#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 s PRO 2 N 0.00 3.25 -0.13 1.96 0.04 -1.26 -5.03 135.00 133.83 1rw5 s PRO 2 Ca 0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1rw5 s PRO 2 Cb 0.00 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1rw5 s PRO 2 CO 0.00 -1.00 -0.15 0.42 0.04 0.00 0.00 177.00 176.31 1rw5 s ILE 3 N -1.51 2.87 -0.48 0.56 1.09 -1.26 -5.05 121.20 117.42 1rw5 s ILE 3 Ca 0.72 -0.72 0.07 0.00 -1.10 0.00 0.00 60.65 59.61 1rw5 s ILE 3 Cb -0.32 -2.19 0.18 0.00 -1.06 0.00 0.00 42.46 39.07 1rw5 s ILE 3 CO 0.37 0.53 0.66 0.00 -0.10 0.00 0.00 174.94 176.40 1rw5 s PRO 5 N 1.05 4.26 5.59 0.00 0.04 -1.26 -4.74 135.00 139.94 1rw5 s PRO 5 Ca 0.27 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1rw5 s PRO 5 Cb -0.01 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1rw5 s PRO 5 CO -0.06 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1rw5 n GLY 6 N 3.62 3.17 3.22 0.56 0.00 -1.26 -4.16 105.19 110.35 1rw5 n GLY 6 Ca 0.13 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1rw5 n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rw5 s GLY 7 N -0.16 1.71 -0.08 -0.02 0.00 -1.26 -5.09 107.32 102.42 1rw5 s GLY 7 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1rw5 s GLY 7 CO 0.00 0.61 0.03 0.00 0.00 0.00 0.00 173.10 173.75 1rw5 s ALA 8 N 1.34 3.42 0.38 3.20 0.00 -1.26 -4.98 121.76 123.86 1rw5 s ALA 8 Ca -0.01 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1rw5 s ALA 8 Cb -0.18 -1.57 0.77 0.00 0.00 0.00 0.00 23.12 22.13 1rw5 s ALA 8 CO -0.02 0.61 2.01 0.00 0.00 0.00 0.00 175.76 178.36 1rw5 h ALA 9 N 5.00 1.68 -0.81 0.00 0.00 -1.98 0.32 119.26 123.46 1rw5 h ALA 9 Ca -0.51 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 1rw5 h ALA 9 Cb 1.20 -0.20 -0.28 0.00 0.00 0.00 0.00 17.79 18.51 1rw5 h ALA 9 CO 0.56 0.25 0.32 2.89 0.00 0.00 0.00 179.25 183.27 1rw5 n ARG 10 N -4.46 2.56 0.10 0.00 1.85 -1.26 -4.74 116.66 110.71 1rw5 n ARG 10 Ca 0.07 -3.36 -0.14 0.00 -1.00 0.00 0.00 57.85 53.42 1rw5 n ARG 10 Cb 0.13 -2.16 -0.07 0.00 -1.05 0.00 0.00 32.46 29.31 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rw5 s GLN 12 N -5.93 1.72 0.08 0.00 -0.21 -1.26 -4.85 119.66 109.22 1rw5 s GLN 12 Ca -0.16 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1rw5 s GLN 12 Cb 0.08 -1.62 -0.03 0.00 1.00 0.00 0.00 33.01 32.43 1rw5 s GLN 12 CO 0.64 -0.16 -0.09 0.14 -2.12 0.00 0.00 175.29 173.69 1rw5 s VAL 13 N 1.33 0.77 0.19 1.09 -7.23 -1.26 -5.13 120.40 110.16 1rw5 s VAL 13 Ca -0.01 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 1rw5 s VAL 13 Cb -0.14 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 1rw5 s VAL 13 CO -0.05 -0.55 0.96 -0.89 -0.31 0.00 0.00 175.10 174.26 1rw5 s THR 14 N -2.30 4.23 0.26 5.32 2.01 -1.26 -4.90 115.64 119.00 1rw5 s THR 14 Ca 0.02 2.06 -0.02 0.00 0.31 0.00 0.00 61.69 64.05 1rw5 s THR 14 Cb -0.04 -4.31 0.25 0.00 0.01 0.00 0.00 72.50 68.41 1rw5 s THR 14 CO -0.01 0.42 1.85 -0.07 -0.69 0.00 0.00 174.62 176.12 1rw5 h LEU 15 N 4.75 0.89 -0.08 4.42 3.38 -2.00 0.10 115.31 126.77 1rw5 h LEU 15 Ca -0.44 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1rw5 h LEU 15 Cb 1.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1rw5 h LEU 15 CO 0.70 0.53 0.03 -0.09 0.09 0.00 0.00 178.44 179.69 1rw5 h ARG 16 N 1.00 0.13 0.23 1.13 2.43 -1.93 0.16 114.38 117.53 1rw5 h ARG 16 Ca 0.43 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1rw5 h ARG 16 Cb 0.31 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1rw5 h ARG 16 CO -0.22 0.27 -0.11 0.22 -1.51 0.00 0.00 179.97 178.62 1rw5 h ASP 17 N -0.04 -0.26 -0.64 -3.80 3.58 -1.76 0.14 116.42 113.64 1rw5 h ASP 17 Ca 0.03 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1rw5 h ASP 17 Cb 0.20 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1rw5 h ASP 17 CO -0.00 -0.03 0.27 0.25 -2.88 0.00 0.00 179.24 176.84 1rw5 h LEU 18 N -0.50 0.87 -0.66 2.28 7.12 -0.85 -1.98 115.31 121.60 1rw5 h LEU 18 Ca -0.03 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1rw5 h LEU 18 Cb 0.37 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.24 1rw5 h LEU 18 CO 0.05 0.80 0.39 0.15 -0.13 0.00 0.00 178.44 179.69 1rw5 h PHE 19 N 0.89 0.89 -0.69 1.25 3.57 -0.61 -0.49 116.94 121.74 1rw5 h PHE 19 Ca 0.21 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1rw5 h PHE 19 Cb 0.19 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1rw5 h PHE 19 CO 0.01 0.61 0.46 -0.44 -2.23 0.00 0.00 178.31 176.72 1rw5 h ASP 20 N 0.90 0.76 -0.25 0.41 3.32 -0.52 0.17 116.42 121.21 1rw5 h ASP 20 Ca 0.24 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1rw5 h ASP 20 Cb -0.00 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1rw5 h ASP 20 CO -0.04 0.54 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.63 1rw5 h ARG 21 N 0.89 0.65 -0.37 3.56 2.43 -0.59 -2.26 114.38 118.68 1rw5 h ARG 21 Ca 0.26 -0.36 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1rw5 h ARG 21 Cb -0.03 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1rw5 h ARG 21 CO -0.07 0.97 -0.02 0.00 -1.51 0.00 0.00 179.97 179.34 1rw5 h ALA 22 N 0.67 1.26 -0.58 2.80 0.00 -0.33 0.73 119.26 123.81 1rw5 h ALA 22 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1rw5 h ALA 22 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1rw5 h ALA 22 CO 0.07 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.07 1rw5 h VAL 23 N 0.57 1.27 0.16 0.00 2.07 -0.56 -2.44 116.25 117.32 1rw5 h VAL 23 Ca 0.12 -1.17 -0.30 0.00 0.82 0.00 0.00 66.70 66.17 1rw5 h VAL 23 Cb 0.40 0.87 0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1rw5 h VAL 23 CO 0.02 0.42 -1.30 0.58 0.02 0.00 0.00 177.57 177.30 1rw5 h VAL 24 N 0.92 1.38 -0.69 2.57 2.07 -0.96 -3.27 116.25 118.27 1rw5 h VAL 24 Ca 0.16 -2.78 0.09 0.00 0.82 0.00 0.00 66.70 64.99 1rw5 h VAL 24 Cb 0.58 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.20 1rw5 h VAL 24 CO 0.03 0.82 0.46 0.25 0.02 0.00 0.00 177.57 179.15 1rw5 h LEU 25 N 0.15 0.54 -1.62 2.57 5.85 0.56 -0.32 115.31 123.03 1rw5 h LEU 25 Ca -0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1rw5 h LEU 25 Cb 2.