 1.03 -3.54 1.69 8.00 0.31 -4.68 116.55 117.95 1su4 n ASP 203 Ca 0.04 -0.55 -0.40 0.00 0.71 0.00 0.00 54.79 54.58 1su4 n ASP 203 Cb 0.10 1.13 -0.00 0.00 -0.02 0.00 0.00 41.12 42.33 1su4 n ASP 203 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1su4 n LYS 204 N -1.41 4.45 -0.67 -1.24 5.02 -0.70 -4.79 118.16 118.81 1su4 n LYS 204 Ca 0.01 -3.47 -0.04 0.00 -2.02 0.00 0.00 58.31 52.78 1su4 n LYS 204 Cb 0.19 -2.67 -0.05 0.00 -0.02 0.00 0.00 35.03 32.48 1su4 n LYS 204 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1su4 n LYS 205 N 2.04 1.34 0.00 1.97 2.85 -1.26 -2.58 118.16 122.52 1su4 n LYS 205 Ca 0.59 -0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1su4 n LYS 205 Cb 0.26 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1su4 n LYS 205 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1su4 n ASN 206 N 1.75 0.00 -4.22 -5.58 6.94 -1.26 -2.03 115.26 110.87 1su4 n ASN 206 Ca 0.14 -1.00 -0.23 0.00 -0.02 0.00 0.00 54.58 53.47 1su4 n ASN 206 Cb 0.63 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.91 1su4 n ASN 206 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1su4 s MET 207 N 0.00 1.15 -0.43 -3.83 -1.94 -1.06 -1.99 119.30 111.21 1su4 s MET 207 Ca 0.00 -0.92 -0.09 0.00 -1.71 0.00 0.00 55.69 52.98 1su4 s MET 207 Cb 0.00 -1.25 0.09 0.00 2.01 0.00 0.00 34.83 35.68 1su4 s MET 207 CO 0.00 0.31 0.27 -0.51 -0.01 0.00 0.00 175.02 175.08 1su4 s LEU 208 N -1.33 5.25 -0.07 -0.03 1.43 0.24 -4.96 118.68 119.21 1su4 s LEU 208 Ca 0.05 -1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 51.23 1su4 s LEU 208 Cb -0.09 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1su4 s LEU 208 CO 0.02 -0.57 1.25 -0.36 0.23 0.00 0.00 176.35 176.92 1su4 s PHE 209 N 1.39 3.05 0.28 0.29 0.08 -1.26 -1.45 117.98 120.36 1su4 s PHE 209 Ca 0.04 1.10 -0.28 0.00 0.12 0.00 0.00 56.93 57.91 1su4 s PHE 209 Cb -0.24 -3.48 -0.14 0.00 -0.57 0.00 0.00 43.02 38.59 1su4 s PHE 209 CO 0.01 -1.58 0.98 0.45 -0.10 0.00 0.00 175.22 174.97 1su4 n SER 210 N 5.57 1.13 0.00 1.36 2.88 -1.25 -1.98 113.62 121.34 1su4 n SER 210 Ca 0.12 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1su4 n SER 210 Cb 0.45 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1su4 n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1su4 n GLY 211 N 1.28 0.76 3.97 0.46 0.00 0.30 -4.65 105.19 107.31 1su4 n GLY 211 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1su4 n GLY 211 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1su4 s THR 212 N -2.99 4.41 -0.03 2.61 -1.32 -0.84 -4.86 115.64 112.62 1su4 s THR 212 Ca 0.00 -0.80 0.07 0.00 -1.21 0.00 0.00 61.69 59.75 1su4 s THR 212 Cb 0.00 -3.57 -0.02 0.00 -1.51 0.00 0.00 72.50 67.40 1su4 s THR 212 CO 0.00 -0.29 -0.24 0.20 -2.21 0.00 0.00 174.62 172.09 1su4 s ASN 213 N -4.13 3.24 -0.39 8.08 0.01 -1.05 -1.13 114.94 119.57 1su4 s ASN 213 Ca 0.43 -0.42 -0.29 0.00 -0.71 0.00 0.00 52.86 51.88 1su4 s ASN 213 Cb -0.10 -0.44 0.01 0.00 0.41 0.00 0.00 41.25 41.14 1su4 s ASN 213 CO 0.33 0.32 1.31 -0.63 -1.51 0.00 0.00 177.10 176.92 1su4 s ILE 214 N -0.63 4.07 -0.25 0.60 -1.09 0.02 0.52 121.20 124.44 1su4 s ILE 214 Ca 0.10 1.13 0.18 0.00 -2.23 0.00 0.00 60.65 59.83 1su4 s ILE 214 Cb -0.10 -4.28 0.14 0.00 -1.58 0.00 0.00 42.46 36.63 1su4 s ILE 214 CO -0.01 -0.71 1.45 0.00 -1.23 0.00 0.00 174.94 174.44 1su4 h ALA 215 N 9.85 0.77 -1.25 9.38 0.00 -1.56 -1.38 119.26 135.07 1su4 h ALA 215 Ca -0.26 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 54.52 1su4 h ALA 215 Cb 1.09 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.59 1su4 h ALA 215 CO 1.08 0.42 0.81 0.00 0.00 0.00 0.00 179.25 181.55 1su4 s ALA 216 N -3.05 -2.05 0.00 0.00 0.00 -1.06 -4.81 121.76 110.79 1su4 s ALA 216 Ca 0.04 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1su4 s ALA 216 Cb 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1su4 s ALA 216 CO 0.73 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1su4 n GLY 217 N 0.58 -3.33 2.88 0.00 0.00 -1.25 -1.51 105.19 102.55 1su4 n GLY 217 Ca -0.04 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1su4 n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1su4 s LYS 218 N -0.80 0.15 0.02 1.61 2.20 -1.26 -2.10 119.74 119.56 1su4 s LYS 218 Ca 0.00 -0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 1su4 s LYS 218 Cb 0.00 -0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 1su4 s LYS 218 CO 0.00 -0.01 0.23 0.00 -0.36 0.00 0.00 175.35 175.21 1su4 s ALA 219 N 0.22 -0.51 0.09 3.13 0.00 -0.21 -1.15 121.76 123.33 1su4 s ALA 219 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1su4 s ALA 219 Cb -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1su4 s ALA 219 CO -0.01 -0.31 0.06 -1.17 0.00 0.00 0.00 175.76 174.33 1su4 s LEU 220 N -1.74 3.70 0.32 0.00 2.96 0.34 -0.94 118.68 123.32 1su4 s LEU 220 Ca -0.09 -0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.57 1su4 s LEU 220 Cb -0.03 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1su4 s LEU 220 CO -0.01 0.16 0.87 -0.83 -1.32 0.00 0.00 176.35 175.23 1su4 s GLY 221 N -2.43 0.29 -0.04 7.98 0.00 -0.26 -0.90 107.32 111.97 1su4 s GLY 221 Ca 0.28 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.41 1su4 s GLY 221 CO 0.21 0.57 -0.10 -1.50 0.00 0.00 0.00 173.10 172.29 1su4 s ILE 222 N -2.25 0.86 -0.14 0.90 2.07 -0.05 -1.16 121.20 121.42 1su4 s ILE 222 Ca 0.18 -0.37 -0.29 0.00 -1.41 0.00 0.00 60.65 58.75 1su4 s ILE 222 Cb -0.04 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1su4 s ILE 222 CO 0.09 0.27 1.72 -0.69 -1.91 0.00 0.00 174.94 174.43 1su4 s VAL 223 N 0.37 3.53 -0.16 4.00 1.01 -1.10 -0.23 120.40 127.81 1su4 s VAL 223 Ca -0.07 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1su4 s VAL 223 Cb -0.11 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.62 1su4 s VAL 223 CO 0.01 -0.16 0.30 0.00 0.00 0.00 0.00 175.10 175.25 1su4 h ALA 224 N 10.76 0.11 -2.84 5.51 0.00 -1.34 -0.15 119.26 131.31 1su4 h ALA 224 Ca -0.38 -0.73 -0.16 0.00 0.00 0.00 0.00 54.91 53.65 1su4 h ALA 224 Cb 1.18 0.38 -0.20 0.00 0.00 0.00 0.00 17.79 19.15 1su4 h ALA 224 CO 0.98 0.37 -0.60 0.95 0.00 0.00 0.00 179.25 180.95 1su4 s THR 225 N -2.20 0.10 0.00 0.00 -4.23 -1.19 -2.32 115.64 105.81 1su4 s THR 225 Ca -0.20 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1su4 s THR 225 Cb 0.02 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1su4 s THR 225 CO 0.49 -0.46 0.00 0.35 -0.54 0.00 0.00 174.62 174.46 1su4 n THR 226 N 1.46 0.00 -0.53 3.99 -2.24 -1.26 -2.12 114.28 113.57 1su4 n THR 226 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1su4 n THR 226 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1su4 n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su4 n GLY 227 N 2.85 1.41 0.06 3.38 0.00 -1.26 -0.59 105.19 111.05 1su4 n GLY 227 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1su4 n GLY 227 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1su4 n VAL 228 N 0.00 0.90 0.40 1.61 3.14 -1.21 -1.43 118.33 121.74 1su4 n VAL 228 Ca 0.00 0.23 0.12 0.00 -2.96 0.00 0.00 64.34 61.73 1su4 n VAL 228 Cb 0.00 -1.06 0.49 0.00 -1.06 0.00 0.00 33.84 32.21 1su4 n VAL 228 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1su4 n SER 229 N -1.85 0.69 -4.68 6.55 7.64 0.24 -3.60 113.62 118.62 1su4 n SER 229 Ca 0.03 0.67 -0.36 0.00 1.01 0.00 0.00 58.87 60.22 1su4 n SER 229 Cb 0.20 -0.81 0.09 0.00 -1.01 0.00 0.00 64.21 62.68 1su4 n SER 229 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1su4 n THR 230 N -2.25 3.39 0.14 0.44 -1.04 -0.51 -4.73 114.28 109.71 1su4 n THR 230 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1su4 n THR 230 Cb 0.24 -1.28 0.28 0.00 -1.82 0.00 0.00 70.33 67.75 1su4 n THR 230 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1su4 h GLU 231 N -0.15 0.09 0.05 -2.82 4.57 -1.88 -0.70 114.58 113.73 1su4 h GLU 231 Ca -0.48 -0.04 -0.29 0.00 -1.18 0.00 0.00 59.36 57.37 1su4 h GLU 231 Cb 1.33 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 1su4 h GLU 231 CO 0.49 0.50 -1.55 0.97 -1.18 0.00 0.00 179.01 178.24 1su4 h ILE 232 N 0.07 1.08 0.00 2.32 2.10 -1.91 -3.28 117.51 117.89 1su4 h ILE 232 Ca 0.00 -2.83 -0.01 0.00 1.08 0.00 0.00 64.86 63.10 1su4 h ILE 232 Cb 0.79 2.62 -0.00 0.00 -1.09 0.00 0.00 36.82 39.14 1su4 h ILE 232 CO 0.06 0.73 -0.05 1.23 -1.08 0.00 0.00 178.15 179.03 1su4 h GLY 233 N 2.58 0.00 -1.54 8.18 0.00 -1.71 0.74 103.07 111.31 1su4 h GLY 233 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1su4 h GLY 233 CO 0.12 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.94 1su4 n LYS 234 N -3.26 2.00 0.00 4.80 5.02 -0.30 -1.43 118.16 124.98 1su4 n LYS 234 Ca -0.01 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1su4 n LYS 234 Cb 0.23 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1su4 n LYS 234 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1su4 n ILE 235 N 0.76 0.00 1.32 -0.18 2.08 -0.18 -4.54 119.36 118.62 1su4 n ILE 235 Ca 0.15 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.59 1su4 n ILE 235 Cb 0.37 -0.07 0.38 0.00 -0.75 0.00 0.00 39.64 39.57 1su4 n ILE 235 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1su4 n ARG 236 N -1.30 1.89 0.11 0.38 3.00 0.24 -3.61 116.66 117.37 1su4 n ARG 236 Ca 0.00 -1.30 0.12 0.00 -0.00 0.00 0.00 57.85 56.68 1su4 n ARG 236 Cb 0.15 -1.47 0.20 0.00 0.00 0.00 0.00 32.46 31.33 1su4 n ARG 236 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1su4 h ASP 237 N 3.15 0.00 1.08 6.15 3.58 -1.47 -2.35 116.42 126.56 1su4 h ASP 237 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1su4 h ASP 237 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1su4 h ASP 237 CO 0.00 0.04 0.00 1.67 -2.88 0.00 0.00 179.24 178.07 1su4 n GLN 238 N -2.44 0.14 -0.01 0.28 -0.06 -1.24 -2.24 117.38 111.81 1su4 n GLN 238 Ca 0.03 0.19 0.02 0.00 -2.00 0.00 0.00 57.00 55.24 1su4 n GLN 238 Cb 0.47 -1.69 0.02 0.00 -4.06 0.00 0.00 30.24 24.99 1su4 n GLN 238 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1su4 n MET 239 N -1.93 0.06 0.00 3.69 2.81 -1.14 -4.66 117.12 115.95 1su4 n MET 239 Ca 0.05 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 1su4 n MET 239 Cb 0.34 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1su4 n MET 239 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1su4 n ALA 240 N 0.16 0.00 0.19 3.04 0.00 -0.90 -4.21 120.51 118.78 1su4 n ALA 240 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1su4 n ALA 240 Cb 0.13 0.12 0.04 0.00 0.00 0.00 0.00 19.45 19.74 1su4 n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su4 n ALA 241 N -1.74 2.40 -2.99 0.00 0.00 -1.26 -4.77 120.51 112.14 1su4 n ALA 241 Ca 0.00 -0.67 -0.44 0.00 0.00 0.00 0.00 53.44 52.33 1su4 n ALA 241 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 1su4 n ALA 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1su4 s THR 242 N -0.64 4.99 0.21 0.00 2.01 -1.26 -4.97 115.64 115.99 1su4 s THR 242 Ca 0.09 -2.14 -0.20 0.00 0.31 0.00 0.00 61.69 59.75 1su4 s THR 242 Cb 0.06 -4.79 0.04 0.00 0.01 0.00 0.00 72.50 67.82 1su4 s THR 242 CO 0.08 -1.49 0.61 -1.83 -0.69 0.00 0.00 174.62 171.31 1su4 s GLU 243 N 1.84 1.49 -0.35 4.92 -1.05 -1.26 -4.70 118.70 119.58 1su4 s GLU 243 Ca 0.35 -0.80 0.01 0.00 -0.15 0.00 0.00 54.97 54.39 1su4 s GLU 243 Cb -0.05 0.57 0.15 0.00 -0.44 0.00 0.00 34.13 34.36 1su4 s GLU 243 CO -0.06 -0.66 0.31 -1.14 0.95 0.00 0.00 175.26 174.66 1su4 s GLN 244 N -3.85 0.54 -0.24 -4.83 -0.44 -1.26 -5.12 119.66 104.45 1su4 s GLN 244 Ca 0.08 -0.86 -0.21 0.00 -2.50 0.00 0.00 55.36 51.87 1su4 s GLN 244 Cb -0.03 -0.89 0.06 0.00 -1.64 0.00 0.00 33.01 30.52 1su4 s GLN 244 CO -0.02 -1.17 0.64 -0.51 0.50 0.00 0.00 175.29 174.73 1su4 s ASP 245 N 1.51 -0.70 -0.01 6.67 1.01 -1.26 -5.17 116.67 118.72 1su4 s ASP 245 Ca 0.16 1.31 -0.06 0.00 0.71 0.00 0.00 52.55 54.66 1su4 s ASP 245 Cb -0.17 1.29 0.00 0.00 1.01 0.00 0.00 42.92 45.06 1su4 s ASP 245 CO -0.08 -0.22 0.13 -0.54 0.21 0.00 0.00 175.17 174.66 1su4 s LYS 246 N 0.59 0.41 0.72 8.23 1.02 -1.26 -5.16 119.74 124.29 1su4 s LYS 246 Ca -0.02 -0.28 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1su4 s LYS 246 Cb -0.05 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1su4 s LYS 246 CO -0.03 -0.09 1.10 0.95 -0.92 0.00 0.00 175.35 176.36 1su4 s THR 247 N -1.07 3.24 0.43 2.17 -4.23 -1.26 -4.81 115.64 110.12 1su4 s THR 247 Ca -0.12 0.49 0.21 0.00 -1.18 0.00 0.00 61.69 61.09 1su4 s THR 247 Cb -0.06 -2.99 0.41 0.00 1.34 0.00 0.00 72.50 71.19 1su4 s THR 247 CO 0.01 -0.44 1.83 -0.65 -0.54 0.00 0.00 174.62 174.83 1su4 h PRO 248 N -0.54 0.32 -0.07 3.99 0.11 -1.96 -0.91 132.00 132.94 1su4 h PRO 248 Ca -0.45 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1su4 h PRO 248 Cb 1.24 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1su4 h PRO 248 CO 0.52 0.21 -0.58 1.25 -0.21 0.00 0.00 178.00 179.20 1su4 h LEU 249 N 0.33 0.63 -1.72 2.35 6.46 -1.93 -2.68 115.31 118.75 1su4 h LEU 249 Ca 0.51 -0.68 0.01 0.00 -0.12 0.00 0.00 57.88 57.60 1su4 h LEU 249 Cb 1.41 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.13 1su4 h LEU 249 CO -0.18 1.21 0.20 1.56 -0.62 0.00 0.00 178.44 180.61 1su4 h GLN 250 N 0.10 0.37 -0.19 1.25 4.20 -1.55 0.75 115.11 120.05 1su4 h GLN 250 Ca -0.05 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 1su4 h GLN 250 Cb 1.24 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1su4 h GLN 250 CO 0.12 0.25 -0.51 1.96 -0.67 0.00 0.00 178.83 179.98 1su4 h GLN 251 N 0.39 0.53 -0.29 1.46 4.20 -1.30 -1.55 115.11 118.55 1su4 h GLN 251 Ca 0.11 -0.31 -0.19 0.00 0.06 0.00 0.00 58.65 58.32 1su4 h GLN 251 Cb -0.01 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1su4 h GLN 251 CO -0.03 0.91 -0.56 0.87 -0.67 0.00 0.00 178.83 179.36 1su4 h LYS 252 N 0.41 0.88 -0.32 1.46 1.57 -0.83 -2.10 116.57 117.65 1su4 h LYS 252 Ca 0.02 -0.57 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 1su4 h LYS 252 Cb 1.03 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1su4 h LYS 252 CO 0.09 1.20 0.08 -0.07 -0.57 0.00 0.00 179.45 180.19 1su4 h LEU 253 N 0.67 0.49 -0.69 2.94 4.07 -0.85 -0.51 115.31 121.43 1su4 h LEU 253 Ca 0.01 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.69 1su4 h LEU 253 Cb 1.17 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1su4 h LEU 253 CO 0.12 0.59 0.23 0.44 -1.08 0.00 0.00 178.44 178.75 1su4 h ASP 254 N 0.36 0.99 -0.27 -0.43 5.19 -1.31 0.21 116.42 121.16 1su4 h ASP 254 Ca 0.10 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1su4 h ASP 254 Cb 0.30 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1su4 h ASP 254 CO 0.00 0.93 0.12 -0.08 -3.12 0.00 0.00 179.24 177.09 1su4 h GLU 255 N 1.01 0.46 -0.05 3.56 4.81 -1.19 0.36 114.58 123.54 1su4 h GLU 255 Ca 0.22 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1su4 h GLU 255 Cb 0.28 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1su4 h GLU 255 CO -0.01 0.39 -0.47 0.35 -0.73 0.00 0.00 179.01 178.55 1su4 h PHE 256 N 0.46 0.56 -0.19 0.92 3.57 -0.27 -2.64 116.94 119.35 1su4 h PHE 256 Ca 0.11 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1su4 h PHE 256 Cb 0.11 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1su4 h PHE 256 CO 0.00 1.05 0.07 0.78 -2.23 0.00 0.00 178.31 177.99 1su4 h GLY 257 N -0.10 0.31 1.44 2.40 0.00 -0.18 -0.64 103.07 106.31 1su4 h GLY 257 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1su4 h GLY 257 CO 0.09 0.16 0.33 -2.09 0.00 0.00 0.00 176.54 175.03 1su4 h GLU 258 N 0.15 0.56 0.00 4.80 4.81 -1.02 0.13 114.58 124.00 1su4 h GLU 258 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1su4 h GLU 258 Cb 0.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1su4 h GLU 258 CO -0.00 0.37 -0.24 0.00 -0.73 0.00 0.00 179.01 178.41 1su4 n GLN 259 N -4.47 0.14 -0.00 1.92 10.64 -1.00 -3.16 117.38 121.45 1su4 n GLN 259 Ca 0.05 0.08 -0.12 0.00 -1.83 0.00 0.00 57.00 55.19 1su4 n GLN 259 Cb 0.12 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 27.73 1su4 n GLN 259 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1su4 h LEU 260 N 0.00 0.11 -1.62 2.61 3.38 0.42 -3.03 115.31 117.18 1su4 h LEU 260 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1su4 h LEU 260 Cb 0.63 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1su4 h LEU 260 CO 0.00 1.20 0.00 -1.28 0.09 0.00 0.00 178.44 178.45 1su4 h SER 261 N 0.02 0.00 0.03 -0.43 0.87 -0.78 -1.59 113.55 111.67 1su4 h SER 261 Ca -0.29 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.89 1su4 h SER 261 Cb 2.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.91 1su4 h SER 261 CO 0.09 0.00 -2.16 0.29 -0.53 0.00 0.00 176.83 174.52 1su4 n LYS 262 N -2.68 0.64 -0.12 2.24 5.02 -1.20 -3.65 118.16 118.41 1su4 n LYS 262 Ca -0.00 0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1su4 n LYS 262 Cb 0.17 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1su4 n LYS 262 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1su4 h VAL 263 N -0.48 1.11 0.58 -0.18 2.07 -1.39 -1.28 116.25 116.67 1su4 h VAL 263 Ca -0.54 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1su4 h VAL 263 Cb 1.73 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1su4 h VAL 263 CO -0.18 0.11 -0.28 0.40 0.02 0.00 0.00 177.57 177.64 1su4 h ILE 264 N 0.50 0.41 -0.58 4.57 1.08 -1.51 -1.73 117.51 120.26 1su4 h ILE 264 Ca 0.14 -0.13 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 1su4 h ILE 264 Cb -0.04 0.46 -0.11 0.00 -3.07 0.00 0.00 36.82 34.06 1su4 h ILE 264 CO -0.03 0.02 -0.27 0.28 -0.69 0.00 0.00 178.15 177.46 1su4 h SER 265 N -0.86 -0.96 0.48 1.72 0.02 -1.60 -0.54 113.55 111.81 1su4 h SER 265 Ca -0.08 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1su4 h SER 265 Cb 0.63 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1su4 h SER 265 CO 0.13 -0.28 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.24 1su4 h LEU 266 N -0.13 -0.54 -1.51 5.07 3.38 -1.19 0.67 115.31 121.06 1su4 h LEU 266 Ca 0.25 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.50 1su4 h LEU 266 Cb 0.53 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1su4 h LEU 266 CO -0.65 -0.38 0.68 0.16 0.09 0.00 0.00 178.44 178.34 1su4 h ILE 267 N -0.65 0.53 -0.03 1.22 3.07 -1.16 0.21 117.51 120.70 1su4 h ILE 267 Ca -0.07 -0.11 -0.10 0.00 1.55 0.00 0.00 64.86 66.13 1su4 h ILE 267 Cb 0.49 0.19 0.01 0.00 -0.27 0.00 0.00 36.82 37.24 1su4 h ILE 267 CO 0.11 0.06 -0.38 0.00 -1.05 0.00 0.00 178.15 176.89 1su4 h VAL 269 N -0.24 0.08 -0.02 0.00 2.07 0.11 -0.31 116.25 117.93 1su4 h VAL 269 Ca -0.04 -0.11 -0.26 0.00 0.82 0.00 0.00 66.70 67.12 1su4 h VAL 269 Cb 1.08 1.10 0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1su4 h VAL 269 CO 0.08 0.01 -0.99 0.00 0.02 0.00 0.00 177.57 176.68 1su4 h ALA 270 N 1.99 0.15 -0.83 1.67 0.00 -0.40 -2.83 119.26 119.02 1su4 h ALA 270 Ca -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.29 1su4 h ALA 270 Cb 0.10 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1su4 h ALA 270 CO 0.00 0.67 0.51 0.28 0.00 0.00 0.00 179.25 180.71 1su4 h VAL 271 N 0.39 1.06 0.00 0.00 2.07 -0.13 0.24 116.25 119.88 1su4 h VAL 271 Ca -0.12 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1su4 h VAL 271 Cb 1.64 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1su4 h VAL 271 CO 0.20 0.17 -0.36 -0.25 0.02 0.00 0.00 177.57 177.35 1su4 h TRP 272 N 0.95 0.00 0.09 1.57 7.01 -1.51 -3.16 115.95 120.90 1su4 h TRP 272 Ca 0.35 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 61.19 1su4 h TRP 272 Cb 0.13 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1su4 h TRP 272 CO -0.04 0.36 -0.79 -0.07 -2.79 0.00 0.00 178.44 175.11 1su4 h LEU 273 N 0.00 0.31 0.00 0.65 3.38 -0.93 -3.26 115.31 115.46 1su4 h LEU 273 Ca -0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1su4 h LEU 273 Cb 0.85 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1su4 h LEU 273 CO 0.05 1.36 0.00 2.30 0.09 0.00 0.00 178.44 182.24 1su4 n ILE 274 N -4.21 0.00 -0.31 1.22 -5.35 0.71 -2.14 119.36 109.28 1su4 n ILE 274 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1su4 n ILE 274 Cb 0.75 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1su4 n ILE 274 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1su4 n ASN 275 N -0.59 1.00 0.32 7.28 3.02 -1.19 -4.69 115.26 120.41 1su4 n ASN 275 Ca 0.02 -1.30 0.20 0.00 -0.03 0.00 0.00 54.58 53.47 1su4 n ASN 275 Cb 0.01 0.00 1.09 0.00 -0.61 0.00 0.00 39.78 40.27 1su4 n ASN 275 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1su4 h ILE 276 N 0.58 0.16 0.00 2.41 -2.65 -1.47 0.35 117.51 116.89 1su4 h ILE 276 Ca 0.00 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.89 1su4 h ILE 276 Cb 0.37 0.96 0.00 0.00 -2.05 0.00 0.00 36.82 36.10 1su4 h ILE 276 CO 0.00 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.79 1su4 n GLY 277 N -1.17 -0.91 0.13 0.16 0.00 -1.26 -2.52 105.19 99.62 1su4 n GLY 277 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1su4 n GLY 277 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su4 n HIS 278 N -0.58 0.00 0.65 1.61 8.25 0.12 -4.68 115.22 120.59 1su4 n HIS 278 Ca 0.04 -0.51 0.13 0.00 -0.26 0.00 0.00 57.72 57.12 1su4 n HIS 278 Cb 0.02 -0.08 0.41 0.00 1.12 0.00 0.00 29.99 31.46 1su4 n HIS 278 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1su4 n PHE 279 N -0.68 0.88 -0.84 4.41 3.01 -1.05 -3.62 117.46 119.57 1su4 n PHE 279 Ca 0.06 0.25 0.08 0.00 1.01 0.00 0.00 57.45 58.86 1su4 n PHE 279 Cb 0.53 -0.91 0.18 0.00 -0.01 0.00 0.00 39.48 39.27 1su4 n PHE 279 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1su4 n ASN 280 N -2.22 3.06 -4.73 4.37 5.03 -1.26 -3.90 115.26 115.61 1su4 n ASN 280 Ca 0.06 -2.84 -0.32 0.00 0.87 0.00 0.00 54.58 52.34 1su4 n ASN 280 Cb 0.43 -0.42 0.10 0.00 -1.02 0.00 0.00 39.78 38.86 1su4 n ASN 280 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1su4 s ASP 281 N -2.09 4.20 0.33 6.41 1.01 -1.24 -4.32 116.67 120.97 1su4 s ASP 281 Ca 0.33 2.11 0.08 0.00 0.71 0.00 0.00 52.55 55.77 1su4 s ASP 281 Cb 0.26 -2.56 0.56 0.00 1.01 0.00 0.00 42.92 42.20 1su4 s ASP 281 CO 0.07 -2.25 1.77 1.55 0.21 0.00 0.00 175.17 176.52 1su4 h PRO 282 N -0.77 0.24 0.00 8.23 0.13 -1.94 -1.73 132.00 136.16 1su4 h PRO 282 Ca -0.45 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1su4 h PRO 282 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1su4 h PRO 282 CO 0.49 0.54 0.00 1.55 -0.23 0.00 0.00 178.00 180.35 1su4 n VAL 283 N -4.11 1.11 0.10 1.56 3.14 -1.26 -0.07 118.33 118.81 1su4 n VAL 283 Ca -0.01 0.28 0.02 0.00 -2.96 0.00 0.00 64.34 61.67 1su4 n VAL 283 Cb 0.41 -1.20 0.03 0.00 -1.06 0.00 0.00 33.84 32.02 1su4 n VAL 283 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1su4 n HIS 284 N -1.33 0.05 -0.85 1.45 8.25 -0.91 -4.97 115.22 116.91 1su4 n HIS 284 Ca 0.02 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1su4 n HIS 284 Cb 0.04 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1su4 n HIS 284 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su4 n GLY 285 N 0.13 0.63 2.19 -1.41 0.00 0.90 -3.78 105.19 103.84 1su4 n GLY 285 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1su4 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su4 n GLY 286 N -2.72 0.04 3.60 -0.02 0.00 -0.70 -4.98 105.19 100.41 1su4 n GLY 286 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1su4 n GLY 286 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1su4 s SER 287 N -2.58 6.07 0.00 1.61 0.01 -1.25 -4.91 113.70 112.65 1su4 s SER 287 Ca 0.00 0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.42 1su4 s SER 287 Cb 0.00 -2.13 0.68 0.00 0.21 0.00 0.00 66.02 64.78 1su4 s SER 287 CO 0.00 -0.05 1.12 -2.67 0.41 0.00 0.00 173.24 172.06 1su4 n TRP 288 N 4.96 0.00 -0.02 2.43 2.14 -1.25 -1.89 117.44 123.81 1su4 n TRP 288 Ca -0.13 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.38 1su4 n TRP 288 Cb 0.52 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 31.00 1su4 n TRP 288 CO 0.00 0.00 0.00 -0.89 2.07 0.00 0.00 177.69 178.87 1su4 n ILE 289 N -1.00 0.62 0.30 -1.67 2.08 -1.26 -4.29 119.36 114.13 1su4 n ILE 289 Ca 0.09 0.04 0.19 0.00 0.56 0.00 0.00 62.75 63.62 1su4 n ILE 289 Cb 0.04 -1.64 1.01 0.00 -0.75 0.00 0.00 39.64 38.30 1su4 n ILE 289 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1su4 h ARG 290 N -0.22 0.00 0.16 0.38 3.08 -1.86 0.41 114.38 116.33 1su4 h ARG 290 Ca -0.11 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.62 1su4 h ARG 290 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.94 1su4 h ARG 290 CO -0.07 0.00 -1.48 0.78 -1.07 0.00 0.00 179.97 178.13 1su4 h GLY 291 N 0.00 0.39 1.65 0.04 0.00 -1.49 -2.33 103.07 101.33 1su4 h GLY 291 Ca 0.02 -1.01 -0.16 0.00 0.00 0.00 0.00 47.33 46.18 1su4 h GLY 291 CO -0.00 0.88 -0.64 0.00 0.00 0.00 0.00 176.54 176.79 1su4 h ALA 292 N 0.38 0.73 -0.37 3.60 0.00 -1.20 -2.91 119.26 119.50 1su4 h ALA 292 Ca -0.23 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 1su4 h ALA 292 Cb 2.