#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 2.86 0.28 1.96 0.04 -1.26 -4.90 135.00 133.98 1rw5 s PRO 2 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1rw5 s PRO 2 Cb 0.00 -1.98 0.51 0.00 0.04 0.00 0.00 34.50 33.08 1rw5 s PRO 2 CO 0.00 -1.34 1.86 0.82 0.04 0.00 0.00 177.00 178.37 1rw5 h ILE 3 N 0.89 0.98 -2.94 0.56 2.04 -2.03 -3.26 117.51 113.75 1rw5 h ILE 3 Ca -0.51 -0.36 -0.61 0.00 1.00 0.00 0.00 64.86 64.38 1rw5 h ILE 3 Cb 1.31 -0.16 -0.41 0.00 -0.74 0.00 0.00 36.82 36.82 1rw5 h ILE 3 CO 0.55 0.19 -0.68 0.00 0.00 0.00 0.00 178.15 178.21 1rw5 n PRO 5 N 2.43 2.71 0.00 0.00 -0.02 -1.23 -4.66 135.00 134.22 1rw5 n PRO 5 Ca 0.19 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1rw5 n PRO 5 Cb 0.37 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw5 n GLY 6 N 4.10 3.38 2.85 -1.23 0.00 -1.26 -3.29 105.19 109.73 1rw5 n GLY 6 Ca 0.18 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1rw5 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw5 n GLY 7 N 0.00 4.18 3.77 -0.02 0.00 -1.26 -5.08 105.19 106.79 1rw5 n GLY 7 Ca 0.00 -2.63 -0.41 0.00 0.00 0.00 0.00 46.02 42.98 1rw5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw5 s ALA 8 N -1.65 3.57 0.38 4.61 0.00 -1.21 -4.86 121.76 122.60 1rw5 s ALA 8 Ca 0.28 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.80 1rw5 s ALA 8 Cb -0.01 -3.59 0.76 0.00 0.00 0.00 0.00 23.12 20.28 1rw5 s ALA 8 CO -0.14 -0.96 2.00 0.00 0.00 0.00 0.00 175.76 176.66 1rw5 h ALA 9 N 3.25 1.69 -0.92 0.00 0.00 -1.98 0.15 119.26 121.46 1rw5 h ALA 9 Ca -0.50 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 1rw5 h ALA 9 Cb 1.23 -0.20 -0.28 0.00 0.00 0.00 0.00 17.79 18.54 1rw5 h ALA 9 CO 0.66 0.24 0.58 2.89 0.00 0.00 0.00 179.25 183.62 1rw5 n ARG 10 N -4.47 2.36 -0.17 0.00 1.85 -1.26 -4.66 116.66 110.31 1rw5 n ARG 10 Ca 0.08 -3.14 -0.01 0.00 -1.00 0.00 0.00 57.85 53.77 1rw5 n ARG 10 Cb 0.15 -2.17 0.08 0.00 -1.05 0.00 0.00 32.46 29.47 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 -6.14 1.92 0.13 0.00 -0.21 -1.26 -4.91 119.66 109.18 1rw5 s GLN 12 Ca -0.13 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.58 1rw5 s GLN 12 Cb 0.17 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 1rw5 s GLN 12 CO 0.73 0.33 -0.10 0.14 -2.12 0.00 0.00 175.29 174.27 1rw5 s VAL 13 N -0.15 1.05 0.27 1.09 -7.23 -1.26 -5.12 120.40 109.06 1rw5 s VAL 13 Ca -0.01 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 1rw5 s VAL 13 Cb -0.11 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 1rw5 s VAL 13 CO 0.02 -0.73 1.12 -0.89 -0.31 0.00 0.00 175.10 174.30 1rw5 s THR 14 N -3.20 3.46 0.32 5.32 2.01 -1.26 -4.92 115.64 117.37 1rw5 s THR 14 Ca 0.14 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.60 1rw5 s THR 14 Cb 0.02 -3.92 0.28 0.00 0.01 0.00 0.00 72.50 68.88 1rw5 s THR 14 CO -0.00 0.34 1.95 -0.07 -0.69 0.00 0.00 174.62 176.14 1rw5 h LEU 15 N 3.91 0.83 0.08 4.42 4.07 -2.00 -2.36 115.31 124.27 1rw5 h LEU 15 Ca -0.47 -0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.29 1rw5 h LEU 15 Cb 1.21 -0.19 0.02 0.00 1.08 0.00 0.00 40.66 42.79 1rw5 h LEU 15 CO 0.67 0.56 -0.82 0.08 -1.08 0.00 0.00 178.44 177.86 1rw5 h ARG 16 N 0.96 0.40 0.73 1.13 0.11 -1.91 -2.88 114.38 112.93 1rw5 h ARG 16 Ca 0.33 -0.55 -0.03 0.00 0.10 0.00 0.00 59.98 59.83 1rw5 h ARG 16 Cb 0.10 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1rw5 h ARG 16 CO -0.10 1.22 -0.39 0.22 0.10 0.00 0.00 179.97 181.01 1rw5 h ASP 17 N -0.15 -0.96 -0.64 0.08 3.58 -1.89 0.17 116.42 116.63 1rw5 h ASP 17 Ca -0.13 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 1rw5 h ASP 17 Cb 1.57 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.85 1rw5 h ASP 17 CO 0.16 -0.64 0.16 0.25 -2.88 0.00 0.00 179.24 176.29 1rw5 h LEU 18 N -1.04 0.98 -0.82 2.28 6.46 -1.60 -1.88 115.31 119.69 1rw5 h LEU 18 Ca -0.10 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1rw5 h LEU 18 Cb 0.81 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1rw5 h LEU 18 CO 0.13 0.94 0.51 0.15 -0.62 0.00 0.00 178.44 179.55 1rw5 h PHE 19 N 0.99 1.07 -0.67 1.25 3.04 -1.37 0.56 116.94 121.82 1rw5 h PHE 19 Ca 0.21 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1rw5 h PHE 19 Cb 0.34 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1rw5 h PHE 19 CO 0.02 0.71 0.37 -0.44 -2.02 0.00 0.00 178.31 176.95 1rw5 h ASP 20 N 1.13 0.82 -0.31 0.41 3.32 -0.03 0.87 116.42 122.62 1rw5 h ASP 20 Ca 0.30 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1rw5 h ASP 20 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1rw5 h ASP 20 CO -0.06 0.66 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.87 1rw5 h ARG 21 N 0.93 0.66 -0.12 3.56 2.43 -0.48 -2.40 114.38 118.96 1rw5 h ARG 21 Ca 0.24 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1rw5 h ARG 21 Cb 0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1rw5 h ARG 21 CO -0.04 0.88 -0.06 0.00 -1.51 0.00 0.00 179.97 179.25 1rw5 h ALA 22 N 0.76 1.69 -0.28 2.80 0.00 -0.20 0.60 119.26 124.62 1rw5 h ALA 22 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1rw5 h ALA 22 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rw5 h ALA 22 CO 0.05 0.23 -0.11 0.28 0.00 0.00 0.00 179.25 179.70 1rw5 h VAL 23 N 0.17 1.29 0.04 0.00 2.07 -0.51 -2.76 116.25 116.54 1rw5 h VAL 23 Ca 0.04 -1.19 -0.24 0.00 0.82 0.00 0.00 66.70 66.13 1rw5 h VAL 23 Cb 0.22 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1rw5 h VAL 23 CO 0.01 0.38 -1.04 0.58 0.02 0.00 0.00 177.57 177.52 1rw5 h VAL 24 N 0.33 1.41 -0.69 2.57 2.07 -0.94 -3.19 116.25 117.82 1rw5 h VAL 24 Ca 0.07 -2.59 0.13 0.00 0.82 0.00 0.00 66.70 65.13 1rw5 h VAL 24 Cb 0.62 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1rw5 h VAL 24 CO 0.04 0.77 0.46 0.25 0.02 0.00 0.00 177.57 179.11 1rw5 h LEU 25 N 0.20 0.37 -1.69 2.57 5.85 0.23 0.44 115.31 123.28 1rw5 h LEU 25 Ca -0.10 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rw5 h LEU 25 Cb 1.70 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1rw5 h LEU 25 CO 0.18 0.20 0.23 0.28 -0.34 0.00 0.00 178.44 178.99 1rw5 h SER 26 N 0.40 0.36 0.34 1.25 0.02 -1.47 -1.20 113.55 113.25 1rw5 h SER 26 Ca 0.33 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.14 1rw5 h SER 26 Cb 0.74 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1rw5 h SER 26 CO -0.10 0.26 -0.56 0.45 -1.14 0.00 0.00 176.83 175.74 1rw5 h HIS 27 N 0.43 0.30 0.13 3.45 3.86 -1.06 -2.68 115.15 119.58 1rw5 h HIS 27 Ca 0.13 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1rw5 h HIS 27 Cb 0.02 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1rw5 h HIS 27 CO -0.00 0.75 -0.07 -0.92 0.86 0.00 0.00 177.93 178.55 1rw5 h TYR 28 N 0.18 -0.17 -0.35 2.45 3.20 -1.15 -1.24 116.97 119.89 1rw5 h TYR 28 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1rw5 h TYR 28 Cb 1.05 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1rw5 h TYR 28 CO 0.02 -0.11 0.19 0.82 -1.64 0.00 0.00 178.16 177.44 1rw5 h ILE 29 N -0.18 1.11 -0.46 1.81 2.04 -1.51 -0.84 117.51 119.49 1rw5 h ILE 29 Ca -0.02 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1rw5 h ILE 29 Cb 0.14 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1rw5 h ILE 29 CO 0.03 0.12 0.26 -0.74 0.00 0.00 0.00 178.15 177.82 1rw5 h HIS 30 N 0.48 0.49 -0.49 1.37 2.76 -0.95 0.23 115.15 119.03 1rw5 h HIS 30 Ca 0.12 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1rw5 h HIS 30 Cb 0.02 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1rw5 h HIS 30 CO 0.00 0.27 0.09 -0.91 -1.30 0.00 0.00 177.93 176.08 1rw5 h ASN 31 N 0.53 0.76 0.27 3.26 2.35 -0.10 0.81 115.58 123.46 1rw5 h ASN 31 Ca 0.19 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1rw5 h ASN 31 Cb 0.