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 1rw5 h LEU 25 CO 0.23 0.33 0.25 0.28 -0.34 0.00 0.00 178.44 179.19 1rw5 h SER 26 N 0.60 0.44 0.33 1.25 0.02 -1.48 -1.34 113.55 113.36 1rw5 h SER 26 Ca 0.31 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1rw5 h SER 26 Cb 0.43 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1rw5 h SER 26 CO -0.10 0.32 -0.65 0.45 -1.14 0.00 0.00 176.83 175.71 1rw5 h HIS 27 N 0.51 0.38 -0.16 3.45 3.86 -1.19 -2.77 115.15 119.23 1rw5 h HIS 27 Ca 0.14 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rw5 h HIS 27 Cb -0.05 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1rw5 h HIS 27 CO 0.00 0.85 0.11 -0.92 0.86 0.00 0.00 177.93 178.83 1rw5 h TYR 28 N 0.21 0.20 -0.31 2.45 3.20 -1.05 -1.03 116.97 120.65 1rw5 h TYR 28 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1rw5 h TYR 28 Cb 1.18 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1rw5 h TYR 28 CO 0.03 0.13 0.16 0.82 -1.64 0.00 0.00 178.16 177.66 1rw5 h ILE 29 N 0.22 1.10 -0.43 1.81 2.04 -1.46 -0.29 117.51 120.50 1rw5 h ILE 29 Ca 0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1rw5 h ILE 29 Cb -0.02 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1rw5 h ILE 29 CO -0.01 0.11 0.26 -0.74 0.00 0.00 0.00 178.15 177.77 1rw5 h HIS 30 N 0.43 0.56 -0.64 1.37 2.76 -0.94 0.49 115.15 119.19 1rw5 h HIS 30 Ca 0.11 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1rw5 h HIS 30 Cb 0.02 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1rw5 h HIS 30 CO 0.00 0.39 0.23 -0.91 -1.30 0.00 0.00 177.93 176.34 1rw5 h ASN 31 N 0.57 0.90 0.45 3.26 -0.26 -0.11 0.49 115.58 120.88 1rw5 h ASN 31 Ca 0.15 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 1rw5 h ASN 31 Cb -0.01 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 1rw5 h ASN 31 CO -0.03 0.85 -0.22 -0.07 -1.06 0.00 0.00 177.43 176.91 1rw5 h LEU 32 N 0.91 -0.51 -1.37 1.61 3.38 -0.32 0.28 115.31 119.29 1rw5 h LEU 32 Ca 0.21 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rw5 h LEU 32 Cb 0.25 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1rw5 h LEU 32 CO -0.01 -0.25 0.43 0.28 0.09 0.00 0.00 178.44 178.98 1rw5 h SER 33 N -0.76 0.73 0.49 -0.43 0.02 0.07 0.84 113.55 114.52 1rw5 h SER 33 Ca -0.06 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1rw5 h SER 33 Cb 0.54 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1rw5 h SER 33 CO 0.10 0.52 -0.24 -1.28 -1.14 0.00 0.00 176.83 174.80 1rw5 h SER 34 N 0.86 -0.56 -0.41 3.07 0.87 0.33 -1.26 113.55 116.45 1rw5 h SER 34 Ca 0.24 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1rw5 h SER 34 Cb -0.07 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1rw5 h SER 34 CO -0.06 -0.31 -0.13 -0.33 -0.53 0.00 0.00 176.83 175.47 1rw5 h GLU 35 N -0.85 0.81 -0.19 2.24 5.08 -0.34 0.39 114.58 121.72 1rw5 h GLU 35 Ca -0.07 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1rw5 h GLU 35 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1rw5 h GLU 35 CO 0.11 0.95 0.04 1.98 -1.00 0.00 0.00 179.01 181.09 1rw5 h MET 36 N 0.62 0.11 -0.23 2.33 4.05 0.61 0.23 114.93 122.64 1rw5 h MET 36 Ca 0.10 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.39 1rw5 h MET 36 Cb 0.67 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1rw5 h MET 36 CO 0.05 0.07 -0.31 0.35 0.23 0.00 0.00 176.91 177.30 1rw5 h PHE 37 N 0.12 0.77 -0.99 1.39 3.57 -1.16 -2.90 116.94 117.73 1rw5 h PHE 37 Ca 0.08 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1rw5 h PHE 37 Cb 0.08 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1rw5 h PHE 37 CO -0.14 0.99 0.65 0.77 -2.23 0.00 0.00 178.31 178.35 1rw5 h SER 38 N 0.33 1.11 -0.59 0.41 0.02 0.14 0.93 113.55 115.90 1rw5 h SER 38 Ca 0.03 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1rw5 h SER 38 Cb 0.89 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1rw5 h SER 38 CO 0.07 0.78 0.28 -0.33 -1.14 0.00 0.00 176.83 176.49 1rw5 h GLU 39 N 1.29 0.89 0.07 3.45 5.08 -0.52 0.58 114.58 125.43 1rw5 h GLU 39 Ca 0.38 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1rw5 h GLU 39 Cb -0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1rw5 h GLU 39 CO -0.11 0.71 -0.03 0.35 -1.00 0.00 0.00 179.01 178.93 1rw5 h PHE 40 N 0.88 -0.09 -1.00 4.33 3.57 -0.95 -2.45 116.94 121.23 1rw5 h PHE 40 Ca 0.21 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.91 1rw5 h PHE 40 Cb 0.13 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.79 1rw5 h PHE 40 CO 0.01 0.47 0.61 0.22 -2.23 0.00 0.00 178.31 177.40 1rw5 h ASP 41 N -0.88 0.74 -0.12 0.41 1.82 1.00 0.28 116.42 119.66 1rw5 h ASP 41 Ca -0.01 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1rw5 h ASP 41 Cb 0.60 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1rw5 h ASP 41 CO 0.02 0.25 0.00 0.29 -1.61 0.00 0.00 179.24 178.19 1rw5 n LYS 42 N -4.74 1.77 -0.03 0.28 4.76 0.18 -1.41 118.16 118.97 1rw5 n LYS 42 Ca 0.23 -1.15 -0.06 0.00 -2.87 0.00 0.00 58.31 54.46 1rw5 n LYS 42 Cb 0.60 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 1rw5 n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1rw5 n ARG 43 N 0.37 0.29 0.05 1.97 0.63 0.85 -4.32 116.66 116.50 1rw5 n ARG 43 Ca 0.17 0.12 0.07 0.00 -0.92 0.00 0.00 57.85 57.30 1rw5 n ARG 43 Cb 0.36 -1.01 -0.07 0.00 0.45 0.00 0.00 32.46 32.19 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1rw5 n TYR 44 N -3.98 0.66 -1.39 -0.14 4.02 -0.44 -4.28 117.16 111.61 1rw5 n TYR 44 Ca -0.11 0.20 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 1rw5 n TYR 44 Cb 0.34 -0.87 0.17 0.00 -0.02 0.00 0.00 39.34 38.96 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1rw5 n THR 45 N -2.62 1.98 -1.57 -0.72 -2.24 -1.17 -4.86 114.28 103.08 1rw5 n THR 45 Ca -0.05 -2.70 -0.13 0.00 -2.27 0.00 0.00 64.05 58.90 1rw5 n THR 45 Cb 0.66 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1rw5 n THR 45 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rw5 s HIS 46 N -2.95 1.13 -0.90 4.78 2.46 -0.50 -2.31 115.29 117.01 1rw5 s HIS 46 Ca 0.34 2.02 -0.04 0.00 0.47 0.00 0.00 55.06 57.86 1rw5 s HIS 46 Cb 0.32 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 1rw5 s HIS 46 CO -0.03 -1.54 0.52 0.41 -2.47 0.00 0.00 174.74 171.63 1rw5 n GLY 47 N 6.81 -0.01 0.36 1.59 0.00 -1.26 -4.89 105.19 107.79 1rw5 n GLY 47 Ca 0.47 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.40 1rw5 n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rw5 h ARG 48 N -1.19 0.72 0.00 1.61 9.65 -1.79 -3.46 114.38 119.92 1rw5 h ARG 48 Ca -0.33 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1rw5 h ARG 48 Cb 1.22 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1rw5 h ARG 48 CO 0.34 0.47 0.00 0.41 2.80 0.00 0.00 179.97 184.00 1rw5 n GLY 49 N -1.44 3.19 0.85 2.80 0.00 -1.26 -4.88 105.19 104.44 1rw5 n GLY 49 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1rw5 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw5 n PHE 50 N -1.67 0.72 -4.37 1.61 -1.74 -1.26 -4.99 117.46 105.76 1rw5 n PHE 50 Ca 0.00 -0.59 -0.27 0.00 -0.56 0.00 0.00 57.45 56.02 1rw5 n PHE 50 Cb 0.00 -0.11 -0.13 0.00 1.52 0.00 0.00 39.48 40.76 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rw5 s ILE 51 N -1.49 2.14 0.02 1.97 -4.36 -1.26 -5.13 121.20 113.09 1rw5 s ILE 51 Ca 0.32 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1rw5 s ILE 51 Cb 0.20 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.97 1rw5 s ILE 51 CO 0.16 0.00 0.00 0.28 0.24 0.00 0.00 174.94 175.63 1rw5 s THR 52 N -1.23 0.10 0.28 8.37 -1.32 -1.26 -4.99 115.64 115.59 1rw5 s THR 52 Ca 0.14 -0.81 -0.01 0.00 -1.21 0.00 0.00 61.69 59.80 1rw5 s THR 52 Cb -0.09 -0.27 0.13 0.00 -1.51 0.00 0.00 