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1su4 h ALA 292 CO 0.20 0.73 -0.07 0.82 0.00 0.00 0.00 179.25 180.94 1su4 h ILE 293 N 0.26 1.27 -0.98 0.00 2.04 -0.33 -1.46 117.51 118.30 1su4 h ILE 293 Ca -0.01 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.74 1su4 h ILE 293 Cb 1.17 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1su4 h ILE 293 CO 0.11 0.37 0.65 0.22 0.00 0.00 0.00 178.15 179.50 1su4 h TYR 294 N 0.50 1.23 0.06 1.37 3.20 -1.33 -2.13 116.97 119.87 1su4 h TYR 294 Ca 0.10 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.75 1su4 h TYR 294 Cb 0.57 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1su4 h TYR 294 CO 0.05 0.77 -1.06 1.88 -1.64 0.00 0.00 178.16 178.15 1su4 h TYR 295 N 1.32 0.57 -0.80 -3.82 -1.99 -1.46 -3.05 116.97 107.74 1su4 h TYR 295 Ca 0.36 -0.35 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1su4 h TYR 295 Cb -0.13 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.50 1su4 h TYR 295 CO -0.00 1.21 0.52 0.35 -0.00 0.00 0.00 178.16 180.24 1su4 h PHE 296 N 0.17 0.88 0.00 4.88 3.57 -1.00 0.31 116.94 125.74 1su4 h PHE 296 Ca -0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1su4 h PHE 296 Cb 1.73 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1su4 h PHE 296 CO 0.06 0.46 -0.21 0.87 -2.23 0.00 0.00 178.31 177.26 1su4 h LYS 297 N 0.86 0.00 0.14 1.11 1.57 -1.30 -2.03 116.57 116.93 1su4 h LYS 297 Ca 0.35 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.88 1su4 h LYS 297 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1su4 h LYS 297 CO -0.12 0.21 -1.19 0.82 -0.57 0.00 0.00 179.45 178.60 1su4 h ILE 298 N 0.00 1.24 -0.38 1.86 2.04 -0.42 -2.47 117.51 119.39 1su4 h ILE 298 Ca -0.00 -2.48 -0.00 0.00 1.00 0.00 0.00 64.86 63.38 1su4 h ILE 298 Cb 0.54 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1su4 h ILE 298 CO 0.03 0.72 0.22 0.00 0.00 0.00 0.00 178.15 179.12 1su4 h ALA 299 N 0.02 1.68 0.00 1.87 0.00 -0.73 0.43 119.26 122.53 1su4 h ALA 299 Ca -0.24 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1su4 h ALA 299 Cb 1.75 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1su4 h ALA 299 CO 0.11 0.28 -1.27 0.28 0.00 0.00 0.00 179.25 178.65 1su4 h VAL 300 N 0.51 1.22 -0.02 0.00 2.07 -1.48 -2.90 116.25 115.65 1su4 h VAL 300 Ca 0.14 -2.95 -0.21 0.00 0.82 0.00 0.00 66.70 64.50 1su4 h VAL 300 Cb -0.01 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1su4 h VAL 300 CO -0.03 0.70 -0.87 0.00 0.02 0.00 0.00 177.57 177.39 1su4 h ALA 301 N 1.07 0.46 -0.47 1.67 0.00 -0.88 -2.60 119.26 118.51 1su4 h ALA 301 Ca -0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 1su4 h ALA 301 Cb 1.82 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1su4 h ALA 301 CO 0.10 0.82 -0.18 1.25 0.00 0.00 0.00 179.25 181.24 1su4 h LEU 302 N 0.21 0.93 -0.17 0.00 5.85 -0.26 -2.00 115.31 119.88 1su4 h LEU 302 Ca -0.06 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1su4 h LEU 302 Cb 1.49 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1su4 h LEU 302 CO 0.15 1.09 -0.05 0.00 -0.34 0.00 0.00 178.44 179.29 1su4 h ALA 303 N 0.98 0.10 -0.68 1.25 0.00 -1.42 0.47 119.26 119.96 1su4 h ALA 303 Ca 0.11 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1su4 h ALA 303 Cb 0.73 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1su4 h ALA 303 CO 0.06 -0.49 0.40 0.28 0.00 0.00 0.00 179.25 179.51 1su4 h VAL 304 N -0.01 1.03 -0.28 0.00 2.07 -1.24 0.66 116.25 118.48 1su4 h VAL 304 Ca 0.08 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1su4 h VAL 304 Cb 0.14 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1su4 h VAL 304 CO -0.18 0.14 0.08 0.00 0.02 0.00 0.00 177.57 177.63 1su4 h ALA 305 N 1.32 0.37 0.14 1.67 0.00 -0.69 -3.29 119.26 118.78 1su4 h ALA 305 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1su4 h ALA 305 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1su4 h ALA 305 CO -0.14 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 1su4 h ALA 306 N 0.91 -0.84 -1.03 0.00 0.00 0.77 -3.43 119.26 115.64 1su4 h ALA 306 Ca 0.09 -0.06 -0.84 0.00 0.00 0.00 0.00 54.91 54.11 1su4 h ALA 306 Cb 0.26 0.43 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1su4 h ALA 306 CO -0.00 -0.86 0.46 -0.89 0.00 0.00 0.00 179.25 177.96 1su4 n ILE 307 N -3.29 0.01 -2.88 0.00 5.41 0.15 -4.87 119.36 113.88 1su4 n ILE 307 Ca -0.04 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.28 1su4 n ILE 307 Cb 0.14 -0.35 -0.04 0.00 -0.71 0.00 0.00 39.64 38.68 1su4 n ILE 307 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1su4 s PRO 308 N 1.87 3.22 0.56 0.38 0.04 -1.26 -4.94 135.00 134.87 1su4 s PRO 308 Ca 0.99 -0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.44 1su4 s PRO 308 Cb -1.39 -4.13 0.03 0.00 0.04 0.00 0.00 34.50 29.05 1su4 s PRO 308 CO 0.72 -1.59 0.82 -1.83 0.04 0.00 0.00 177.00 175.15 1su4 s GLU 309 N 3.85 2.67 0.00 4.56 1.03 -1.26 -4.49 118.70 125.06 1su4 s GLU 309 Ca 0.25 -0.46 0.00 0.00 0.03 0.00 0.00 54.97 54.79 1su4 s GLU 309 Cb -0.15 -2.40 0.00 0.00 -0.80 0.00 0.00 34.13 30.78 1su4 s GLU 309 CO 0.15 -0.71 0.00 0.41 -1.33 0.00 0.00 175.26 173.78 1su4 n GLY 310 N -2.44 0.52 0.42 -3.83 0.00 -1.26 -4.98 105.19 93.62 1su4 n GLY 310 Ca 0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1su4 n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1su4 h LEU 311 N 0.00 -0.88 -0.62 0.99 5.85 -1.99 0.21 115.31 118.86 1su4 h LEU 311 Ca 0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1su4 h LEU 311 Cb 0.00 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1su4 h LEU 311 CO 0.00 -0.59 0.13 -0.65 -0.34 0.00 0.00 178.44 176.98 1su4 h PRO 312 N -1.11 0.25 0.10 5.25 0.11 -1.96 0.14 132.00 134.79 1su4 h PRO 312 Ca -0.11 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1su4 h PRO 312 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1su4 h PRO 312 CO 0.18 0.16 -0.05 0.00 -0.21 0.00 0.00 178.00 178.08 1su4 h ALA 313 N 1.50 -0.13 -0.51 -0.75 0.00 -1.91 -0.10 119.26 117.35 1su4 h ALA 313 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1su4 h ALA 313 Cb 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1su4 h ALA 313 CO -0.42 -0.53 0.31 0.28 0.00 0.00 0.00 179.25 178.89 1su4 h VAL 314 N -0.22 1.16 -0.07 0.00 2.07 -0.24 -0.23 116.25 118.72 1su4 h VAL 314 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1su4 h VAL 314 Cb 0.18 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1su4 h VAL 314 CO 0.02 0.16 0.04 0.40 0.02 0.00 0.00 177.57 178.21 1su4 h ILE 315 N 0.68 1.10 -0.56 4.57 2.04 -0.67 -0.57 117.51 124.10 1su4 h ILE 315 Ca 0.18 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1su4 h ILE 315 Cb -0.01 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1su4 h ILE 315 CO -0.03 0.08 0.35 0.74 0.00 0.00 0.00 178.15 179.29 1su4 h THR 316 N 0.01 1.15 -0.16 -0.27 2.02 -0.82 -0.49 112.91 114.34 1su4 h THR 316 Ca 0.03 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1su4 h THR 316 Cb 0.10 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1su4 h THR 316 CO -0.00 0.15 -0.15 0.74 0.37 0.00 0.00 175.52 176.63 1su4 h THR 317 N 0.76 1.34 -0.23 3.16 2.02 -0.68 -0.62 112.91 118.66 1su4 h THR 317 Ca 0.20 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1su4 h THR 317 Cb -0.06 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1su4 h THR 317 CO -0.04 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.38 1su4 h LEU 319 N 0.29 0.35 -0.30 0.00 5.85 -1.09 0.23 115.31 120.64 1su4 h LEU 319 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1su4 h LEU 319 Cb -0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1su4 h LEU 319 CO -0.02 0.25 0.03 0.00 -0.34 0.00 0.00 178.44 178.37 1su4 h ALA 320 N 1.18 0.40 -0.31 1.25 0.00 -0.86 -0.86 119.26 120.06 1su4 h ALA 320 Ca 0.16 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1su4 h ALA 320 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1su4 h ALA 320 CO -0.09 0.11 -0.39 -0.07 0.00 0.00 0.00 179.25 178.81 1su4 h LEU 321 N 0.32 0.79 -0.53 0.00 3.38 -1.12 -2.55 115.31 115.60 1su4 h LEU 321 Ca 0.09 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1su4 h LEU 321 Cb 0.37 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1su4 h LEU 321 CO 0.01 1.09 0.34 1.23 0.09 0.00 0.00 178.44 181.20 1su4 h GLY 322 N 0.93 0.75 2.00 0.83 0.00 -0.39 -1.43 103.07 105.76 1su4 h GLY 322 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1su4 h GLY 322 CO 0.09 0.28 -0.16 -0.84 0.00 0.00 0.00 176.54 175.91 1su4 h THR 323 N 0.71 0.60 -0.00 4.70 2.02 -1.03 -2.31 112.91 117.60 1su4 h THR 323 Ca 0.19 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1su4 h THR 323 Cb -0.06 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1su4 h THR 323 CO -0.04 0.16 -0.00 -0.09 0.37 0.00 0.00 175.52 175.91 1su4 h ARG 324 N 0.00 0.01 -0.68 6.66 2.43 -0.85 -1.98 114.38 119.95 1su4 h ARG 324 Ca -0.00 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1su4 h ARG 324 Cb 0.45 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1su4 h ARG 324 CO 0.02 0.40 0.45 0.00 -1.51 0.00 0.00 179.97 179.34 1su4 h ARG 325 N -0.39 0.57 0.10 0.20 3.08 -1.03 0.27 114.38 117.18 1su4 h ARG 325 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1su4 h ARG 325 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1su4 h ARG 325 CO 0.00 0.37 -0.05 0.52 -1.07 0.00 0.00 179.97 179.75 1su4 h MET 326 N 0.58 -0.13 -0.17 0.04 2.86 -1.19 -2.30 114.93 114.63 1su4 h MET 326 Ca 0.31 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1su4 h MET 326 Cb 0.45 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1su4 h MET 326 CO -0.10 0.03 -0.10 0.00 1.06 0.00 0.00 176.91 177.80 1su4 h ALA 327 N 0.62 1.52 -0.00 6.32 0.00 -0.52 0.45 119.26 127.65 1su4 h ALA 327 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1su4 h ALA 327 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1su4 h ALA 327 CO 0.02 0.34 0.00 -0.22 0.00 0.00 0.00 179.25 179.40 1su4 h LYS 328 N 0.25 0.00 -0.50 0.00 1.63 -0.17 -0.41 116.57 117.37 1su4 h LYS 328 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1su4 h LYS 328 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1su4 h LYS 328 CO 0.02 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.65 1su4 n LYS 329 N -4.48 3.98 -1.03 1.90 5.02 -0.15 -4.96 118.16 118.44 1su4 n LYS 329 Ca -0.03 -2.95 -0.01 0.00 -2.02 0.00 0.00 58.31 53.30 1su4 n LYS 329 Cb 0.09 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1su4 n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1su4 n ASN 330 N 0.44 -3.34 -4.39 4.39 3.02 -0.16 -4.87 115.26 110.35 1su4 n ASN 330 Ca 0.25 0.03 -0.44 0.00 -0.03 0.00 0.00 54.58 54.38 1su4 n ASN 330 Cb 1.00 -0.93 -0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1su4 n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1su4 s ALA 331 N -1.97 3.53 -0.47 5.41 0.00 -0.03 -0.96 121.76 127.27 1su4 s ALA 331 Ca 0.00 -2.05 -0.16 0.00 0.00 0.00 0.00 51.96 49.75 1su4 s ALA 331 Cb 0.00 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1su4 s ALA 331 CO 0.00 -1.68 0.44 0.42 0.00 0.00 0.00 175.76 174.94 1su4 s ILE 332 N 1.64 5.15 -0.63 0.00 -1.09 -0.43 -2.15 121.20 123.70 1su4 s ILE 332 Ca 0.04 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.50 1su4 s ILE 332 Cb -0.23 -4.15 0.16 0.00 -1.58 0.00 0.00 42.46 36.66 1su4 s ILE 332 CO 0.07 -0.61 0.49 -0.69 -1.23 0.00 0.00 174.94 172.97 1su4 s VAL 333 N 1.88 4.33 0.09 2.92 1.01 -1.26 -1.70 120.40 127.66 1su4 s VAL 333 Ca 0.07 -2.47 -0.30 0.00 0.00 0.00 0.00 61.98 59.28 1su4 s VAL 333 Cb -0.23 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.23 1su4 s VAL 333 CO 0.08 -0.88 1.63 0.08 0.00 0.00 0.00 175.10 176.01 1su4 h ARG 334 N 7.67 -0.66 -6.31 2.72 0.11 -1.94 -3.40 114.38 112.55 1su4 h ARG 334 Ca -0.04 0.04 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1su4 h ARG 334 Cb 1.01 0.15 -0.09 0.00 1.11 0.00 0.00 29.97 32.15 1su4 h ARG 334 CO 0.77 -0.44 0.77 -1.12 0.10 0.00 0.00 179.97 180.05 1su4 s SER 335 N -4.62 6.46 0.47 0.08 0.01 -1.26 -4.93 113.70 109.91 1su4 s SER 335 Ca -0.17 0.04 0.21 0.00 1.31 0.00 0.00 55.95 57.35 1su4 s SER 335 Cb 0.06 -2.50 1.23 0.00 0.21 0.00 0.00 66.02 65.01 1su4 s SER 335 CO 0.63 -1.29 1.93 -0.07 0.41 0.00 0.00 173.24 174.85 1su4 h LEU 336 N 11.27 0.22 0.00 2.44 3.38 -1.98 0.26 115.31 130.90 1su4 h LEU 336 Ca -0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1su4 h LEU 336 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1su4 h LEU 336 CO 1.12 0.10 0.00 -2.65 0.09 0.00 0.00 178.44 177.10 1su4 n PRO 337 N -4.42 0.21 -0.02 1.13 -0.02 -1.26 -2.25 135.00 128.37 1su4 n PRO 337 Ca 0.14 0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.67 1su4 n PRO 337 Cb 0.65 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.50 1su4 n PRO 337 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1su4 n SER 338 N -1.16 0.74 0.25 2.55 7.64 0.92 -4.17 113.62 120.39 1su4 n SER 338 Ca 0.06 0.34 0.08 0.00 1.01 0.00 0.00 58.87 60.36 1su4 n SER 338 Cb 0.06 0.17 0.62 0.00 -1.01 0.00 0.00 64.21 64.05 1su4 n SER 338 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1su4 h VAL 339 N 0.00 0.95 0.13 0.44 -1.51 -1.57 0.30 116.25 114.99 1su4 h VAL 339 Ca -0.28 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1su4 h VAL 339 Cb 1.92 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1su4 h VAL 339 CO 0.06 0.09 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.30 1su4 h GLU 340 N 0.00 -0.27 -0.30 5.19 4.81 -1.73 0.61 114.58 122.90 1su4 h GLU 340 Ca -0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1su4 h GLU 340 Cb 0.18 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1su4 h GLU 340 CO 0.01 -0.18 0.08 1.15 -0.73 0.00 0.00 179.01 179.35 1su4 h THR 341 N -0.28 1.21 -0.59 0.32 2.02 -1.40 -2.89 112.91 111.31 1su4 h THR 341 Ca 0.00 -0.69 0.12 0.00 0.77 0.00 0.00 66.41 66.61 1su4 h THR 341 Cb 0.26 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.68 1su4 h THR 341 CO -0.02 0.23 0.05 0.25 0.37 0.00 0.00 175.52 176.39 1su4 h LEU 342 N 0.32 -0.15 -2.83 2.58 6.46 -0.19 0.71 115.31 122.20 1su4 h LEU 342 Ca 0.09 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1su4 h LEU 342 Cb 0.27 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1su4 h LEU 342 CO -0.00 -0.06 0.00 1.23 -0.62 0.00 0.00 178.44 178.99 1su4 h GLY 343 N 0.17 0.00 -2.27 3.75 0.00 -0.66 -1.88 103.07 102.18 1su4 h GLY 343 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1su4 h GLY 343 CO -0.46 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.08 1su4 n THR 345 N 1.45 0.51 -0.01 0.00 -1.04 -0.71 -4.60 114.28 109.88 1su4 n THR 345 Ca 0.20 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1su4 n THR 345 Cb 0.60 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1su4 n THR 345 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1su4 n SER 346 N 2.35 0.04 -3.70 8.00 3.41 -0.46 -4.77 113.62 118.49 1su4 n SER 346 Ca 0.16 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 1su4 n SER 346 Cb 0.24 0.73 -0.12 0.00 -0.26 0.00 0.00 64.21 64.80 1su4 n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1su4 s VAL 347 N -0.73 -0.18 -0.21 -3.33 1.01 -1.07 -0.66 120.40 115.23 1su4 s VAL 347 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1su4 s VAL 347 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1su4 s VAL 347 CO 0.00 0.07 -0.09 -0.63 0.00 0.00 0.00 175.10 174.45 1su4 s ILE 348 N 1.69 2.93 -0.26 2.22 1.01 0.46 -0.41 121.20 128.83 1su4 s ILE 348 Ca -0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 1su4 s ILE 348 Cb -0.10 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1su4 s ILE 348 CO -0.10 0.45 0.10 0.00 0.00 0.00 0.00 174.94 175.39 1su4 s SER 350 N 1.64 1.95 0.61 0.00 0.15 0.18 -2.52 113.70 115.71 1su4 s SER 350 Ca 0.07 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.25 1su4 s SER 350 Cb -0.15 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1su4 s SER 350 CO 0.06 0.19 1.11 -1.81 1.20 0.00 0.00 173.24 173.98 1su4 s ASP 351 N -0.27 5.39 -0.04 5.45 1.01 -1.26 -0.39 116.67 126.56 1su4 s ASP 351 Ca 0.04 2.03 -0.01 0.00 0.71 0.00 0.00 52.55 55.32 1su4 s ASP 351 Cb -0.07 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1su4 s ASP 351 CO -0.00 -1.44 -0.02 0.50 0.21 0.00 0.00 175.17 174.42 1su4 h LYS 352 N 0.45 0.00 -5.70 8.23 3.64 -1.80 -3.33 116.57 118.06 1su4 h LYS 352 Ca -0.48 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.31 1su4 h LYS 352 Cb 1.25 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1su4 h LYS 352 CO 0.55 0.00 1.54 2.41 -2.27 0.00 0.00 179.45 181.68 1su4 n THR 353 N -3.01 0.08 -0.04 1.00 -1.04 -1.26 -1.33 114.28 108.68 1su4 n THR 353 Ca -0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1su4 n THR 353 Cb 0.03 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1su4 n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su4 n GLY 354 N 6.46 0.88 0.96 3.41 0.00 0.32 -4.87 105.19 112.35 1su4 n GLY 354 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 1su4 n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1su4 n THR 355 N -2.00 0.66 0.00 2.61 -1.04 -0.59 -4.50 114.28 109.43 1su4 n THR 355 Ca 0.00 0.18 -0.15 0.00 -2.04 0.00 0.00 64.05 62.04 1su4 n THR 355 Cb 0.00 -1.58 -0.14 0.00 -1.82 0.00 0.00 70.33 66.79 1su4 n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1su4 h LEU 356 N -0.07 0.22 -9.12 -4.42 3.38 -1.32 -0.92 115.31 103.06 1su4 h LEU 356 Ca -0.03 -0.46 -0.68 0.00 0.09 0.00 0.00 57.88 56.81 1su4 h LEU 356 Cb 0.57 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.07 1su4 h LEU 356 CO -0.02 1.41 -0.78 -0.89 0.09 0.00 0.00 178.44 178.25 1su4 s THR 357 N -2.59 3.01 0.09 0.22 2.01 -0.88 0.48 115.64 117.98 1su4 s THR 357 Ca -0.12 -1.34 0.17 0.00 0.31 0.00 0.00 61.69 60.71 1su4 s THR 357 Cb 0.07 -2.36 0.10 0.00 0.01 0.00 0.00 72.50 70.32 1su4 s THR 357 CO 0.81 0.17 1.65 0.71 -0.69 0.00 0.00 174.62 177.26 1su4 h THR 358 N 3.56 0.91 -0.31 -0.82 1.35 -1.27 0.92 112.91 117.25 1su4 h THR 358 Ca -0.49 -1.76 -0.13 0.00 -0.55 0.00 0.00 66.41 63.47 1su4 h THR 358 Cb 1.16 2.08 -0.05 0.00 -1.73 0.00 0.00 68.15 69.62 1su4 h THR 358 CO 0.48 0.42 -0.12 -3.20 -0.25 0.00 0.00 175.52 172.86 1su4 n ASN 359 N -3.45 -4.12 -3.99 5.36 4.05 -1.26 -4.48 115.26 107.36 1su4 n ASN 359 Ca 0.00 0.16 -0.31 0.00 0.45 0.00 0.00 54.58 54.88 1su4 n ASN 359 Cb 0.58 -2.19 -0.15 0.00 1.23 0.00 0.00 39.78 39.25 1su4 n ASN 359 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1su4 s GLN 360 N -2.23 1.59 0.21 1.20 -0.21 -1.26 -5.03 119.66 113.92 1su4 s GLN 360 Ca 0.00 -1.58 -0.31 0.00 0.02 0.00 0.00 55.36 53.49 1su4 s GLN 360 Cb 0.00 -2.94 -0.15 0.00 1.00 0.00 0.00 33.01 30.91 1su4 s GLN 360 CO 0.00 -0.83 1.04 -0.12 -2.12 0.00 0.00 175.29 173.26 1su4 n MET 361 N 4.40 1.08 -3.90 2.91 0.00 -1.26 -4.60 117.12 115.75 1su4 n MET 361 Ca -0.02 0.38 -0.12 0.00 -0.00 0.00 0.00 57.70 57.94 1su4 n MET 361 Cb 0.42 -1.78 -0.14 0.00 0.00 0.00 0.00 33.22 31.73 1su4 n MET 361 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1su4 s SER 362 N -0.30 0.06 -0.15 6.12 0.01 -0.03 -4.39 113.70 115.01 1su4 s SER 362 Ca 0.67 -0.08 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 1su4 s SER 362 Cb -0.82 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1su4 s SER 362 CO 0.55 -0.04 0.53 -0.69 0.41 0.00 0.00 173.24 174.00 1su4 s VAL 363 N -0.23 5.13 -0.00 3.43 1.01 -1.26 -0.02 120.40 128.46 1su4 s VAL 363 Ca -0.02 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1su4 s VAL 363 Cb -0.02 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1su4 s VAL 363 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1su4 s LYS 365 N -1.41 0.33 -0.05 0.00 1.02 -1.15 0.44 119.74 118.92 1su4 s LYS 365 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1su4 s LYS 365 Cb 0.00 0.12 0.08 0.00 -0.52 0.00 0.00 37.83 37.51 1su4 s LYS 365 CO 0.00 -0.06 0.70 0.00 -0.92 0.00 0.00 175.35 175.08 1su4 s MET 366 N -1.40 1.03 0.06 1.68 0.23 -0.49 -0.54 119.30 119.86 1su4 s MET 366 Ca -0.15 0.20 -0.05 0.00 -1.03 0.00 0.00 55.69 54.66 1su4 s MET 366 Cb -0.09 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 1su4 s MET 366 CO -0.01 -0.33 0.08 -0.59 -2.03 0.00 0.00 175.02 172.15 1su4 s PHE 367 N -1.35 0.29 0.16 3.16 -0.71 -0.64 -0.00 117.98 118.88 1su4 s PHE 367 Ca -0.09 -0.71 0.01 0.00 -1.04 0.00 0.00 56.93 55.09 1su4 s PHE 367 Cb -0.00 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1su4 s PHE 367 CO 0.08 -0.43 0.03 0.96 -1.34 0.00 0.00 175.22 174.52 1su4 s ILE 368 N -3.42 0.42 0.29 -4.49 -4.36 -0.76 -1.92 121.20 106.96 1su4 s ILE 368 Ca 0.02 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 1su4 s ILE 368 Cb 0.04 -2.13 -0.10 0.00 1.25 0.00 0.00 42.46 41.52 1su4 s ILE 368 CO -0.08 -0.43 1.15 -0.63 0.24 0.00 0.00 174.94 175.18 1su4 s ILE 369 N -3.83 3.33 -0.08 8.37 1.09 -1.26 -0.90 121.20 127.91 1su4 s ILE 369 Ca 0.25 1.33 -0.07 0.00 -1.10 0.00 0.00 60.65 61.06 1su4 s ILE 369 Cb 0.07 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1su4 s ILE 369 CO 0.04 0.31 -0.13 -0.67 -0.10 0.00 0.00 174.94 174.39 1su4 n ASP 370 N 1.17 0.95 -4.06 3.58 4.64 0.53 -4.56 116.55 118.80 1su4 n ASP 370 Ca -0.01 0.31 -0.10 0.00 -1.38 0.00 0.00 54.79 53.61 1su4 n ASP 370 Cb 0.44 -0.66 -0.11 0.00 -1.04 0.00 0.00 41.12 39.76 1su4 n ASP 370 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1su4 s LYS 371 N -1.80 0.52 -0.07 -0.67 1.02 -1.12 -4.78 119.74 112.85 1su4 s LYS 371 Ca -0.11 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1su4 s LYS 371 Cb 0.02 -0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1su4 s LYS 371 CO 0.16 -0.03 -0.10 0.08 -0.92 0.00 0.00 175.35 174.55 1su4 s VAL 372 N -2.34 0.97 -0.21 3.17 1.01 -1.26 -1.25 120.40 120.48 1su4 s VAL 372 Ca -0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1su4 s VAL 372 Cb -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.49 1su4 s VAL 372 CO -0.03 0.32 0.52 -0.62 0.00 0.00 0.00 175.10 175.29 1su4 s ASP 373 N 0.88 -0.68 -1.65 3.32 2.15 0.42 -4.92 116.67 116.21 1su4 s ASP 373 Ca -0.11 1.13 -0.01 0.00 0.43 0.00 0.00 52.55 53.99 1su4 s ASP 373 Cb -0.15 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 1su4 s ASP 373 CO 0.01 -0.21 0.13 0.61 -0.17 0.00 0.00 175.17 175.54 1su4 n GLY 374 N 4.20 -0.45 2.28 2.66 0.00 -1.26 -1.81 105.19 110.81 1su4 n GLY 374 Ca -0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1su4 n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su4 n ASP 375 N -1.90 -3.87 -4.43 1.61 8.00 -1.26 -5.02 116.55 109.69 1su4 n ASP 375 Ca -0.21 0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 1su4 n ASP 375 Cb 0.66 -1.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.22 1su4 n ASP 375 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1su4 s PHE 376 N -1.77 2.27 0.02 1.24 0.40 -0.75 -3.33 117.98 116.05 1su4 s PHE 376 Ca 0.00 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1su4 s PHE 376 Cb 0.00 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1su4 s PHE 376 CO 0.00 0.54 -0.02 0.00 0.70 0.00 0.00 175.22 176.44 1su4 s SER 378 N -1.54 5.35 0.10 0.00 1.04 -0.38 -4.97 113.70 113.30 1su4 s SER 378 Ca -0.15 -0.18 0.09 0.00 0.48 0.00 0.00 55.95 56.19 1su4 s SER 378 Cb -0.09 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.65 1su4 s SER 378 CO -0.01 0.08 -0.19 -0.76 0.98 0.00 0.00 173.24 173.34 1su4 s LEU 379 N -3.02 2.64 -0.43 2.42 1.43 -1.26 -0.34 118.68 120.12 1su4 s LEU 379 Ca 0.30 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1su4 s LEU 379 Cb -0.10 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1su4 s LEU 379 CO 0.22 0.20 0.33 0.20 0.23 0.00 0.00 176.35 177.52 1su4 s ASN 380 N -1.97 6.09 -0.15 2.29 0.01 -0.08 -4.71 114.94 116.42 1su4 s ASN 380 Ca 0.17 -1.07 -0.07 0.00 -0.71 0.00 0.00 52.86 51.18 1su4 s ASN 380 Cb -0.10 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1su4 s ASN 380 CO 0.09 -0.52 0.12 -1.61 -1.51 0.00 0.00 177.10 173.67 1su4 s GLU 381 N 1.65 3.67 0.12 -0.60 2.02 -1.26 -1.83 118.70 122.47 1su4 s GLU 381 Ca 0.04 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 54.89 1su4 s GLU 381 Cb -0.21 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1su4 s GLU 381 CO 0.08 0.59 -0.13 -0.06 0.02 0.00 0.00 175.26 175.76 1su4 s PHE 382 N -0.49 1.34 0.08 1.61 0.40 0.99 -4.55 117.98 117.36 1su4 s PHE 382 Ca 0.12 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1su4 s PHE 382 Cb -0.12 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.68 1su4 s PHE 382 CO 0.02 0.12 -0.23 -1.54 0.70 0.00 0.00 175.22 174.29 1su4 s SER 383 N -2.49 2.80 -0.06 1.36 1.04 -0.34 -1.40 113.70 114.61 1su4 s SER 383 Ca 0.09 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1su4 s SER 383 Cb -0.04 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 1su4 s SER 383 CO 0.02 0.15 -0.21 -0.63 0.98 0.00 0.00 173.24 173.55 1su4 s ILE 384 N -0.97 1.77 0.69 -1.02 1.09 0.17 -0.85 121.20 122.08 1su4 s ILE 384 Ca 0.09 -0.89 -0.00 0.00 -1.10 0.00 0.00 60.65 58.74 1su4 s ILE 384 Cb -0.10 -1.51 0.11 0.00 -1.06 0.00 0.00 42.46 39.90 1su4 s ILE 384 CO 0.04 0.50 0.96 0.42 -0.10 0.00 0.00 174.94 176.75 1su4 s THR 385 N 0.03 2.22 0.00 2.92 -4.23 -0.23 -4.53 115.64 111.81 1su4 s THR 385 Ca -0.06 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1su4 s THR 385 Cb -0.14 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1su4 s THR 385 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1su4 n GLY 386 N -2.76 1.32 0.05 3.99 0.00 -1.26 -4.09 105.19 102.45 1su4 n GLY 386 Ca 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.67 1su4 n GLY 386 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1su4 n SER 387 N -0.14 1.20 -4.52 1.61 7.64 -1.26 -4.94 113.62 113.21 1su4 n SER 387 Ca 0.00 -1.79 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 1su4 n SER 387 Cb 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1su4 n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1su4 s THR 388 N -0.79 1.14 -0.09 0.44 -4.23 -1.26 -4.66 115.64 106.19 1su4 s THR 388 Ca 0.04 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1su4 s THR 388 Cb 0.03 -2.43 0.34 0.00 1.34 0.00 0.00 72.50 71.79 1su4 s THR 388 CO 0.00 0.00 1.90 1.88 -0.54 0.00 0.00 174.62 177.86 1su4 h TYR 389 N 1.63 0.00 -2.43 3.99 0.05 -1.85 -3.45 116.97 114.92 1su4 h TYR 389 Ca -0.41 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.77 1su4 h TYR 389 Cb 1.28 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.10 1su4 h TYR 389 CO 1.28 0.00 0.58 0.00 -1.05 0.00 0.00 178.16 178.97 1su4 n ALA 390 N -1.97 0.73 -0.07 3.88 0.00 -1.26 -4.71 120.51 117.11 1su4 n ALA 390 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1su4 n ALA 390 Cb 0.26 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1su4 n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1su4 n PRO 391 N 2.27 0.44 -4.52 0.00 -0.04 -1.26 -4.78 135.00 127.10 1su4 n PRO 391 Ca 0.13 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 1su4 n PRO 391 Cb 0.29 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1su4 n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1su4 s GLU 392 N 0.99 3.09 0.00 0.54 2.02 -1.26 -4.57 118.70 119.51 1su4 s GLU 392 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1su4 s GLU 392 Cb 0.00 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1su4 s GLU 392 CO 0.00 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1su4 n GLY 393 N 2.65 1.34 3.22 -1.39 0.00 -1.26 -4.33 105.19 105.42 1su4 n GLY 393 Ca -0.18 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 1su4 n GLY 393 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1su4 s GLU 394 N -1.15 0.95 -0.06 1.61 -1.05 -1.26 -4.91 118.70 112.83 1su4 s GLU 394 Ca 0.00 -1.24 -0.10 0.00 -0.15 0.00 0.00 54.97 53.48 1su4 s GLU 394 Cb 0.00 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1su4 s GLU 394 CO 0.00 -0.30 0.27 0.08 0.95 0.00 0.00 175.26 176.26 1su4 s VAL 395 N -3.97 5.29 0.03 1.83 1.01 -1.26 -1.07 120.40 122.25 1su4 s VAL 395 Ca 0.16 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1su4 s VAL 395 Cb 0.06 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1su4 s VAL 395 CO -0.03 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.83 1su4 s LEU 396 N -1.14 2.18 -0.15 3.92 1.43 -0.03 -2.64 118.68 122.25 1su4 s LEU 396 Ca 0.20 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1su4 s LEU 396 Cb -0.14 -0.13 0.04 0.00 0.03 0.00 0.00 46.19 45.98 1su4 s LEU 396 CO 0.09 -0.15 -0.07 -0.75 0.23 0.00 0.00 176.35 175.70 1su4 s LYS 397 N -1.14 1.57 -1.29 1.70 2.20 -0.47 -1.20 119.74 121.11 1su4 s LYS 397 Ca -0.08 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 1su4 s LYS 397 Cb -0.08 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1su4 s LYS 397 CO 0.00 -0.37 0.64 0.09 -0.36 0.00 0.00 175.35 175.35 1su4 n ASN 398 N 4.87 -5.54 0.00 1.43 3.02 -1.26 -2.64 115.26 115.14 1su4 n ASN 398 Ca -0.13 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1su4 n ASN 398 Cb 0.48 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 1su4 n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1su4 n ASP 399 N -1.99 -3.35 -4.48 6.41 8.00 -1.26 -4.99 116.55 114.89 1su4 n ASP 399 Ca -0.07 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.09 1su4 n ASP 399 Cb 0.59 -2.00 -0.13 0.00 -0.02 0.00 0.00 41.12 39.56 1su4 n ASP 399 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1su4 s LYS 400 N -0.99 2.98 0.60 -1.24 1.02 -1.08 -5.03 119.74 116.01 1su4 s LYS 400 Ca 0.00 -0.62 -0.19 0.00 0.02 0.00 0.00 55.97 55.18 1su4 s LYS 400 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1su4 s LYS 400 CO 0.00 0.47 1.29 -1.25 -0.92 0.00 0.00 175.35 174.94 1su4 s PRO 401 N -0.31 2.82 0.12 -1.68 0.04 -1.26 -1.37 135.00 133.37 1su4 s PRO 401 Ca 0.03 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 1su4 s PRO 401 Cb -0.13 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1su4 s PRO 401 CO 0.03 -1.38 0.19 0.96 0.04 0.00 0.00 177.00 176.84 1su4 s ILE 402 N -1.42 0.11 -0.12 0.56 -5.25 -1.08 -4.83 121.20 109.18 1su4 s ILE 402 Ca 0.78 -1.40 -0.10 0.00 -0.99 0.00 0.00 60.65 58.94 1su4 s