72.50 70.76 1rw5 s THR 52 CO 0.06 -0.44 1.80 0.11 -2.21 0.00 0.00 174.62 173.93 1rw5 h LYS 53 N 4.69 0.77 -6.24 7.08 1.57 -2.03 -3.39 116.57 119.03 1rw5 h LYS 53 Ca -0.31 -0.18 -0.59 0.00 -1.87 0.00 0.00 60.65 57.70 1rw5 h LYS 53 Cb 1.21 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.32 1rw5 h LYS 53 CO 0.42 0.75 0.72 0.00 -0.57 0.00 0.00 179.45 180.77 1rw5 s ALA 54 N -5.06 3.14 -0.00 3.86 0.00 -1.26 -5.01 121.76 117.43 1rw5 s ALA 54 Ca -0.09 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1rw5 s ALA 54 Cb 0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1rw5 s ALA 54 CO 0.80 -2.35 -0.21 0.42 0.00 0.00 0.00 175.76 174.43 1rw5 s ILE 55 N 4.22 2.56 -0.40 0.00 1.01 -1.26 -5.00 121.20 122.31 1rw5 s ILE 55 Ca 0.38 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1rw5 s ILE 55 Cb -0.10 -1.99 0.59 0.00 0.01 0.00 0.00 42.46 40.97 1rw5 s ILE 55 CO 0.25 0.48 1.52 -3.20 0.00 0.00 0.00 174.94 173.98 1rw5 n ASN 56 N 2.05 4.31 -4.46 3.58 5.15 -1.26 -4.90 115.26 119.73 1rw5 n ASN 56 Ca -0.16 -2.85 -0.31 0.00 -0.60 0.00 0.00 54.58 50.66 1rw5 n ASN 56 Cb 0.52 -0.67 -0.13 0.00 -0.53 0.00 0.00 39.78 38.97 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1rw5 s SER 57 N -0.63 3.80 0.00 1.20 1.04 -1.26 -5.09 113.70 112.76 1rw5 s SER 57 Ca 0.42 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1rw5 s SER 57 Cb 0.33 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1rw5 s SER 57 CO 0.11 0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.59 1rw5 h HIS 59 N 0.00 0.82 0.00 0.00 3.86 -1.98 -0.33 115.15 117.52 1rw5 h HIS 59 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1rw5 h HIS 59 Cb 0.00 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1rw5 h HIS 59 CO 0.00 0.40 0.00 0.25 0.86 0.00 0.00 177.93 179.44 1rw5 n THR 60 N -4.71 0.95 0.18 2.45 -2.24 -1.26 -2.80 114.28 106.85 1rw5 n THR 60 Ca 0.10 0.24 0.15 0.00 -2.27 0.00 0.00 64.05 62.27 1rw5 n THR 60 Cb 0.18 -1.00 0.74 0.00 -2.10 0.00 0.00 70.33 68.15 1rw5 n THR 60 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rw5 h SER 61 N 0.00 0.00 0.10 3.42 4.64 -1.45 0.98 113.55 121.25 1rw5 h SER 61 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rw5 h SER 61 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1rw5 h SER 61 CO 0.00 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 176.69 1rw5 h SER 62 N 0.00 0.00 -4.10 4.97 4.64 -1.70 -3.43 113.55 113.93 1rw5 h SER 62 Ca 0.09 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.88 1rw5 h SER 62 Cb 0.42 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.63 1rw5 h SER 62 CO -0.00 0.04 0.47 -0.76 -0.87 0.00 0.00 176.83 175.71 1rw5 s LEU 63 N -7.59 3.65 -0.88 5.97 2.01 0.34 -4.88 118.68 117.29 1rw5 s LEU 63 Ca -0.04 2.39 -0.06 0.00 0.01 0.00 0.00 54.13 56.43 1rw5 s LEU 63 Cb 0.15 -4.60 -0.00 0.00 0.01 0.00 0.00 46.19 41.75 1rw5 s LEU 63 CO 0.56 -1.63 2.82 0.00 1.01 0.00 0.00 176.35 179.11 1rw5 n ALA 64 N -1.65 6.76 -1.25 4.21 0.00 -1.26 -4.96 120.51 122.36 1rw5 n ALA 64 Ca 0.14 -3.28 -0.31 0.00 0.00 0.00 0.00 53.44 49.99 1rw5 n ALA 64 Cb 0.50 -2.61 0.10 0.00 0.00 0.00 0.00 19.45 17.44 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N -0.56 3.18 0.10 0.00 -4.23 -1.26 -4.90 115.64 107.97 1rw5 s THR 65 Ca 0.61 0.38 -0.36 0.00 -1.18 0.00 0.00 61.69 61.14 1rw5 s THR 65 Cb 0.27 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 71.07 1rw5 s THR 65 CO -0.11 -0.50 1.40 -0.81 -0.54 0.00 0.00 174.62 174.05 1rw5 n PRO 66 N -3.60 1.38 -0.07 3.99 -0.04 -1.26 -4.86 135.00 130.53 1rw5 n PRO 66 Ca 0.09 0.50 -0.02 0.00 -0.04 0.00 0.00 63.50 64.02 1rw5 n PRO 66 Cb 0.54 -2.17 0.22 0.00 -0.04 0.00 0.00 33.50 32.05 1rw5 n PRO 66 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rw5 h GLU 67 N 4.88 0.69 -3.37 0.54 5.08 -1.92 -3.46 114.58 117.01 1rw5 h GLU 67 Ca -0.47 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 57.68 1rw5 h GLU 67 Cb 1.32 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 67 CO 0.80 0.69 0.07 0.16 -1.00 0.00 0.00 179.01 179.73 1rw5 s ASP 68 N -6.67 0.06 0.31 1.42 1.47 -1.26 -5.02 116.67 106.98 1rw5 s ASP 68 Ca -0.09 -1.00 -0.01 0.00 1.18 0.00 0.00 52.55 52.63 1rw5 s ASP 68 Cb 0.15 0.71 0.50 0.00 -0.34 0.00 0.00 42.92 43.94 1rw5 s ASP 68 CO 0.79 -1.38 1.96 0.11 0.68 0.00 0.00 175.17 177.33 1rw5 h LYS 69 N 2.09 0.97 0.15 2.11 1.57 -1.98 0.12 116.57 121.59 1rw5 h LYS 69 Ca -0.26 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1rw5 h LYS 69 Cb 1.25 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1rw5 h LYS 69 CO 0.34 0.67 -0.07 0.93 -0.57 0.00 0.00 179.45 180.75 1rw5 h GLU 70 N 0.99 -0.19 -0.41 3.15 5.08 -2.00 -1.60 114.58 119.61 1rw5 h GLU 70 Ca 0.26 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1rw5 h GLU 70 Cb -0.05 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1rw5 h GLU 70 CO -0.05 0.02 -0.07 0.37 -1.00 0.00 0.00 179.01 178.28 1rw5 h GLN 71 N -0.37 0.69 -0.27 2.33 4.15 -1.91 -2.20 115.11 117.53 1rw5 h GLN 71 Ca -0.02 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.24 1rw5 h GLN 71 Cb 0.30 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1rw5 h GLN 71 CO 0.03 0.76 0.01 0.00 -1.93 0.00 0.00 178.83 177.70 1rw5 h ALA 72 N 1.28 0.25 -0.72 3.38 0.00 -0.51 0.48 119.26 123.43 1rw5 h ALA 72 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rw5 h ALA 72 Cb 0.50 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1rw5 h ALA 72 CO 0.03 -0.41 0.45 1.96 0.00 0.00 0.00 179.25 181.28 1rw5 h GLN 73 N 0.09 0.96 -0.27 0.00 4.20 -1.02 -0.28 115.11 118.79 1rw5 h GLN 73 Ca 0.13 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1rw5 h GLN 73 Cb 0.17 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1rw5 h GLN 73 CO -0.21 0.66 -0.10 1.96 -0.67 0.00 0.00 178.83 180.46 1rw5 h GLN 74 N 0.98 0.44 0.00 1.46 4.20 -0.23 -3.33 115.11 118.63 1rw5 h GLN 74 Ca 0.26 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1rw5 h GLN 74 Cb -0.07 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1rw5 h GLN 74 CO -0.05 0.55 0.00 -1.33 -0.67 0.00 0.00 178.83 177.33 1rw5 n MET 75 N -4.23 0.00 -3.76 1.46 2.81 0.15 -4.82 117.12 108.72 1rw5 n MET 75 Ca 0.00 0.03 -0.28 0.00 -1.81 0.00 0.00 57.70 55.65 1rw5 n MET 75 Cb 0.29 -0.70 0.04 0.00 -0.71 0.00 0.00 33.22 32.15 1rw5 n MET 75 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1rw5 n ASN 76 N -0.23 -5.30 -4.33 7.83 3.02 -1.21 -4.96 115.26 110.09 1rw5 n ASN 76 Ca 0.00 -0.67 -0.27 0.00 -0.03 0.00 0.00 54.58 53.61 1rw5 n ASN 76 Cb 0.00 -4.21 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 1rw5 n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1rw5 s GLN 77 N -6.47 1.96 0.61 3.52 -0.21 -1.26 -5.00 119.66 112.82 1rw5 s GLN 77 Ca 0.62 -2.20 0.29 0.00 0.02 0.00 0.00 55.36 54.09 1rw5 s GLN 77 Cb -0.30 -0.89 1.56 0.00 1.00 0.00 0.00 33.01 34.38 1rw5 s GLN 77 CO 0.76 -0.40 1.94 -0.22 -2.12 0.00 0.00 175.29 175.25 1rw5 h LYS 78 N 1.72 0.00 -1.00 2.91 3.64 -2.01 -1.38 116.57 120.46 1rw5 h LYS 78 Ca -0.38 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1rw5 h LYS 78 Cb 1.28 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1rw5 h LYS 78 CO 0.63 0.00 0.62 -0.44 -2.27 0.00 0.00 179.45 178.00 1rw5 h ASP 79 N 0.00 0.87 0.78 4.20 3.32 -1.97 0.22 116.42 123.84 1rw5 h ASP 79 Ca 0.13 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1rw5 h ASP 79 Cb 0.89 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1rw5 h ASP 79 CO -0.00 0.43 -0.43 -0.26 -1.72 0.00 0.00 179.24 177.26 1rw5 h PHE 80 N 0.92 -1.12 -0.72 4.55 -1.00 -1.65 0.68 116.94 118.59 1rw5 h PHE 80 Ca 0.51 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 61.30 1rw5 h PHE 80 Cb 0.61 0.39 -0.04 0.00 3.61 0.00 0.00 35.95 40.51 1rw5 h PHE 80 CO -0.00 -0.66 0.46 -0.07 -1.61 0.00 0.00 178.31 176.42 1rw5 h LEU 81 N -1.12 0.76 -0.82 1.54 4.07 -1.56 -2.14 115.31 116.04 1rw5 h LEU 81 Ca -0.10 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 1rw5 h LEU 81 Cb 0.88 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1rw5 h LEU 81 CO 0.14 0.52 -0.07 0.28 -1.08 0.00 0.00 178.44 178.23 1rw5 h SER 82 N 0.90 0.80 -0.77 -0.43 0.02 -0.36 -3.00 113.55 110.70 1rw5 h SER 82 Ca 0.29 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1rw5 h SER 82 Cb 0.01 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1rw5 h SER 82 CO -0.11 0.91 0.38 -0.07 -1.14 0.00 0.00 176.83 176.80 1rw5 h LEU 83 N 0.75 1.01 -0.26 5.07 3.38 0.10 -2.84 115.31 122.52 1rw5 h LEU 83 Ca 0.13 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1rw5 h LEU 83 Cb 0.55 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1rw5 h LEU 83 CO 0.03 0.85 -0.05 0.40 0.09 0.00 0.00 178.44 179.77 1rw5 h ILE 84 N 1.11 0.76 -0.65 1.22 2.04 -1.32 0.10 117.51 120.77 1rw5 h ILE 84 Ca 0.27 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.14 1rw5 h ILE 84 Cb 0.10 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1rw5 h ILE 84 CO -0.04 0.00 0.42 0.58 0.00 0.00 0.00 178.15 179.11 1rw5 h VAL 85 N 0.02 1.13 -0.46 1.67 2.07 -1.59 -0.20 116.25 118.89 1rw5 h VAL 85 Ca 0.13 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1rw5 h VAL 85 Cb 0.18 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1rw5 h VAL 85 CO -0.25 0.15 0.15 0.28 0.02 0.00 0.00 177.57 177.91 1rw5 h SER 86 N 0.84 0.66 0.51 0.57 0.02 -1.14 -0.73 113.55 114.28 1rw5 h SER 86 Ca 0.25 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1rw5 h SER 86 Cb -0.04 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.33 1rw5 h SER 86 CO -0.08 0.69 -0.25 0.40 -1.14 0.00 0.00 176.83 176.46 1rw5 h ILE 87 N 0.60 0.10 -0.67 3.27 2.04 -0.44 -1.16 117.51 121.25 1rw5 h ILE 87 Ca 0.15 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1rw5 h ILE 87 Cb 0.26 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1rw5 h ILE 87 CO -0.01 0.02 0.40 -0.07 0.00 0.00 0.00 178.15 178.50 1rw5 h LEU 88 N -1.14 0.64 -0.99 1.44 3.38 -1.11 -1.78 115.31 115.75 1rw5 h LEU 88 Ca -0.07 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1rw5 h LEU 88 Cb 0.56 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 88 CO 0.12 0.44 -0.17 -0.09 0.09 0.00 0.00 178.44 178.82 1rw5 h ARG 89 N 0.78 0.53 -0.83 1.13 2.43 -1.21 -2.73 114.38 114.48 1rw5 h ARG 89 Ca 0.28 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1rw5 h ARG 89 Cb 0.08 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1rw5 h ARG 89 CO -0.13 0.69 0.54 1.03 -1.51 0.00 0.00 179.97 180.59 1rw5 h SER 90 N 0.48 0.79 0.66 -3.80 0.87 -0.31 -1.25 113.55 110.99 1rw5 h SER 90 Ca 0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1rw5 h SER 90 Cb 0.58 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1rw5 h SER 90 CO 0.04 0.50 -0.25 0.79 -0.53 0.00 0.00 176.83 177.38 1rw5 n TRP 91 N -4.49 0.00 -0.37 2.24 7.02 -1.04 -3.92 117.44 116.88 1rw5 n TRP 91 Ca 0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.59 1rw5 n TRP 91 Cb 0.23 -0.33 0.11 0.00 -2.42 0.00 0.00 31.31 28.90 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1rw5 h ASN 92 N 0.12 1.13 0.17 -0.99 -1.24 -1.05 -2.13 115.58 111.58 1rw5 h ASN 92 Ca 0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1rw5 h ASN 92 Cb 0.48 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1rw5 h ASN 92 CO 0.00 0.81 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.79 1rw5 h GLU 93 N 1.33 -0.22 -1.02 6.67 4.81 -1.70 -3.15 114.58 121.30 1rw5 h GLU 93 Ca 0.36 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.86 1rw5 h GLU 93 Cb -0.14 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.18 1rw5 h GLU 93 CO -0.08 0.09 0.63 -1.35 -0.73 0.00 0.00 179.01 177.57 1rw5 h PRO 94 N -0.98 0.50 -0.17 0.92 0.11 -1.72 0.39 132.00 131.04 1rw5 h PRO 94 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1rw5 h PRO 94 Cb 0.42 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1rw5 h PRO 94 CO 0.04 0.33 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.83 1rw5 h LEU 95 N 0.51 0.32 -0.50 2.35 3.38 -1.47 -2.41 115.31 117.49 1rw5 h LEU 95 Ca 0.62 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.55 1rw5 h LEU 95 Cb 1.33 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1rw5 h LEU 95 CO -0.40 0.59 0.19 0.22 0.09 0.00 0.00 178.44 179.13 1rw5 h TYR 96 N 0.29 0.34 -0.19 1.13 3.20 -0.16 -1.55 116.97 120.03 1rw5 h TYR 96 Ca 0.04 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 1rw5 h TYR 96 Cb 0.62 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1rw5 h TYR 96 CO 0.01 0.12 -0.63 0.45 -1.64 0.00 0.00 178.16 176.47 1rw5 h HIS 97 N 0.37 0.86 -0.83 -3.82 3.86 -1.45 -2.51 115.15 111.62 1rw5 h HIS 97 Ca 0.24 -0.33 0.11 0.00 -1.16 0.00 0.00 60.37 59.23 1rw5 h HIS 97 Cb 0.24 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 1rw5 h HIS 97 CO -0.15 1.12 0.47 -0.07 0.86 0.00 0.00 177.93 180.15 1rw5 h LEU 98 N 0.49 0.64 -0.59 2.43 3.38 -0.85 0.53 115.31 121.35 1rw5 h LEU 98 Ca -0.01 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1rw5 h LEU 98 Cb 1.