ILE 402 Cb -0.36 -1.64 -0.05 0.00 2.95 0.00 0.00 42.46 43.36 1su4 s ILE 402 CO 0.40 -0.51 0.22 -0.13 -1.79 0.00 0.00 174.94 173.13 1su4 s ARG 403 N -3.93 3.83 0.43 0.37 0.52 -1.26 -4.64 118.95 114.26 1su4 s ARG 403 Ca 0.12 0.01 0.22 0.00 -0.52 0.00 0.00 55.73 55.57 1su4 s ARG 403 Cb 0.05 -3.28 0.93 0.00 0.52 0.00 0.00 34.95 33.16 1su4 s ARG 403 CO -0.05 0.57 1.84 0.77 0.02 0.00 0.00 175.30 178.45 1su4 h SER 404 N 5.56 0.00 0.14 0.23 0.02 -1.89 -2.50 113.55 115.11 1su4 h SER 404 Ca -0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1su4 h SER 404 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1su4 h SER 404 CO 0.65 0.26 -0.03 1.23 -1.14 0.00 0.00 176.83 177.81 1su4 h GLY 405 N 1.78 0.00 2.00 -3.77 0.00 -1.85 -1.81 103.07 99.42 1su4 h GLY 405 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1su4 h GLY 405 CO 0.03 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.03 1su4 h GLN 406 N 0.00 0.00 -4.67 4.80 4.20 -1.78 -3.38 115.11 114.28 1su4 h GLN 406 Ca -0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 1su4 h GLN 406 Cb 0.10 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.50 1su4 h GLN 406 CO 0.00 0.00 -0.77 -0.06 -0.67 0.00 0.00 178.83 177.34 1su4 s PHE 407 N -3.60 3.24 0.48 2.96 0.08 -0.68 -4.97 117.98 115.49 1su4 s PHE 407 Ca -0.00 -2.46 0.25 0.00 0.12 0.00 0.00 56.93 54.84 1su4 s PHE 407 Cb 0.09 -2.22 1.29 0.00 -0.57 0.00 0.00 43.02 41.61 1su4 s PHE 407 CO 0.35 -0.89 1.87 -0.44 -0.10 0.00 0.00 175.22 176.01 1su4 h ASP 408 N 7.76 0.20 -0.84 1.36 3.45 -1.82 0.35 116.42 126.87 1su4 h ASP 408 Ca -0.13 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 1su4 h ASP 408 Cb 1.04 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.75 1su4 h ASP 408 CO 0.47 0.07 0.49 1.23 -1.57 0.00 0.00 179.24 179.94 1su4 h GLY 409 N 0.19 1.24 1.75 2.75 0.00 -1.93 -2.13 103.07 104.95 1su4 h GLY 409 Ca 0.45 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1su4 h GLY 409 CO -0.10 0.52 -0.27 1.41 0.00 0.00 0.00 176.54 178.10 1su4 h LEU 410 N 1.17 0.29 -0.89 3.11 3.38 -0.58 -0.25 115.31 121.53 1su4 h LEU 410 Ca 0.30 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1su4 h LEU 410 Cb -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1su4 h LEU 410 CO -0.05 0.57 0.41 0.58 0.09 0.00 0.00 178.44 180.03 1su4 h VAL 411 N 0.26 1.26 -0.06 1.22 2.07 -0.97 0.34 116.25 120.37 1su4 h VAL 411 Ca 0.04 -0.71 -0.23 0.00 0.82 0.00 0.00 66.70 66.62 1su4 h VAL 411 Cb 0.62 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1su4 h VAL 411 CO 0.04 0.31 -0.88 -0.08 0.02 0.00 0.00 177.57 176.99 1su4 h GLU 412 N 1.20 0.57 -0.52 1.57 4.81 -0.96 -2.11 114.58 119.15 1su4 h GLU 412 Ca 0.29 -0.54 0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1su4 h GLU 412 Cb 0.11 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1su4 h GLU 412 CO -0.04 1.17 0.12 1.25 -0.73 0.00 0.00 179.01 180.78 1su4 h LEU 413 N 0.36 0.05 -1.01 1.64 7.12 -0.52 -0.50 115.31 122.44 1su4 h LEU 413 Ca -0.07 0.09 -0.08 0.00 0.13 0.00 0.00 57.88 57.94 1su4 h LEU 413 Cb 1.50 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.73 1su4 h LEU 413 CO 0.16 0.05 -0.16 0.00 -0.13 0.00 0.00 178.44 178.36 1su4 h ALA 414 N 1.39 1.17 0.43 1.25 0.00 -0.91 -1.69 119.26 120.90 1su4 h ALA 414 Ca 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1su4 h ALA 414 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1su4 h ALA 414 CO -0.32 0.53 -0.21 1.15 0.00 0.00 0.00 179.25 180.40 1su4 h THR 415 N 0.48 0.57 -0.72 0.00 2.02 -0.56 -0.45 112.91 114.26 1su4 h THR 415 Ca 0.08 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1su4 h THR 415 Cb 0.56 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 1su4 h THR 415 CO 0.04 0.04 0.38 0.40 0.37 0.00 0.00 175.52 176.75 1su4 h ILE 416 N -0.70 0.90 0.00 3.11 2.04 -1.02 -1.36 117.51 120.48 1su4 h ILE 416 Ca -0.06 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1su4 h ILE 416 Cb 0.51 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1su4 h ILE 416 CO 0.10 0.12 -0.40 0.00 0.00 0.00 0.00 178.15 177.96 1su4 h ALA 418 N 1.60 0.43 0.02 0.00 0.00 -0.55 -3.40 119.26 117.35 1su4 h ALA 418 Ca -0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 54.91 53.67 1su4 h ALA 418 Cb 0.84 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1su4 h ALA 418 CO 0.05 1.14 -2.37 1.28 0.00 0.00 0.00 179.25 179.36 1su4 n LEU 419 N -3.31 2.66 -4.14 0.00 4.77 -0.56 -4.54 117.00 111.88 1su4 n LEU 419 Ca -0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 1su4 n LEU 419 Cb 0.90 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1su4 n LEU 419 CO 0.46 0.82 2.24 0.00 -1.33 0.00 0.00 177.39 179.58 1su4 s ASN 421 N 3.37 -0.70 -0.12 0.00 3.84 -1.26 -4.83 114.94 115.24 1su4 s ASN 421 Ca 0.49 1.02 0.18 0.00 0.21 0.00 0.00 52.86 54.76 1su4 s ASN 421 Cb 0.08 1.62 0.72 0.00 -0.55 0.00 0.00 41.25 43.12 1su4 s ASN 421 CO -0.01 -0.15 1.63 0.47 -2.79 0.00 0.00 177.10 176.26 1su4 n ASP 422 N 4.62 4.79 -4.81 -4.21 10.43 -1.26 -4.97 116.55 121.13 1su4 n ASP 422 Ca -0.13 -2.46 -0.27 0.00 2.57 0.00 0.00 54.79 54.49 1su4 n ASP 422 Cb 0.54 -0.58 -0.05 0.00 1.84 0.00 0.00 41.12 42.87 1su4 n ASP 422 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1su4 s SER 423 N -0.93 4.46 0.34 -2.24 0.01 -1.26 -4.87 113.70 109.21 1su4 s SER 423 Ca 0.51 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1su4 s SER 423 Cb 0.33 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.69 1su4 s SER 423 CO 0.24 -0.84 0.71 -0.94 0.41 0.00 0.00 173.24 172.83 1su4 s SER 424 N -4.05 -0.00 0.28 2.44 1.04 -0.75 -4.97 113.70 107.69 1su4 s SER 424 Ca 0.31 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.83 1su4 s SER 424 Cb 0.01 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1su4 s SER 424 CO 0.18 -1.51 0.11 -0.22 0.98 0.00 0.00 173.24 172.78 1su4 s LEU 425 N -3.03 3.42 -0.24 2.42 2.96 -1.26 -1.59 118.68 121.35 1su4 s LEU 425 Ca 0.16 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 1su4 s LEU 425 Cb -0.05 -1.94 0.07 0.00 0.50 0.00 0.00 46.19 44.77 1su4 s LEU 425 CO 0.11 -0.10 0.61 -0.62 -1.32 0.00 0.00 176.35 175.02 1su4 s ASP 426 N -3.79 -0.79 -0.29 3.68 2.15 -0.30 -4.81 116.67 112.52 1su4 s ASP 426 Ca 0.34 1.31 -0.14 0.00 0.43 0.00 0.00 52.55 54.49 1su4 s ASP 426 Cb -0.06 1.21 -0.03 0.00 -0.30 0.00 0.00 42.92 43.74 1su4 s ASP 426 CO 0.22 -0.22 0.34 0.12 -0.17 0.00 0.00 175.17 175.46 1su4 s PHE 427 N 1.37 3.23 -0.65 -5.34 5.36 -1.26 0.82 117.98 121.51 1su4 s PHE 427 Ca -0.08 0.25 -0.24 0.00 -0.96 0.00 0.00 56.93 55.90 1su4 s PHE 427 Cb -0.06 -2.57 0.06 0.00 -0.34 0.00 0.00 43.02 40.10 1su4 s PHE 427 CO -0.15 -0.28 1.02 1.21 -1.46 0.00 0.00 175.22 175.57 1su4 s ASN 428 N 1.69 6.21 0.52 6.13 3.84 -0.17 -4.89 114.94 128.28 1su4 s ASN 428 Ca 0.13 -0.72 0.24 0.00 0.21 0.00 0.00 52.86 52.72 1su4 s ASN 428 Cb -0.16 -2.45 1.36 0.00 -0.55 0.00 0.00 41.25 39.45 1su4 s ASN 428 CO 0.11 -1.47 2.00 -0.33 -2.79 0.00 0.00 177.10 174.62 1su4 h GLU 429 N 9.59 0.03 0.77 0.43 5.08 -1.96 0.56 114.58 129.08 1su4 h GLU 429 Ca -0.28 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1su4 h GLU 429 Cb 1.07 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.32 1su4 h GLU 429 CO 1.18 0.02 -0.37 1.15 -1.00 0.00 0.00 179.01 179.99 1su4 h THR 430 N 0.03 0.10 0.00 1.13 2.02 -1.95 -3.14 112.91 111.10 1su4 h THR 430 Ca 0.25 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1su4 h THR 430 Cb 0.95 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1su4 h THR 430 CO -0.01 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1su4 n LYS 431 N -5.48 0.13 -3.23 6.66 5.02 -0.96 -4.92 118.16 115.38 1su4 n LYS 431 Ca -0.13 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.06 1su4 n LYS 431 Cb 0.42 -1.66 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1su4 n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su4 n GLY 432 N 1.38 -0.38 3.08 0.72 0.00 0.19 -5.00 105.19 105.18 1su4 n GLY 432 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1su4 n GLY 432 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su4 s VAL 433 N -3.21 0.10 0.13 1.61 0.11 -1.11 -4.98 120.40 113.05 1su4 s VAL 433 Ca 0.41 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1su4 s VAL 433 Cb -0.18 -0.49 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1su4 s VAL 433 CO 0.51 -0.45 0.95 -0.31 -3.33 0.00 0.00 175.10 172.48 1su4 s TYR 434 N -1.63 3.84 0.19 1.54 1.51 -1.26 -0.99 117.35 120.54 1su4 s TYR 434 Ca -0.13 1.82 0.07 0.00 -1.01 0.00 0.00 57.07 57.82 1su4 s TYR 434 Cb -0.07 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.70 1su4 s TYR 434 CO -0.00 0.25 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.35 1su4 s GLU 435 N -0.21 1.27 0.39 -0.62 2.02 0.24 -4.71 118.70 117.08 1su4 s GLU 435 Ca 0.46 -1.54 -0.02 0.00 0.02 0.00 0.00 54.97 53.88 1su4 s GLU 435 Cb -0.24 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.93 1su4 s GLU 435 CO 0.30 0.17 0.64 -1.59 0.02 0.00 0.00 175.26 174.80 1su4 s LYS 436 N -3.60 3.53 -0.34 1.61 -2.85 -1.26 -1.15 119.74 115.67 1su4 s LYS 436 Ca 0.21 -0.09 -0.01 0.00 -1.00 0.00 0.00 55.97 55.08 1su4 s LYS 436 Cb -0.00 -2.55 0.12 0.00 -2.06 0.00 0.00 37.83 33.33 1su4 s LYS 436 CO 0.05 0.02 0.16 0.08 0.10 0.00 0.00 175.35 175.76 1su4 s VAL 437 N -2.45 0.63 0.00 1.79 1.01 -0.62 -4.86 120.40 115.90 1su4 s VAL 437 Ca 0.43 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1su4 s VAL 437 Cb -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1su4 s VAL 437 CO 0.39 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1su4 n GLY 438 N 4.49 0.03 3.74 4.51 0.00 -1.26 -1.81 105.19 114.89 1su4 n GLY 438 Ca 0.02 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1su4 n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su4 s GLU 439 N 0.00 4.26 0.37 1.61 0.41 -1.26 -4.89 118.70 119.19 1su4 s GLU 439 Ca 0.00 2.31 0.06 0.00 -0.41 0.00 0.00 54.97 56.93 1su4 s GLU 439 Cb 0.00 -3.11 0.76 0.00 -1.78 0.00 0.00 34.13 30.00 1su4 s GLU 439 CO 0.00 -0.43 1.96 0.00 -0.49 0.00 0.00 175.26 176.30 1su4 h ALA 440 N 5.06 1.72 0.00 5.21 0.00 -1.98 -0.42 119.26 128.85 1su4 h ALA 440 Ca -0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1su4 h ALA 440 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1su4 h ALA 440 CO 0.78 0.17 -0.31 1.15 0.00 0.00 0.00 179.25 181.04 1su4 h THR 441 N 0.74 1.00 0.11 0.00 2.02 -1.94 -1.96 112.91 112.88 1su4 h THR 441 Ca 0.31 -1.15 -0.33 0.00 0.77 0.00 0.00 66.41 66.01 1su4 h THR 441 Cb 0.26 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1su4 h THR 441 CO -0.10 0.30 -1.74 -0.33 0.37 0.00 0.00 175.52 174.02 1su4 h GLU 442 N 0.00 0.24 0.00 6.66 5.08 -1.64 -3.34 114.58 121.58 1su4 h GLU 442 Ca -0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1su4 h GLU 442 Cb 0.64 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1su4 h GLU 442 CO 0.04 1.08 -0.23 1.15 -1.00 0.00 0.00 179.01 180.05 1su4 h THR 443 N 0.07 0.92 -0.09 1.13 2.02 -0.96 -0.25 112.91 115.74 1su4 h THR 443 Ca -0.32 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 1su4 h THR 443 Cb 2.04 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 1su4 h THR 443 CO 0.13 0.22 -0.20 0.00 0.37 0.00 0.00 175.52 176.04 1su4 h ALA 444 N 1.77 1.51 -0.09 6.16 0.00 -1.48 0.83 119.26 127.96 1su4 h ALA 444 Ca -0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1su4 h ALA 444 Cb 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1su4 h ALA 444 CO 0.03 0.36 -0.68 -0.07 0.00 0.00 0.00 179.25 178.88 1su4 h LEU 445 N 0.13 0.75 0.15 0.00 4.07 -1.21 -1.85 115.31 117.35 1su4 h LEU 445 Ca 0.02 -0.67 -0.00 0.00 0.08 0.00 0.00 57.88 57.31 1su4 h LEU 445 Cb 0.44 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1su4 h LEU 445 CO 0.03 1.31 -0.11 0.74 -1.08 0.00 0.00 178.44 179.32 1su4 h THR 446 N 0.26 0.75 -0.17 0.22 2.02 -0.75 -2.06 112.91 113.18 1su4 h THR 446 Ca -0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1su4 h THR 446 Cb 1.33 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1su4 h THR 446 CO 0.14 0.00 -0.04 0.74 0.37 0.00 0.00 175.52 176.73 1su4 h THR 447 N -0.27 1.14 -0.18 3.16 2.02 -0.93 -2.62 112.91 115.24 1su4 h THR 447 Ca -0.01 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1su4 h THR 447 Cb 0.24 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1su4 h THR 447 CO -0.01 0.18 -0.02 0.25 0.37 0.00 0.00 175.52 176.29 1su4 h LEU 448 N 0.25 0.32 -1.33 2.58 5.85 -0.84 -2.37 115.31 119.77 1su4 h LEU 448 Ca 0.06 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1su4 h LEU 448 Cb 0.24 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1su4 h LEU 448 CO 0.01 0.59 0.20 -0.37 -0.34 0.00 0.00 178.44 178.53 1su4 h VAL 449 N 0.05 1.17 -0.85 1.05 -1.51 -1.19 0.22 116.25 115.19 1su4 h VAL 449 Ca 0.05 -0.51 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1su4 h VAL 449 Cb 0.44 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.16 1su4 h VAL 449 CO 0.01 0.20 0.56 -0.33 -1.23 0.00 0.00 177.57 176.79 1su4 h GLU 450 N 0.66 1.10 -0.04 5.19 4.39 -1.30 0.39 114.58 124.96 1su4 h GLU 450 Ca 0.16 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1su4 h GLU 450 Cb 0.11 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1su4 h GLU 450 CO -0.02 0.73 -0.79 0.87 -1.16 0.00 0.00 179.01 178.64 1su4 h LYS 451 N 1.14 0.34 -0.13 2.33 1.57 -0.67 -3.26 116.57 117.89 1su4 h LYS 451 Ca 0.32 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1su4 h LYS 451 Cb -0.10 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1su4 h LYS 451 CO -0.08 0.97 -0.02 0.52 -0.57 0.00 0.00 179.45 180.27 1su4 h MET 452 N 0.22 0.24 -6.80 3.15 2.86 0.09 -3.44 114.93 111.25 1su4 h MET 452 Ca -0.04 -0.09 -0.54 0.00 -2.06 0.00 0.00 59.70 56.97 1su4 h MET 452 Cb 1.38 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.02 1su4 h MET 452 CO 0.13 0.52 -1.02 -1.71 1.06 0.00 0.00 176.91 175.89 1su4 n ASN 453 N -4.74 -4.55 0.03 1.22 5.15 0.13 -4.47 115.26 108.02 1su4 n ASN 453 Ca -0.06 -1.14 0.13 0.00 -0.60 0.00 0.00 54.58 52.91 1su4 n ASN 453 Cb 0.24 -1.83 0.58 0.00 -0.53 0.00 0.00 39.78 38.25 1su4 n ASN 453 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1su4 h VAL 454 N -1.64 0.89 -0.76 3.44 -1.51 -1.92 -2.40 116.25 112.35 1su4 h VAL 454 Ca -0.67 -0.07 -0.33 0.00 -1.23 0.00 0.00 66.70 64.40 1su4 h VAL 454 Cb 1.40 0.67 -0.20 0.00 -2.13 0.00 0.00 31.29 31.03 1su4 h VAL 454 CO 0.45 0.04 0.42 0.49 -1.23 0.00 0.00 177.57 177.74 1su4 n PHE 455 N -4.46 2.40 -3.65 5.19 3.01 -1.26 -3.90 117.46 114.79 1su4 n PHE 455 Ca 0.06 -1.39 -0.25 0.00 1.01 0.00 0.00 57.45 56.88 1su4 n PHE 455 Cb 0.35 -0.75 -0.05 0.00 -0.01 0.00 0.00 39.48 39.02 1su4 n PHE 455 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1su4 n ASN 456 N -0.54 -1.45 -4.67 4.37 3.02 -0.90 -4.84 115.26 110.26 1su4 n ASN 456 Ca 0.44 -0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 1su4 n ASN 456 Cb 1.39 -1.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1su4 n ASN 456 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1su4 n THR 457 N -3.32 3.08 -2.59 3.41 -1.04 -1.26 -4.91 114.28 107.64 1su4 n THR 457 Ca 0.07 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 1su4 n THR 457 Cb 0.45 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1su4 n THR 457 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1su4 s GLU 458 N -2.44 4.38 0.00 -2.82 2.56 -1.26 -4.83 118.70 114.29 1su4 s GLU 458 Ca 0.67 1.51 0.00 0.00 0.00 0.00 0.00 54.97 57.15 1su4 s GLU 458 Cb -0.48 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.09 1su4 s GLU 458 CO 0.53 -0.40 0.00 1.33 -0.56 0.00 0.00 175.26 176.16 1su4 n VAL 459 N 4.65 0.00 -0.37 3.70 0.24 -1.26 -4.84 118.33 120.45 1su4 n VAL 459 Ca 0.10 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.68 1su4 n VAL 459 Cb 0.47 0.00 0.55 0.00 -1.47 0.00 0.00 33.84 33.39 1su4 n VAL 459 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1su4 h ARG 460 N 0.00 0.25 -0.56 7.34 0.11 -2.01 0.53 114.38 120.04 1su4 h ARG 460 Ca 0.00 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 1su4 h ARG 460 Cb 0.00 -0.06 -0.08 0.00 1.11 0.00 0.00 29.97 30.94 1su4 h ARG 460 CO 0.00 0.17 0.14 0.09 0.10 0.00 0.00 179.97 180.46 1su4 n ASN 461 N -4.80 4.38 -4.97 0.08 5.03 -1.26 -4.99 115.26 108.73 1su4 n ASN 461 Ca 0.32 -3.23 -0.21 0.00 0.87 0.00 0.00 54.58 52.33 1su4 n ASN 461 Cb 1.11 -0.68 0.03 0.00 -1.02 0.00 0.00 39.78 39.22 1su4 n ASN 461 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1su4 s LEU 462 N -2.97 3.42 0.64 3.41 1.43 0.18 -5.09 118.68 119.70 1su4 s LEU 462 Ca 0.51 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 1su4 s LEU 462 Cb 0.41 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1su4 s LEU 462 CO 0.11 -0.97 1.05 -0.55 0.23 0.00 0.00 176.35 176.21 1su4 s SER 463 N -4.36 5.71 0.36 2.29 0.15 -1.26 -4.83 113.70 111.76 1su4 s SER 463 Ca 0.54 1.65 0.10 0.00 0.70 0.00 0.00 55.95 58.95 1su4 s SER 463 Cb -0.10 -2.51 0.67 0.00 -1.71 0.00 0.00 66.02 62.37 1su4 s SER 463 CO 0.38 -1.22 1.82 0.50 1.20 0.00 0.00 173.24 175.92 1su4 h LYS 464 N -0.16 0.13 0.06 5.44 1.63 -1.98 0.32 116.57 122.01 1su4 h LYS 464 Ca -0.45 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.07 1su4 h LYS 464 Cb 1.21 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1su4 h LYS 464 CO 0.58 0.44 -1.07 0.28 -3.45 0.00 0.00 179.45 176.23 1su4 h VAL 465 N 0.12 1.51 -0.00 2.00 2.07 -1.92 -3.11 116.25 116.91 1su4 h VAL 465 Ca 0.02 -2.88 -0.09 0.00 0.82 0.00 0.00 66.70 64.57 1su4 h VAL 465 Cb 0.61 2.72 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1su4 h VAL 465 CO 0.04 0.84 -0.34 -0.33 0.02 0.00 0.00 177.57 177.80 1su4 h GLU 466 N 0.10 0.24 -0.90 1.57 5.08 -1.85 -3.29 114.58 115.53 1su4 h GLU 466 Ca -0.09 -0.25 0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1su4 h GLU 466 Cb 1.76 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 31.01 1su4 h GLU 466 CO 0.17 0.97 0.60 -0.09 -1.00 0.00 0.00 179.01 179.65 1su4 h ARG 467 N -0.39 0.40 -0.97 2.33 9.65 -0.48 -2.66 114.38 122.26 1su4 h ARG 467 Ca -0.04 -0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.01 1su4 h ARG 467 Cb 1.08 -0.09 -0.18 0.00 -1.39 0.00 0.00 29.97 29.39 1su4 h ARG 467 CO 0.07 0.26 -0.25 0.00 2.80 0.00 0.00 179.97 182.86 1su4 h ALA 468 N 1.61 0.64 0.00 2.80 0.00 -1.61 -2.78 119.26 119.92 1su4 h ALA 468 Ca 0.47 0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.76 1su4 h ALA 468 Cb 1.17 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1su4 h ALA 468 CO -0.18 -0.39 -0.03 0.09 0.00 0.00 0.00 179.25 178.75 1su4 n ASN 469 N -5.61 1.50 0.00 0.00 3.02 -1.17 -4.69 115.26 108.31 1su4 n ASN 469 Ca 0.15 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1su4 n ASN 469 Cb 0.49 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1su4 n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1su4 n ALA 470 N -0.50 0.00 0.14 5.41 0.00 -1.01 -1.41 120.51 123.14 1su4 n ALA 470 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1su4 n ALA 470 Cb 0.39 0.34 0.70 0.00 0.00 0.00 0.00 19.45 20.88 1su4 n ALA 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su4 h ASN 472 N 0.00 0.36 -0.25 0.00 2.35 -1.58 -3.08 115.58 113.38 1su4 h ASN 472 Ca 0.13 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1su4 h ASN 472 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1su4 h ASN 472 CO -0.00 0.88 -0.04 0.28 -1.65 0.00 0.00 177.43 176.91 1su4 h SER 473 N 0.24 0.47 -0.55 5.81 0.02 0.04 -1.60 113.55 117.98 1su4 h SER 473 Ca -0.01 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 60.71 1su4 h SER 473 Cb 1.13 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 63.43 1su4 h SER 473 CO 0.10 0.71 -0.17 0.58 -1.14 0.00 0.00 176.83 176.91 1su4 h VAL 474 N 0.23 0.40 -0.35 2.27 2.07 -1.45 -0.63 116.25 118.80 1su4 h VAL 474 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1su4 h VAL 474 Cb 0.49 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1su4 h VAL 474 CO 0.02 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.16 1su4 h ILE 475 N -0.04 1.18 0.00 4.57 2.04 -1.44 -2.51 117.51 121.31 1su4 h ILE 475 Ca 0.26 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1su4 h ILE 475 Cb 0.44 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1su4 h ILE 475 CO -0.58 0.20 0.00 0.03 0.00 0.00 0.00 178.15 177.79 1su4 h ARG 476 N 0.42 0.00 0.00 2.37 3.08 -0.15 -0.32 114.38 119.78 1su4 h ARG 476 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1su4 h ARG 476 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1su4 h ARG 476 CO -0.01 0.00 -0.88 1.96 -1.07 0.00 0.00 179.97 179.97 1su4 h GLN 477 N 0.00 0.00 0.01 0.04 4.20 -0.76 -3.34 115.11 115.26 1su4 h GLN 477 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 1su4 h GLN 477 Cb 0.04 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1su4 h GLN 477 CO 0.00 0.08 -1.70 -0.07 -0.67 0.00 0.00 178.83 176.47 1su4 h LEU 478 N 0.00 0.03 -8.25 1.46 3.38 -0.97 -3.42 115.31 107.54 1su4 h LEU 478 Ca -0.03 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 1su4 h LEU 478 Cb 1.12 -0.01 -0.31 0.00 0.09 0.00 0.00 40.66 41.55 1su4 h LEU 478 CO 0.01 1.07 -0.84 -0.04 0.09 0.00 0.00 178.44 178.73 1su4 s MET 479 N -2.60 1.80 -0.23 1.13 -1.94 -0.68 -1.22 119.30 115.57 1su4 s MET 479 Ca -0.06 -0.63 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1su4 s MET 479 Cb 0.08 -1.58 -0.02 0.00 2.01 0.00 0.00 34.83 35.33 1su4 s MET 479 CO 0.82 0.26 -0.01 0.21 -0.01 0.00 0.00 175.02 176.30 1su4 s LYS 480 N -0.01 3.47 -0.05 2.03 2.20 0.41 -4.50 119.74 123.30 1su4 s LYS 480 Ca -0.03 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.76 1su4 s LYS 480 Cb -0.11 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1su4 s LYS 480 CO 0.02 -0.18 0.75 0.21 -0.36 0.00 0.00 175.35 175.79 1su4 s LYS 481 N 1.49 4.46 -0.01 4.03 2.20 -1.26 -1.33 119.74 129.32 1su4 s LYS 481 Ca 0.06 0.98 0.12 0.00 -0.36 0.00 0.00 55.97 56.77 1su4 s LYS 481 Cb -0.15 -3.45 -0.15 0.00 -1.51 0.00 0.00 37.83 32.57 1su4 s LYS 481 CO -0.01 0.04 0.43 -0.85 -0.36 0.00 0.00 175.35 174.60 1su4 n GLU 482 N 3.81 2.18 -3.63 4.03 0.28 -0.84 -5.01 120.64 121.45 1su4 n GLU 482 Ca 0.00 -0.04 -0.03 0.00 -0.16 0.00 0.00 57.16 56.94 1su4 n GLU 482 Cb 0.51 -1.14 -0.03 0.00 1.43 0.00 0.00 31.44 32.22 1su4 n GLU 482 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1su4 s PHE 483 N -2.37 -0.04 -0.05 -1.84 -0.12 -1.25 -5.05 117.98 107.26 1su4 s PHE 483 Ca 0.02 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.00 1su4 s PHE 483 Cb 0.09 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1su4 s PHE 483 CO 0.50 -0.06 -0.25 0.99 -0.05 0.00 0.00 175.22 176.35 1su4 s THR 484 N -1.85 2.05 -0.64 -4.49 2.01 -1.26 -2.14 115.64 109.32 1su4 s THR 484 Ca 0.10 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 1su4 s THR 484 Cb -0.01 -1.73 0.11 0.00 0.01 0.00 0.00 72.50 70.88 1su4 s THR 484 CO -0.04 0.57 0.77 -0.76 -0.69 0.00 0.00 174.62 174.47 1su4 s LEU 485 N -0.24 5.36 0.44 4.42 1.43 0.72 -5.01 118.68 125.80 1su4 s LEU 485 Ca -0.01 -1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 51.36 1su4 s LEU 485 Cb -0.13 -2.31 -0.14 0.00 0.03 0.00 0.00 46.19 43.63 1su4 s LEU 485 CO 0.03 -1.11 0.19 -0.62 0.23 0.00 0.00 176.35 175.07 1su4 n GLU 486 N 6.33 0.17 -1.75 1.70 1.02 -1.26 -2.65 120.64 124.21 1su4 n GLU 486 Ca -0.05 0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 1su4 n GLU 486 Cb 0.43 -1.17 0.05 0.00 -0.02 0.00 0.00 31.44 30.73 1su4 n GLU 486 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1su4 s PHE 487 N -1.69 2.21 -0.02 -0.32 2.19 -1.26 -4.80 117.98 114.29 1su4 s PHE 487 Ca 0.61 1.38 0.01 0.00 0.33 0.00 0.00 56.93 59.26 1su4 s PHE 487 Cb -0.59 -3.81 0.01 0.00 -1.31 0.00 0.00 43.02 37.32 1su4 s PHE 487 CO 0.61 -3.00 -0.05 0.45 1.83 0.00 0.00 175.22 175.07 1su4 s SER 488 N -1.00 0.80 0.57 6.13 0.15 -1.20 -5.01 113.70 114.13 1su4 s SER 488 Ca 0.74 -0.11 0.36 0.00 0.70 0.00 0.00 55.95 57.64 1su4 s SER 488 Cb -0.41 -0.27 1.67 0.00 -1.71 0.00 0.00 66.02 65.30 1su4 s SER 488 CO 0.47 0.00 2.08 -0.09 1.20 0.00 0.00 173.24 176.91 1su4 h ARG 489 N 6.65 0.00 -0.36 5.44 1.12 -1.95 0.16 114.38 125.44 1su4 h ARG 489 Ca -0.35 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.48 1su4 h ARG 489 Cb 1.17 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.11 1su4 h ARG 489 CO 0.49 0.00 0.05 -0.44 -3.11 0.00 0.00 179.97 176.95 1su4 h ASP 490 N 0.00 0.58 0.00 -3.80 3.45 -1.96 -3.33 116.42 111.36 1su4 h ASP 490 Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1su4 h ASP 490 Cb 0.34 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 1su4 h ASP 490 CO 0.00 0.71 -0.61 -2.11 -1.57 0.00 0.00 179.24 175.66 1su4 n ARG 491 N -4.55 3.13 -3.06 3.56 1.85 -1.08 -5.02 116.66 111.48 1su4 n ARG 491 Ca -0.01 -0.01 -0.23 0.00 -1.00 0.00 0.00 57.85 56.60 1su4 n ARG 491 Cb 0.24 -1.04 0.03 0.00 -1.05 0.00 0.00 32.46 30.65 1su4 n ARG 491 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1su4 n LYS 492 N -1.32 -4.94 -3.88 2.89 5.02 0.54 -4.74 118.16 111.74 1su4 n LYS 492 Ca 0.02 0.88 -0.08 0.00 -2.02 0.00 0.00 58.31 57.11 1su4 n LYS 492 Cb 0.18 -5.75 -0.03 0.00 -0.02 0.00 0.00 35.03 29.41 1su4 n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1su4 s SER 493 N -2.73 -0.20 0.21 4.39 1.04 -1.25 -0.30 113.70 114.86 1su4 s SER 493 Ca 0.32 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 1su4 s SER 493 Cb -0.14 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1su4 s SER 493 CO 0.40 -1.22 0.18 0.00 0.98 0.00 0.00 173.24 173.58 1su4 s MET 494 N -3.94 1.26 0.15 4.02 0.23 0.61 -3.25 119.30 118.36 1su4 s MET 494 Ca 0.15 -1.58 -0.20 0.00 -1.03 0.00 0.00 55.69 53.02 1su4 s MET 494 Cb -0.03 0.30 0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1su4 s MET 494 CO 0.06 -0.43 0.51 -1.54 -2.03 0.00 0.00 175.02 171.59 1su4 s SER 495 N -3.14 -0.42 -0.05 -1.18 1.04 -1.08 -1.82 113.70 107.05 1su4 s SER 495 Ca 0.37 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.68 1su4 s SER 495 Cb 0.06 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1su4 s SER 495 CO 0.12 -0.92 -0.14 0.68 0.98 0.00 0.00 173.24 173.95 1su4 s VAL 496 N -3.78 1.23 -0.20 5.02 -7.23 -0.93 -0.20 120.40 114.31 1su4 s VAL 496 Ca 0.02 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 1su4 s VAL 496 Cb 0.00 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1su4 s VAL 496 CO -0.12 0.37 0.42 -0.47 -0.31 0.00 0.00 175.10 174.98 1su4 s TYR 497 N 0.22 3.37 0.31 2.82 6.14 -0.91 -1.31 117.35 128.00 1su4 s TYR 497 Ca -0.06 0.63 0.03 0.00 0.64 0.00 0.00 57.07 58.31 1su4 s TYR 497 Cb -0.12 -2.55 -0.06 0.00 0.42 0.00 0.00 41.96 39.65 1su4 s TYR 497 CO 0.02 -0.03 0.08 0.00 0.64 0.00 0.00 175.55 176.26 1su4 s SER 499 N -3.44 0.02 0.40 0.00 1.04 -0.44 -1.14 113.70 110.13 1su4 s SER 499 Ca 0.36 -0.84 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 1su4 s SER 499 Cb 0.08 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 1su4 s SER 499 CO 0.15 -0.91 1.26 -2.84 0.98 0.00 0.00 173.24 171.88 1su4 s PRO 500 N -3.96 4.01 0.39 4.02 0.02 -1.26 -0.44 135.00 137.78 1su4 s PRO 500 Ca 0.16 2.05 -0.24 0.00 0.02 0.00 0.00 61.00 63.00 1su4 s PRO 500 Cb 0.03 -2.75 -0.10 0.00 0.02 0.00 0.00 34.50 31.71 1su4 s PRO 500 CO -0.00 -0.42 1.00 0.00 -0.33 0.00 0.00 177.00 177.25 1su4 s ALA 501 N -1.30 3.09 -1.37 -1.55 0.00 -0.36 -3.36 121.76 116.91 1su4 s ALA 501 Ca 0.56 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1su4 s ALA 501 Cb -0.36 