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1rw5 h LEU 98 CO 0.12 0.34 -0.70 -0.37 0.09 0.00 0.00 178.44 177.93 1rw5 h VAL 99 N 0.75 1.49 -0.12 1.22 -1.51 -1.25 0.73 116.25 117.56 1rw5 h VAL 99 Ca 0.42 -2.36 -0.13 0.00 -1.23 0.00 0.00 66.70 63.40 1rw5 h VAL 99 Cb 0.45 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1rw5 h VAL 99 CO -0.28 0.68 -0.42 0.71 -1.23 0.00 0.00 177.57 177.03 1rw5 h THR 100 N 0.03 1.37 -0.00 7.19 1.35 -0.52 -1.68 112.91 120.64 1rw5 h THR 100 Ca -0.01 -1.73 -0.16 0.00 -0.55 0.00 0.00 66.41 63.96 1rw5 h THR 100 Cb 1.24 2.14 0.01 0.00 -1.73 0.00 0.00 68.15 69.81 1rw5 h THR 100 CO 0.09 0.52 -0.62 -0.33 -0.25 0.00 0.00 175.52 174.93 1rw5 h GLU 101 N 0.09 0.43 -0.46 4.72 5.08 -0.04 -3.01 114.58 121.39 1rw5 h GLU 101 Ca -0.02 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1rw5 h GLU 101 Cb 1.05 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1rw5 h GLU 101 CO 0.09 1.11 0.16 0.28 -1.00 0.00 0.00 179.01 179.65 1rw5 h VAL 102 N -0.07 1.22 -0.86 3.13 2.07 -0.94 -1.37 116.25 119.42 1rw5 h VAL 102 Ca -0.08 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.85 1rw5 h VAL 102 Cb 1.33 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1rw5 h VAL 102 CO 0.12 0.26 0.56 -0.09 0.02 0.00 0.00 177.57 178.44 1rw5 h ARG 103 N 0.60 0.75 -0.03 1.57 2.43 -1.37 0.19 114.38 118.52 1rw5 h ARG 103 Ca 0.15 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1rw5 h ARG 103 Cb 0.24 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1rw5 h ARG 103 CO -0.01 0.50 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 1rw5 n GLY 104 N -1.43 -0.26 3.63 2.80 0.00 -0.86 -4.70 105.19 104.38 1rw5 n GLY 104 Ca 0.15 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1rw5 n GLY 104 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rw5 s MET 105 N -1.98 3.98 0.19 1.61 -2.45 0.66 -4.91 119.30 116.40 1rw5 s MET 105 Ca 0.39 0.89 -0.13 0.00 -1.25 0.00 0.00 55.69 55.60 1rw5 s MET 105 Cb 0.20 -3.77 0.10 0.00 1.25 0.00 0.00 34.83 32.62 1rw5 s MET 105 CO 0.33 -0.96 1.85 0.37 1.05 0.00 0.00 175.02 177.66 1rw5 h GLN 106 N 8.31 0.77 0.00 4.11 5.75 -1.87 -0.21 115.11 131.96 1rw5 h GLN 106 Ca -0.21 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.14 1rw5 h GLN 106 Cb 1.07 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.43 1rw5 h GLN 106 CO 1.03 0.51 -0.49 0.93 -2.65 0.00 0.00 178.83 178.16 1rw5 h GLU 107 N 0.79 0.00 -2.27 1.69 5.08 -1.95 -3.35 114.58 114.58 1rw5 h GLU 107 Ca 0.22 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.00 1rw5 h GLU 107 Cb -0.07 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.78 1rw5 h GLU 107 CO -0.06 0.49 -0.86 0.00 -1.00 0.00 0.00 179.01 177.59 1rw5 n ALA 108 N -2.42 3.14 -0.05 3.43 0.00 -0.73 -4.94 120.51 118.95 1rw5 n ALA 108 Ca -0.01 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1rw5 n ALA 108 Cb 0.52 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1rw5 n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw5 n PRO 109 N 1.56 0.00 -0.22 0.00 -0.04 -0.17 -4.14 135.00 131.99 1rw5 n PRO 109 Ca 0.25 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 64.12 1rw5 n PRO 109 Cb 0.46 -0.80 0.22 0.00 -0.04 0.00 0.00 33.50 33.34 1rw5 n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rw5 n GLU 110 N -2.11 2.47 0.00 0.54 1.02 -1.26 -3.95 120.64 117.36 1rw5 n GLU 110 Ca 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.87 1rw5 n GLU 110 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rw5 n ALA 111 N 1.32 0.00 0.17 0.62 0.00 -1.26 -3.71 120.51 117.65 1rw5 n ALA 111 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.60 1rw5 n ALA 111 Cb 0.56 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.29 1rw5 n ALA 111 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rw5 h ILE 112 N 0.00 0.98 -0.41 0.00 2.04 -1.83 -3.10 117.51 115.19 1rw5 h ILE 112 Ca 0.00 -1.70 -0.04 0.00 1.00 0.00 0.00 64.86 64.12 1rw5 h ILE 112 Cb 0.00 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1rw5 h ILE 112 CO 0.00 0.42 0.07 0.25 0.00 0.00 0.00 178.15 178.90 1rw5 h LEU 113 N 0.00 0.58 -0.75 1.44 5.85 -1.77 -1.51 115.31 119.15 1rw5 h LEU 113 Ca -0.00 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1rw5 h LEU 113 Cb 0.98 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1rw5 h LEU 113 CO 0.06 0.60 0.43 0.77 -0.34 0.00 0.00 178.44 179.96 1rw5 h SER 114 N 0.61 0.64 0.51 1.25 4.64 -1.62 0.35 113.55 119.93 1rw5 h SER 114 Ca 0.14 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1rw5 h SER 114 Cb 0.27 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rw5 h SER 114 CO 0.00 0.40 -0.96 0.11 -0.87 0.00 0.00 176.83 175.51 1rw5 h LYS 115 N 0.77 0.28 -0.21 4.77 1.79 -1.64 -3.02 116.57 119.31 1rw5 h LYS 115 Ca 0.34 -0.33 -0.13 0.00 -2.18 0.00 0.00 60.65 58.35 1rw5 h LYS 115 Cb 0.22 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1rw5 h LYS 115 CO -0.20 1.05 -0.41 0.00 -1.08 0.00 0.00 179.45 178.82 1rw5 h ALA 116 N 0.82 0.91 -0.04 3.86 0.00 -0.28 0.19 119.26 124.73 1rw5 h ALA 116 Ca -0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 1rw5 h ALA 116 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1rw5 h ALA 116 CO 0.16 0.63 -0.81 -0.39 0.00 0.00 0.00 179.25 178.84 1rw5 h VAL 117 N 0.40 1.41 0.00 0.00 -1.51 -0.39 -3.00 116.25 113.17 1rw5 h VAL 117 Ca 0.03 -2.32 -0.24 0.00 -1.23 0.00 0.00 66.70 62.94 1rw5 h VAL 117 Cb 0.89 2.27 -0.04 0.00 -2.13 0.00 0.00 31.29 32.28 1rw5 h VAL 117 CO 0.08 0.69 -1.26 1.05 -1.23 0.00 0.00 177.57 176.89 1rw5 h GLU 118 N 0.22 0.01 -0.43 5.19 4.11 -1.43 -3.22 114.58 119.02 1rw5 h GLU 118 Ca -0.04 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 1rw5 h GLU 118 Cb 1.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1rw5 h GLU 118 CO 0.13 0.83 -0.22 0.97 0.07 0.00 0.00 179.01 180.79 1rw5 h ILE 119 N 0.00 1.27 -0.11 -1.06 2.10 -0.66 -1.33 117.51 117.72 1rw5 h ILE 119 Ca -0.11 -1.36 -0.08 0.00 1.08 0.00 0.00 64.86 64.39 1rw5 h ILE 119 Cb 1.86 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 38.75 1rw5 h ILE 119 CO 0.11 0.46 -0.31 -0.08 -1.08 0.00 0.00 178.15 177.25 1rw5 h GLU 120 N 0.75 0.20 -0.03 2.19 4.81 -1.63 -2.28 114.58 118.60 1rw5 h GLU 120 Ca 0.10 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1rw5 h GLU 120 Cb 0.76 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1rw5 h GLU 120 CO 0.06 0.50 -0.61 0.93 -0.73 0.00 0.00 179.01 179.16 1rw5 h GLU 121 N 0.18 0.46 -0.23 1.92 4.39 -1.48 -3.17 114.58 116.64 1rw5 h GLU 121 Ca 0.02 -0.46 -0.07 0.00 0.34 0.00 0.00 59.36 59.19 1rw5 h GLU 121 Cb 0.65 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1rw5 h GLU 121 CO 0.05 1.11 -0.18 1.96 -1.16 0.00 0.00 179.01 180.79 1rw5 h GLN 122 N -0.01 0.40 -0.52 2.33 1.08 -1.18 -2.54 115.11 114.66 1rw5 h GLN 122 Ca -0.07 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1rw5 h GLN 122 Cb 1.30 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 1rw5 h GLN 122 CO 0.12 0.57 0.10 1.79 -0.95 0.00 0.00 178.83 180.46 1rw5 h THR 123 N 0.37 1.23 -0.05 -0.54 1.35 -1.46 -0.90 112.91 112.91 1rw5 h THR 123 Ca 0.07 -0.86 -0.18 0.00 -0.55 0.00 0.00 66.41 64.88 1rw5 h THR 123 Cb 0.53 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1rw5 h THR 123 CO 0.03 0.31 -0.76 0.11 -0.25 0.00 0.00 175.52 174.97 1rw5 h LYS 124 N 0.78 0.34 -0.39 4.72 1.57 -1.46 -3.02 116.57 119.11 1rw5 h LYS 124 Ca 0.17 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1rw5 h LYS 124 Cb 0.33 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1rw5 h LYS 124 CO 0.00 0.95 -0.02 0.00 -0.57 0.00 0.00 179.45 179.81 1rw5 h ARG 125 N 0.22 0.70 -0.59 3.15 3.08 -1.07 -2.29 114.38 117.59 1rw5 h ARG 125 Ca -0.03 -0.24 0.12 0.00 0.07 0.00 0.00 59.98 59.90 1rw5 h ARG 125 Cb 1.34 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1rw5 h ARG 125 CO 0.13 0.81 0.40 1.25 -1.07 0.00 0.00 179.97 181.48 1rw5 h LEU 126 N 0.52 0.25 -0.66 3.04 6.46 -1.13 -0.38 115.31 123.40 1rw5 h LEU 126 Ca 0.11 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1rw5 h LEU 126 Cb 0.51 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 1rw5 h LEU 126 CO 0.02 0.14 0.13 -0.07 -0.62 0.00 0.00 178.44 178.05 1rw5 h LEU 127 N 0.27 1.03 -0.61 2.25 3.38 -1.28 -1.16 115.31 119.19 1rw5 h LEU 127 Ca 0.28 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1rw5 h LEU 127 Cb 0.72 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 127 CO -0.06 1.02 0.16 -0.33 0.09 0.00 0.00 178.44 179.32 1rw5 h GLU 128 N 1.01 0.97 -0.30 1.13 5.08 -0.98 0.98 114.58 122.47 1rw5 h GLU 128 Ca 0.21 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1rw5 h GLU 128 Cb 0.41 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1rw5 h GLU 128 CO 0.01 0.88 -0.17 0.78 -1.00 0.00 0.00 179.01 179.51 1rw5 h GLY 129 N 0.89 0.59 1.24 -3.84 0.00 -1.29 -2.88 103.07 97.78 1rw5 h GLY 129 Ca 0.19 -0.44 -0.31 0.00 0.00 0.00 0.00 47.33 46.77 1rw5 h GLY 129 CO -0.00 0.40 -1.53 0.00 0.00 0.00 0.00 176.54 175.42 1rw5 h MET 130 N 0.49 0.30 0.00 4.80 -0.00 -0.77 -3.17 114.93 116.58 1rw5 h MET 130 Ca 0.08 -0.51 -0.02 0.00 -0.00 0.00 0.00 59.70 59.26 1rw5 h MET 130 Cb 0.58 0.19 -0.00 0.00 -0.00 0.00 0.00 31.60 32.37 1rw5 h MET 130 CO 0.04 1.18 -0.07 0.93 -0.00 0.00 0.00 176.91 178.99 1rw5 h GLU 131 N 0.08 0.00 0.00 -0.10 5.08 0.11 -0.78 114.58 118.97 1rw5 h GLU 131 Ca -0.25 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.94 1rw5 h GLU 131 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1rw5 h GLU 131 CO 0.18 0.07 -0.91 1.37 -1.00 0.00 0.00 179.01 178.72 1rw5 h LEU 132 N 0.00 0.00 0.23 1.33 8.10 -1.60 -2.91 115.31 120.46 1rw5 h LEU 132 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1rw5 h LEU 132 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1rw5 h LEU 132 CO 0.01 0.79 -0.11 0.40 -4.11 0.00 0.00 178.44 175.42 1rw5 h ILE 133 N 0.00 0.83 -0.42 0.15 5.03 -1.14 -2.16 117.51 119.81 1rw5 h ILE 133 Ca -0.04 -0.62 -0.01 0.00 -0.12 0.00 0.00 64.86 64.07 1rw5 h ILE 133 Cb 1.64 1.18 -0.02 0.00 -3.03 0.00 0.00 36.82 36.59 1rw5 h ILE 133 CO 0.10 0.13 0.22 1.62 -0.68 0.00 0.00 178.15 179.54 1rw5 h VAL 134 N -0.64 1.14 0.00 1.67 3.04 -1.48 0.93 116.25 120.90 1rw5 h VAL 134 Ca -0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1rw5 h VAL 134 Cb 0.46 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1rw5 h VAL 134 CO 0.05 0.16 0.00 0.77 -1.01 0.00 0.00 177.57 177.54 1rw5 h SER 135 N 0.58 0.00 0.00 3.17 4.64 -1.32 -1.35 113.55 119.27 1rw5 h SER 135 Ca 0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1rw5 h SER 135 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1rw5 h SER 135 CO -0.02 0.00 -1.36 0.00 -0.87 0.00 0.00 176.83 174.58 1rw5 n GLN 136 N -2.58 0.32 -0.15 4.77 1.13 -0.51 -4.09 117.38 116.27 1rw5 n GLN 136 Ca 0.01 0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.00 1rw5 n GLN 136 Cb 0.25 -1.13 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1rw5 h VAL 137 N 0.00 1.27 -2.45 5.09 2.07 0.76 -3.35 116.25 119.63 1rw5 h VAL 137 Ca -0.14 -1.14 -0.59 0.00 0.82 0.00 0.00 66.70 65.65 1rw5 h VAL 137 Cb 1.23 1.12 -0.40 0.00 -1.52 0.00 0.00 31.29 31.72 1rw5 h VAL 137 CO -0.02 0.39 -0.84 1.41 0.02 0.00 0.00 177.57 178.52 1rw5 n HIS 138 N -4.34 0.92 0.17 1.57 8.25 -0.51 -4.94 115.22 116.34 1rw5 n HIS 138 Ca -0.00 -3.74 0.18 0.00 -0.26 0.00 0.00 57.72 53.90 1rw5 n HIS 138 Cb 0.34 -0.21 0.80 0.00 1.12 0.00 0.00 29.99 32.04 1rw5 n HIS 138 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1rw5 h PRO 139 N 5.03 0.00 0.00 -0.41 0.11 -1.71 -0.67 132.00 134.36 1rw5 h PRO 139 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1rw5 h PRO 139 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1rw5 h PRO 139 CO 0.55 0.00 -0.01 1.49 -0.21 0.00 0.00 178.00 179.82 1rw5 h GLU 140 N 0.00 0.00 -6.25 1.05 4.81 -1.91 -3.41 114.58 108.87 1rw5 h GLU 140 Ca 0.12 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.75 1rw5 h GLU 140 Cb 0.75 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1rw5 h GLU 140 CO -0.00 0.01 1.17 2.41 -0.73 0.00 0.00 179.01 181.86 1rw5 n THR 141 N -4.41 0.58 0.00 0.32 -1.04 -0.26 -4.88 114.28 104.59 1rw5 n THR 141 Ca -0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1rw5 n THR 141 Cb 0.10 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 1rw5 n THR 141 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1rw5 n LYS 142 N 7.03 0.00 -3.21 -2.82 5.02 -1.26 -4.88 118.16 118.04 1rw5 n LYS 142 Ca 0.24 0.32 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 1rw5 n LYS 142 Cb 0.32 -0.81 -0.05 0.00 -0.02 0.00 0.00 35.03 34.47 1rw5 n LYS 142 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1rw5 s GLU 143 N -0.67 0.82 -0.46 1.97 -1.05 -1.26 -5.09 118.70 112.96 1rw5 s GLU 143 Ca 0.00 -1.10 -0.10 0.00 -0.15 0.00 0.00 54.97 53.61 1rw5 s GLU 143 Cb 0.00 -0.61 0.10 0.00 -0.44 0.00 0.00 34.13 33.19 1rw5 s GLU 143 CO 0.00 -1.27 0.33 1.21 0.95 0.00 0.00 175.26 176.48 1rw5 s ASN 144 N 1.05 5.76 -0.40 0.83 3.84 -1.26 -4.91 114.94 119.86 1rw5 s ASN 144 Ca 0.23 -1.70 0.10 0.00 0.21 0.00 0.00 52.86 51.70 1rw5 s ASN 144 Cb -0.06 -2.04 0.35 0.00 -0.55 0.00 0.00 41.25 38.95 1rw5 s ASN 144 CO -0.07 -0.65 0.88 -1.84 -2.79 0.00 0.00 177.10 172.63 1rw5 n GLU 145 N 4.97 1.00 -3.61 0.43 0.28 -1.26 -4.78 120.64 117.66 1rw5 n GLU 145 Ca -0.10 -2.88 -0.37 0.00 -0.16 0.00 0.00 57.16 53.65 1rw5 n GLU 145 Cb 0.42 -1.44 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 1rw5 n GLU 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rw5 s ILE 146 N -1.54 5.23 0.13 3.84 -1.09 -1.26 -4.91 121.20 121.60 1rw5 s ILE 146 Ca 0.33 0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 59.34 1rw5 s ILE 146 Cb 0.34 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1rw5 s ILE 146 CO -0.07 0.54 0.06 -0.72 -1.23 0.00 0.00 174.94 173.53 1rw5 s TYR 147 N -0.67 0.88 0.64 3.97 1.13 -1.26 -4.39 117.35 117.65 1rw5 s TYR 147 Ca 0.20 -1.24 -0.18 0.00 -1.41 0.00 0.00 57.07 54.44 1rw5 s TYR 147 Cb -0.14 -0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 40.20 1rw5 s TYR 147 CO 0.08 -0.53 1.03 -2.30 -2.51 0.00 0.00 175.55 171.33 1rw5 n PRO 148 N -0.10 0.86 -3.91 -3.49 -0.02 -1.26 -4.99 135.00 122.09 1rw5 n PRO 148 Ca -0.05 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1rw5 n PRO 148 Cb 0.64 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1rw5 n PRO 148 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rw5 s VAL 149 N -1.54 5.21 0.35 -1.45 -7.23 -1.26 -5.00 120.40 109.49 1rw5 s VAL 149 Ca 0.78 0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 