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1su4 s ALA 501 CO 0.46 -0.04 0.00 1.63 0.00 0.00 0.00 175.76 177.80 1su4 n LYS 502 N -0.09 -1.36 -2.97 0.00 5.02 -1.26 -4.91 118.16 112.58 1su4 n LYS 502 Ca 0.05 0.79 -0.40 0.00 -2.02 0.00 0.00 58.31 56.73 1su4 n LYS 502 Cb 0.51 -5.02 -0.04 0.00 -0.02 0.00 0.00 35.03 30.46 1su4 n LYS 502 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1su4 s SER 503 N -2.12 7.09 0.05 4.39 0.15 -1.21 -4.95 113.70 117.08 1su4 s SER 503 Ca 0.00 1.31 0.26 0.00 0.70 0.00 0.00 55.95 58.22 1su4 s SER 503 Cb 0.00 -2.45 0.61 0.00 -1.71 0.00 0.00 66.02 62.47 1su4 s SER 503 CO 0.00 -0.13 1.50 -1.54 1.20 0.00 0.00 173.24 174.27 1su4 n SER 504 N 3.71 0.48 -4.13 5.45 3.41 -1.26 -4.44 113.62 116.84 1su4 n SER 504 Ca 0.00 0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1su4 n SER 504 Cb 0.51 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1su4 n SER 504 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1su4 n ARG 505 N -1.72 3.44 -0.33 4.33 5.12 -1.26 -4.86 116.66 121.38 1su4 n ARG 505 Ca 0.05 -3.55 0.22 0.00 -1.93 0.00 0.00 57.85 52.64 1su4 n ARG 505 Cb 0.37 -3.04 0.42 0.00 -1.16 0.00 0.00 32.46 29.05 1su4 n ARG 505 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1su4 h ALA 506 N 6.40 1.64 -0.93 7.54 0.00 -1.99 0.18 119.26 132.11 1su4 h ALA 506 Ca 0.39 0.29 -0.56 0.00 0.00 0.00 0.00 54.91 55.02 1su4 h ALA 506 Cb 0.74 0.42 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 1su4 h ALA 506 CO 1.50 -0.71 0.60 0.00 0.00 0.00 0.00 179.25 180.64 1su4 n ALA 507 N -2.67 5.79 -3.60 0.00 0.00 -1.26 -4.91 120.51 113.86 1su4 n ALA 507 Ca 0.29 -3.24 -0.21 0.00 0.00 0.00 0.00 53.44 50.28 1su4 n ALA 507 Cb 0.97 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 1su4 n ALA 507 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1su4 s VAL 508 N -4.06 0.66 0.00 0.00 1.01 0.05 -4.82 120.40 113.24 1su4 s VAL 508 Ca 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1su4 s VAL 508 Cb 0.48 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1su4 s VAL 508 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1su4 n GLY 509 N 4.05 0.43 3.75 4.51 0.00 -1.26 -4.53 105.19 112.15 1su4 n GLY 509 Ca -0.24 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1su4 n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1su4 s ASN 510 N -2.64 6.99 0.13 1.61 0.01 -1.26 -4.34 114.94 115.44 1su4 s ASN 510 Ca 0.00 2.38 0.01 0.00 -0.71 0.00 0.00 52.86 54.54 1su4 s ASN 510 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1su4 s ASN 510 CO 0.00 -0.42 -0.01 -0.54 -1.51 0.00 0.00 177.10 174.62 1su4 s LYS 511 N -0.65 0.92 -0.12 -0.60 -0.14 -0.29 -4.44 119.74 114.43 1su4 s LYS 511 Ca 0.52 -1.41 0.01 0.00 -1.36 0.00 0.00 55.97 53.73 1su4 s LYS 511 Cb -0.35 -0.08 0.02 0.00 -1.68 0.00 0.00 37.83 35.74 1su4 s LYS 511 CO 0.41 -0.12 -0.13 -1.64 -0.76 0.00 0.00 175.35 173.11 1su4 s MET 512 N -3.92 2.04 -0.25 1.68 -1.94 -1.16 0.49 119.30 116.25 1su4 s MET 512 Ca 0.18 -0.48 -0.08 0.00 -1.71 0.00 0.00 55.69 53.60 1su4 s MET 512 Cb 0.06 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.04 1su4 s MET 512 CO -0.01 -0.14 0.10 -0.06 -0.01 0.00 0.00 175.02 174.90 1su4 s PHE 513 N 1.23 3.14 -0.07 -0.03 0.08 -0.42 -0.19 117.98 121.71 1su4 s PHE 513 Ca -0.02 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 1su4 s PHE 513 Cb -0.14 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1su4 s PHE 513 CO -0.05 -0.24 -0.04 0.08 -0.10 0.00 0.00 175.22 174.88 1su4 s VAL 514 N 1.48 3.97 0.02 -0.44 1.01 0.20 -2.19 120.40 124.44 1su4 s VAL 514 Ca 0.06 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1su4 s VAL 514 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1su4 s VAL 514 CO 0.05 0.59 -0.07 -0.75 0.00 0.00 0.00 175.10 174.93 1su4 s LYS 515 N -0.87 0.49 0.00 2.72 2.20 -0.76 -0.03 119.74 123.50 1su4 s LYS 515 Ca 0.13 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1su4 s LYS 515 Cb -0.11 -0.37 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1su4 s LYS 515 CO 0.02 0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1su4 n GLY 516 N 2.21 -0.87 3.71 5.54 0.00 -0.92 -0.29 105.19 114.57 1su4 n GLY 516 Ca -0.18 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1su4 n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su4 n ALA 517 N -0.63 1.54 -0.22 4.61 0.00 0.59 -1.52 120.51 124.88 1su4 n ALA 517 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1su4 n ALA 517 Cb 0.00 -2.30 0.08 0.00 0.00 0.00 0.00 19.45 17.23 1su4 n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1su4 h PRO 518 N 2.94 0.03 0.32 0.00 0.11 -1.91 -3.14 132.00 130.36 1su4 h PRO 518 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1su4 h PRO 518 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1su4 h PRO 518 CO 0.65 0.02 -0.24 1.49 -0.21 0.00 0.00 178.00 179.71 1su4 h GLU 519 N 0.03 -0.52 -0.44 1.05 4.81 -1.98 0.30 114.58 117.83 1su4 h GLU 519 Ca 0.32 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.66 1su4 h GLU 519 Cb 0.51 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 1su4 h GLU 519 CO -0.63 -0.35 0.04 0.78 -0.73 0.00 0.00 179.01 178.12 1su4 h GLY 520 N -0.54 0.49 0.94 1.92 0.00 -1.86 -0.03 103.07 103.98 1su4 h GLY 520 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1su4 h GLY 520 CO 0.02 -0.08 -0.30 -2.08 0.00 0.00 0.00 176.54 174.10 1su4 h VAL 521 N 0.16 0.39 -0.97 4.60 2.07 -1.55 -2.23 116.25 118.73 1su4 h VAL 521 Ca 0.22 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.91 1su4 h VAL 521 Cb 0.30 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1su4 h VAL 521 CO -0.32 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.28 1su4 h ILE 522 N -0.78 0.77 0.00 4.57 1.08 -0.65 0.47 117.51 122.96 1su4 h ILE 522 Ca -0.07 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 1su4 h ILE 522 Cb 0.62 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1su4 h ILE 522 CO 0.10 0.14 -0.18 0.44 -0.69 0.00 0.00 178.15 177.95 1su4 h ASP 523 N 0.74 0.00 -0.58 1.72 3.45 -0.62 -2.65 116.42 118.48 1su4 h ASP 523 Ca 0.52 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.97 1su4 h ASP 523 Cb 0.84 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 1su4 h ASP 523 CO -0.29 0.18 0.02 0.54 -1.57 0.00 0.00 179.24 178.12 1su4 n ARG 524 N -3.82 4.79 -3.77 3.56 1.74 0.15 -4.88 116.66 114.43 1su4 n ARG 524 Ca -0.02 -3.12 -0.36 0.00 -0.77 0.00 0.00 57.85 53.58 1su4 n ARG 524 Cb 0.28 -2.26 -0.13 0.00 -1.02 0.00 0.00 32.46 29.33 1su4 n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1su4 n ASN 526 N 4.91 1.49 -4.24 0.00 3.02 0.08 -4.79 115.26 115.73 1su4 n ASN 526 Ca -0.16 -1.22 -0.14 0.00 -0.03 0.00 0.00 54.58 53.03 1su4 n ASN 526 Cb 0.51 0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 40.27 1su4 n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1su4 s TYR 527 N -2.73 1.22 -0.03 3.10 2.02 -0.82 -0.81 117.35 119.30 1su4 s TYR 527 Ca 0.14 -0.89 0.04 0.00 -0.37 0.00 0.00 57.07 55.98 1su4 s TYR 527 Cb 0.17 -0.67 -0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1su4 s TYR 527 CO 0.71 -0.07 -0.14 0.08 -1.57 0.00 0.00 175.55 174.56 1su4 s VAL 528 N -3.50 1.13 -0.08 0.71 1.01 0.92 -0.31 120.40 120.29 1su4 s VAL 528 Ca 0.20 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1su4 s VAL 528 Cb 0.05 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1su4 s VAL 528 CO 0.02 0.33 0.52 -0.60 0.00 0.00 0.00 175.10 175.37 1su4 s ARG 529 N -0.03 4.32 -0.31 2.72 3.52 -0.14 -0.94 118.95 128.09 1su4 s ARG 529 Ca -0.01 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1su4 s ARG 529 Cb -0.09 -3.41 0.09 0.00 -1.56 0.00 0.00 34.95 29.99 1su4 s ARG 529 CO 0.01 0.21 0.05 0.08 -0.81 0.00 0.00 175.30 174.84 1su4 s VAL 530 N 0.41 1.70 0.00 7.11 1.01 0.50 -4.34 120.40 126.79 1su4 s VAL 530 Ca 0.28 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1su4 s VAL 530 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1su4 s VAL 530 CO 0.13 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1su4 n GLY 531 N 4.51 3.41 0.23 4.51 0.00 -1.26 -1.02 105.19 115.58 1su4 n GLY 531 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1su4 n GLY 531 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1su4 n THR 532 N 0.00 0.00 -2.33 2.61 -2.24 -1.26 -4.03 114.28 107.04 1su4 n THR 532 Ca 0.00 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 1su4 n THR 532 Cb 0.00 1.12 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1su4 n THR 532 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1su4 s THR 533 N -2.04 2.33 -0.02 4.28 -4.23 -0.18 -5.10 115.64 110.68 1su4 s THR 533 Ca 0.10 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1su4 s THR 533 Cb 0.12 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1su4 s THR 533 CO 0.46 0.00 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.91 1su4 s ARG 534 N -5.16 0.43 0.15 3.99 3.52 -1.26 -0.37 118.95 120.25 1su4 s ARG 534 Ca 0.61 -0.09 0.06 0.00 -0.13 0.00 0.00 55.73 56.18 1su4 s ARG 534 Cb -0.10 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 1su4 s ARG 534 CO 0.44 0.01 -0.14 0.14 -0.81 0.00 0.00 175.30 174.94 1su4 s VAL 535 N 0.35 1.42 0.57 7.11 -7.23 -0.12 -4.94 120.40 117.56 1su4 s VAL 535 Ca -0.04 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 1su4 s VAL 535 Cb -0.07 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1su4 s VAL 535 CO -0.00 -0.50 1.31 -2.84 -0.31 0.00 0.00 175.10 172.76 1su4 s PRO 536 N -3.04 3.02 0.28 4.82 0.02 -1.26 -0.05 135.00 138.77 1su4 s PRO 536 Ca 0.13 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 1su4 s PRO 536 Cb -0.03 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 1su4 s PRO 536 CO 0.04 -1.25 1.15 1.41 -0.33 0.00 0.00 177.00 178.02 1su4 s MET 537 N -3.06 4.56 0.17 5.54 -2.45 0.01 -4.60 119.30 119.47 1su4 s MET 537 Ca 0.74 1.89 0.06 0.00 -1.25 0.00 0.00 55.69 57.14 1su4 s MET 537 Cb -0.38 -3.17 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 1su4 s MET 537 CO 0.43 0.09 -0.12 0.95 1.05 0.00 0.00 175.02 177.42 1su4 s THR 538 N -0.99 1.43 0.13 10.11 -4.23 -1.26 -4.93 115.64 115.89 1su4 s THR 538 Ca 0.47 -2.12 -0.24 0.00 -1.18 0.00 0.00 61.69 58.62 1su4 s THR 538 Cb -0.34 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1su4 s THR 538 CO 0.43 -0.67 1.65 1.23 -0.54 0.00 0.00 174.62 176.71 1su4 h GLY 539 N 2.70 -0.22 0.54 3.99 0.00 -1.97 0.18 103.07 108.30 1su4 h GLY 539 Ca -0.37 0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.29 1su4 h GLY 539 CO 0.62 -0.19 0.33 -2.55 0.00 0.00 0.00 176.54 174.76 1su4 h PRO 540 N -0.29 0.57 -0.30 4.80 0.11 -1.98 0.30 132.00 135.21 1su4 h PRO 540 Ca 0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1su4 h PRO 540 Cb 0.42 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1su4 h PRO 540 CO -0.26 0.38 0.11 0.28 -0.21 0.00 0.00 178.00 178.29 1su4 h VAL 541 N 0.59 1.19 -0.35 3.15 2.07 -1.43 -1.15 116.25 120.33 1su4 h VAL 541 Ca 0.32 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1su4 h VAL 541 Cb 0.29 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1su4 h VAL 541 CO -0.24 0.21 0.11 0.50 0.02 0.00 0.00 177.57 178.17 1su4 h LYS 542 N 0.33 0.49 -0.30 1.57 3.64 0.01 -2.10 116.57 120.22 1su4 h LYS 542 Ca 0.10 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1su4 h LYS 542 Cb 0.22 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1su4 h LYS 542 CO -0.01 0.43 -0.49 1.49 -2.27 0.00 0.00 179.45 178.61 1su4 h GLU 543 N 0.49 0.86 0.10 1.90 4.81 0.01 -2.18 114.58 120.56 1su4 h GLU 543 Ca 0.12 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1su4 h GLU 543 Cb 0.14 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1su4 h GLU 543 CO -0.01 1.16 -0.05 -0.22 -0.73 0.00 0.00 179.01 179.17 1su4 h LYS 544 N 0.64 -0.12 0.02 1.92 3.11 -0.90 -1.03 116.57 120.21 1su4 h LYS 544 Ca 0.02 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1su4 h LYS 544 Cb 1.10 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 32.31 1su4 h LYS 544 CO 0.11 0.08 -0.31 0.82 -2.81 0.00 0.00 179.45 177.34 1su4 h ILE 545 N -0.31 0.32 -0.05 2.00 2.04 -1.42 -1.78 117.51 118.31 1su4 h ILE 545 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1su4 h ILE 545 Cb 0.26 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1su4 h ILE 545 CO 0.02 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 178.14 1su4 h LEU 546 N -0.47 0.00 -0.17 1.44 3.38 -1.32 -2.39 115.31 115.78 1su4 h LEU 546 Ca 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1su4 h LEU 546 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1su4 h LEU 546 CO -0.25 0.00 -0.67 0.77 0.09 0.00 0.00 178.44 178.38 1su4 h SER 547 N 0.00 0.89 0.34 -0.43 4.64 -0.33 -1.76 113.55 116.89 1su4 h SER 547 Ca 0.02 -0.61 -0.08 0.00 -0.47 0.00 0.00 61.79 60.65 1su4 h SER 547 Cb 0.10 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1su4 h SER 547 CO -0.00 1.35 -0.37 0.58 -0.87 0.00 0.00 176.83 177.52 1su4 h VAL 548 N 0.48 1.27 0.00 0.95 2.07 -1.10 0.10 116.25 120.03 1su4 h VAL 548 Ca -0.04 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 1su4 h VAL 548 Cb 1.30 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1su4 h VAL 548 CO 0.14 0.38 -0.46 0.40 0.02 0.00 0.00 177.57 178.05 1su4 h ILE 549 N 0.04 1.16 0.13 4.57 2.04 -1.30 -1.46 117.51 122.69 1su4 h ILE 549 Ca 0.00 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 1su4 h ILE 549 Cb 0.68 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1su4 h ILE 549 CO 0.05 0.45 -0.06 0.50 0.00 0.00 0.00 178.15 179.09 1su4 h LYS 550 N 0.00 -0.17 -0.65 2.37 3.64 -0.32 -1.99 116.57 119.45 1su4 h LYS 550 Ca -0.00 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1su4 h LYS 550 Cb 0.91 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.65 1su4 h LYS 550 CO 0.06 0.29 -0.07 1.49 -2.27 0.00 0.00 179.45 178.95 1su4 h GLU 551 N -0.86 0.06 -0.49 1.90 4.81 -0.75 0.14 114.58 119.38 1su4 h GLU 551 Ca -0.02 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1su4 h GLU 551 Cb 0.54 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1su4 h GLU 551 CO 0.03 0.04 0.01 -1.49 -0.73 0.00 0.00 179.01 176.87 1su4 h TRP 552 N 0.06 0.94 -0.19 0.92 4.06 -1.32 0.76 115.95 121.19 1su4 h TRP 552 Ca 0.33 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1su4 h TRP 552 Cb 0.54 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1su4 h TRP 552 CO -0.44 0.88 0.00 0.41 -3.56 0.00 0.00 178.44 175.73 1su4 n GLY 553 N -0.40 -0.01 0.12 1.49 0.00 -0.65 -1.37 105.19 104.36 1su4 n GLY 553 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1su4 n GLY 553 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1su4 n THR 554 N 0.08 0.00 -0.39 2.61 -1.04 0.39 -4.63 114.28 111.30 1su4 n THR 554 Ca 0.11 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.91 1su4 n THR 554 Cb 0.21 -0.44 0.19 0.00 -1.82 0.00 0.00 70.33 68.47 1su4 n THR 554 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1su4 n GLY 555 N 2.92 -2.64 0.18 3.41 0.00 0.26 -4.60 105.19 104.72 1su4 n GLY 555 Ca 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.25 1su4 n GLY 555 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1su4 h ARG 556 N 0.00 0.00 0.00 1.61 0.11 -1.90 -1.85 114.38 112.35 1su4 h ARG 556 Ca -0.26 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.79 1su4 h ARG 556 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.95 1su4 h ARG 556 CO 0.16 0.00 -1.39 -0.25 0.10 0.00 0.00 179.97 178.59 1su4 n ASP 557 N -2.18 0.58 -4.11 0.08 8.00 -1.26 -3.00 116.55 114.67 1su4 n ASP 557 Ca -0.01 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 1su4 n ASP 557 Cb 0.26 0.87 -0.09 0.00 -0.02 0.00 0.00 41.12 42.14 1su4 n ASP 557 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1su4 n THR 558 N -2.59 -0.92 -1.90 -3.53 -1.04 -0.70 -4.84 114.28 98.77 1su4 n THR 558 Ca -0.04 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.05 61.14 1su4 n THR 558 Cb 0.61 -0.91 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 1su4 n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1su4 s LEU 559 N -6.90 3.99 -0.19 -4.42 1.43 -0.47 -4.88 118.68 107.23 1su4 s LEU 559 Ca 0.01 2.71 -0.23 0.00 -1.03 0.00 0.00 54.13 55.60 1su4 s LEU 559 Cb -0.01 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1su4 s LEU 559 CO 0.89 -1.28 0.72 -0.60 0.23 0.00 0.00 176.35 176.30 1su4 s ARG 560 N -2.68 4.24 -0.07 1.70 3.52 0.68 -4.17 118.95 122.18 1su4 s ARG 560 Ca 0.66 0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 57.02 1su4 s ARG 560 Cb -0.39 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1su4 s ARG 560 CO 0.48 -0.29 0.06 0.00 -0.81 0.00 0.00 175.30 174.74 1su4 s LEU 562 N -1.19 1.65 0.04 0.00 1.02 -0.65 -4.38 118.68 115.17 1su4 s LEU 562 Ca 0.17 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 53.93 1su4 s LEU 562 Cb -0.12 -0.72 -0.06 0.00 0.02 0.00 0.00 46.19 45.31 1su4 s LEU 562 CO 0.06 0.04 0.42 0.00 0.02 0.00 0.00 176.35 176.89 1su4 s ALA 563 N 0.55 3.70 -0.11 4.21 0.00 -0.57 -1.75 121.76 127.78 1su4 s ALA 563 Ca -0.11 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1su4 s ALA 563 Cb -0.14 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1su4 s ALA 563 CO 0.02 0.51 -0.21 -0.51 0.00 0.00 0.00 175.76 175.57 1su4 s LEU 564 N -1.43 2.02 0.22 0.00 1.43 -0.25 -2.17 118.68 118.50 1su4 s LEU 564 Ca 0.28 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1su4 s LEU 564 Cb -0.16 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1su4 s LEU 564 CO 0.15 0.10 0.10 0.00 0.23 0.00 0.00 176.35 176.93 1su4 s ALA 565 N 0.63 1.44 -0.05 4.21 0.00 0.96 -1.63 121.76 127.32 1su4 s ALA 565 Ca -0.12 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.09 1su4 s ALA 565 Cb -0.16 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1su4 s ALA 565 CO 0.03 -0.49 -0.08 0.99 0.00 0.00 0.00 175.76 176.20 1su4 s THR 566 N -3.90 0.82 -0.51 0.00 2.01 -0.42 0.61 115.64 114.26 1su4 s THR 566 Ca 0.36 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 1su4 s THR 566 Cb 0.07 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1su4 s THR 566 CO 0.11 0.29 0.81 -0.60 -0.69 0.00 0.00 174.62 174.54 1su4 s ARG 567 N 0.76 3.30 0.30 4.92 3.52 0.73 -0.65 118.95 131.82 1su4 s ARG 567 Ca -0.13 -0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 1su4 s ARG 567 Cb -0.15 -4.02 0.44 0.00 -1.56 0.00 0.00 34.95 29.65 1su4 s ARG 567 CO 0.02 -1.29 1.93 -0.44 -0.81 0.00 0.00 175.30 174.71 1su4 h ASP 568 N 9.12 0.89 -3.59 -2.12 3.45 -1.86 -3.08 116.42 119.24 1su4 h ASP 568 Ca -0.26 -0.06 -0.62 0.00 0.43 0.00 0.00 57.03 56.52 1su4 h ASP 568 Cb 1.08 -0.23 -0.41 0.00 -0.56 0.00 0.00 39.33 39.22 1su4 h ASP 568 CO 1.01 0.71 -0.67 -0.89 -1.57 0.00 0.00 179.24 177.83 1su4 s THR 569 N -5.71 2.18 0.56 0.35 2.01 -1.26 -4.76 115.64 109.00 1su4 s THR 569 Ca -0.11 -3.35 -0.17 0.00 0.31 0.00 0.00 61.69 58.37 1su4 s THR 569 Cb 0.17 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1su4 s THR 569 CO 0.79 -0.92 1.04 -2.16 -0.69 0.00 0.00 174.62 172.68 1su4 s PRO 570 N -0.45 3.50 1.21 4.92 0.04 -1.25 -5.04 135.00 137.92 1su4 s PRO 570 Ca 0.21 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 1su4 s PRO 570 Cb -0.17 -2.06 0.29 0.00 0.04 0.00 0.00 34.50 32.61 1su4 s PRO 570 CO -0.07 -0.67 1.03 -1.25 0.04 0.00 0.00 177.00 176.09 1su4 s PRO 571 N -3.91 -1.26 0.22 0.56 0.04 -1.26 -4.97 135.00 124.42 1su4 s PRO 571 Ca 0.64 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 1su4 s PRO 571 Cb -0.15 -1.55 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 1su4 s PRO 571 CO 0.33 -3.83 0.99 0.15 0.04 0.00 0.00 177.00 174.68 1su4 s LYS 572 N -4.92 4.76 0.30 4.56 -0.14 -1.26 -4.94 119.74 118.10 1su4 s LYS 572 Ca 0.68 1.57 0.03 0.00 -1.36 0.00 0.00 55.97 56.90 1su4 s LYS 572 Cb -0.17 -3.28 0.61 0.00 -1.68 0.00 0.00 37.83 33.30 1su4 s LYS 572 CO 0.60 0.36 1.87 -0.09 -0.76 0.00 0.00 175.35 177.32 1su4 h ARG 573 N 4.41 0.91 -0.12 1.68 2.43 -1.96 0.11 114.38 121.85 1su4 h ARG 573 Ca -0.45 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1su4 h ARG 573 Cb 1.21 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1su4 h ARG 573 CO 0.69 0.60 0.18 0.93 -1.51 0.00 0.00 179.97 180.86 1su4 h GLU 574 N 0.94 0.00 -0.50 0.20 3.07 -2.04 -1.28 114.58 114.97 1su4 h GLU 574 Ca 0.45 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1su4 h GLU 574 Cb 0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1su4 h GLU 574 CO -0.21 0.00 0.05 0.39 -1.40 0.00 0.00 179.01 177.83 1su4 n GLU 575 N -3.53 3.97 -4.66 2.33 1.02 0.39 -4.95 120.64 115.20 1su4 n GLU 575 Ca 0.00 -3.06 -0.33 0.00 -0.02 0.00 0.00 57.16 53.75 1su4 n GLU 575 Cb 0.28 -2.12 -0.15 0.00 -0.02 0.00 0.00 31.44 29.43 1su4 n GLU 575 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1su4 s MET 576 N -2.86 3.24 -0.45 3.49 -1.94 -0.48 -4.90 119.30 115.40 1su4 s MET 576 Ca 0.51 -0.75 -0.28 0.00 -1.71 0.00 0.00 55.69 53.46 1su4 s MET 576 Cb 0.40 -2.59 0.03 0.00 2.01 0.00 0.00 34.83 34.67 1su4 s MET 576 CO 0.13 0.08 1.09 0.08 -0.01 0.00 0.00 175.02 176.39 1su4 s VAL 577 N 0.65 4.30 -2.64 -6.03 1.01 -1.26 -4.91 120.40 111.53 1su4 s VAL 577 Ca -0.08 1.23 0.25 0.00 0.00 0.00 0.00 61.98 63.37 1su4 s VAL 577 Cb -0.16 -4.54 0.39 0.00 0.00 0.00 0.00 36.38 32.07 1su4 s VAL 577 CO 0.02 -0.89 1.49 0.18 0.00 0.00 0.00 175.10 175.90 1su4 n LEU 578 N 7.56 2.38 -0.27 3.92 4.77 -1.26 -4.18 117.00 129.92 1su4 n LEU 578 Ca 0.11 -0.87 0.05 0.00 -0.03 0.00 0.00 56.01 55.27 1su4 n LEU 578 Cb 0.49 -0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1su4 n LEU 578 CO 0.68 0.44 0.58 -0.90 -1.33 0.00 0.00 177.39 176.85 1su4 n ASP 579 N 0.83 2.56 -3.42 -1.43 5.68 -1.26 -4.86 116.55 114.65 1su4 n ASP 579 Ca 0.17 -2.47 -0.27 0.00 -0.50 0.00 0.00 54.79 51.71 1su4 n ASP 579 Cb 0.48 -0.25 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 1su4 n ASP 579 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1su4 s ASP 580 N -1.69 1.78 0.56 -1.12 2.15 -1.26 -4.99 116.67 112.10 1su4 s ASP 580 Ca 0.20 -2.92 0.45 0.00 0.43 0.00 0.00 52.55 50.71 1su4 s ASP 580 Cb 0.16 -0.46 1.63 0.00 -0.30 0.00 0.00 42.92 43.94 1su4 s ASP 580 CO 0.05 -0.19 1.62 0.77 -0.17 0.00 0.00 175.17 177.25 1su4 h SER 581 N 5.89 0.00 0.25 -0.34 4.64 -1.89 0.54 113.55 122.64 1su4 h SER 581 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1su4 h SER 581 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1su4 h SER 581 CO 0.36 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 1su4 n SER 582 N -3.94 0.00 0.00 4.97 3.41 -1.26 -1.37 113.62 115.44 1su4 n SER 582 Ca 0.37 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1su4 n SER 582 Cb 1.76 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 65.25 1su4 n SER 582 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1su4 n ARG 583 N -1.37 0.24 -0.00 4.33 5.12 0.19 -4.47 116.66 120.69 1su4 n ARG 583 Ca 0.04 -0.05 -0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1su4 n ARG 583 Cb 0.09 -1.53 0.29 0.00 -1.16 0.00 0.00 32.46 30.16 1su4 n ARG 583 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1su4 h PHE 584 N 0.00 0.54 -0.52 -1.55 0.05 -1.34 -2.96 116.94 111.16 1su4 h PHE 584 Ca 0.00 -0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.80 1su4 h PHE 584 Cb 0.68 -0.16 -0.05 0.00 2.00 0.00 0.00 35.95 38.42 1su4 h PHE 584 CO 0.00 0.54 0.22 1.98 -0.18 0.00 0.00 178.31 180.87 1su4 h MET 585 N 0.50 0.41 -0.67 1.51 4.05 -1.78 -1.45 114.93 117.49 1su4 h MET 585 Ca 0.11 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1su4 h MET 585 Cb 0.34 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1su4 h MET 585 CO 0.01 0.27 0.43 0.93 0.23 0.00 0.00 176.91 178.79 1su4 h GLU 586 N 0.42 0.84 0.00 0.39 4.39 -1.83 -1.17 114.58 117.63 1su4 h GLU 586 Ca 0.24 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1su4 h GLU 586 Cb 0.23 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1su4 h GLU 586 CO -0.22 0.56 -0.07 1.88 -1.16 0.00 0.00 179.01 179.99 1su4 h TYR 587 N 0.87 0.00 -2.11 4.33 0.05 -1.33 -2.87 116.97 115.90 1su4 h TYR 587 Ca 0.26 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.29 1su4 h TYR 587 Cb -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 37.39 1su4 h TYR 587 CO -0.04 0.07 0.68 0.39 -1.05 0.00 0.00 178.16 178.22 1su4 n GLU 588 N -3.52 4.13 -4.38 4.88 1.02 -0.44 -4.83 120.64 117.49 1su4 n GLU 588 Ca -0.02 -4.31 -0.19 0.00 -0.02 0.00 0.00 57.16 52.62 1su4 n GLU 588 Cb 0.20 -2.36 -0.10 0.00 -0.02 0.00 0.00 31.44 29.16 1su4 n GLU 588 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1su4 s THR 589 N -4.70 1.20 -1.11 2.62 -1.32 -1.09 -4.81 115.64 106.44 1su4 s THR 589 Ca 0.45 -2.05 -0.04 0.00 -1.21 0.00 0.00 61.69 58.85 1su4 s THR 589 Cb 0.30 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1su4 s THR 589 CO -0.23 -0.24 0.94 -0.67 -2.21 0.00 0.00 174.62 172.22 1su4 n ASP 590 N -0.52 -3.83 -4.93 8.08 2.03 -0.98 -4.94 116.55 111.46 1su4 n ASP 590 Ca -0.04 -0.50 -0.26 0.00 0.52 0.00 0.00 54.79 54.51 1su4 n ASP 590 Cb 0.64 -4.48 0.02 0.00 -0.72 0.00 0.00 41.12 36.59 1su4 n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1su4 s LEU 591 N -6.11 3.41 -0.20 -2.67 1.43 0.21 -4.51 118.68 110.23 1su4 s LEU 591 Ca 0.24 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1su4 s LEU 591 Cb -0.11 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1su4 s LEU 591 CO 0.63 -0.89 -0.11 -0.89 0.23 0.00 0.00 176.35 175.32 1su4 s THR 592 N -2.83 2.77 0.11 5.49 2.01 0.17 -0.74 115.64 122.63 1su4 s THR 592 Ca 0.51 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 1su4 s THR 592 Cb -0.10 -2.23 -0.08 0.00 0.01 0.00 0.00 72.50 70.09 1su4 s THR 592 CO 0.43 0.46 1.39 0.12 -0.69 0.00 0.00 174.62 176.33 1su4 s PHE 593 N 1.39 3.24 -0.10 4.92 2.19 0.58 -1.30 117.98 128.90 1su4 s PHE 593 Ca 0.05 0.96 -0.07 0.00 0.33 0.00 0.00 56.93 58.19 1su4 s PHE 593 Cb -0.14 -3.68 -0.05 0.00 -1.31 0.00 0.00 43.02 37.85 1su4 s PHE 593 CO -0.08 -2.37 -0.17 0.28 1.83 0.00 0.00 175.22 174.72 1su4 n VAL 594 N 3.96 0.95 -3.43 3.12 0.31 -0.65 -0.96 118.33 121.62 1su4 n VAL 594 Ca 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1su4 n VAL 594 Cb 0.42 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1su4 n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1su4 n GLY 595 N 2.28 1.22 2.95 2.92 0.00 -0.94 -4.21 105.19 109.42 1su4 n GLY 595 Ca -0.20 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1su4 n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su4 s VAL 596 N -2.49 -0.03 0.06 1.61 1.01 -0.81 -1.09 120.40 118.67 1su4 s VAL 596 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1su4 s VAL 596 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 1su4 s VAL 596 CO 0.00 0.04 -0.08 0.68 0.00 0.00 0.00 175.10 175.74 1su4 s VAL 597 N 0.67 3.51 -0.12 2.92 -7.23 -0.72 -1.62 120.40 117.81 1su4 s VAL 597 Ca -0.05 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1su4 s VAL 597 Cb -0.07 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1su4 s VAL 597 CO -0.03 0.23 -0.11 -0.83 -0.31 0.00 0.00 175.10 174.05 1su4 s GLY 598 N -1.87 0.97 0.26 2.32 0.00 0.30 -1.64 107.32 107.66 1su4 s GLY 598 Ca 0.20 -0.71 0.09 0.00 0.00 0.00 0.00 44.72 44.30 1su4 s GLY 598 CO 0.11 0.58 -0.14 -3.16 0.00 0.00 0.00 173.10 170.50 1su4 s MET 599 N 1.47 1.53 0.22 2.90 0.23 0.16 -1.58 119.30 124.24 1su4 s MET 599 Ca 0.02 -1.72 -0.21 0.00 -1.03 0.00 0.00 55.69 52.76 1su4 s MET 599 Cb -0.13 -1.39 0.04 0.00 -1.53 0.00 0.00 34.83 31.82 1su4 s MET 599 CO -0.08 0.20 0.63 -0.48 -2.03 0.00 0.00 175.02 173.26 1su4 s LEU 600 N -3.43 -0.26 -0.73 0.18 2.34 0.97 -0.23 118.68 117.52 1su4 s LEU 600 Ca 0.27 -0.40 -0.18 0.00 0.06 0.00 0.00 54.13 53.89 1su4 s LEU 600 Cb -0.01 2.53 0.14 0.00 -0.56 0.00 0.00 46.19 48.29 1su4 s LEU 600 CO 0.11 -1.16 0.82 -0.62 -1.06 0.00 0.00 176.35 174.44 1su4 s ASP 601 N -2.86 6.44 0.68 1.48 3.68 -1.26 -0.85 116.67 123.97 1su4 s ASP 601 Ca 0.08 -1.92 -0.14 0.00 2.13 0.00 0.00 52.55 52.70 1su4 s ASP 601 Cb -0.03 -2.30 0.01 0.00 -1.45 0.00 0.00 42.92 39.15 1su4 s ASP 601 CO -0.01 -0.96 1.09 -2.16 0.13 0.00 0.00 175.17 173.26 1su4 s PRO 602 N 2.00 2.79 0.51 4.34 0.04 -1.26 -4.76 135.00 138.66 1su4 s PRO 602 Ca 0.18 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 1su4 s PRO 602 Cb -0.16 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1su4 s PRO 602 CO -0.02 -1.24 1.21 -1.25 0.04 0.00 0.00 177.00 175.74 1su4 s PRO 603 N -4.36 3.45 1.20 0.56 0.04 -1.26 -0.88 135.00 133.75 1su4 s PRO 603 Ca 0.64 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 1su4 s PRO 603 Cb -0.18 -2.26 0.29 0.00 0.04 0.00 0.00 34.50 32.39 1su4 s PRO 603 CO 0.45 -0.83 1.03 1.03 0.04 0.00 0.00 177.00 178.72 1su4 s ARG 604 N -2.90 -1.17 0.20 4.56 1.81 0.18 -4.63 118.95 116.99 1su4 s ARG 604 Ca 0.68 0.50 -0.32 0.00 -1.72 0.00 0.00 55.73 54.88 1su4 s ARG 604 Cb -0.31 -1.55 -0.11 0.00 -0.45 0.00 0.00 34.95 32.53 1su4 s ARG 604 CO 0.37 -3.80 1.65 0.15 -0.68 0.00 0.00 175.30 172.98 1su4 s LYS 605 N -4.79 4.16 0.00 3.54 1.02 -1.26 -2.21 119.74 120.20 1su4 s LYS 605 Ca 0.68 2.50 0.00 0.00 0.02 0.00 0.00 55.97 59.17 1su4 s LYS 605 Cb -0.20 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1su4 s LYS 605 CO 0.61 -0.68 0.00 0.39 -0.92 0.00 0.00 175.35 174.75 1su4 n GLU 606 N 3.86 -0.13 0.10 1.68 1.02 -1.26 -4.65 120.64 121.26 1su4 n GLU 606 Ca 0.15 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1su4 n GLU 606 Cb 0.37 -3.83 -0.06 0.00 -0.02 0.00 0.00 31.44 27.90 1su4 n GLU 606 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1su4 h VAL 607 N 0.00 0.72 -0.59 2.62 2.07 -1.79 0.26 116.25 119.55 1su4 h VAL 607 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1su4 h VAL 607 Cb 0.07 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1su4 h VAL 607 CO 0.00 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.22 1su4 h MET 608 N -0.26 0.74 -0.11 1.57 2.86 -1.80 -0.28 114.93 117.65 1su4 h MET 608 Ca 0.01 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 1su4 h MET 608 Cb 0.26 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1su4 h MET 608 CO -0.04 0.49 -0.62 0.78 1.06 0.00 0.00 176.91 178.57 1su4 h GLY 609 N 0.76 0.68 1.53 8.32 0.00 -1.80 -3.05 103.07 109.50 1su4 h GLY 609 Ca 0.22 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1su4 h GLY 609 CO -0.05 0.87 0.22 1.76 0.00 0.00 0.00 176.54 179.33 1su4 h SER 610 N 0.25 0.21 0.10 0.19 0.02 0.18 -0.38 113.55 114.11 1su4 h SER 610 Ca -0.05 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 1su4 h SER 610 Cb 1.