60.79 1rw5 s VAL 149 Cb -0.39 -3.31 -0.12 0.00 0.56 0.00 0.00 36.38 33.11 1rw5 s VAL 149 CO 0.45 0.54 0.98 1.87 -0.31 0.00 0.00 175.10 178.63 1rw5 n TRP 150 N 2.74 1.12 0.00 2.82 -0.00 -1.26 -4.74 117.44 118.13 1rw5 n TRP 150 Ca -0.18 0.63 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1rw5 n TRP 150 Cb 0.53 -2.23 0.00 0.00 -0.00 0.00 0.00 31.31 29.62 1rw5 n TRP 150 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1rw5 n SER 151 N 0.93 0.00 -3.74 5.87 7.64 -1.26 -5.14 113.62 117.93 1rw5 n SER 151 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1rw5 n SER 151 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rw5 n GLY 152 N -0.84 -2.10 3.27 0.23 0.00 -1.26 -4.69 105.19 99.80 1rw5 n GLY 152 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1rw5 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw5 n LEU 153 N 0.00 -5.44 -4.53 0.99 7.99 -1.26 -4.69 117.00 110.06 1rw5 n LEU 153 Ca 0.00 -0.49 -0.19 0.00 -0.01 0.00 0.00 56.01 55.32 1rw5 n LEU 153 Cb 0.00 -3.01 -0.14 0.00 -0.11 0.00 0.00 43.42 40.16 1rw5 n LEU 153 CO 0.00 -0.37 1.68 -2.65 -1.51 0.00 0.00 177.39 174.54 1rw5 n PRO 154 N -2.66 0.30 -2.74 3.23 -0.02 -1.26 -3.81 135.00 128.04 1rw5 n PRO 154 Ca -0.06 -0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 60.98 1rw5 n PRO 154 Cb 0.57 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rw5 n SER 155 N 12.34 -3.34 0.20 2.55 7.64 -1.26 -4.54 113.62 127.21 1rw5 n SER 155 Ca 0.57 1.25 0.15 0.00 1.01 0.00 0.00 58.87 61.85 1rw5 n SER 155 Cb 0.29 -4.44 0.77 0.00 -1.01 0.00 0.00 64.21 59.82 1rw5 n SER 155 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rw5 h LEU 156 N 4.08 0.00 -1.98 -3.43 3.38 -1.95 0.11 115.31 115.52 1rw5 h LEU 156 Ca -0.34 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.79 1rw5 h LEU 156 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1rw5 h LEU 156 CO 0.02 0.00 0.49 -0.61 0.09 0.00 0.00 178.44 178.43 1rw5 h GLN 157 N 0.00 0.00 -6.18 1.13 4.15 -1.94 -3.41 115.11 108.86 1rw5 h GLN 157 Ca 0.08 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.79 1rw5 h GLN 157 Cb 0.36 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.07 1rw5 h GLN 157 CO -0.00 0.00 0.93 -0.12 -1.93 0.00 0.00 178.83 177.71 1rw5 n MET 158 N -4.01 1.37 -0.29 1.69 1.56 0.39 -4.84 117.12 112.99 1rw5 n MET 158 Ca 0.11 0.50 0.09 0.00 -0.27 0.00 0.00 57.70 58.14 1rw5 n MET 158 Cb 0.72 -2.22 0.21 0.00 2.15 0.00 0.00 33.22 34.08 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rw5 n ALA 159 N 5.55 2.69 -1.78 -5.12 0.00 -1.26 -4.78 120.51 115.81 1rw5 n ALA 159 Ca 0.25 -2.43 -0.41 0.00 0.00 0.00 0.00 53.44 50.85 1rw5 n ALA 159 Cb 0.17 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1rw5 n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rw5 s ASP 160 N -2.31 6.42 0.29 0.00 1.01 -1.26 -4.89 116.67 115.93 1rw5 s ASP 160 Ca 0.38 2.97 0.02 0.00 0.71 0.00 0.00 52.55 56.62 1rw5 s ASP 160 Cb 0.32 -2.66 0.44 0.00 1.01 0.00 0.00 42.92 42.03 1rw5 s ASP 160 CO 0.06 -0.83 1.77 -0.33 0.21 0.00 0.00 175.17 176.06 1rw5 h GLU 161 N 3.52 0.57 0.00 8.23 5.08 -1.99 -1.91 114.58 128.07 1rw5 h GLU 161 Ca -0.50 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 57.49 1rw5 h GLU 161 Cb 1.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1rw5 h GLU 161 CO 0.68 0.68 -1.10 0.93 -1.00 0.00 0.00 179.01 179.20 1rw5 h GLU 162 N 0.52 0.00 -0.39 2.33 5.08 -1.97 -3.32 114.58 116.84 1rw5 h GLU 162 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1rw5 h GLU 162 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1rw5 h GLU 162 CO 0.03 0.96 0.22 1.03 -1.00 0.00 0.00 179.01 180.25 1rw5 h SER 163 N -1.00 0.48 -0.90 1.42 0.87 -1.96 -2.59 113.55 109.86 1rw5 h SER 163 Ca -0.30 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1rw5 h SER 163 Cb 1.24 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 1rw5 h SER 163 CO -0.18 0.41 0.59 -0.09 -0.53 0.00 0.00 176.83 177.03 1rw5 h ARG 164 N 0.50 1.00 -0.82 2.24 9.65 -1.54 0.15 114.38 125.56 1rw5 h ARG 164 Ca 0.14 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.02 1rw5 h ARG 164 Cb 0.04 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.34 1rw5 h ARG 164 CO -0.02 0.66 0.53 -0.07 2.80 0.00 0.00 179.97 183.87 1rw5 h LEU 165 N 1.03 0.80 -1.19 3.80 4.07 -1.56 0.33 115.31 122.60 1rw5 h LEU 165 Ca 0.39 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.36 1rw5 h LEU 165 Cb 0.20 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1rw5 h LEU 165 CO -0.15 0.52 0.55 -1.28 -1.08 0.00 0.00 178.44 177.00 1rw5 h SER 166 N 0.91 0.95 -0.84 -0.43 0.87 -0.84 0.92 113.55 115.09 1rw5 h SER 166 Ca 0.35 -0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.95 1rw5 h SER 166 Cb 0.20 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 1rw5 h SER 166 CO -0.12 0.69 0.51 0.00 -0.53 0.00 0.00 176.83 177.38 1rw5 h ALA 167 N 1.48 1.17 0.00 6.23 0.00 0.00 -1.87 119.26 126.27 1rw5 h ALA 167 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.98 1rw5 h ALA 167 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1rw5 h ALA 167 CO -0.07 0.22 -2.20 0.66 0.00 0.00 0.00 179.25 177.86 1rw5 n TYR 168 N -4.66 0.07 -0.21 0.00 4.01 -0.86 -3.64 117.16 111.87 1rw5 n TYR 168 Ca 0.13 0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1rw5 n TYR 168 Cb 0.21 -0.85 0.03 0.00 -0.31 0.00 0.00 39.34 38.42 1rw5 n TYR 168 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rw5 h TYR 169 N 0.00 0.83 -0.40 -0.72 3.20 0.93 0.75 116.97 121.56 1rw5 h TYR 169 Ca -0.35 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.38 1rw5 h TYR 169 Cb 1.81 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1rw5 h TYR 169 CO 0.00 0.63 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.07 1rw5 h ASN 170 N 0.79 0.84 0.14 -2.11 -0.26 -1.52 -1.94 115.58 111.52 1rw5 h ASN 170 Ca 0.20 -0.39 -0.01 0.00 -0.56 0.00 0.00 56.30 55.54 1rw5 h ASN 170 Cb 0.10 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1rw5 h ASN 170 CO -0.03 1.04 -0.07 -0.07 -1.06 0.00 0.00 177.43 177.25 1rw5 h LEU 171 N 0.63 -0.16 -1.03 1.61 3.38 -1.53 -2.55 115.31 115.66 1rw5 h LEU 171 Ca 0.09 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.22 1rw5 h LEU 171 Cb 0.71 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1rw5 h LEU 171 CO 0.05 0.19 0.62 -0.07 0.09 0.00 0.00 178.44 179.33 1rw5 h LEU 172 N -0.81 0.85 0.08 1.67 3.38 0.38 0.87 115.31 121.73 1rw5 h LEU 172 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rw5 h LEU 172 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rw5 h LEU 172 CO 0.03 0.38 -0.04 -0.74 0.09 0.00 0.00 178.44 178.16 1rw5 h HIS 173 N 0.87 -0.10 -0.08 1.13 2.76 -1.45 -1.99 115.15 116.29 1rw5 h HIS 173 Ca 0.54 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.65 1rw5 h HIS 173 Cb 0.70 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1rw5 