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1su4 h SER 610 CO 0.13 0.14 -0.57 0.40 -1.14 0.00 0.00 176.83 175.79 1su4 h ILE 611 N 0.24 1.33 -0.09 3.27 2.04 -1.03 -0.81 117.51 122.46 1su4 h ILE 611 Ca 0.14 -1.84 -0.16 0.00 1.00 0.00 0.00 64.86 64.00 1su4 h ILE 611 Cb 0.25 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1su4 h ILE 611 CO -0.03 0.56 -0.65 -0.61 0.00 0.00 0.00 178.15 177.43 1su4 h GLN 612 N 0.37 0.35 -0.34 2.37 5.75 -1.13 -2.40 115.11 120.09 1su4 h GLN 612 Ca 0.00 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.24 1su4 h GLN 612 Cb 1.10 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1su4 h GLN 612 CO 0.10 0.88 0.19 1.25 -2.65 0.00 0.00 178.83 178.60 1su4 h LEU 613 N 0.25 0.42 -0.20 -2.39 5.85 -0.83 -0.21 115.31 118.21 1su4 h LEU 613 Ca -0.01 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1su4 h LEU 613 Cb 1.19 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1su4 h LEU 613 CO 0.11 0.39 -0.13 0.00 -0.34 0.00 0.00 178.44 178.46 1su4 h ARG 615 N -0.13 1.26 -0.06 0.00 2.43 -1.12 0.76 114.38 117.52 1su4 h ARG 615 Ca 0.12 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1su4 h ARG 615 Cb 0.30 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1su4 h ARG 615 CO -0.28 0.83 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.35 1su4 h ASP 616 N 1.30 0.09 -0.43 -3.80 3.32 -0.02 -2.68 116.42 114.19 1su4 h ASP 616 Ca 0.37 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1su4 h ASP 616 Cb -0.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1su4 h ASP 616 CO -0.10 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 1su4 n ALA 617 N -2.49 2.44 -1.95 3.45 0.00 0.31 -4.23 120.51 118.03 1su4 n ALA 617 Ca -0.02 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 1su4 n ALA 617 Cb 0.30 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1su4 n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1su4 n GLY 618 N 1.32 0.39 3.49 0.00 0.00 -0.46 -3.30 105.19 106.64 1su4 n GLY 618 Ca 0.18 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1su4 n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1su4 s ILE 619 N -2.63 4.71 0.30 -0.61 1.01 0.08 -4.61 121.20 119.46 1su4 s ILE 619 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 1su4 s ILE 619 Cb 0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 1su4 s ILE 619 CO 0.00 0.26 1.04 -0.60 0.00 0.00 0.00 174.94 175.64 1su4 s ARG 620 N 1.67 4.59 -0.15 2.79 3.52 0.17 -4.02 118.95 127.52 1su4 s ARG 620 Ca 0.06 1.63 -0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1su4 s ARG 620 Cb -0.16 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1su4 s ARG 620 CO 0.07 0.22 -0.13 0.08 -0.81 0.00 0.00 175.30 174.72 1su4 s VAL 621 N -1.31 2.94 -0.14 7.11 1.01 -1.26 -0.41 120.40 128.34 1su4 s VAL 621 Ca 0.47 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1su4 s VAL 621 Cb -0.27 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1su4 s VAL 621 CO 0.35 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 175.15 1su4 s ILE 622 N 0.62 1.77 -0.03 2.22 1.01 0.33 -4.71 121.20 122.42 1su4 s ILE 622 Ca -0.07 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1su4 s ILE 622 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1su4 s ILE 622 CO 0.03 0.49 0.38 -0.32 0.00 0.00 0.00 174.94 175.52 1su4 s MET 623 N 1.06 3.94 -0.21 2.79 -2.45 -0.38 0.47 119.30 124.51 1su4 s MET 623 Ca -0.03 0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.77 1su4 s MET 623 Cb -0.14 -3.25 0.05 0.00 1.25 0.00 0.00 34.83 32.73 1su4 s MET 623 CO -0.05 0.62 -0.10 0.42 1.05 0.00 0.00 175.02 176.96 1su4 s ILE 624 N -0.82 1.74 0.31 10.11 1.01 0.48 -0.20 121.20 133.83 1su4 s ILE 624 Ca 0.23 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1su4 s ILE 624 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 1su4 s ILE 624 CO 0.12 0.12 0.09 0.28 0.00 0.00 0.00 174.94 175.55 1su4 s THR 625 N 1.34 0.80 -1.10 2.92 -1.32 -0.17 -1.99 115.64 116.11 1su4 s THR 625 Ca -0.03 -2.00 0.21 0.00 -1.21 0.00 0.00 61.69 58.66 1su4 s THR 625 Cb -0.17 -2.65 -0.20 0.00 -1.51 0.00 0.00 72.50 67.97 1su4 s THR 625 CO -0.08 0.00 0.93 0.61 -2.21 0.00 0.00 174.62 173.88 1su4 n GLY 626 N -0.62 -0.91 3.62 6.08 0.00 -1.26 -1.59 105.19 110.51 1su4 n GLY 626 Ca -0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1su4 n GLY 626 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su4 s ASP 627 N -2.95 2.41 0.65 1.61 1.11 -1.26 -4.20 116.67 114.04 1su4 s ASP 627 Ca 0.09 1.70 -0.13 0.00 0.18 0.00 0.00 52.55 54.40 1su4 s ASP 627 Cb 0.16 -2.34 -0.01 0.00 1.07 0.00 0.00 42.92 41.81 1su4 s ASP 627 CO 0.84 -3.34 1.05 0.54 1.18 0.00 0.00 175.17 175.44 1su4 s ASN 628 N -2.88 5.59 0.17 0.27 2.20 -1.26 -3.45 114.94 115.58 1su4 s ASN 628 Ca 0.66 1.67 -0.24 0.00 -0.94 0.00 0.00 52.86 54.01 1su4 s ASN 628 Cb -0.22 -2.51 0.06 0.00 -2.00 0.00 0.00 41.25 36.58 1su4 s ASN 628 CO 0.60 -1.30 1.58 0.50 -2.94 0.00 0.00 177.10 175.54 1su4 h LYS 629 N -0.26 -0.23 -0.97 3.55 3.64 -1.94 0.14 116.57 120.50 1su4 h LYS 629 Ca -0.45 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1su4 h LYS 629 Cb 1.21 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 1su4 h LYS 629 CO 0.57 -0.15 0.61 0.78 -2.27 0.00 0.00 179.45 179.00 1su4 h GLY 630 N -0.23 1.35 1.24 5.01 0.00 -2.00 -0.25 103.07 108.19 1su4 h GLY 630 Ca 0.18 -0.28 -0.31 0.00 0.00 0.00 0.00 47.33 46.93 1su4 h GLY 630 CO -0.64 -0.04 -1.53 -0.91 0.00 0.00 0.00 176.54 173.42 1su4 h THR 631 N 0.59 1.16 -0.76 4.70 1.35 -1.65 -3.06 112.91 115.24 1su4 h THR 631 Ca 0.53 -2.79 0.08 0.00 -0.55 0.00 0.00 66.41 63.69 1su4 h THR 631 Cb 1.06 2.77 -0.07 0.00 -1.73 0.00 0.00 68.15 70.18 1su4 h THR 631 CO -0.29 0.82 0.43 0.00 -0.25 0.00 0.00 175.52 176.23 1su4 h ALA 632 N 0.47 1.07 -0.52 6.62 0.00 0.30 0.24 119.26 127.43 1su4 h ALA 632 Ca -0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1su4 h ALA 632 Cb 2.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1su4 h ALA 632 CO 0.17 0.07 0.30 0.82 0.00 0.00 0.00 179.25 180.60 1su4 h ILE 633 N 0.74 1.17 -0.08 0.00 2.04 -1.16 -0.95 117.51 119.27 1su4 h ILE 633 Ca 0.36 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1su4 h ILE 633 Cb 0.31 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1su4 h ILE 633 CO -0.23 0.18 -0.18 0.00 0.00 0.00 0.00 178.15 177.92 1su4 h ALA 634 N 1.13 -0.16 -0.67 1.87 0.00 -0.78 0.01 119.26 120.66 1su4 h ALA 634 Ca 0.18 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1su4 h ALA 634 Cb 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1su4 h ALA 634 CO -0.03 -0.65 0.45 0.82 0.00 0.00 0.00 179.25 179.84 1su4 h ILE 635 N -0.26 0.84 -0.02 0.00 2.04 -0.15 0.12 117.51 120.08 1su4 h ILE 635 Ca 0.08 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 1su4 h ILE 635 Cb 0.37 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1su4 h ILE 635 CO -0.23 0.07 -0.81 0.00 0.00 0.00 0.00 178.15 177.18 1su4 h ARG 637 N 0.16 0.82 0.03 0.00 3.08 0.02 0.11 114.38 118.61 1su4 h ARG 637 Ca -0.04 -0.58 0.02 0.00 0.07 0.00 0.00 59.98 59.45 1su4 h ARG 637 Cb 1.41 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 1su4 h ARG 637 CO 0.13 1.20 -0.14 -0.09 -1.07 0.00 0.00 179.97 180.00 1su4 h ARG 638 N 0.60 -0.23 -0.00 0.04 2.43 -0.69 -2.98 114.38 113.54 1su4 h ARG 638 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1su4 h ARG 638 Cb 1.25 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1su4 h ARG 638 CO 0.14 -0.16 -0.12 0.44 -1.51 0.00 0.00 179.97 178.76 1su4 n ILE 639 N -5.27 0.00 0.00 1.20 -5.35 -0.75 -4.93 119.36 104.26 1su4 n ILE 639 Ca -0.06 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1su4 n ILE 639 Cb 0.19 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1su4 n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su4 n GLY 640 N 1.32 0.58 0.32 3.28 0.00 -1.02 -4.55 105.19 105.12 1su4 n GLY 640 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1su4 n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1su4 h ILE 641 N 0.00 1.26 -3.97 -0.61 2.04 -1.12 -3.42 117.51 111.69 1su4 h ILE 641 Ca 0.00 -1.03 -0.69 0.00 1.00 0.00 0.00 64.86 64.15 1su4 h ILE 641 Cb 0.00 0.60 -0.22 0.00 -0.74 0.00 0.00 36.82 36.46 1su4 h ILE 641 CO 0.00 0.39 -0.79 -0.36 0.00 0.00 0.00 178.15 177.39 1su4 s PHE 642 N -5.23 2.61 0.92 1.37 2.99 -0.25 -4.98 117.98 115.41 1su4 s PHE 642 Ca -0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 56.93 56.47 1su4 s PHE 642 Cb 0.14 -1.51 0.14 0.00 0.00 0.00 0.00 43.02 41.80 1su4 s PHE 642 CO 0.85 0.24 1.09 0.20 -0.00 0.00 0.00 175.22 177.60 1su4 s GLY 643 N -1.26 1.62 0.13 4.36 0.00 -1.26 -4.13 107.32 106.78 1su4 s GLY 643 Ca 0.14 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.69 1su4 s GLY 643 CO 0.04 0.53 1.72 -2.09 0.00 0.00 0.00 173.10 173.30 1su4 h GLU 644 N -1.69 0.07 -3.33 2.90 4.81 -1.97 -3.31 114.58 112.05 1su4 h GLU 644 Ca -0.50 -0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.09 1su4 h GLU 644 Cb 1.28 -0.02 -0.41 0.00 0.63 0.00 0.00 28.75 30.24 1su4 h GLU 644 CO 0.52 0.04 -0.63 -0.80 -0.73 0.00 0.00 179.01 177.42 1su4 s ASN 645 N -5.24 4.33 -0.08 1.04 0.01 -1.26 -4.94 114.94 108.80 1su4 s ASN 645 Ca -0.13 -3.09 -0.04 0.00 -0.71 0.00 0.00 52.86 48.89 1su4 s ASN 645 Cb 0.10 -1.61 0.04 0.00 0.41 0.00 0.00 41.25 40.19 1su4 s ASN 645 CO 0.69 -0.22 0.18 -0.70 -1.51 0.00 0.00 177.10 175.54 1su4 s GLU 646 N -0.39 0.12 -0.06 -0.60 2.12 -1.25 -5.12 118.70 113.53 1su4 s GLU 646 Ca 0.18 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 1su4 s GLU 646 Cb -0.24 -0.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 1su4 s GLU 646 CO -0.02 -0.17 1.56 -2.00 -0.54 0.00 0.00 175.26 174.09 1su4 s GLU 647 N 1.25 4.20 -0.05 4.30 2.56 -1.26 -4.84 118.70 124.86 1su4 s GLU 647 Ca -0.09 2.08 0.09 0.00 0.00 0.00 0.00 54.97 57.05 1su4 s GLU 647 Cb -0.11 -3.89 0.15 0.00 2.00 0.00 0.00 34.13 32.28 1su4 s GLU 647 CO -0.07 -0.79 1.07 1.33 -0.56 0.00 0.00 175.26 176.25 1su4 n VAL 648 N 5.35 0.68 1.09 3.70 0.24 -1.26 -4.77 118.33 123.36 1su4 n VAL 648 Ca 0.16 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1su4 n VAL 648 Cb 0.43 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1su4 n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su4 n ALA 649 N -0.44 2.45 -0.08 2.33 0.00 -1.26 -2.35 120.51 121.15 1su4 n ALA 649 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1su4 n ALA 649 Cb 0.73 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1su4 n ALA 649 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1su4 n ASP 650 N -0.05 0.03 -0.02 0.00 2.03 -1.26 -4.80 116.55 112.49 1su4 n ASP 650 Ca 0.00 -0.25 0.02 0.00 0.52 0.00 0.00 54.79 55.08 1su4 n ASP 650 Cb 0.21 0.26 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1su4 n ASP 650 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1su4 n ARG 651 N -0.26 2.73 -4.39 -0.67 1.74 -0.99 -4.75 116.66 110.06 1su4 n ARG 651 Ca 0.00 -1.68 -0.20 0.00 -0.77 0.00 0.00 57.85 55.20 1su4 n ARG 651 Cb 0.02 -1.08 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1su4 n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1su4 s ALA 652 N -1.30 0.86 -0.06 7.54 0.00 -1.17 0.09 121.76 127.71 1su4 s ALA 652 Ca 0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1su4 s ALA 652 Cb 0.05 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1su4 s ALA 652 CO 0.01 0.14 0.21 0.71 0.00 0.00 0.00 175.76 176.83 1su4 s TYR 653 N 0.16 -0.19 0.32 0.00 2.02 -0.23 -4.93 117.35 114.50 1su4 s TYR 653 Ca -0.03 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 57.09 1su4 s TYR 653 Cb -0.08 0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1su4 s TYR 653 CO 0.00 -0.16 0.57 0.95 -1.57 0.00 0.00 175.55 175.35 1su4 s THR 654 N -0.20 5.04 0.52 -0.71 -4.23 -1.26 -1.36 115.64 113.44 1su4 s THR 654 Ca -0.03 -0.06 0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1su4 s THR 654 Cb -0.03 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.37 1su4 s THR 654 CO 0.01 -0.42 2.06 1.23 -0.54 0.00 0.00 174.62 176.96 1su4 h GLY 655 N 1.33 0.03 1.01 3.99 0.00 -0.64 -0.45 103.07 108.35 1su4 h GLY 655 Ca -0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1su4 h GLY 655 CO 0.65 0.01 -0.45 -0.09 0.00 0.00 0.00 176.54 176.65 1su4 h ARG 656 N 0.03 -1.21 -0.83 4.80 9.65 -1.87 -0.48 114.38 124.47 1su4 h ARG 656 Ca 0.14 0.08 0.09 0.00 -1.10 0.00 0.00 59.98 59.19 1su4 h ARG 656 Cb 0.54 0.27 -0.07 0.00 -1.39 0.00 0.00 29.97 29.32 1su4 h ARG 656 CO -0.01 -0.81 0.48 0.93 2.80 0.00 0.00 179.97 183.37 1su4 h GLU 657 N -1.27 0.79 -0.66 0.20 5.08 -1.76 -2.31 114.58 114.66 1su4 h GLU 657 Ca -0.13 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1su4 h GLU 657 Cb 0.96 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1su4 h GLU 657 CO 0.21 0.52 0.17 0.35 -1.00 0.00 0.00 179.01 179.27 1su4 h PHE 658 N 0.82 1.10 0.00 4.33 3.04 -0.98 -2.51 116.94 122.74 1su4 h PHE 658 Ca 0.39 -0.13 -0.04 0.00 3.98 0.00 0.00 57.97 62.18 1su4 h PHE 658 Cb 0.33 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1su4 h PHE 658 CO -0.06 0.90 -0.18 -0.44 -2.02 0.00 0.00 178.31 176.52 1su4 h ASP 659 N 0.98 0.00 0.90 0.41 3.45 -0.65 -2.57 116.42 118.95 1su4 h ASP 659 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1su4 h ASP 659 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1su4 h ASP 659 CO -0.00 0.18 0.00 -0.67 -1.57 0.00 0.00 179.24 177.18 1su4 n ASP 660 N -3.43 0.00 -4.84 6.45 2.03 -0.91 -4.82 116.55 111.02 1su4 n ASP 660 Ca -0.00 0.46 -0.36 0.00 0.52 0.00 0.00 54.79 55.41 1su4 n ASP 660 Cb 0.37 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.22 1su4 n ASP 660 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1su4 s LEU 661 N -2.97 4.37 0.67 -2.67 1.43 -0.97 -5.08 118.68 113.45 1su4 s LEU 661 Ca 0.14 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 1su4 s LEU 661 Cb 0.18 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1su4 s LEU 661 CO 0.49 0.15 1.05 -2.16 0.23 0.00 0.00 176.35 176.11 1su4 s PRO 662 N -1.79 3.21 0.23 1.29 0.04 -1.26 -4.64 135.00 132.08 1su4 s PRO 662 Ca 0.35 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 1su4 s PRO 662 Cb -0.15 -2.03 0.37 0.00 0.04 0.00 0.00 34.50 32.72 1su4 s PRO 662 CO 0.18 -0.87 1.29 1.28 0.04 0.00 0.00 177.00 178.92 1su4 n LEU 663 N -2.96 -0.31 0.18 -3.56 4.32 -1.26 -0.50 117.00 112.90 1su4 n LEU 663 Ca 0.07 1.42 0.03 0.00 -0.02 0.00 0.00 56.01 57.50 1su4 n LEU 663 Cb 0.54 -0.42 0.32 0.00 -1.62 0.00 0.00 43.42 42.24 1su4 n LEU 663 CO 0.57 -1.36 0.66 0.00 -1.22 0.00 0.00 177.39 176.04 1su4 h ALA 664 N 1.62 1.19 0.04 -1.18 0.00 -1.99 -2.31 119.26 116.62 1su4 h ALA 664 Ca 0.39 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su4 h ALA 664 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1su4 h ALA 664 CO -0.85 0.54 -0.02 0.93 0.00 0.00 0.00 179.25 179.85 1su4 h GLU 665 N 0.00 -0.05 -0.67 0.00 5.08 -1.15 -2.17 114.58 115.62 1su4 h GLU 665 Ca -0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1su4 h GLU 665 Cb 0.81 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.95 1su4 h GLU 665 CO 0.06 0.60 -0.09 1.96 -1.00 0.00 0.00 179.01 180.54 1su4 h GLN 666 N -0.81 0.04 -0.91 2.33 4.20 -1.19 0.71 115.11 119.48 1su4 h GLN 666 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1su4 h GLN 666 Cb 0.68 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1su4 h GLN 666 CO 0.01 0.03 0.57 -0.09 -0.67 0.00 0.00 178.83 178.68 1su4 h ARG 667 N 0.05 1.22 -0.35 1.46 2.43 -1.48 -1.51 114.38 116.21 1su4 h ARG 667 Ca 0.34 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1su4 h ARG 667 Cb 0.55 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1su4 h ARG 667 CO -0.64 0.84 -0.07 1.49 -1.51 0.00 0.00 179.97 180.07 1su4 h GLU 668 N 1.24 0.58 -0.65 0.20 4.57 0.53 -2.32 114.58 118.73 1su4 h GLU 668 Ca 0.33 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1su4 h GLU 668 Cb -0.08 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1su4 h GLU 668 CO -0.06 0.66 0.16 0.00 -1.18 0.00 0.00 179.01 178.58 1su4 h ALA 669 N 1.39 1.07 0.00 2.92 0.00 0.12 -2.94 119.26 121.81 1su4 h ALA 669 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1su4 h ALA 669 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1su4 h ALA 669 CO 0.02 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 1su4 h ARG 671 N 0.00 0.00 0.00 0.00 0.11 -1.30 -3.32 114.38 109.86 1su4 h ARG 671 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1su4 h ARG 671 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 1su4 h ARG 671 CO 0.04 0.07 -0.08 2.89 0.10 0.00 0.00 179.97 182.99 1su4 n ARG 672 N -3.16 5.84 -1.77 0.08 1.85 -1.08 -5.08 116.66 113.33 1su4 n ARG 672 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.51 1su4 n ARG 672 Cb 0.41 -0.50 0.06 0.00 -1.05 0.00 0.00 32.46 31.38 1su4 n ARG 672 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1su4 s ALA 673 N -0.99 2.38 0.00 2.89 0.00 0.25 -4.74 121.76 121.55 1su4 s ALA 673 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1su4 s ALA 673 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1su4 s ALA 673 CO 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 175.76 174.33 1su4 s PHE 676 N 1.56 2.31 0.12 0.00 0.40 0.73 -1.07 117.98 122.02 1su4 s PHE 676 Ca -0.09 -1.33 0.10 0.00 -0.60 0.00 0.00 56.93 55.00 1su4 s PHE 676 Cb -0.08 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1su4 s PHE 676 CO -0.15 -0.70 -0.22 0.00 0.70 0.00 0.00 175.22 174.84 1su4 s ALA 677 N 1.44 2.54 -0.93 5.36 0.00 -0.46 -1.00 121.76 128.72 1su4 s ALA 677 Ca 0.04 -1.41 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1su4 s ALA 677 Cb -0.13 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1su4 s ALA 677 CO -0.11 0.57 0.66 0.54 0.00 0.00 0.00 175.76 177.42 1su4 n ARG 678 N 0.84 -1.24 -4.32 0.00 5.12 -0.62 -1.89 116.66 114.55 1su4 n ARG 678 Ca -0.17 0.71 -0.25 0.00 -1.93 0.00 0.00 57.85 56.22 1su4 n ARG 678 Cb 0.53 -3.11 -0.08 0.00 -1.16 0.00 0.00 32.46 28.63 1su4 n ARG 678 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1su4 s VAL 679 N -3.15 3.21 0.27 1.55 0.11 -1.26 -1.83 120.40 119.30 1su4 s VAL 679 Ca 0.15 -1.89 -0.09 0.00 -2.93 0.00 0.00 61.98 57.22 1su4 s VAL 679 Cb -0.07 -2.66 -0.07 0.00 -1.53 0.00 0.00 36.38 32.05 1su4 s VAL 679 CO 0.88 -0.28 0.60 -1.61 -3.33 0.00 0.00 175.10 171.36 1su4 s GLU 680 N -3.33 3.79 0.50 1.54 0.41 -1.26 -4.98 118.70 115.38 1su4 s GLU 680 Ca 0.29 0.29 0.17 0.00 -0.41 0.00 0.00 54.97 55.31 1su4 s GLU 680 Cb -0.07 -2.59 1.24 0.00 -1.78 0.00 0.00 34.13 30.92 1su4 s GLU 680 CO 0.17 0.24 2.08 -1.00 -0.49 0.00 0.00 175.26 176.27 1su4 h PRO 681 N 2.20 0.09 0.00 0.39 0.13 -2.00 0.62 132.00 133.44 1su4 h PRO 681 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1su4 h PRO 681 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1su4 h PRO 681 CO 0.68 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 179.17 1su4 h SER 682 N 0.10 0.00 0.50 1.44 4.64 -1.93 -2.95 113.55 115.34 1su4 h SER 682 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1su4 h SER 682 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1su4 h SER 682 CO -0.01 0.00 -0.65 0.45 -0.87 0.00 0.00 176.83 175.75 1su4 h HIS 683 N 0.00 0.18 -0.86 4.77 3.86 -1.25 -3.21 115.15 118.63 1su4 h HIS 683 Ca 0.00 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1su4 h HIS 683 Cb 0.32 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 1su4 h HIS 683 CO 0.00 0.74 0.57 0.87 0.86 0.00 0.00 177.93 180.97 1su4 h LYS 684 N 0.10 1.04 -0.32 2.45 1.57 -1.64 -0.20 116.57 119.58 1su4 h LYS 684 Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1su4 h LYS 684 Cb 1.16 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1su4 h LYS 684 CO 0.09 0.69 -0.01 0.77 -0.57 0.00 0.00 179.45 180.42 1su4 h SER 685 N 1.08 0.56 -0.75 0.86 0.02 -1.74 -1.50 113.55 112.08 1su4 h SER 685 Ca 0.34 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1su4 h SER 685 Cb 0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1su4 h SER 685 CO -0.10 0.74 0.38 0.11 -1.14 0.00 0.00 176.83 176.82 1su4 h LYS 686 N 0.37 1.07 -0.12 3.45 1.57 -1.46 0.23 116.57 121.68 1su4 h LYS 686 Ca 0.09 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1su4 h LYS 686 Cb 0.46 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1su4 h LYS 686 CO 0.02 0.82 0.08 0.82 -0.57 0.00 0.00 179.45 180.62 1su4 h ILE 687 N 1.05 1.03 -0.41 1.86 2.04 -0.92 0.13 117.51 122.29 1su4 h ILE 687 Ca 0.26 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1su4 h ILE 687 Cb 0.09 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1su4 h ILE 687 CO -0.04 0.03 0.25 0.58 0.00 0.00 0.00 178.15 178.98 1su4 h VAL 688 N 0.16 1.07 0.04 1.67 2.07 -0.92 0.11 116.25 120.45 1su4 h VAL 688 Ca 0.04 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1su4 h VAL 688 Cb -0.02 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1su4 h VAL 688 CO -0.01 0.09 -0.21 -0.08 0.02 0.00 0.00 177.57 177.39 1su4 h GLU 689 N 0.52 -0.34 -0.73 1.57 4.57 -0.48 0.17 114.58 119.86 1su4 h GLU 689 Ca 0.16 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1su4 h GLU 689 Cb -0.02 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1su4 h GLU 689 CO -0.06 -0.23 0.38 1.88 -1.18 0.00 0.00 179.01 179.81 1su4 h TYR 690 N -0.35 1.01 -0.09 0.92 0.05 -0.49 -0.03 116.97 117.99 1su4 h TYR 690 Ca 0.05 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1su4 h TYR 690 Cb 0.41 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1su4 h TYR 690 CO -0.23 0.72 0.03 -0.07 -1.05 0.00 0.00 178.16 177.55 1su4 h LEU 691 N 1.03 0.13 -1.74 3.88 4.07 -0.44 -2.49 115.31 119.74 1su4 h LEU 691 Ca 0.26 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1su4 h LEU 691 Cb 0.06 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1su4 h LEU 691 CO -0.04 0.30 0.03 1.56 -1.08 0.00 0.00 178.44 179.21 1su4 h GLN 692 N -0.05 0.20 0.00 1.13 4.20 -0.34 -0.77 115.11 119.47 1su4 h GLN 692 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1su4 h GLN 692 Cb 0.22 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1su4 h GLN 692 CO -0.00 0.19 0.00 -1.13 -0.67 0.00 0.00 178.83 177.22 1su4 n SER 693 N -4.45 0.00 0.00 1.46 3.41 -0.05 -0.28 113.62 113.71 1su4 n SER 693 Ca -0.01 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1su4 n SER 693 Cb 0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1su4 n SER 693 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1su4 n TYR 694 N -1.01 0.00 -1.56 7.33 4.01 -0.31 -4.98 117.16 120.63 1su4 n TYR 694 Ca 0.09 -0.46 -0.09 0.00 -0.16 0.00 0.00 57.90 57.28 1su4 n TYR 694 Cb 0.04 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1su4 n TYR 694 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1su4 n ASP 695 N -0.46 -3.83 -4.75 7.72 10.43 0.61 -5.01 116.55 121.28 1su4 n ASP 695 Ca 0.00 0.15 -0.40 0.00 2.57 0.00 0.00 54.79 57.11 1su4 n ASP 695 Cb 0.25 -2.45 -0.05 0.00 1.84 0.00 0.00 41.12 40.70 1su4 n ASP 695 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1su4 s GLU 696 N -3.33 4.69 -0.42 -1.24 2.56 -1.12 -5.00 118.70 114.84 1su4 s GLU 696 Ca 0.00 1.35 -0.22 0.00 0.00 0.00 0.00 54.97 56.10 1su4 s GLU 696 Cb 0.00 -3.33 0.02 0.00 2.00 0.00 0.00 34.13 32.82 1su4 s GLU 696 CO 0.00 0.37 0.73 0.42 -0.56 0.00 0.00 175.26 176.22 1su4 s ILE 697 N -0.54 4.74 -0.20 -3.70 -1.09 -1.26 -4.38 121.20 114.77 1su4 s ILE 697 Ca 0.42 0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 59.17 1su4 s ILE 697 Cb -0.24 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.35 1su4 s ILE 697 CO 0.29 -0.59 0.18 -0.89 -1.23 0.00 0.00 174.94 172.69 1su4 s THR 698 N 3.07 5.37 -0.19 2.92 2.01 -1.26 -1.36 115.64 126.21 1su4 s THR 698 Ca 0.28 0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1su4 s THR 698 Cb -0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1su4 s THR 698 CO 0.20 0.41 0.04 0.00 -0.69 0.00 0.00 174.62 174.58 1su4 s ALA 699 N 0.51 3.28 -0.04 7.40 0.00 0.45 -0.79 121.76 132.57 1su4 s ALA 699 Ca 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1su4 s ALA 699 Cb -0.12 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1su4 s ALA 699 CO 0.00 0.08 -0.09 1.41 0.00 0.00 0.00 175.76 177.16 1su4 s MET 700 N 0.57 1.16 0.27 0.00 0.00 -0.17 -0.43 119.30 120.69 1su4 s MET 700 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 55.69 55.36 1su4 s MET 700 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 34.83 33.60 1su4 s MET 700 CO 0.02 0.05 0.53 0.95 0.00 0.00 0.00 175.02 176.57 1su4 s THR 701 N 0.47 5.04 0.14 10.11 -4.23 -1.05 0.14 115.64 126.26 1su4 s THR 701 Ca -0.08 0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.24 1su4 s THR 701 Cb -0.12 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.07 1su4 s THR 701 CO 0.01 -0.27 0.84 -0.83 -0.54 0.00 0.00 174.62 173.84 1su4 s GLY 702 N -3.05 -0.32 0.00 3.99 0.00 0.80 -4.82 107.32 103.93 1su4 s GLY 702 Ca 0.44 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1su4 s GLY 702 CO 0.29 0.08 0.00 2.09 0.00 0.00 0.00 173.10 175.56 1su4 n ASP 703 N -0.40 0.00 -4.30 1.64 5.68 -1.26 -1.56 116.55 116.35 1su4 n ASP 703 Ca -0.08 -0.82 -0.18 0.00 -0.50 0.00 0.00 54.79 53.22 1su4 n ASP 703 Cb 0.61 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.49 1su4 n ASP 703 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1su4 s GLY 704 N 0.00 1.84 0.38 6.12 0.00 -1.26 -1.35 107.32 113.05 1su4 s GLY 704 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 44.72 42.99 1su4 s GLY 704 CO 0.00 -1.63 1.83 -0.39 0.00 0.00 0.00 173.10 172.91 1su4 h VAL 705 N 2.31 0.70 0.00 1.40 -1.51 -1.94 0.35 116.25 117.55 1su4 h VAL 705 Ca -0.38 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1su4 h VAL 705 Cb 1.25 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1su4 h VAL 705 CO 0.61 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 177.64 1su4 n ASN 706 N -4.59 0.00 -0.00 4.19 3.02 -1.26 -2.50 115.26 114.11 1su4 n ASN 706 Ca 0.21 0.32 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 1su4 n ASN 706 Cb 0.64 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 1su4 n ASN 706 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1su4 n ASP 707 N -1.40 0.80 -0.24 6.41 8.00 0.12 -4.61 116.55 125.64 1su4 n ASP 707 Ca 0.04 -0.46 0.04 0.00 0.71 0.00 0.00 54.79 55.12 1su4 n ASP 707 Cb 0.12 1.42 0.16 0.00 -0.02 0.00 0.00 41.12 42.81 1su4 n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1su4 h ALA 708 N 2.12 0.92 -0.26 2.24 0.00 -1.41 -0.79 119.26 122.08 1su4 h ALA 708 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1su4 h ALA 708 Cb 0.63 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1su4 h ALA 708 CO 0.00 -0.28 0.05 -1.35 0.00 0.00 0.00 179.25 177.67 1su4 h PRO 709 N 0.33 0.15 -0.43 0.00 0.11 -1.81 -0.24 132.00 130.10 1su4 h PRO 709 Ca 0.38 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 1su4 h PRO 709 Cb 0.60 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1su4 h PRO 709 CO -0.44 0.10 -0.14 0.00 -0.21 0.00 0.00 178.00 177.31 1su4 h ALA 710 N 1.19 0.94 -0.00 -0.75 0.00 -1.74 0.10 119.26 118.99 1su4 h ALA 710 Ca 0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1su4 h ALA 710 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1su4 h ALA 710 CO -0.15 0.62 -0.50 -0.07 0.00 0.00 0.00 179.25 179.14 1su4 h LEU 711 N 0.71 0.01 0.18 0.00 3.38 -0.89 -0.93 115.31 117.77 1su4 h LEU 711 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1su4 h LEU 711 Cb 0.64 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1su4 h LEU 711 CO 0.04 0.51 -0.09 0.11 0.09 0.00 0.00 178.44 179.10 1su4 h LYS 712 N 0.01 -0.24 -0.42 1.13 1.57 -0.60 -3.30 116.57 114.72 1su4 h LYS 712 Ca -0.00 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1su4 h LYS 712 Cb 0.89 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.17 1su4 h LYS 712 CO 0.07 0.17 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.78 1su4 h LYS 713 N -0.83 -0.03 -6.79 3.15 3.64 -0.89 -3.43 116.57 111.40 1su4 h LYS 713 Ca -0.03 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.79 1su4 h LYS 713 Cb 0.52 0.01 0.14 0.00 -0.41 0.00 0.00 32.23 32.49 1su4 h LYS 713 CO 0.04 -0.02 0.25 0.00 -2.27 0.00 0.00 179.45 177.45 1su4 n ALA 714 N -2.77 0.52 -0.09 5.00 0.00 -0.36 -4.91 120.51 117.91 1su4 n ALA 714 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1su4 n ALA 714 Cb 0.24 -2.15 0.20 0.00 0.00 0.00 0.00 19.45 17.74 1su4 n ALA 714 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1su4 h GLU 715 N 1.20 0.73 -3.51 0.00 3.07 -1.70 -3.35 114.58 111.02 1su4 h GLU 715 Ca -0.47 -0.18 -0.62 0.00 -0.50 0.00 0.00 59.36 57.59 1su4 h GLU 715 Cb 1.34 -0.10 -0.40 0.00 -0.84 0.00 0.00 28.75 28.75 1su4 h GLU 715 CO 0.55 0.73 -0.71 0.42 -1.40 0.00 0.00 179.01 178.60 1su4 s ILE 716 N -5.02 1.73 -0.07 3.13 -1.09 0.03 -4.89 121.20 115.03 1su4 s ILE 716 Ca -0.09 -2.46 -0.28 0.00 -2.23 0.00 0.00 60.65 55.58 1su4 s ILE 716 Cb 0.15 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1su4 s ILE 716 CO 0.80 -0.77 0.94 -0.83 -1.23 0.00 0.00 174.94 173.84 1su4 s GLY 717 N 0.56 2.58 -0.24 6.18 0.00 -1.25 -1.00 107.32 114.16 1su4 s GLY 717 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1su4 s GLY 717 CO -0.06 1.70 -0.11 -0.42 0.00 0.00 0.00 173.10 174.21 1su4 s ILE 718 N 1.47 2.49 -0.04 0.90 1.01 0.36 -0.93 121.20 126.47 1su4 s ILE 718 Ca 0.47 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1su4 s ILE 718 Cb -0.19 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1su4 s ILE 718 CO 0.21 0.21 0.15 0.00 0.00 0.00 0.00 174.94 175.52 1su4 s ALA 719 N 1.25 3.87 0.11 9.38 0.00 -0.41 -0.14 121.76 135.82 1su4 s ALA 719 Ca -0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1su4 s ALA 719 Cb -0.17 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1su4 s ALA 719 CO -0.07 0.70 1.22 -1.64 0.00 0.00 0.00 175.76 175.98 1su4 s MET 720 N -1.64 4.44 0.54 0.00 1.00 -0.60 -0.96 119.30 122.08 1su4 s MET 720 Ca 0.23 1.84 0.26 0.00 0.00 0.00 0.00 55.69 58.03 1su4 s MET 720 Cb -0.12 -3.30 1.43 0.00 0.00 0.00 0.00 34.83 32.84 1su4 s MET 720 CO 0.14 -0.22 1.98 0.78 0.00 0.00 0.00 175.02 177.70 1su4 h GLY 721 N 6.25 0.00 -1.16 -0.03 0.00 -0.85 0.67 103.07 107.96 1su4 h GLY 721 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1su4 h GLY 721 CO 0.79 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.19 1su4 n SER 722 N -4.29 2.13 -2.67 0.19 3.41 -1.26 -4.94 113.62 106.19 1su4 n SER 722 Ca 0.10 -1.75 -0.07 0.00 -0.26 0.00 0.00 58.87 56.89 1su4 n SER 722 Cb 0.64 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1su4 n SER 722 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1su4 n GLY 723 N 1.24 0.32 3.75 5.00 0.00 0.23 -5.06 105.19 110.67 1su4 n GLY 723 Ca 0.17 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 1su4 n GLY 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1su4 s THR 724 N -0.92 2.98 0.17 2.61 -4.23 -0.46 -4.95 115.64 110.84 1su4 s THR 724 Ca 0.19 0.44 0.18 0.00 -1.18 0.00 0.00 61.69 61.32 1su4 s THR 724 Cb -0.01 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 71.01 1su4 s THR 724 CO 0.13 -0.30 1.72 0.00 -0.54 0.00 0.00 174.62 175.63 1su4 h ALA 725 N -0.25 0.99 -1.00 3.99 0.00 -1.09 -2.96 119.26 118.93 1su4 h ALA 725 Ca -0.46 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.10 1su4 h ALA 725 Cb 1.26 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1su4 h ALA 725 CO 0.52 0.49 0.66 -0.24 0.00 0.00 0.00 179.25 180.69 1su4 h VAL 726 N 0.00 1.24 -0.04 0.00 3.04 -1.72 -0.92 116.25 117.86 1su4 h VAL 726 Ca -0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1su4 h VAL 726 Cb 0.92 -0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 29.98 1su4 h VAL 726 CO 0.05 0.25 -0.03 0.00 -1.01 0.00 0.00 177.57 176.83 1su4 h ALA 727 N 1.38 0.06 -0.97 3.17 0.00 -1.77 -3.10 119.26 118.04 1su4 h ALA 727 Ca 0.37 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.20 1su4 h ALA 727 Cb -0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 1su4 h ALA 727 CO -0.09 -0.19 0.58 0.87 0.00 0.00 0.00 179.25 180.43 1su4 h LYS 728 N -0.33 0.79 -0.76 0.00 1.57 -1.33 -1.13 116.57 115.37 1su4 h LYS 728 Ca 0.01 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1su4 h LYS 728 Cb 0.49 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1su4 h LYS 728 CO 0.01 0.52 0.30 1.15 -0.57 0.00 0.00 179.45 180.86 1su4 h THR 729 N 0.81 1.26 0.00 -0.16 2.02 -1.16 -2.54 112.91 113.13 1su4 h THR 729 Ca 0.53 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1su4 h THR 729 Cb 0.71 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1su4 h THR 729 CO -0.34 0.33 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1su4 n ALA 730 N -2.42 2.16 -2.38 6.16 0.00 -0.44 -4.87 120.51 118.72 1su4 n ALA 730 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 1su4 n ALA 730 Cb 0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1su4 n ALA 730 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1su4 s SER 731 N -0.83 2.13 0.08 0.00 1.04 -0.96 -3.41 113.70 111.74 1su4 s SER 731 Ca 0.00 -1.26 0.21 0.00 0.48 0.00 0.00 55.95 55.37 1su4 s SER 731 Cb 0.00 -0.04 -0.15 0.00 0.10 0.00 0.00 66.02 65.93 1su4 s SER 731 CO 0.00 -0.52 0.76 -0.62 0.98 0.00 0.00 173.24 173.84 1su4 n GLU 732 N -0.53 0.63 -3.96 4.02 4.71 -0.11 -4.92 120.64 120.49 1su4 n GLU 732 Ca -0.04 0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.05 1su4 n GLU 732 Cb 0.65 -1.71 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 1su4 n GLU 732 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1su4 s MET 733 N -3.27 0.53 -0.07 3.49 1.75 -0.76 -4.04 119.30 116.93 1su4 s MET 733 Ca -0.04 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1su4 s MET 733 Cb 0.11 0.20 0.02 0.00 2.84 0.00 0.00 34.83 37.99 1su4 s MET 733 CO 0.83 -0.12 -0.10 0.08 -0.65 0.00 0.00 175.02 175.06 1su4 s VAL 734 N -2.50 1.03 -0.75 10.11 1.01 -0.69 -1.29 120.40 127.31 1su4 s VAL 734 Ca -0.06 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1su4 s VAL 734 Cb -0.02 -0.97 0.11 0.00 0.00 0.00 0.00 36.38 35.50 1su4 s VAL 734 CO -0.04 0.34 0.96 -0.76 0.00 0.00 0.00 175.10 175.60 1su4 s LEU 735 N 0.83 4.94 0.60 3.92 1.43 -0.14 -1.31 118.68 128.95 1su4 s LEU 735 Ca -0.12 -1.54 0.29 0.00 -1.03 0.00 0.00 54.13 51.74 1su4 s LEU 735 Cb -0.15 -2.38 1.65 0.00 0.03 0.00 0.00 46.19 45.34 1su4 s LEU 735 CO 0.02 -1.20 2.05 0.00 0.23 0.00 0.00 176.35 177.44 1su4 h ALA 736 N 9.15 1.81 0.11 4.21 0.00 -1.36 0.25 119.26 133.42 1su4 h ALA 736 Ca -0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1su4 h ALA 736 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1su4 h ALA 736 CO 1.12 -0.38 -1.11 0.22 0.00 0.00 0.00 179.25 179.10 1su4 h ASP 737 N 0.00 0.35 0.00 0.00 1.82 -1.88 -3.43 116.42 113.27 1su4 h ASP 737 Ca 0.10 -0.87 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 1su4 h ASP 737 Cb 0.64 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1su4 h ASP 737 CO -0.00 1.49 0.00 0.47 -1.61 0.00 0.00 179.24 179.59 1su4 n ASP 738 N -4.08 0.00 -4.69 2.28 10.43 -0.42 -4.95 116.55 115.12 1su4 n ASP 738 Ca -0.21 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.74 1su4 n ASP 738 Cb 0.83 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.75 1su4 n ASP 738 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1su4 s ASN 739 N -3.10 7.00 0.51 -2.24 3.84 -1.26 -3.91 114.94 115.79 1su4 s ASN 739 Ca 0.00 1.22 0.23 0.00 0.21 0.00 0.00 52.86 54.52 1su4 s ASN 739 Cb 0.00 -2.45 1.32 0.00 -0.55 0.00 0.00 41.25 39.57 1su4 s ASN 739 CO 0.00 -0.29 1.99 0.15 -2.79 0.00 0.00 177.10 176.17 1su4 h PHE 740 N 7.09 0.09 0.00 0.43 3.04 -1.50 0.15 116.94 126.25 1su4 h PHE 740 Ca -0.34 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.57 1su4 h PHE 740 Cb 1.16 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.64 1su4 h PHE 740 CO 0.69 0.04 -0.16 0.77 -2.02 0.00 0.00 178.31 177.63 1su4 h SER 741 N 0.08 0.00 0.87 0.41 0.02 -1.82 -1.67 113.55 111.44 1su4 h SER 741 Ca 0.25 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1su4 h SER 741 Cb 0.90 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1su4 h SER 741 CO -0.02 0.16 -0.57 0.74 -1.14 0.00 0.00 176.83 175.99 1su4 h THR 742 N 0.00 1.21 -0.17 -2.27 2.02 -1.04 -2.52 112.91 110.14 1su4 h THR 742 Ca -0.00 -2.12 -0.08 0.00 0.77 0.00 0.00 66.41 64.98 1su4 h THR 742 Cb 0.41 2.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1su4 h THR 742 CO 0.02 0.56 -0.20 0.40 0.37 0.00 0.00 175.52 176.67 1su4 h ILE 743 N 0.00 1.34 -0.43 3.11 2.04 -1.30 -2.10 117.51 120.17 1su4 h ILE 743 Ca -0.01 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 1su4 h ILE 743 Cb 1.16 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 1su4 h ILE 743 CO 0.07 0.42 0.06 0.58 0.00 0.00 0.00 178.15 179.28 1su4 h VAL 744 N 0.09 1.21 -0.34 1.67 2.07 -1.50 -1.34 116.25 118.11 1su4 h VAL 744 Ca 0.02 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 1su4 h VAL 744 Cb 0.76 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1su4 h VAL 744 CO 0.05 0.28 -0.29 0.00 0.02 0.00 0.00 177.57 177.63 1su4 h ALA 745 N 1.43 0.86 -0.66 1.67 0.00 -1.39 -2.25 119.26 118.92 1su4 h ALA 745 Ca 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1su4 h ALA 745 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1su4 h ALA 745 CO 0.01 0.63 0.15 0.00 0.00 0.00 0.00 179.25 180.04 1su4 h ALA 746 N 1.07 0.87 -0.46 0.00 0.00 -0.63 -2.01 119.26 118.10 1su4 h ALA 746 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1su4 h ALA 746 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1su4 h ALA 746 CO 0.07 0.59 0.15 0.28 0.00 0.00 0.00 179.25 180.34 1su4 h VAL 747 N 0.98 1.19 -0.45 0.00 2.07 -1.09 -1.92 116.25 117.03 1su4 h VAL 747 Ca 0.21 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1su4 h VAL 747 Cb 0.37 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1su4 h VAL 747 CO 0.00 0.24 -0.10 -0.08 0.02 0.00 0.00 177.57 177.65 1su4 h GLU 748 N 0.66 0.85 -0.48 1.57 4.81 -0.94 -1.91 114.58 119.15 1su4 h GLU 748 Ca 0.16 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1su4 h GLU 748 Cb 0.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1su4 h GLU 748 CO -0.01 0.96 0.09 0.93 -0.73 0.00 0.00 179.01 180.25 1su4 h GLU 749 N 0.69 0.79 -0.77 1.92 4.39 -1.09 -0.66 114.58 119.86 1su4 h GLU 749 Ca 0.11 -0.20 0.09 0.00 0.34 0.00 0.00 59.36 59.70 1su4 h GLU 749 Cb 0.64 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 1su4 h GLU 749 CO 0.04 0.79 0.42 0.78 -1.16 0.00 0.00 179.01 179.88 1su4 h GLY 750 N 0.66 1.17 0.96 -3.84 0.00 -1.19 0.32 103.07 101.15 1su4 h GLY 750 Ca 0.15 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1su4 h GLY 750 CO 0.01 0.12 -0.07 3.21 0.00 0.00 0.00 176.54 179.81 1su4 h ARG 751 N 0.73 0.74 -0.67 4.80 3.08 -0.93 -2.76 114.38 119.36 1su4 h ARG 751 Ca 0.37 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1su4 h ARG 751 Cb 0.32 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1su4 h ARG 751 CO -0.24 0.87 0.36 0.00 -1.07 0.00 0.00 179.97 179.89 1su4 h ALA 752 N 0.85 0.90 -0.63 0.04 0.00 0.38 -1.91 119.26 118.89 1su4 h ALA 752 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1su4 h ALA 752 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1su4 h ALA 752 CO 0.03 0.01 0.40 0.82 0.00 0.00 0.00 179.25 180.51 1su4 h ILE 753 N 0.65 1.17 -0.14 0.00 2.04 -0.30 -2.46 117.51 118.48 1su4 h ILE 753 Ca 0.31 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1su4 h ILE 753 Cb 0.23 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1su4 h ILE 753 CO -0.20 0.17 0.04 0.22 0.00 0.00 0.00 178.15 178.38 1su4 h TYR 754 N 0.85 0.07 0.01 1.37 3.20 -1.11 -2.90 116.97 118.46 1su4 h TYR 754 Ca 0.23 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1su4 h TYR 754 Cb -0.06 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1su4 h TYR 754 CO -0.02 0.04 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.32 1su4 h ASN 755 N 0.11 -0.90 -1.00 -2.11 4.21 -1.05 -0.83 115.58 114.00 1su4 h ASN 755 Ca 0.06 0.12 0.24 0.00 1.21 0.00 0.00 56.30 57.93 1su4 h ASN 755 Cb 0.04 0.36 -0.09 0.00 -1.12 0.00 0.00 38.32 37.51 1su4 h ASN 755 CO -0.07 -0.37 0.65 0.78 -1.29 0.00 0.00 177.43 177.13 1su4 h ASN 756 N -0.45 0.45 -0.36 5.81 4.21 -1.38 0.56 115.58 124.41 1su4 h ASN 756 Ca 0.06 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.60 1su4 h ASN 756 Cb 0.54 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1su4 h ASN 756 CO -0.25 0.12 0.08 -0.03 -1.29 0.00 0.00 177.43 176.06 1su4 h MET 757 N 0.42 0.59 -0.32 0.81 4.05 -0.98 -0.55 114.93 118.95 1su4 h MET 757 Ca 0.56 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.79 1su4 h MET 757 Cb 1.39 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 1su4 h MET 757 CO -0.26 0.64 0.06 0.87 0.23 0.00 0.00 176.91 178.45 1su4 h LYS 758 N 0.43 0.52 -0.80 0.39 1.79 0.71 0.31 116.57 119.92 1su4 h LYS 758 Ca 0.11 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1su4 h LYS 758 Cb 0.33 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1su4 h LYS 758 CO 0.00 0.61 0.47 1.96 -1.08 0.00 0.00 179.45 181.41 1su4 h GLN 759 N 0.35 1.10 -0.82 3.15 7.50 -0.56 0.16 115.11 125.99 1su4 h GLN 759 Ca 0.10 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.15 1su4 h GLN 759 Cb 0.33 -0.23 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 1su4 h GLN 759 CO 0.00 0.78 0.53 0.35 -1.50 0.00 0.00 178.83 179.00 1su4 h PHE 760 N 1.10 1.04 -0.19 2.96 3.04 -0.76 -2.05 116.94 122.08 1su4 h PHE 760 Ca 0.29 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.07 1su4 h PHE 760 Cb -0.02 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.14 1su4 h PHE 760 CO -0.00 0.67 -0.61 0.82 -2.02 0.00 0.00 178.31 177.17 1su4 h ILE 761 N 1.11 1.31 0.37 1.41 2.04 0.03 -3.05 117.51 120.74 1su4 h ILE 761 Ca 0.30 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 1su4 h ILE 761 Cb -0.11 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1su4 h ILE 761 CO -0.06 0.58 -0.18 -0.09 0.00 0.00 0.00 178.15 178.40 1su4 h ARG 762 N 0.49 -0.48 -0.29 2.37 2.43 -0.34 -0.08 114.38 118.47 1su4 h ARG 762 Ca -0.00 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1su4 h ARG 762 Cb 1.18 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.78 1su4 h ARG 762 CO 0.12 -0.27 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.26 1su4 h TYR 763 N -0.59 -0.30 -0.11 2.20 3.20 -1.47 0.46 116.97 120.37 1su4 h TYR 763 Ca -0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1su4 h TYR 763 Cb 0.44 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1su4 h TYR 763 CO -0.03 -0.19 0.03 -0.07 -1.64 0.00 0.00 178.16 176.25 1su4 h LEU 764 N -0.08 0.17 -0.21 2.82 4.07 -1.48 -2.37 115.31 118.22 1su4 h LEU 764 Ca 0.15 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.76 1su4 h LEU 764 Cb 0.31 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1su4 h LEU 764 CO -0.34 0.35 -0.33 0.40 -1.08 0.00 0.00 178.44 177.43 1su4 h ILE 765 N -0.03 1.33 -0.02 1.22 5.03 -0.73 -1.77 117.51 122.54 1su4 h ILE 765 Ca 0.03 -1.54 -0.00 0.00 -0.12 0.00 0.00 64.86 63.23 1su4 h ILE 765 Cb 0.25 1.81 -0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1su4 h ILE 765 CO 0.00 0.48 0.01 0.77 -0.68 0.00 0.00 178.15 178.73 1su4 h SER 766 N 0.28 0.02 0.50 1.72 4.64 -0.15 -0.49 113.55 120.08 1su4 h SER 766 Ca 0.02 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1su4 h SER 766 Cb 0.92 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1su4 h SER 766 CO 0.08 0.13 -0.31 0.28 -0.87 0.00 0.00 176.83 176.13 1su4 h SER 767 N -0.08 -0.78 0.29 4.97 0.02 -1.49 -2.46 113.55 114.02 1su4 h SER 767 Ca 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1su4 h SER 767 Cb 0.11 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1su4 h SER 767 CO -0.00 -0.49 -0.04 0.78 -1.14 0.00 0.00 176.83 175.94 1su4 h ASN 768 N -0.78 0.00 -0.14 3.07 2.35 -1.31 -1.71 115.58 117.07 1su4 h ASN 768 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1su4 h ASN 768 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1su4 h ASN 768 CO 0.06 0.04 0.03 0.58 -1.65 0.00 0.00 177.43 176.48 1su4 h VAL 769 N 0.00 1.21 -0.82 2.81 2.07 -0.61 -2.53 116.25 118.38 1su4 h VAL 769 Ca -0.00 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1su4 h VAL 769 Cb 0.19 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1su4 h VAL 769 CO 0.00 0.20 0.54 1.23 0.02 0.00 0.00 177.57 179.56 1su4 h GLY 770 N 0.02 1.16 0.21 2.17 0.00 -1.08 -1.72 103.07 103.83 1su4 h GLY 770 Ca 0.04 -0.44 0.16 0.00 0.00 0.00 0.00 47.33 47.09 1su4 h GLY 770 CO 0.00 0.43 0.50 0.83 0.00 0.00 0.00 176.54 178.30 1su4 h GLU 771 N 1.12 0.67 -0.01 4.80 5.08 -1.22 0.26 114.58 125.27 1su4 h GLU 771 Ca 0.30 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1su4 h GLU 771 Cb -0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1su4 h GLU 771 CO -0.06 0.44 -0.01 0.28 -1.00 0.00 0.00 179.01 178.66 1su4 h VAL 772 N 0.69 1.36 -0.81 3.13 2.07 -0.91 -3.09 116.25 118.69 1su4 h VAL 772 Ca 0.50 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1su4 h VAL 772 Cb 0.71 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1su4 h VAL 772 CO -0.36 0.29 0.42 -0.37 0.02 0.00 0.00 177.57 177.56 1su4 h VAL 773 N -0.42 1.24 -0.58 2.57 -1.51 -0.84 -2.78 116.25 113.93 1su4 h VAL 773 Ca 0.00 -0.64 0.12 0.00 -1.23 0.00 0.00 66.70 64.95 1su4 h VAL 773 Cb 0.47 0.17 -0.11 0.00 -2.13 0.00 0.00 31.29 29.69 1su4 h VAL 773 CO 0.00 0.28 -0.18 0.00 -1.23 0.00 0.00 177.57 176.44 1su4 h ILE 775 N -0.04 1.14 0.03 0.00 1.08 -1.42 -2.62 117.51 115.69 1su4 h ILE 775 Ca 0.27 -0.48 -0.24 0.00 -0.39 0.00 0.00 64.86 64.02 1su4 h ILE 775 Cb 0.46 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1su4 h ILE 775 CO -0.62 0.18 -1.17 -0.26 -0.69 0.00 0.00 178.15 175.59 1su4 h PHE 776 N 0.45 0.13 0.00 1.37 -1.00 -0.11 -3.01 116.94 114.77 1su4 h PHE 776 Ca 0.11 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1su4 h PHE 776 Cb 0.15 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1su4 h PHE 776 CO 0.00 1.08 -0.08 1.25 -1.61 0.00 0.00 178.31 178.95 1su4 h LEU 777 N 0.02 0.00 0.00 1.54 6.46 0.27 0.25 115.31 123.86 1su4 h LEU 777 Ca -0.08 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.42 1su4 h LEU 777 Cb 1.86 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.74 1su4 h LEU 777 CO 0.14 0.08 -1.77 0.35 -0.62 0.00 0.00 178.44 176.62 1su4 n THR 778 N -4.20 1.36 -0.03 1.05 -2.24 -1.18 -3.35 114.28 105.69 1su4 n THR 778 Ca -0.03 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.85 1su4 n THR 778 Cb 0.17 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 1su4 n THR 778 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1su4 h ALA 779 N 1.18 0.08 0.10 6.98 0.00 -1.24 0.54 119.26 126.90 1su4 h ALA 779 Ca -0.29 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1su4 h ALA 779 Cb 1.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1su4 h ALA 779 CO 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 1su4 h ALA 780 N 0.40 -0.13 0.21 0.00 0.00 -0.71 -3.27 119.26 115.76 1su4 h ALA 780 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1su4 h ALA 780 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1su4 h ALA 780 CO 0.04 -0.54 -0.10 -0.07 0.00 0.00 0.00 179.25 178.59 1su4 h LEU 781 N -0.20 -0.24 0.00 0.00 3.38 -1.64 -3.48 115.31 113.14 1su4 h LEU 781 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su4 h LEU 781 Cb 0.16 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1su4 h LEU 781 CO 0.02 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1su4 n GLY 782 N -0.93 -0.54 3.48 0.83 0.00 0.12 -4.90 105.19 103.25 1su4 n GLY 782 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1su4 n GLY 782 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1su4 n LEU 783 N 0.00 0.19 -4.73 0.99 4.77 -0.81 -4.48 117.00 112.94 1su4 n LEU 783 Ca 0.00 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1su4 n LEU 783 Cb 0.00 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 1su4 n LEU 783 CO 0.00 -3.00 1.00 -2.84 -1.33 0.00 0.00 177.39 171.22 1su4 s PRO 784 N -4.10 4.38 0.15 3.23 0.02 -1.26 -4.68 135.00 132.72 1su4 s PRO 784 Ca 0.63 2.02 -0.34 0.00 0.02 0.00 0.00 61.00 63.32 1su4 s PRO 784 Cb -0.21 -3.23 -0.15 0.00 0.02 0.00 0.00 34.50 30.92 1su4 s PRO 784 CO 0.64 -0.31 1.34 0.39 -0.33 0.00 0.00 177.00 178.73 1su4 n GLU 785 N 3.23 1.45 -0.23 5.54 1.02 -1.26 -4.89 120.64 125.50 1su4 n GLU 785 Ca 0.08 0.52 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 1su4 n GLU 785 Cb 0.43 -2.15 0.20 0.00 -0.02 0.00 0.00 31.44 29.91 1su4 n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su4 n ALA 786 N 2.30 2.26 -3.65 0.62 0.00 -1.26 -4.92 120.51 115.85 1su4 n ALA 786 Ca 0.16 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 1su4 n ALA 786 Cb 0.24 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1su4 n ALA 786 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1su4 s LEU 787 N -1.02 -0.02 0.20 0.00 1.43 -1.26 -4.51 118.68 113.50 1su4 s LEU 787 Ca 0.31 0.87 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1su4 s LEU 787 Cb 0.16 1.33 -0.04 0.00 0.03 0.00 0.00 46.19 47.67 1su4 s LEU 787 CO 0.22 -0.19 0.09 0.27 0.23 0.00 0.00 176.35 176.97 1su4 s ILE 788 N 1.27 4.15 0.02 -0.59 -4.36 -1.26 -4.95 121.20 115.48 1su4 s ILE 788 Ca -0.09 -1.33 -0.05 0.00 -0.26 0.00 0.00 60.65 58.93 1su4 s ILE 788 Cb -0.08 -3.15 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1su4 s ILE 788 CO -0.11 -0.18 0.60 -2.65 0.24 0.00 0.00 174.94 172.84 1su4 n PRO 789 N -0.50 -0.06 -0.09 0.37 -0.02 -1.26 0.56 135.00 133.99 1su4 n PRO 789 Ca -0.08 0.60 0.25 0.00 -2.02 0.00 0.00 63.50 62.24 1su4 n PRO 789 Cb 0.56 -0.89 0.71 0.00 -0.02 0.00 0.00 33.50 33.86 1su4 n PRO 789 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1su4 h VAL 790 N 0.00 0.61 -0.28 -1.45 -1.51 -1.96 0.65 116.25 112.29 1su4 h VAL 790 Ca 0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.35 1su4 h VAL 790 Cb 0.06 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1su4 h VAL 790 CO -0.14 0.00 -0.38 1.56 -1.23 0.00 0.00 177.57 177.38 1su4 h GLN 791 N 0.00 0.76 -0.24 5.19 4.20 -0.21 -1.72 115.11 123.10 1su4 h GLN 791 Ca 0.34 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1su4 h GLN 791 Cb 1.40 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1su4 h GLN 791 CO -0.00 1.07 0.13 -0.07 -0.67 0.00 0.00 178.83 179.29 1su4 h LEU 792 N 0.51 0.30 -1.65 1.46 3.38 -0.33 -1.22 115.31 117.77 1su4 h LEU 792 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1su4 h LEU 792 Cb 0.97 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1su4 h LEU 792 CO 0.09 0.30 0.21 -0.07 0.09 0.00 0.00 178.44 179.05 1su4 h LEU 793 N 0.28 0.38 -0.44 1.67 3.38 -1.30 -1.62 115.31 117.66 1su4 h LEU 793 Ca 0.09 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1su4 h LEU 793 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1su4 h LEU 793 CO -0.01 0.29 -0.15 -0.25 0.09 0.00 0.00 178.44 178.40 1su4 h TRP 794 N 0.45 1.00 0.03 1.13 2.91 -0.54 -1.48 115.95 119.45 1su4 h TRP 794 Ca 0.12 -0.23 -0.00 0.00 1.13 0.00 0.00 58.89 59.91 1su4 h TRP 794 Cb -0.03 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.38 1su4 h TRP 794 CO 0.00 1.00 -0.02 0.28 -1.03 0.00 0.00 178.44 178.68 1su4 h VAL 795 N 0.71 1.00 -0.22 2.65 2.07 -0.44 -1.85 116.25 120.17 1su4 h VAL 795 Ca 0.11 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1su4 h VAL 795 Cb 0.71 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1su4 h VAL 795 CO 0.05 0.02 -0.52 -1.13 0.02 0.00 0.00 177.57 176.01 1su4 h ASN 796 N -0.09 -1.69 -0.90 0.57 -1.24 -1.18 0.41 115.58 111.45 1su4 h ASN 796 Ca -0.00 0.21 0.14 0.00 0.71 0.00 0.00 56.30 57.35 1su4 h ASN 796 Cb 0.07 0.67 -0.09 0.00 0.73 0.00 0.00 38.32 39.71 1su4 h ASN 796 CO 0.01 -0.43 0.52 0.25 -1.29 0.00 0.00 177.43 176.48 1su4 h LEU 797 N -0.49 0.70 0.00 0.34 5.85 -1.18 -0.13 115.31 120.39 1su4 h LEU 797 Ca 0.04 0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1su4 h LEU 797 Cb 0.62 