h HIS 173 CO -0.00 0.26 -0.21 0.00 -1.30 0.00 0.00 177.93 176.67 1rw5 h LEU 175 N 0.12 0.84 0.66 0.00 6.46 0.95 0.35 115.31 124.70 1rw5 h LEU 175 Ca 0.02 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1rw5 h LEU 175 Cb 0.45 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1rw5 h LEU 175 CO 0.03 0.60 -0.32 -0.09 -0.62 0.00 0.00 178.44 178.05 1rw5 h ARG 176 N 0.99 -0.86 -0.71 1.25 2.43 -0.58 0.13 114.38 117.05 1rw5 h ARG 176 Ca 0.28 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 1rw5 h ARG 176 Cb -0.09 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.59 1rw5 h ARG 176 CO -0.07 -0.55 0.36 0.00 -1.51 0.00 0.00 179.97 178.20 1rw5 h ARG 177 N -1.19 0.60 -0.64 0.20 3.08 -1.31 -1.23 114.38 113.88 1rw5 h ARG 177 Ca -0.09 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1rw5 h ARG 177 Cb 0.70 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1rw5 h ARG 177 CO 0.15 0.39 0.05 -0.44 -1.07 0.00 0.00 179.97 179.05 1rw5 h ASP 178 N 0.61 1.07 -0.20 7.04 3.32 -0.28 -1.03 116.42 126.96 1rw5 h ASP 178 Ca 0.35 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1rw5 h ASP 178 Cb 0.35 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rw5 h ASP 178 CO -0.26 1.09 0.07 0.28 -1.72 0.00 0.00 179.24 178.71 1rw5 h SER 179 N 1.02 0.34 -0.18 6.45 0.02 0.25 -1.01 113.55 120.43 1rw5 h SER 179 Ca 0.19 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.89 1rw5 h SER 179 Cb 0.52 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1rw5 h SER 179 CO 0.02 0.34 -0.74 -0.74 -1.14 0.00 0.00 176.83 174.58 1rw5 h HIS 180 N 0.37 1.09 -0.14 3.45 -0.00 -0.71 -2.12 115.15 117.09 1rw5 h HIS 180 Ca 0.09 -0.46 0.01 0.00 -0.00 0.00 0.00 60.37 60.01 1rw5 h HIS 180 Cb 0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1rw5 h HIS 180 CO 0.00 1.30 0.05 0.87 -0.00 0.00 0.00 177.93 180.15 1rw5 h LYS 181 N 0.57 0.12 -1.00 5.26 1.57 -0.21 0.90 116.57 123.78 1rw5 h LYS 181 Ca -0.04 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 181 Cb 1.36 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.59 1rw5 h LYS 181 CO 0.15 0.08 0.66 0.82 -0.57 0.00 0.00 179.45 180.60 1rw5 h ILE 182 N 0.12 1.22 -0.48 1.86 2.04 -1.23 -1.05 117.51 119.99 1rw5 h ILE 182 Ca 0.06 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1rw5 h ILE 182 Cb 0.03 -0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 1rw5 h ILE 182 CO -0.06 0.24 -0.15 -0.78 0.00 0.00 0.00 178.15 177.41 1rw5 h ASP 183 N 1.32 0.93 -0.69 1.72 3.58 -0.57 -2.98 116.42 119.74 1rw5 h ASP 183 Ca 0.38 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.53 1rw5 h ASP 183 Cb -0.09 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.67 1rw5 h ASP 183 CO -0.10 1.07 0.45 -1.13 -2.88 0.00 0.00 179.24 176.65 1rw5 h ASN 184 N 0.82 0.78 -0.71 2.28 -1.24 0.20 -2.54 115.58 115.19 1rw5 h ASN 184 Ca 0.12 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 1rw5 h ASN 184 Cb 0.69 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 1rw5 h ASN 184 CO 0.05 0.57 0.33 1.88 -1.29 0.00 0.00 177.43 178.97 1rw5 h TYR 185 N 0.93 1.02 -0.89 0.67 0.05 -1.19 -2.27 116.97 115.29 1rw5 h TYR 185 Ca 0.25 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.00 1rw5 h TYR 185 Cb -0.10 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.28 1rw5 h TYR 185 CO -0.03 0.76 0.59 -0.07 -1.05 0.00 0.00 178.16 178.36 1rw5 h LEU 186 N 0.99 0.98 -0.85 3.88 -0.00 -1.32 0.11 115.31 119.09 1rw5 h LEU 186 Ca 0.24 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1rw5 h LEU 186 Cb 0.13 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.51 1rw5 h LEU 186 CO -0.03 0.69 0.56 0.11 -0.00 0.00 0.00 178.44 179.77 1rw5 h LYS 187 N 1.15 1.12 -0.21 1.13 1.57 -1.03 0.05 116.57 120.35 1rw5 h LYS 187 Ca 0.34 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1rw5 h LYS 187 Cb -0.05 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.00 1rw5 h LYS 187 CO -0.09 0.75 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.32 1rw5 h LEU 188 N 1.16 0.49 -1.33 2.94 3.38 -0.88 -3.04 115.31 118.03 1rw5 h LEU 188 Ca 0.31 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1rw5 h LEU 188 Cb -0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1rw5 h LEU 188 CO -0.07 0.82 0.48 -0.07 0.09 0.00 0.00 178.44 179.69 1rw5 h LEU 189 N 0.16 0.76 -0.40 1.67 4.07 -0.35 -2.49 115.31 118.73 1rw5 h LEU 189 Ca 0.04 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.06 1rw5 h LEU 189 Cb 0.66 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.16 1rw5 h LEU 189 CO 0.04 0.52 0.05 0.50 -1.08 0.00 0.00 178.44 178.47 1rw5 h LYS 190 N 0.88 0.17 -0.07 1.13 3.64 -0.87 0.96 116.57 122.40 1rw5 h LYS 190 Ca 0.29 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1rw5 h LYS 190 Cb 0.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1rw5 h LYS 190 CO -0.08 0.11 0.13 0.00 -2.27 0.00 0.00 179.45 177.34 1rw5 n ARG 192 N -3.48 1.54 0.15 0.00 0.63 -0.37 -3.22 116.66 111.91 1rw5 n ARG 192 Ca -0.01 -0.03 0.03 0.00 -0.92 0.00 0.00 57.85 56.91 1rw5 n ARG 192 Cb 0.21 -1.17 0.12 0.00 0.45 0.00 0.00 32.46 32.08 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1rw5 h ILE 193 N 0.00 0.96 0.00 5.15 2.10 0.10 -3.41 117.51 122.42 1rw5 h ILE 193 Ca -0.09 -2.10 0.00 0.00 1.08 0.00 0.00 64.86 63.75 1rw5 h ILE 193 Cb 0.85 2.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 1rw5 h ILE 193 CO 0.00 0.50 -0.35 -0.38 -1.08 0.00 0.00 178.15 176.84 1rw5 n ILE 194 N -3.35 0.00 -3.89 2.19 5.41 -0.99 -4.96 119.36 113.77 1rw5 n ILE 194 Ca 0.01 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.55 1rw5 n ILE 194 Cb 0.68 -0.26 -0.01 0.00 -0.71 0.00 0.00 39.64 39.34 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1rw5 n HIS 195 N -1.45 -0.59 -0.00 1.39 8.25 -1.14 -5.07 115.22 116.61 1rw5 n HIS 195 Ca 0.00 -1.84 -0.00 0.00 -0.26 0.00 0.00 57.72 55.62 1rw5 n HIS 195 Cb 0.18 -0.34 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 1rw5 n HIS 195 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rw5 n ASN 196 N -1.80 0.04 -4.27 0.41 3.02 -1.20 -3.84 115.26 107.62 1rw5 n ASN 196 Ca -0.03 0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 1rw5 n ASN 196 Cb 0.49 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 1rw5 n ASN 196 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1rw5 s ASN 197 N -3.85 4.57 -0.01 6.41 2.47 -1.26 -4.53 114.94 118.74 1rw5 s ASN 197 Ca -0.00 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.58 1rw5 s ASN 197 Cb 0.00 -1.75 0.01 0.00 -1.45 0.00 0.00 41.25 38.06 1rw5 s ASN 197 CO 0.01 -0.12 0.68 0.59 -3.72 0.00 0.00 177.10 174.54 1rw5 n ASN 198 N 4.76 -0.67 0.00 -4.21 5.03 -1.26 -5.04 115.26 113.87 1rw5 n ASN 198 Ca -0.16 -1.34 0.00 0.00 0.87 0.00 0.00 54.58 53.95 1rw5 n ASN 198 Cb 0.48 0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.45 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43