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1su4 h LEU 797 CO -0.47 0.33 -1.01 0.58 -0.34 0.00 0.00 178.44 177.53 1su4 h VAL 798 N 0.77 1.70 0.00 1.05 2.07 -0.41 -3.33 116.25 118.10 1su4 h VAL 798 Ca 0.47 -3.41 -0.18 0.00 0.82 0.00 0.00 66.70 64.41 1su4 h VAL 798 Cb 0.59 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1su4 h VAL 798 CO -0.32 0.97 -1.84 0.35 0.02 0.00 0.00 177.57 176.75 1su4 n THR 799 N -3.34 0.67 0.35 2.57 -2.24 0.13 -4.56 114.28 107.86 1su4 n THR 799 Ca -0.00 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1su4 n THR 799 Cb 0.94 -0.44 0.26 0.00 -2.10 0.00 0.00 70.33 69.00 1su4 n THR 799 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1su4 n ASP 800 N -2.36 2.99 0.00 3.42 9.92 -0.08 -4.27 116.55 126.16 1su4 n ASP 800 Ca -0.17 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 1su4 n ASP 800 Cb 0.78 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1su4 n ASP 800 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1su4 n GLY 801 N 1.40 0.42 0.27 0.44 0.00 -1.25 -4.73 105.19 101.74 1su4 n GLY 801 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1su4 n GLY 801 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1su4 h LEU 802 N 0.00 0.26 -0.50 0.99 -0.00 -1.88 -2.14 115.31 112.05 1su4 h LEU 802 Ca 0.00 0.11 0.08 0.00 -0.00 0.00 0.00 57.88 58.06 1su4 h LEU 802 Cb 0.00 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.68 1su4 h LEU 802 CO 0.00 0.11 0.13 -0.65 -0.00 0.00 0.00 178.44 178.03 1su4 h PRO 803 N 0.43 0.28 -0.62 1.13 0.11 -1.84 -0.25 132.00 131.23 1su4 h PRO 803 Ca 0.40 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 1su4 h PRO 803 Cb 0.59 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1su4 h PRO 803 CO -0.39 0.18 0.29 0.00 -0.21 0.00 0.00 178.00 177.87 1su4 h ALA 804 N 1.37 0.81 -0.97 -0.75 0.00 -1.59 -2.50 119.26 115.63 1su4 h ALA 804 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1su4 h ALA 804 Cb 0.31 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1su4 h ALA 804 CO -0.30 0.38 0.63 1.15 0.00 0.00 0.00 179.25 181.11 1su4 h THR 805 N 0.86 1.14 -0.92 0.00 2.02 -0.84 -2.39 112.91 112.78 1su4 h THR 805 Ca 0.21 -0.41 0.08 0.00 0.77 0.00 0.00 66.41 67.06 1su4 h THR 805 Cb 0.14 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.33 1su4 h THR 805 CO -0.02 0.22 0.60 0.00 0.37 0.00 0.00 175.52 176.68 1su4 h ALA 806 N 1.41 1.54 -0.19 6.16 0.00 -0.60 0.53 119.26 128.11 1su4 h ALA 806 Ca 0.39 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1su4 h ALA 806 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1su4 h ALA 806 CO -0.14 0.30 0.22 -0.07 0.00 0.00 0.00 179.25 179.57 1su4 h LEU 807 N 1.00 0.00 -2.39 0.00 4.07 -1.35 0.35 115.31 116.98 1su4 h LEU 807 Ca 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.37 1su4 h LEU 807 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1su4 h LEU 807 CO -0.17 0.00 -0.01 1.23 -1.08 0.00 0.00 178.44 178.41 1su4 h GLY 808 N 0.00 0.00 -3.21 0.83 0.00 -0.97 -0.93 103.07 98.79 1su4 h GLY 808 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1su4 h GLY 808 CO -0.00 0.00 0.08 0.69 0.00 0.00 0.00 176.54 177.30 1su4 n PHE 809 N -3.87 1.86 -2.11 5.60 3.72 0.12 -4.76 117.46 118.02 1su4 n PHE 809 Ca -0.03 -0.74 -0.40 0.00 -0.05 0.00 0.00 57.45 56.23 1su4 n PHE 809 Cb 0.10 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.12 1su4 n PHE 809 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1su4 s ASN 810 N -0.68 6.64 1.06 4.37 0.01 -0.35 -4.97 114.94 121.02 1su4 s ASN 810 Ca 0.46 2.65 -0.13 0.00 -0.71 0.00 0.00 52.86 55.14 1su4 s ASN 810 Cb 0.35 -2.64 0.23 0.00 0.41 0.00 0.00 41.25 39.60 1su4 s ASN 810 CO 0.13 -0.62 1.07 -2.84 -1.51 0.00 0.00 177.10 173.33 1su4 s PRO 811 N -1.94 -0.09 0.27 -0.60 0.02 -1.26 -4.94 135.00 126.45 1su4 s PRO 811 Ca 0.51 0.59 -0.30 0.00 0.02 0.00 0.00 61.00 61.83 1su4 s PRO 811 Cb -0.39 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1su4 s PRO 811 CO 0.51 -3.10 1.34 -2.14 -0.33 0.00 0.00 177.00 173.28 1su4 s PRO 812 N -4.81 4.35 1.25 5.54 0.02 -1.26 -4.99 135.00 135.10 1su4 s PRO 812 Ca 0.66 2.18 -0.18 0.00 0.02 0.00 0.00 61.00 63.68 1su4 s PRO 812 Cb -0.21 -3.12 0.27 0.00 0.02 0.00 0.00 34.50 31.47 1su4 s PRO 812 CO 0.60 -0.26 0.63 -0.25 -0.33 0.00 0.00 177.00 177.39 1su4 n ASP 813 N 1.78 -3.13 -0.06 2.53 9.92 -1.26 -4.96 116.55 121.37 1su4 n ASP 813 Ca 0.04 -0.50 -0.15 0.00 -0.53 0.00 0.00 54.79 53.65 1su4 n ASP 813 Cb 0.42 -0.99 -0.14 0.00 -0.64 0.00 0.00 41.12 39.77 1su4 n ASP 813 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1su4 n LEU 814 N -3.88 1.70 -2.08 0.64 4.32 -1.26 -4.20 117.00 112.24 1su4 n LEU 814 Ca 0.07 0.13 -0.10 0.00 -0.02 0.00 0.00 56.01 56.09 1su4 n LEU 814 Cb 0.53 -0.39 0.29 0.00 -1.62 0.00 0.00 43.42 42.23 1su4 n LEU 814 CO 0.42 0.68 1.10 -0.90 -1.22 0.00 0.00 177.39 177.47 1su4 n ASP 815 N -3.16 4.70 -0.37 -1.43 5.75 -1.26 -4.58 116.55 116.20 1su4 n ASP 815 Ca -0.32 -3.30 -0.02 0.00 -0.01 0.00 0.00 54.79 51.14 1su4 n ASP 815 Cb 1.06 -0.77 0.11 0.00 -1.03 0.00 0.00 41.12 40.49 1su4 n ASP 815 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1su4 h ILE 816 N 2.41 1.24 -0.51 2.12 2.10 -1.95 -1.90 117.51 121.00 1su4 h ILE 816 Ca 0.34 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1su4 h ILE 816 Cb 2.47 -0.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1su4 h ILE 816 CO 0.83 0.24 0.00 0.23 -1.08 0.00 0.00 178.15 178.37 1su4 n MET 817 N -4.41 4.42 -0.05 2.19 2.81 -1.26 -4.10 117.12 116.72 1su4 n MET 817 Ca 0.12 -3.08 0.05 0.00 -1.81 0.00 0.00 57.70 52.98 1su4 n MET 817 Cb 0.03 -2.15 0.07 0.00 -0.71 0.00 0.00 33.22 30.46 1su4 n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1su4 n ASP 818 N 0.42 2.15 -4.60 7.83 9.92 -0.72 -2.23 116.55 129.31 1su4 n ASP 818 Ca 0.26 -1.61 -0.30 0.00 -0.53 0.00 0.00 54.79 52.61 1su4 n ASP 818 Cb 1.12 -0.07 -0.10 0.00 -0.64 0.00 0.00 41.12 41.43 1su4 n ASP 818 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1su4 s ARG 819 N -0.88 2.29 0.97 -1.24 0.52 -1.18 -4.86 118.95 114.57 1su4 s ARG 819 Ca 0.14 -0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 1su4 s ARG 819 Cb 0.09 -2.39 0.17 0.00 0.52 0.00 0.00 34.95 33.35 1su4 s ARG 819 CO 0.13 0.53 1.09 -1.25 0.02 0.00 0.00 175.30 175.82 1su4 s PRO 820 N -2.05 0.64 0.43 3.54 0.04 -1.26 -4.54 135.00 131.79 1su4 s PRO 820 Ca 0.21 0.73 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 1su4 s PRO 820 Cb -0.11 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 1su4 s PRO 820 CO 0.13 -2.64 1.19 -1.25 0.04 0.00 0.00 177.00 174.46 1su4 s PRO 821 N -4.87 3.90 0.46 0.56 0.04 -1.21 -4.97 135.00 128.91 1su4 s PRO 821 Ca 0.65 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 1su4 s PRO 821 Cb -0.19 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 1su4 s PRO 821 CO 0.58 -0.45 1.21 0.50 0.04 0.00 0.00 177.00 178.88 1su4 s ARG 822 N -2.47 3.71 -0.21 4.56 3.52 -1.26 -5.02 118.95 121.78 1su4 s ARG 822 Ca 0.60 1.89 -0.12 0.00 -0.13 0.00 0.00 55.73 57.97 1su4 s ARG 822 Cb -0.31 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 1su4 s ARG 822 CO 0.38 -0.62 0.21 0.45 -0.81 0.00 0.00 175.30 174.91 1su4 s SER 823 N -1.21 6.24 0.56 -2.12 0.15 -1.26 -4.71 113.70 111.35 1su4 s SER 823 Ca 0.63 0.27 0.34 0.00 0.70 0.00 0.00 55.95 57.89 1su4 s SER 823 Cb -0.32 -2.13 1.84 0.00 -1.71 0.00 0.00 66.02 63.70 1su4 s SER 823 CO 0.38 0.08 2.03 -0.65 1.20 0.00 0.00 173.24 176.28 1su4 h PRO 824 N 7.13 0.00 0.13 5.44 0.11 -1.95 -2.12 132.00 140.74 1su4 h PRO 824 Ca -0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.45 1su4 h PRO 824 Cb 1.16 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.30 1su4 h PRO 824 CO 0.71 0.00 -1.14 0.87 -0.21 0.00 0.00 178.00 178.23 1su4 h LYS 825 N 0.00 0.55 -6.49 1.05 1.79 -2.00 -3.47 116.57 107.99 1su4 h LYS 825 Ca 0.00 -0.76 -0.59 0.00 -2.18 0.00 0.00 60.65 57.12 1su4 h LYS 825 Cb 0.20 0.26 0.15 0.00 -1.58 0.00 0.00 32.23 31.26 1su4 h LYS 825 CO 0.00 1.34 -0.21 0.39 -1.08 0.00 0.00 179.45 179.89 1su4 n GLU 826 N -3.88 0.78 -1.42 3.15 -0.58 -0.80 -4.94 120.64 112.95 1su4 n GLU 826 Ca -0.14 0.29 -0.33 0.00 -0.42 0.00 0.00 57.16 56.56 1su4 n GLU 826 Cb 0.94 -1.75 0.08 0.00 -0.57 0.00 0.00 31.44 30.15 1su4 n GLU 826 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1su4 s PRO 827 N -1.91 2.27 0.18 3.49 0.04 -1.26 -4.94 135.00 132.87 1su4 s PRO 827 Ca 0.66 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1su4 s PRO 827 Cb -0.54 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.26 1su4 s PRO 827 CO 0.56 -1.67 1.81 1.25 0.04 0.00 0.00 177.00 178.98 1su4 h LEU 828 N -0.56 0.49 -8.03 -3.56 5.85 -1.93 -3.39 115.31 104.17 1su4 h LEU 828 Ca -0.46 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 57.61 1su4 h LEU 828 Cb 1.26 -0.09 -0.35 0.00 0.37 0.00 0.00 40.66 41.85 1su4 h LEU 828 CO 0.51 0.34 -0.85 -0.63 -0.34 0.00 0.00 178.44 177.47 1su4 s ILE 829 N -6.13 2.11 0.54 4.05 1.01 -1.26 -5.10 121.20 116.42 1su4 s ILE 829 Ca -0.13 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.30 1su4 s ILE 829 Cb 0.14 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1su4 s ILE 829 CO 0.74 0.43 1.01 -0.94 0.00 0.00 0.00 174.94 176.18 1su4 s SER 830 N 1.26 6.36 0.32 3.58 1.04 -1.26 -4.83 113.70 120.16 1su4 s SER 830 Ca 0.02 1.63 0.07 0.00 0.48 0.00 0.00 55.95 58.15 1su4 s SER 830 Cb -0.14 -2.51 0.77 0.00 0.10 0.00 0.00 66.02 64.24 1su4 s SER 830 CO -0.11 -0.77 1.79 1.23 0.98 0.00 0.00 173.24 176.35 1su4 h GLY 831 N 0.69 1.69 2.00 7.32 0.00 -1.99 0.42 103.07 113.20 1su4 h GLY 831 Ca -0.47 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 1su4 h GLY 831 CO 0.60 -0.05 -0.33 -0.25 0.00 0.00 0.00 176.54 176.51 1su4 h TRP 832 N 0.74 0.00 -0.03 5.60 2.91 -1.99 -1.79 115.95 121.39 1su4 h TRP 832 Ca 0.57 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.49 1su4 h TRP 832 Cb 0.92 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.58 1su4 h TRP 832 CO -0.00 0.33 -0.37 1.25 -1.03 0.00 0.00 178.44 178.62 1su4 h LEU 833 N 0.00 0.37 -1.64 0.65 5.85 -0.62 -1.12 115.31 118.81 1su4 h LEU 833 Ca -0.00 -0.72 0.05 0.00 0.84 0.00 0.00 57.88 58.04 1su4 h LEU 833 Cb 0.65 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1su4 h LEU 833 CO 0.04 1.04 0.32 0.15 -0.34 0.00 0.00 178.44 179.65 1su4 h PHE 834 N -0.26 0.45 -0.31 1.25 3.57 -0.81 0.30 116.94 121.14 1su4 h PHE 834 Ca -0.04 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.30 1su4 h PHE 834 Cb 1.07 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1su4 h PHE 834 CO 0.15 0.25 -0.47 0.35 -2.23 0.00 0.00 178.31 176.36 1su4 h PHE 835 N 0.46 1.07 0.00 0.41 3.57 -1.27 -0.22 116.94 120.97 1su4 h PHE 835 Ca 0.20 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1su4 h PHE 835 Cb 0.21 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1su4 h PHE 835 CO -0.00 1.18 -0.07 -0.09 -2.23 0.00 0.00 178.31 177.10 1su4 h ARG 836 N 0.65 0.00 0.00 1.11 9.65 0.61 -0.99 114.38 125.41 1su4 h ARG 836 Ca 0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1su4 h ARG 836 Cb 1.08 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1su4 h ARG 836 CO 0.11 0.07 -0.03 1.88 2.80 0.00 0.00 179.97 184.80 1su4 h TYR 837 N 0.00 0.00 0.00 2.20 0.05 -0.00 -2.96 116.97 116.26 1su4 h TYR 837 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1su4 h TYR 837 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1su4 h TYR 837 CO 0.00 0.47 0.00 -1.33 -1.05 0.00 0.00 178.16 176.25 1su4 n MET 838 N -4.70 0.12 -0.13 4.88 2.81 -0.14 -1.61 117.12 118.35 1su4 n MET 838 Ca -0.05 0.17 -0.22 0.00 -1.81 0.00 0.00 57.70 55.80 1su4 n MET 838 Cb 0.23 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 1su4 n MET 838 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1su4 n ALA 839 N -1.23 1.36 -0.08 3.04 0.00 -0.39 -3.12 120.51 120.10 1su4 n ALA 839 Ca 0.04 -1.11 -0.11 0.00 0.00 0.00 0.00 53.44 52.26 1su4 n ALA 839 Cb 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.49 1su4 n ALA 839 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1su4 h ILE 840 N -0.32 1.28 0.17 0.00 1.08 -1.32 -3.07 117.51 115.32 1su4 h ILE 840 Ca -0.62 -1.59 -0.01 0.00 -0.39 0.00 0.00 64.86 62.25 1su4 h ILE 840 Cb 1.81 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 1su4 h ILE 840 CO -0.20 0.52 -0.08 1.23 -0.69 0.00 0.00 178.15 178.93 1su4 h GLY 841 N 0.87 -0.23 -1.36 5.37 0.00 -1.36 -2.74 103.07 103.61 1su4 h GLY 841 Ca 0.05 0.09 0.48 0.00 0.00 0.00 0.00 47.33 47.94 1su4 h GLY 841 CO 0.09 -0.08 1.07 -1.33 0.00 0.00 0.00 176.54 176.28 1su4 h GLY 842 N -0.82 0.69 0.13 4.60 0.00 -1.60 0.32 103.07 106.39 1su4 h GLY 842 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1su4 h GLY 842 CO 0.04 -0.21 -0.06 -1.82 0.00 0.00 0.00 176.54 174.48 1su4 h TYR 843 N 0.04 -0.17 -1.04 5.60 3.20 -1.48 -3.00 116.97 120.12 1su4 h TYR 843 Ca 0.84 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.98 1su4 h TYR 843 Cb 3.00 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 41.25 1su4 h TYR 843 CO -0.00 -0.10 0.70 -0.39 -1.64 0.00 0.00 178.16 176.72 1su4 h VAL 844 N -0.68 0.52 -0.54 1.81 -1.51 -0.78 0.91 116.25 115.97 1su4 h VAL 844 Ca -0.02 -0.09 -0.03 0.00 -1.23 0.00 0.00 66.70 65.33 1su4 h VAL 844 Cb 0.14 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.50 1su4 h VAL 844 CO 0.03 0.05 0.24 1.23 -1.23 0.00 0.00 177.57 177.89 1su4 h GLY 845 N 0.27 0.86 0.89 5.19 0.00 -0.53 -2.65 103.07 107.10 1su4 h GLY 845 Ca 0.55 -0.45 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 1su4 h GLY 845 CO -0.19 0.42 -1.15 0.00 0.00 0.00 0.00 176.54 175.62 1su4 h ALA 846 N 1.08 -0.08 0.00 3.60 0.00 -0.52 -2.97 119.26 120.37 1su4 h ALA 846 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1su4 h ALA 846 Cb 0.16 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1su4 h ALA 846 CO -0.02 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.84 1su4 n ALA 847 N -2.72 0.99 -0.09 0.00 0.00 0.29 0.77 120.51 119.74 1su4 n ALA 847 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1su4 n ALA 847 Cb 0.94 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 1su4 n ALA 847 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1su4 n THR 848 N -1.27 1.35 0.30 0.00 -1.04 -1.01 -3.12 114.28 109.50 1su4 n THR 848 Ca 0.00 -0.06 0.17 0.00 -2.04 0.00 0.00 64.05 62.12 1su4 n THR 848 Cb 0.05 -2.01 0.94 0.00 -1.82 0.00 0.00 70.33 67.49 1su4 n THR 848 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1su4 h VAL 849 N -0.81 0.34 0.06 12.58 -1.51 -1.23 -0.60 116.25 125.06 1su4 h VAL 849 Ca -0.28 -0.19 -0.29 0.00 -1.23 0.00 0.00 66.70 64.71 1su4 h VAL 849 Cb 1.15 1.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 1su4 h VAL 849 CO -0.17 0.03 -1.56 1.23 -1.23 0.00 0.00 177.57 175.87 1su4 h GLY 850 N 0.39 0.13 2.00 5.19 0.00 0.15 -2.67 103.07 108.26 1su4 h GLY 850 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1su4 h GLY 850 CO 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 176.54 176.84 1su4 h ALA 851 N 0.72 1.80 0.10 3.60 0.00 -1.05 0.51 119.26 124.93 1su4 h ALA 851 Ca -0.24 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 1su4 h ALA 851 Cb 1.98 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1su4 h ALA 851 CO 0.12 0.01 -2.06 0.00 0.00 0.00 0.00 179.25 177.31 1su4 n ALA 852 N -2.45 1.01 0.30 0.00 0.00 -1.06 -3.93 120.51 114.38 1su4 n ALA 852 Ca -0.03 -0.69 0.18 0.00 0.00 0.00 0.00 53.44 52.90 1su4 n ALA 852 Cb 0.09 -0.60 0.97 0.00 0.00 0.00 0.00 19.45 19.92 1su4 n ALA 852 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1su4 h ALA 853 N 0.12 1.19 -0.60 0.00 0.00 -1.08 -1.27 119.26 117.62 1su4 h ALA 853 Ca -0.44 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1su4 h ALA 853 Cb 2.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1su4 h ALA 853 CO 0.06 0.04 0.06 2.35 0.00 0.00 0.00 179.25 181.76 1su4 h TRP 854 N 0.00 1.10 0.00 0.00 7.01 -1.03 0.62 115.95 123.65 1su4 h TRP 854 Ca -0.00 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 1su4 h TRP 854 Cb 0.15 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1su4 h TRP 854 CO 0.00 0.96 -0.07 2.35 -2.79 0.00 0.00 178.44 178.89 1su4 h TRP 855 N 0.93 0.00 0.07 2.65 2.91 -1.38 -1.28 115.95 119.85 1su4 h TRP 855 Ca 0.18 0.00 -0.37 0.00 1.13 0.00 0.00 58.89 59.83 1su4 h TRP 855 Cb 0.48 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 1su4 h TRP 855 CO 0.04 0.07 -2.13 1.19 -1.03 0.00 0.00 178.44 176.57 1su4 n PHE 856 N -4.31 0.82 0.00 2.65 0.99 -0.89 -3.48 117.46 113.25 1su4 n PHE 856 Ca -0.03 0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1su4 n PHE 856 Cb 0.15 -1.11 0.00 0.00 -1.00 0.00 0.00 39.48 37.52 1su4 n PHE 856 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1su4 n MET 857 N -3.35 0.00 -2.02 -1.08 2.81 0.21 0.11 117.12 113.80 1su4 n MET 857 Ca -0.35 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.15 1su4 n MET 857 Cb 1.04 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.54 1su4 n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1su4 n TYR 858 N 0.00 2.56 -1.53 2.03 4.02 -1.17 -3.46 117.16 119.61 1su4 n TYR 858 Ca 0.00 -2.75 -0.36 0.00 -0.01 0.00 0.00 57.90 54.78 1su4 n TYR 858 Cb 0.00 -1.75 0.09 0.00 -0.02 0.00 0.00 39.34 37.66 1su4 n TYR 858 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1su4 n ALA 859 N 1.50 0.74 -4.04 -0.72 0.00 -0.49 -4.85 120.51 112.65 1su4 n ALA 859 Ca 0.60 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 1su4 n ALA 859 Cb 0.26 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 1su4 n ALA 859 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1su4 s GLU 860 N -3.58 2.27 -1.11 0.00 2.02 -1.26 -4.71 118.70 112.33 1su4 s GLU 860 Ca 0.80 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1su4 s GLU 860 Cb -0.35 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1su4 s GLU 860 CO 0.44 -0.45 0.00 -3.47 0.02 0.00 0.00 175.26 171.80 1su4 n ASP 861 N 4.57 -3.57 -4.24 -0.19 2.03 -1.26 -4.93 116.55 108.97 1su4 n ASP 861 Ca -0.15 0.24 -0.15 0.00 0.52 0.00 0.00 54.79 55.24 1su4 n ASP 861 Cb 0.45 -3.15 -0.10 0.00 -0.72 0.00 0.00 41.12 37.59 1su4 n ASP 861 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1su4 s GLY 862 N -2.02 1.05 0.00 0.27 0.00 -1.26 -5.16 107.32 100.20 1su4 s GLY 862 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1su4 s GLY 862 CO 0.00 -1.48 0.00 -1.55 0.00 0.00 0.00 173.10 170.07 1su4 n PRO 863 N 0.10 0.46 0.00 2.90 -0.04 -1.26 -4.52 135.00 132.65 1su4 n PRO 863 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1su4 n PRO 863 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1su4 n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1su4 n GLY 864 N 0.00 1.40 4.10 0.55 0.00 -1.26 -4.78 105.19 105.20 1su4 n GLY 864 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1su4 n GLY 864 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1su4 n VAL 865 N 0.00 -2.19 -2.90 1.61 0.31 -1.19 -4.90 118.33 109.07 1su4 n VAL 865 Ca 0.00 -0.54 -0.24 0.00 -0.01 0.00 0.00 64.34 63.55 1su4 n VAL 865 Cb 0.00 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.01 1su4 n VAL 865 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1su4 n THR 866 N -4.79 2.22 0.00 2.52 -1.04 0.30 -4.95 114.28 108.53 1su4 n THR 866 Ca -0.14 -5.15 0.00 0.00 -2.04 0.00 0.00 64.05 56.72 1su4 n THR 866 Cb 0.55 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1su4 n THR 866 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1su4 n TYR 867 N -0.17 0.00 -1.62 -1.42 0.18 -1.08 -4.54 117.16 108.51 1su4 n TYR 867 Ca 0.30 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.08 1su4 n TYR 867 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1su4 n TYR 867 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1su4 n HIS 868 N 0.01 0.00 -1.68 -3.48 -0.00 -1.26 -4.91 115.22 103.89 1su4 n HIS 868 Ca 0.00 0.00 -0.48 0.00 0.46 0.00 0.00 57.72 57.70 1su4 n HIS 868 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 1su4 n HIS 868 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1su4 n GLN 869 N 0.00 2.12 0.00 1.57 7.27 -1.26 -4.78 117.38 122.30 1su4 n GLN 869 Ca 0.00 0.78 0.04 0.00 0.07 0.00 0.00 57.00 57.88 1su4 n GLN 869 Cb 0.00 -2.60 -0.03 0.00 2.41 0.00 0.00 30.24 30.02 1su4 n GLN 869 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1su4 n LEU 870 N 6.01 0.60 -0.04 1.69 4.77 -1.26 -4.70 117.00 124.08 1su4 n LEU 870 Ca 0.22 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.45 1su4 n LEU 870 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1su4 n LEU 870 CO 0.72 0.13 0.50 0.74 -1.33 0.00 0.00 177.39 178.16 1su4 h THR 871 N 0.32 0.00 -1.05 -5.08 2.02 -1.86 -1.91 112.91 105.34 1su4 h THR 871 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.66 1su4 h THR 871 Cb 0.20 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 66.42 1su4 h THR 871 CO 0.00 0.00 0.57 1.41 0.37 0.00 0.00 175.52 177.87 1su4 n HIS 872 N -5.37 2.02 0.32 3.16 8.25 -1.26 -4.53 115.22 117.81 1su4 n HIS 872 Ca -0.05 -2.16 0.21 0.00 -0.26 0.00 0.00 57.72 55.46 1su4 n HIS 872 Cb 0.36 -1.25 1.10 0.00 1.12 0.00 0.00 29.99 31.32 1su4 n HIS 872 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1su4 h PHE 873 N 2.47 0.00 0.00 4.41 3.57 -1.63 -0.85 116.94 124.91 1su4 h PHE 873 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1su4 h PHE 873 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1su4 h PHE 873 CO 1.24 0.00 0.00 -1.33 -2.23 0.00 0.00 178.31 175.99 1su4 n MET 874 N -3.00 0.95 0.00 1.11 2.81 -1.26 -2.13 117.12 115.60 1su4 n MET 874 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1su4 n MET 874 Cb 0.10 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1su4 n MET 874 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1su4 n GLN 875 N 0.30 0.09 0.28 0.03 6.02 -0.32 -4.77 117.38 119.00 1su4 n GLN 875 Ca 0.00 -0.31 0.13 0.00 -0.01 0.00 0.00 57.00 56.81 1su4 n GLN 875 Cb 0.37 -0.55 0.81 0.00 1.02 0.00 0.00 30.24 31.88 1su4 n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1su4 n THR 877 N -3.93 2.57 0.00 0.00 -1.04 -1.26 -3.78 114.28 106.84 1su4 n THR 877 Ca -0.03 -1.39 0.00 0.00 -2.04 0.00 0.00 64.05 60.60 1su4 n THR 877 Cb 0.13 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1su4 n THR 877 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1su4 n GLU 878 N -0.35 1.53 -3.34 -2.82 4.07 0.65 -4.98 120.64 115.40 1su4 n GLU 878 Ca 0.39 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.34 1su4 n GLU 878 Cb 1.29 -0.78 -0.07 0.00 -0.06 0.00 0.00 31.44 31.82 1su4 n GLU 878 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1su4 s ASP 879 N -2.58 0.85 0.03 4.31 1.01 -0.86 -5.03 116.67 114.41 1su4 s ASP 879 Ca 0.00 -1.41 0.27 0.00 0.71 0.00 0.00 52.55 52.12 1su4 s ASP 879 Cb 0.00 0.74 0.79 0.00 1.01 0.00 0.00 42.92 45.46 1su4 s ASP 879 CO 0.00 -0.26 1.63 0.00 0.21 0.00 0.00 175.17 176.75 1su4 n HIS 880 N 4.35 0.14 0.10 4.23 1.44 -1.25 -4.09 115.22 120.14 1su4 n HIS 880 Ca 0.10 0.04 0.01 0.00 -2.01 0.00 0.00 57.72 55.86 1su4 n HIS 880 Cb 0.47 -0.45 0.04 0.00 0.12 0.00 0.00 29.99 30.16 1su4 n HIS 880 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1su4 n PRO 881 N -1.63 0.05 0.07 -1.40 -0.04 -1.26 -1.60 135.00 129.19 1su4 n PRO 881 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1su4 n PRO 881 Cb 0.36 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1su4 n PRO 881 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1su4 n HIS 882 N -0.88 0.96 -3.00 0.54 8.25 -1.26 -4.91 115.22 114.91 1su4 n HIS 882 Ca 0.01 0.30 -0.27 0.00 -0.26 0.00 0.00 57.72 57.50 1su4 n HIS 882 Cb 0.00 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.09 1su4 n HIS 882 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1su4 s PHE 883 N -3.18 3.52 -0.55 4.41 -0.12 -0.63 -5.06 117.98 116.38 1su4 s PHE 883 Ca -0.02 0.66 0.06 0.00 -0.05 0.00 0.00 56.93 57.58 1su4 s PHE 883 Cb 0.09 -2.15 0.22 0.00 -0.63 0.00 0.00 43.02 40.55 1su4 s PHE 883 CO 0.80 -0.06 0.56 -1.91 -0.05 0.00 0.00 175.22 174.56 1su4 n GLU 884 N -1.81 1.50 -0.10 1.99 2.13 -1.26 -4.86 120.64 118.22 1su4 n GLU 884 Ca -0.01 -4.00 0.00 0.00 0.66 0.00 0.00 57.16 53.81 1su4 n GLU 884 Cb 0.55 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1su4 n GLU 884 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1su4 n GLY 885 N 1.58 0.78 3.34 8.31 0.00 -1.26 -5.09 105.19 112.85 1su4 n GLY 885 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1su4 n GLY 885 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1su4 s LEU 886 N 0.00 2.24 0.26 0.99 2.34 -1.26 -5.13 118.68 118.12 1su4 s LEU 886 Ca 0.00 -0.65 -0.30 0.00 0.06 0.00 0.00 54.13 53.24 1su4 s LEU 886 Cb 0.00 -1.16 -0.09 0.00 -0.56 0.00 0.00 46.19 44.37 1su4 s LEU 886 CO 0.00 0.19 1.00 -0.62 -1.06 0.00 0.00 176.35 175.86 1su4 s ASP 887 N -1.62 7.50 0.31 1.48 -1.08 -1.26 -4.95 116.67 117.05 1su4 s ASP 887 Ca 0.11 2.07 0.06 0.00 -0.52 0.00 0.00 52.55 54.28 1su4 s ASP 887 Cb -0.10 -2.62 0.73 0.00 -1.46 0.00 0.00 42.92 39.48 1su4 s ASP 887 CO 0.04 0.04 1.80 0.00 0.52 0.00 0.00 175.17 177.57 1su4 n GLU 889 N -4.70 0.07 0.26 0.00 2.13 -1.26 -2.19 120.64 114.95 1su4 n GLU 889 Ca 0.22 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.17 1su4 n GLU 889 Cb 0.53 -1.36 0.68 0.00 0.27 0.00 0.00 31.44 31.56 1su4 n GLU 889 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1su4 h ILE 890 N 0.00 0.46 0.00 6.31 6.09 -1.31 -1.03 117.51 128.02 1su4 h ILE 890 Ca 0.00 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1su4 h ILE 890 Cb 0.00 1.46 0.00 0.00 0.47 0.00 0.00 36.82 38.75 1su4 h ILE 890 CO 0.00 0.13 0.00 2.22 -3.07 0.00 0.00 178.15 177.43 1su4 n PHE 891 N -3.46 0.73 0.98 2.19 -0.00 -0.93 -2.22 117.46 114.75 1su4 n PHE 891 Ca -0.01 0.24 0.12 0.00 -0.00 0.00 0.00 57.45 57.80 1su4 n PHE 891 Cb 0.29 -0.89 0.31 0.00 -0.00 0.00 0.00 39.48 39.19 1su4 n PHE 891 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1su4 n GLU 892 N -2.12 2.04 -1.85 3.97 1.02 -0.39 -4.95 120.64 118.35 1su4 n GLU 892 Ca 0.04 -1.55 -0.41 0.00 -0.02 0.00 0.00 57.16 55.23 1su4 n GLU 892 Cb 0.34 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1su4 n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su4 s ALA 893 N -1.78 3.57 -1.15 0.62 0.00 -0.94 -4.87 121.76 117.20 1su4 s ALA 893 Ca 0.34 1.52 0.14 0.00 0.00 0.00 0.00 51.96 53.97 1su4 s ALA 893 Cb 0.20 -3.59 0.64 0.00 0.00 0.00 0.00 23.12 20.37 1su4 s ALA 893 CO 0.30 -0.99 1.43 -0.35 0.00 0.00 0.00 175.76 176.15 1su4 n PRO 894 N 0.58 0.07 0.31 0.00 -0.04 -1.26 -3.59 135.00 131.07 1su4 n PRO 894 Ca 0.01 0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 1su4 n PRO 894 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1su4 n PRO 894 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1su4 h GLU 895 N 0.00 -1.00 0.10 0.54 4.39 -1.92 -0.18 114.58 116.50 1su4 h GLU 895 Ca 0.00 0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1su4 h GLU 895 Cb 0.20 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1su4 h GLU 895 CO 0.00 -0.67 -0.38 -1.35 -1.16 0.00 0.00 179.01 175.46 1su4 h PRO 896 N -1.04 -0.57 -0.94 2.33 0.11 -1.87 -2.15 132.00 127.86 1su4 h PRO 896 Ca -0.07 0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1su4 h PRO 896 Cb 0.89 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 1su4 h PRO 896 CO -0.05 -0.38 0.60 0.52 -0.21 0.00 0.00 178.00 178.48 1su4 h MET 897 N -0.59 0.86 0.00 1.05 2.86 -1.74 0.24 114.93 117.60 1su4 h MET 897 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1su4 h MET 897 Cb 0.64 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1su4 h MET 897 CO -0.24 0.57 -0.11 1.15 1.06 0.00 0.00 176.91 179.34 1su4 h THR 898 N 0.88 0.66 0.00 2.22 2.02 -0.41 -0.90 112.91 117.39 1su4 h THR 898 Ca 0.46 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1su4 h THR 898 Cb 0.52 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1su4 h THR 898 CO -0.22 0.10 -0.08 0.24 0.37 0.00 0.00 175.52 175.93 1su4 h MET 899 N 0.00 0.00 -0.93 6.66 2.86 -0.05 -2.66 114.93 120.81 1su4 h MET 899 Ca -0.00 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.85 1su4 h MET 899 Cb 0.26 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.80 1su4 h MET 899 CO 0.01 0.18 0.49 0.00 1.06 0.00 0.00 176.91 178.65 1su4 h ALA 900 N -0.83 1.53 -0.00 6.32 0.00 -1.08 0.33 119.26 125.52 1su4 h ALA 900 Ca -0.01 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1su4 h ALA 900 Cb 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1su4 h ALA 900 CO -0.00 -0.23 -0.80 1.25 0.00 0.00 0.00 179.25 179.46 1su4 h LEU 901 N 0.54 0.02 0.00 0.00 5.85 -1.30 -0.74 115.31 119.67 1su4 h LEU 901 Ca 0.57 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.24 1su4 h LEU 901 Cb 1.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1su4 h LEU 901 CO -0.46 0.81 -0.29 -1.28 -0.34 0.00 0.00 178.44 176.87 1su4 h SER 902 N 0.01 0.00 0.00 1.25 0.87 -0.58 -2.77 113.55 112.33 1su4 h SER 902 Ca -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1su4 h SER 902 Cb 1.41 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1su4 h SER 902 CO 0.10 0.13 -0.48 0.58 -0.53 0.00 0.00 176.83 176.64 1su4 h VAL 903 N 0.00 1.33 -0.90 2.23 2.07 -0.41 -2.67 116.25 117.89 1su4 h VAL 903 Ca -0.01 -2.18 0.23 0.00 0.82 0.00 0.00 66.70 65.57 1su4 h VAL 903 Cb 1.11 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 1su4 h VAL 903 CO 0.02 0.45 0.62 0.25 0.02 0.00 0.00 177.57 178.92 1su4 h LEU 904 N -1.00 0.21 0.00 2.57 5.85 -1.21 0.21 115.31 121.94 1su4 h LEU 904 Ca -0.13 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1su4 h LEU 904 Cb 1.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1su4 h LEU 904 CO -0.08 0.08 -0.49 0.58 -0.34 0.00 0.00 178.44 178.19 1su4 h VAL 905 N 0.21 1.47 -0.07 1.05 2.07 -1.59 -3.21 116.25 116.16 1su4 h VAL 905 Ca 0.45 -2.29 -0.09 0.00 0.82 0.00 0.00 66.70 65.58 1su4 h VAL 905 Cb 1.44 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 34.16 1su4 h VAL 905 CO -0.10 0.51 -0.39 0.74 0.02 0.00 0.00 177.57 178.35 1su4 h THR 906 N -0.98 1.29 -0.35 2.57 2.02 -1.08 -2.26 112.91 114.14 1su4 h THR 906 Ca -0.13 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 1su4 h THR 906 Cb 1.13 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1su4 h THR 906 CO -0.07 0.42 -0.28 -0.29 0.37 0.00 0.00 175.52 175.67 1su4 h ILE 907 N 0.13 1.29 -0.09 3.11 2.10 -0.77 -2.16 117.51 121.12 1su4 h ILE 907 Ca 0.01 -1.44 -0.08 0.00 1.08 0.00 0.00 64.86 64.43 1su4 h ILE 907 Cb 0.75 1.44 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1su4 h ILE 907 CO 0.06 0.47 -0.32 -0.33 -1.08 0.00 0.00 178.15 176.95 1su4 h GLU 908 N 0.58 0.17 0.00 2.19 5.08 -1.53 0.31 114.58 121.38 1su4 h GLU 908 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1su4 h GLU 908 Cb 0.85 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1su4 h GLU 908 CO 0.07 0.48 -0.00 0.52 -1.00 0.00 0.00 179.01 179.08 1su4 h MET 909 N 0.15 0.00 0.09 2.33 2.86 -1.17 -1.42 114.93 117.77 1su4 h MET 909 Ca 0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 1su4 h MET 909 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1su4 h MET 909 CO 0.05 0.00 -1.08 0.00 1.06 0.00 0.00 176.91 176.94 1su4 h ASN 911 N -0.49 0.00 0.88 0.00 -1.24 -0.08 0.30 115.58 114.95 1su4 h ASN 911 Ca -0.23 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.68 1su4 h ASN 911 Cb 1.58 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.62 1su4 h ASN 911 CO 0.04 0.00 -0.45 0.00 -1.29 0.00 0.00 177.43 175.73 1su4 h ALA 912 N 1.92 0.94 0.00 1.57 0.00 -1.35 -2.23 119.26 120.12 1su4 h ALA 912 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1su4 h ALA 912 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1su4 h ALA 912 CO -0.00 0.56 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 1su4 h LEU 913 N 0.00 0.00 0.00 0.00 3.38 -0.51 -2.48 115.31 115.70 1su4 h LEU 913 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1su4 h LEU 913 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1su4 h LEU 913 CO 0.06 0.00 -0.02 0.59 0.09 0.00 0.00 178.44 179.15 1su4 n ASN 914 N -2.87 0.61 -1.85 -0.43 3.02 -0.85 -3.50 115.26 109.39 1su4 n ASN 914 Ca 0.04 0.53 -0.01 0.00 -0.03 0.00 0.00 54.58 55.11 1su4 n ASN 914 Cb 0.46 -0.68 0.32 0.00 -0.61 0.00 0.00 39.78 39.28 1su4 n ASN 914 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1su4 n SER 915 N -2.06 4.90 0.17 6.41 7.64 -0.93 -4.19 113.62 125.56 1su4 n SER 915 Ca 0.06 -3.16 0.09 0.00 1.01 0.00 0.00 58.87 56.87 1su4 n SER 915 Cb 0.41 -0.71 0.09 0.00 -1.01 0.00 0.00 64.21 62.99 1su4 n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1su4 h LEU 916 N 2.86 0.00 -7.58 -3.43 3.38 -1.67 -3.45 115.31 105.42 1su4 h LEU 916 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1su4 h LEU 916 Cb 2.15 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.78 1su4 h LEU 916 CO 0.62 0.16 -0.13 -0.55 0.09 0.00 0.00 178.44 178.63 1su4 s SER 917 N -6.12 -0.16 -0.12 -0.43 0.15 -1.26 -4.75 113.70 101.01 1su4 s SER 917 Ca 0.05 -0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.00 1su4 s SER 917 Cb 0.06 0.47 -0.21 0.00 -1.71 0.00 0.00 66.02 64.63 1su4 s SER 917 CO 0.71 -0.87 0.72 -0.08 1.20 0.00 0.00 173.24 174.92 1su4 h GLU 918 N 2.41 -0.02 0.00 5.44 4.81 -1.90 -3.42 114.58 121.91 1su4 h GLU 918 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1su4 h GLU 918 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1su4 h GLU 918 CO 0.47 0.74 -0.09 0.09 -0.73 0.00 0.00 179.01 179.48 1su4 n ASN 919 N -4.69 0.40 -4.70 1.04 5.03 -1.26 -4.93 115.26 106.14 1su4 n ASN 919 Ca -0.08 -0.47 -0.42 0.00 0.87 0.00 0.00 54.58 54.48 1su4 n ASN 919 Cb 0.37 1.00 -0.03 0.00 -1.02 0.00 0.00 39.78 40.10 1su4 n ASN 919 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1su4 s GLN 920 N -1.11 4.42 0.45 3.52 -1.52 -1.26 -4.72 119.66 119.44 1su4 s GLN 920 Ca 0.00 1.70 -0.25 0.00 -1.95 0.00 0.00 55.36 54.86 1su4 s GLN 920 Cb 0.00 -3.42 -0.08 0.00 -0.22 0.00 0.00 33.01 29.29 1su4 s GLN 920 CO 0.01 -0.29 1.37 0.45 -0.25 0.00 0.00 175.29 176.59 1su4 s SER 921 N 1.19 5.92 0.54 5.90 0.15 -1.26 -4.70 113.70 121.45 1su4 s SER 921 Ca 0.57 2.80 0.25 0.00 0.70 0.00 0.00 55.95 60.28 1su4 s SER 921 Cb -0.27 -2.65 1.38 0.00 -1.71 0.00 0.00 66.02 62.78 1su4 s SER 921 CO 0.27 -1.13 1.75 -0.07 1.20 0.00 0.00 173.24 175.26 1su4 h LEU 922 N 2.30 0.00 -0.55 3.45 3.38 -1.92 0.76 115.31 122.73 1su4 h LEU 922 Ca -0.50 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.30 1su4 h LEU 922 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1su4 h LEU 922 CO 0.61 0.00 -0.63 -0.03 0.09 0.00 0.00 178.44 178.48 1su4 h MET 923 N 0.00 0.35 0.08 1.13 4.05 -1.98 -2.54 114.93 116.03 1su4 h MET 923 Ca 0.00 -0.25 -0.35 0.00 -0.28 0.00 0.00 59.70 58.82 1su4 h MET 923 Cb 0.56 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1su4 h MET 923 CO 0.00 0.87 -1.98 -2.13 0.23 0.00 0.00 176.91 173.90 1su4 n ARG 924 N -3.88 0.72 -3.84 0.39 3.00 0.24 -4.55 116.66 108.74 1su4 n ARG 924 Ca -0.03 0.25 -0.30 0.00 -0.00 0.00 0.00 57.85 57.77 1su4 n ARG 924 Cb 0.64 -1.71 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 1su4 n ARG 924 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1su4 s MET 925 N -2.56 2.64 0.30 -0.14 -1.94 0.08 -5.01 119.30 112.66 1su4 s MET 925 Ca -0.18 -3.28 -0.26 0.00 -1.71 0.00 0.00 55.69 50.26 1su4 s MET 925 Cb 0.07 -3.55 -0.15 0.00 2.01 0.00 0.00 34.83 33.21 1su4 s MET 925 CO 0.77 -1.27 0.64 -2.30 -0.01 0.00 0.00 175.02 172.85 1su4 n PRO 926 N 2.14 0.56 0.31 2.03 -0.02 -0.96 -4.44 135.00 134.63 1su4 n PRO 926 Ca 0.19 0.20 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1su4 n PRO 926 Cb 0.35 -1.39 1.11 0.00 -0.02 0.00 0.00 33.50 33.55 1su4 n PRO 926 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1su4 h PRO 927 N 1.18 0.00 -0.60 0.52 0.13 -1.93 -0.64 132.00 130.67 1su4 h PRO 927 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1su4 h PRO 927 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1su4 h PRO 927 CO 0.56 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.66 1su4 n TRP 928 N -2.93 0.36 0.06 1.56 2.14 -1.26 -3.53 117.44 113.83 1su4 n TRP 928 Ca -0.03 -0.14 -0.08 0.00 2.07 0.00 0.00 57.50 59.32 1su4 n TRP 928 Cb 0.08 -0.11 -0.12 0.00 -0.81 0.00 0.00 31.31 30.34 1su4 n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1su4 h VAL 929 N 0.91 1.64 -3.48 -1.67 2.07 -1.44 -3.38 116.25 110.89 1su4 h VAL 929 Ca 0.00 -3.34 -0.70 0.00 0.82 0.00 0.00 66.70 63.48 1su4 h VAL 929 Cb 0.58 2.83 -0.36 0.00 -1.52 0.00 0.00 31.29 32.82 1su4 h VAL 929 CO 0.06 0.94 -0.30 0.21 0.02 0.00 0.00 177.57 178.50 1su4 s ASN 930 N -6.72 5.40 0.23 0.57 3.84 -1.23 -4.80 114.94 112.21 1su4 s ASN 930 Ca -0.00 -3.11 -0.07 0.00 0.21 0.00 0.00 52.86 49.89 1su4 s ASN 930 Cb 0.10 -1.86 0.36 0.00 -0.55 0.00 0.00 41.25 39.29 1su4 s ASN 930 CO 0.83 -0.31 1.75 0.40 -2.79 0.00 0.00 177.10 176.98 1su4 h ILE 931 N 4.94 0.76 -0.94 -5.21 1.08 -1.85 -0.68 117.51 115.61 1su4 h ILE 931 Ca 0.03 -0.17 0.08 0.00 -0.39 0.00 0.00 64.86 64.42 1su4 h ILE 931 Cb 0.91 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 1su4 h ILE 931 CO 0.74 0.09 0.61 -0.50 -0.69 0.00 0.00 178.15 178.40 1su4 h TRP 932 N 0.49 1.07 -0.33 1.37 4.06 -1.93 -0.26 115.95 120.43 1su4 h TRP 932 Ca 0.36 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.32 1su4 h TRP 932 Cb 0.46 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1su4 h TRP 932 CO -0.15 0.53 0.14 1.25 -3.56 0.00 0.00 178.44 176.65 1su4 h LEU 933 N 1.02 0.44 -0.61 -4.49 5.85 -1.41 -1.09 115.31 115.02 1su4 h LEU 933 Ca 0.42 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1su4 h LEU 933 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1su4 h LEU 933 CO -0.17 0.48 0.34 -0.07 -0.34 0.00 0.00 178.44 178.67 1su4 h LEU 934 N 0.38 0.76 -1.35 2.25 3.38 -0.91 -0.54 115.31 119.28 1su4 h LEU 934 Ca 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1su4 h LEU 934 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1su4 h LEU 934 CO -0.01 0.62 0.36 1.23 0.09 0.00 0.00 178.44 180.73 1su4 h GLY 935 N 0.83 0.85 1.55 0.83 0.00 -0.82 -1.21 103.07 105.10 1su4 h GLY 935 Ca 0.22 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 1su4 h GLY 935 CO -0.04 0.33 -0.58 1.76 0.00 0.00 0.00 176.54 178.01 1su4 h SER 936 N 0.81 0.53 0.03 0.19 0.02 -0.61 -2.07 113.55 112.45 1su4 h SER 936 Ca 0.21 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1su4 h SER 936 Cb -0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1su4 h SER 936 CO -0.04 1.00 -0.21 0.40 -1.14 0.00 0.00 176.83 176.84 1su4 h ILE 937 N 0.36 1.23 0.24 3.27 2.04 -0.27 -1.40 117.51 122.97 1su4 h ILE 937 Ca -0.00 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1su4 h ILE 937 Cb 1.12 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1su4 h ILE 937 CO 0.10 0.33 -0.11 0.00 0.00 0.00 0.00 178.15 178.47 1su4 h LEU 939 N -0.46 -0.53 -0.74 0.00 5.85 -1.35 0.89 115.31 118.97 1su4 h LEU 939 Ca -0.03 0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1su4 h LEU 939 Cb 0.25 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1su4 h LEU 939 CO 0.05 -0.33 0.23 0.28 -0.34 0.00 0.00 178.44 178.33 1su4 h SER 940 N 0.02 1.09 -0.19 1.25 0.02 -1.28 -1.38 113.55 113.08 1su4 h SER 940 Ca 0.56 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1su4 h SER 940 Cb 1.11 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1su4 h SER 940 CO -0.91 1.01 -0.37 -0.03 -1.14 0.00 0.00 176.83 175.39 1su4 h MET 941 N 1.11 0.59 -0.09 3.45 4.05 0.16 -2.54 114.93 121.66 1su4 h MET 941 Ca 0.24 -0.38 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1su4 h MET 941 Cb 0.31 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1su4 h MET 941 CO -0.01 0.99 -0.05 0.77 0.23 0.00 0.00 176.91 178.85 1su4 h SER 942 N 0.26 -0.15 -0.76 1.39 0.02 0.19 0.40 113.55 114.89 1su4 h SER 942 Ca 0.01 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1su4 h SER 942 Cb 0.96 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 1su4 h SER 942 CO 0.08 -0.06 0.50 -0.07 -1.14 0.00 0.00 176.83 176.14 1su4 h LEU 943 N -0.04 0.74 -0.65 5.07 4.07 -1.27 0.42 115.31 123.65 1su4 h LEU 943 Ca 0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.87 1su4 h LEU 943 Cb 0.12 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1su4 h LEU 943 CO -0.12 0.49 -0.58 -0.74 -1.08 0.00 0.00 178.44 176.41 1su4 h HIS 944 N 0.85 0.36 0.31 1.13 2.76 -0.92 -0.73 115.15 118.91 1su4 h HIS 944 Ca 0.32 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1su4 h HIS 944 Cb 0.19 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1su4 h HIS 944 CO -0.00 0.80 -0.15 0.74 -1.30 0.00 0.00 177.93 178.02 1su4 h PHE 945 N 0.22 -0.38 -1.01 5.26 0.04 0.66 -2.97 116.94 118.75 1su4 h PHE 945 Ca -0.00 -0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.99 1su4 h PHE 945 Cb 1.08 0.13 -0.11 0.00 2.20 0.00 0.00 35.95 39.25 1su4 h PHE 945 CO 0.02 -0.05 0.61 1.25 -0.60 0.00 0.00 178.31 179.55 1su4 h LEU 946 N -0.78 0.65 0.00 1.54 5.85 -0.15 0.96 115.31 123.39 1su4 h LEU 946 Ca -0.04 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1su4 h LEU 946 Cb 0.51 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1su4 h LEU 946 CO 0.07 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1su4 n ILE 947 N -4.80 0.27 -0.03 4.05 0.13 -0.29 -2.64 119.36 116.05 1su4 n ILE 947 Ca 0.26 0.07 -0.03 0.00 -1.10 0.00 0.00 62.75 61.94 1su4 n ILE 947 Cb 0.73 -0.76 -0.03 0.00 -0.84 0.00 0.00 39.64 38.74 1su4 n ILE 947 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1su4 n LEU 948 N -1.18 1.43 -1.20 9.51 4.77 0.32 -2.94 117.00 127.71 1su4 n LEU 948 Ca 0.11 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1su4 n LEU 948 Cb 0.12 -0.04 0.29 0.00 -2.33 0.00 0.00 43.42 41.46 1su4 n LEU 948 CO 0.13 0.34 0.75 -1.22 -1.33 0.00 0.00 177.39 176.06 1su4 n TYR 949 N -2.41 1.12 -3.79 -1.77 4.02 -0.24 -4.06 117.16 110.04 1su4 n TYR 949 Ca -0.09 -0.65 -0.32 0.00 -0.01 0.00 0.00 57.90 56.83 1su4 n TYR 949 Cb 0.63 -0.21 -0.10 0.00 -0.02 0.00 0.00 39.34 39.64 1su4 n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1su4 s VAL 950 N -1.89 3.51 0.00 -0.72 1.01 -1.08 -5.01 120.40 116.21 1su4 s VAL 950 Ca 0.42 -3.95 0.00 0.00 0.00 0.00 0.00 61.98 58.46 1su4 s VAL 950 Cb 0.28 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1su4 s VAL 950 CO 0.19 -1.01 0.00 -0.67 0.00 0.00 0.00 175.10 173.60 1su4 n ASP 951 N 2.32 0.00 -0.34 3.32 2.03 -1.26 0.40 116.55 123.02 1su4 n ASP 951 Ca 0.18 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.46 1su4 n ASP 951 Cb 0.36 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.85 1su4 n ASP 951 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1su4 h PRO 952 N 0.00 1.23 0.63 -0.67 0.11 -1.97 -3.32 132.00 128.03 1su4 h PRO 952 Ca 0.00 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1su4 h PRO 952 Cb 0.00 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 30.85 1su4 h PRO 952 CO 0.00 0.85 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.26 1su4 h LEU 953 N 1.26 -0.72 -1.57 2.35 4.07 -0.37 -3.21 115.31 117.12 1su4 h LEU 953 Ca 0.33 -0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.42 1su4 h LEU 953 Cb -0.08 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1su4 h LEU 953 CO -0.07 -0.38 0.69 1.55 -1.08 0.00 0.00 178.44 179.16 1su4 h PRO 954 N -1.09 0.00 0.02 1.13 0.13 -1.62 0.50 132.00 131.07 1su4 h PRO 954 Ca -0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.80 1su4 h PRO 954 Cb 0.70 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 1su4 h PRO 954 CO 0.14 0.00 -1.25 1.98 -0.23 0.00 0.00 178.00 178.65 1su4 h MET 955 N 0.00 0.05 0.35 0.86 4.05 -1.68 0.35 114.93 118.91 1su4 h MET 955 Ca 0.24 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1su4 h MET 955 Cb 1.61 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 1su4 h MET 955 CO -0.00 0.91 -0.17 0.82 0.23 0.00 0.00 176.91 178.70 1su4 h ILE 956 N 0.01 0.64 -0.11 1.77 2.04 0.01 -3.10 117.51 118.77 1su4 h ILE 956 Ca -0.11 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1su4 h ILE 956 Cb 1.87 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1su4 h ILE 956 CO 0.13 0.09 0.00 0.49 0.00 0.00 0.00 178.15 178.86 1su4 n PHE 957 N -5.18 0.21 -3.31 1.37 3.01 -1.08 -4.91 117.46 107.57 1su4 n PHE 957 Ca -0.10 -0.09 -0.14 0.00 1.01 0.00 0.00 57.45 58.13 1su4 n PHE 957 Cb 0.27 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 39.72 1su4 n PHE 957 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1su4 n LYS 958 N -0.08 -1.65 -3.25 -1.08 3.00 -1.17 -4.82 118.16 109.11 1su4 n LYS 958 Ca 0.04 1.01 -0.12 0.00 -0.00 0.00 0.00 58.31 59.24 1su4 n LYS 958 Cb 0.19 -5.20 -0.04 0.00 0.00 0.00 0.00 35.03 29.98 1su4 n LYS 958 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1su4 n LEU 959 N -2.84 0.00 -3.57 3.14 4.77 0.12 -4.70 117.00 113.92 1su4 n LEU 959 Ca -0.07 -1.70 -0.01 0.00 -0.03 0.00 0.00 56.01 54.20 1su4 n LEU 959 Cb 0.58 0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 42.35 1su4 n LEU 959 CO 0.59 -0.27 0.44 -0.75 -1.33 0.00 0.00 177.39 176.06 1su4 s LYS 960 N -2.78 0.48 0.08 3.23 2.20 -1.26 -4.56 119.74 117.12 1su4 s LYS 960 Ca 0.16 1.09 -0.37 0.00 -0.36 0.00 0.00 55.97 56.50 1su4 s LYS 960 Cb 0.01 0.53 -0.17 0.00 -1.51 0.00 0.00 37.83 36.69 1su4 s LYS 960 CO 0.12 -0.15 1.29 0.00 -0.36 0.00 0.00 175.35 176.25 1su4 n ALA 961 N 4.92 -1.30 -2.80 3.13 0.00 -1.26 -4.96 120.51 118.24 1su4 n ALA 961 Ca -0.13 0.52 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 1su4 n ALA 961 Cb 0.53 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.87 1su4 n ALA 961 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1su4 s LEU 962 N 0.44 4.03 0.74 0.00 0.05 -1.26 -5.10 118.68 117.58 1su4 s LEU 962 Ca 0.85 0.27 -0.11 0.00 0.05 0.00 0.00 54.13 55.19 1su4 s LEU 962 Cb -0.99 -2.12 0.03 0.00 -2.05 0.00 0.00 46.19 41.06 1su4 s LEU 962 CO 0.48 0.34 1.07 -0.62 -0.55 0.00 0.00 176.35 177.08 1su4 s ASP 963 N -1.30 5.01 0.64 1.48 2.15 -1.26 -4.73 116.67 118.66 1su4 s ASP 963 Ca 0.18 1.51 0.15 0.00 0.43 0.00 0.00 52.55 54.83 1su4 s ASP 963 Cb -0.12 -2.33 0.64 0.00 -0.30 0.00 0.00 42.92 40.81 1su4 s ASP 963 CO 0.08 -1.66 1.28 0.25 -0.17 0.00 0.00 175.17 174.95 1su4 h LEU 964 N -0.87 0.00 0.12 -1.34 5.85 -2.00 0.89 115.31 117.95 1su4 h LEU 964 Ca -0.45 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 57.98 1su4 h LEU 964 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1su4 h LEU 964 CO 0.57 0.00 -1.45 0.74 -0.34 0.00 0.00 178.44 177.96 1su4 h THR 965 N 0.00 1.25 0.00 1.05 2.02 -2.01 -3.26 112.91 111.96 1su4 h THR 965 Ca 0.20 -2.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.44 1su4 h THR 965 Cb 2.13 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 71.34 1su4 h THR 965 CO -0.00 0.83 -0.30 1.56 0.37 0.00 0.00 175.52 177.98 1su4 h GLN 966 N 0.07 0.00 -0.06 6.66 4.20 0.48 -3.28 115.11 123.17 1su4 h GLN 966 Ca -0.21 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.34 1su4 h GLN 966 Cb 2.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.79 1su4 h GLN 966 CO 0.17 0.30 -0.57 -1.49 -0.67 0.00 0.00 178.83 176.57 1su4 h TRP 967 N 0.00 0.70 0.00 2.96 4.06 -1.55 -2.95 115.95 119.17 1su4 h TRP 967 Ca -0.00 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1su4 h TRP 967 Cb 1.19 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1su4 h TRP 967 CO 0.00 1.13 0.00 1.28 -3.56 0.00 0.00 178.44 177.29 1su4 n LEU 968 N -4.20 0.58 0.21 -4.49 4.77 -1.23 0.66 117.00 113.31 1su4 n LEU 968 Ca -0.09 0.74 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1su4 n LEU 968 Cb 0.64 -0.78 0.15 0.00 -2.33 0.00 0.00 43.42 41.11 1su4 n LEU 968 CO 0.47 -0.87 0.76 -0.03 -1.33 0.00 0.00 177.39 176.39 1su4 h MET 969 N 0.00 0.00 0.01 3.23 4.05 -1.58 -2.50 114.93 118.15 1su4 h MET 969 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1su4 h MET 969 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1su4 h MET 969 CO 0.00 0.03 -0.01 0.28 0.23 0.00 0.00 176.91 177.44 1su4 h VAL 970 N 0.00 1.49 0.02 -5.77 2.07 0.21 -3.16 116.25 111.11 1su4 h VAL 970 Ca -0.00 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.60 1su4 h VAL 970 Cb 1.02 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 1su4 h VAL 970 CO 0.00 0.47 -0.20 -0.07 0.02 0.00 0.00 177.57 177.80 1su4 h LEU 971 N -0.91 -0.57 0.00 2.57 4.07 -1.51 1.16 115.31 120.12 1su4 h LEU 971 Ca -0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1su4 h LEU 971 Cb 0.79 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1su4 h LEU 971 CO 0.00 -0.27 0.00 0.29 -1.08 0.00 0.00 178.44 177.39 1su4 n LYS 972 N -5.33 0.01 -0.00 1.13 5.02 -0.94 0.17 118.16 118.21 1su4 n LYS 972 Ca -0.05 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1su4 n LYS 972 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1su4 n LYS 972 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1su4 n ILE 973 N -1.32 0.00 -0.13 -0.18 0.00 0.21 -4.74 119.36 113.20 1su4 n ILE 973 Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 62.75 62.31 1su4 n ILE 973 Cb 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 39.64 40.19 1su4 n ILE 973 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1su4 n SER 974 N -1.39 1.95 -0.19 9.51 7.64 0.38 -4.56 113.62 126.97 1su4 n SER 974 Ca -0.00 0.14 0.21 0.00 1.01 0.00 0.00 58.87 60.23 1su4 n SER 974 Cb 0.05 -0.63 0.58 0.00 -1.01 0.00 0.00 64.21 63.20 1su4 n SER 974 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1su4 h LEU 975 N -0.58 0.27 0.00 -3.43 -0.00 -0.49 -0.83 115.31 110.26 1su4 h LEU 975 Ca -0.63 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 1su4 h LEU 975 Cb 1.70 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 1su4 h LEU 975 CO -0.28 0.12 0.00 -0.81 -0.00 0.00 0.00 178.44 177.46 1su4 n PRO 976 N -4.44 0.12 0.10 1.13 -0.04 -1.26 -1.37 135.00 129.23 1su4 n PRO 976 Ca 0.17 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1su4 n PRO 976 Cb 0.72 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.76 1su4 n PRO 976 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1su4 h VAL 977 N 0.00 1.46 0.05 0.52 3.04 -1.43 -1.73 116.25 118.16 1su4 h VAL 977 Ca 0.00 -2.33 -0.00 0.00 -1.01 0.00 0.00 66.70 63.36 1su4 h VAL 977 Cb 0.06 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1su4 h VAL 977 CO 0.00 0.68 -0.02 0.40 -1.01 0.00 0.00 177.57 177.61 1su4 h ILE 978 N 0.09 1.24 -0.56 3.17 1.08 -1.42 -2.91 117.51 118.20 1su4 h ILE 978 Ca -0.02 -0.98 0.10 0.00 -0.39 0.00 0.00 64.86 63.57 1su4 h ILE 978 Cb 1.27 1.88 -0.08 0.00 -3.07 0.00 0.00 36.82 36.82 1su4 h ILE 978 CO 0.10 0.24 0.13 1.23 -0.69 0.00 0.00 178.15 179.17 1su4 h GLY 979 N -0.50 0.71 0.83 5.37 0.00 -1.54 0.47 103.07 108.41 1su4 h GLY 979 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1su4 h GLY 979 CO 0.01 -0.08 0.12 -2.00 0.00 0.00 0.00 176.54 174.59 1su4 h LEU 980 N 0.27 0.17 -0.19 3.11 5.85 -1.34 -1.93 115.31 121.25 1su4 h LEU 980 Ca 0.29 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.94 1su4 h LEU 980 Cb 0.40 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1su4 h LEU 980 CO -0.36 0.13 -0.22 -0.78 -0.34 0.00 0.00 178.44 176.87 1su4 h ASP 981 N 0.26 0.52 -0.74 1.25 -0.00 -1.23 -2.81 116.42 113.68 1su4 h ASP 981 Ca 0.12 -0.50 0.21 0.00 -0.00 0.00 0.00 57.03 56.87 1su4 h ASP 981 Cb 0.06 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 39.21 1su4 h ASP 981 CO -0.10 0.91 0.62 -0.08 -0.00 0.00 0.00 179.24 180.59 1su4 h GLU 982 N 0.14 0.00 0.02 0.28 4.57 0.19 0.34 114.58 120.12 1su4 h GLU 982 Ca 0.03 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1su4 h GLU 982 Cb 0.78 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1su4 h GLU 982 CO 0.05 0.00 -0.22 0.82 -1.18 0.00 0.00 179.01 178.48 1su4 h ILE 983 N 0.00 1.63 -0.70 2.32 2.04 -1.14 -2.90 117.51 118.76 1su4 h ILE 983 Ca 0.35 -2.15 0.04 0.00 1.00 0.00 0.00 64.86 64.10 1su4 h ILE 983 Cb 1.59 3.05 -0.04 0.00 -0.74 0.00 0.00 36.82 40.68 1su4 h ILE 983 CO -0.00 0.58 0.46 -0.07 0.00 0.00 0.00 178.15 179.12 1su4 h LEU 984 N -0.68 0.72 -1.22 1.44 3.38 -0.51 0.94 115.31 119.39 1su4 h LEU 984 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1su4 h LEU 984 Cb 1.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1su4 h LEU 984 CO 0.04 0.49 0.20 0.11 0.09 0.00 0.00 178.44 179.38 1su4 h LYS 985 N 0.84 0.75 -0.34 1.13 1.57 -0.50 -1.02 116.57 118.99 1su4 h LYS 985 Ca 0.28 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1su4 h LYS 985 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1su4 h LYS 985 CO -0.08 0.62 -0.06 0.35 -0.57 0.00 0.00 179.45 179.71 1su4 h PHE 986 N 0.74 0.71 -0.53 -1.35 3.57 -0.66 0.49 116.94 119.90 1su4 h PHE 986 Ca 0.18 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1su4 h PHE 986 Cb 0.15 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1su4 h PHE 986 CO 0.01 0.79 0.25 0.82 -2.23 0.00 0.00 178.31 177.95 1su4 h ILE 987 N 0.42 0.92 0.00 1.41 2.04 -0.29 -1.94 117.51 120.08 1su4 h ILE 987 Ca 0.09 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1su4 h ILE 987 Cb 0.55 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1su4 h ILE 987 CO 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 178.15 178.21 1su4 h ALA 988 N 1.30 0.00 0.00 1.87 0.00 -1.14 0.67 119.26 121.96 1su4 h ALA 988 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1su4 h ALA 988 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1su4 h ALA 988 CO -0.18 -0.04 0.00 -2.13 0.00 0.00 0.00 179.25 176.90 1su4 n ARG 989 N -4.64 0.00 0.00 0.00 0.63 0.15 -1.34 116.66 111.47 1su4 n ARG 989 Ca -0.10 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1su4 n ARG 989 Cb 0.44 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1su4 n ARG 989 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1su4 n ASN 990 N -1.48 0.53 0.03 6.15 3.02 -0.73 -4.75 115.26 118.03 1su4 n ASN 990 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 1su4 n ASN 990 Cb 0.04 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 1su4 n ASN 990 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1su4 n TYR 991 N -2.73 0.33 -0.10 3.10 9.36 0.20 -4.55 117.16 122.76 1su4 n TYR 991 Ca 0.00 0.10 -0.23 0.00 3.32 0.00 0.00 57.90 61.09 1su4 n TYR 991 Cb 0.35 -0.56 -0.12 0.00 -0.63 0.00 0.00 39.34 38.39 1su4 n TYR 991 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1su4 n LEU 992 N -2.22 2.48 -4.19 2.98 4.77 -0.95 -4.94 117.00 114.94 1su4 n LEU 992 Ca -0.01 0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 1su4 n LEU 992 Cb 0.50 -0.93 -0.16 0.00 -2.33 0.00 0.00 43.42 40.50 1su4 n LEU 992 CO 0.42 0.74 -0.53 -1.83 -1.33 0.00 0.00 177.39 174.86 1su4 s GLU 993 N -2.50 2.14 0.00 3.23 -1.05 -0.45 -5.06 118.70 115.01 1su4 s GLU 993 Ca -0.33 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1su4 s GLU 993 Cb 0.10 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.96 1su4 s GLU 993 CO 0.60 0.30 0.00 0.41 0.95 0.00 0.00 175.26 177.52