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1rw5 h ASN 31 CO -0.10 0.82 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.31 1rw5 h LEU 32 N 0.67 -0.31 -0.90 1.61 3.38 -0.44 0.44 115.31 119.77 1rw5 h LEU 32 Ca 0.15 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1rw5 h LEU 32 Cb 0.38 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1rw5 h LEU 32 CO 0.01 -0.22 -0.50 0.77 0.09 0.00 0.00 178.44 178.58 1rw5 h SER 33 N -0.37 0.12 0.28 -0.43 4.64 -0.49 -1.21 113.55 116.09 1rw5 h SER 33 Ca -0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1rw5 h SER 33 Cb 0.28 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1rw5 h SER 33 CO 0.06 0.60 -0.13 -1.28 -0.87 0.00 0.00 176.83 175.21 1rw5 h SER 34 N 0.09 -0.32 -0.32 4.97 0.87 0.10 -2.77 113.55 116.17 1rw5 h SER 34 Ca 0.00 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1rw5 h SER 34 Cb 0.92 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1rw5 h SER 34 CO 0.07 0.07 0.00 -0.33 -0.53 0.00 0.00 176.83 176.11 1rw5 h GLU 35 N -0.96 0.56 -0.66 2.24 5.08 -0.22 -1.05 114.58 119.57 1rw5 h GLU 35 Ca -0.04 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1rw5 h GLU 35 Cb 0.29 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1rw5 h GLU 35 CO 0.06 0.69 0.36 1.98 -1.00 0.00 0.00 179.01 181.11 1rw5 h MET 36 N 0.37 0.65 -0.23 2.33 4.05 -1.32 0.18 114.93 120.96 1rw5 h MET 36 Ca 0.09 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1rw5 h MET 36 Cb 0.44 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1rw5 h MET 36 CO 0.02 0.43 -0.02 0.35 0.23 0.00 0.00 176.91 177.92 1rw5 h PHE 37 N 0.67 0.47 -0.62 1.39 3.57 -1.35 -2.18 116.94 118.88 1rw5 h PHE 37 Ca 0.30 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1rw5 h PHE 37 Cb 0.19 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1rw5 h PHE 37 CO -0.08 0.62 0.37 0.77 -2.23 0.00 0.00 178.31 177.76 1rw5 h SER 38 N 0.18 0.75 -0.92 0.41 0.02 -0.58 0.11 113.55 113.53 1rw5 h SER 38 Ca 0.06 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1rw5 h SER 38 Cb 0.44 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1rw5 h SER 38 CO 0.02 0.59 0.60 -0.33 -1.14 0.00 0.00 176.83 176.57 1rw5 h GLU 39 N 0.85 1.12 -0.20 3.45 5.08 -0.58 -0.52 114.58 123.77 1rw5 h GLU 39 Ca 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1rw5 h GLU 39 Cb -0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1rw5 h GLU 39 CO -0.04 0.74 0.03 0.35 -1.00 0.00 0.00 179.01 179.09 1rw5 h PHE 40 N 1.15 0.36 -0.64 4.33 3.57 -0.60 -1.27 116.94 123.84 1rw5 h PHE 40 Ca 0.36 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.88 1rw5 h PHE 40 Cb 0.01 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1rw5 h PHE 40 CO -0.00 0.48 0.33 -0.44 -2.23 0.00 0.00 178.31 176.45 1rw5 h ASP 41 N 0.13 0.46 0.65 0.41 3.32 0.20 0.68 116.42 122.28 1rw5 h ASP 41 Ca 0.06 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1rw5 h ASP 41 Cb 0.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1rw5 h ASP 41 CO 0.00 0.29 -0.41 0.11 -1.72 0.00 0.00 179.24 177.52 1rw5 h LYS 42 N 0.60 0.00 0.05 3.56 6.56 -0.98 0.44 116.57 126.80 1rw5 h LYS 42 Ca 0.30 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.56 1rw5 h LYS 42 Cb 0.24 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.86 1rw5 h LYS 42 CO -0.21 0.41 -1.91 0.54 -2.06 0.00 0.00 179.45 176.22 1rw5 n ARG 43 N -3.72 0.68 -0.01 3.15 1.74 -0.49 -3.96 116.66 114.06 1rw5 n ARG 43 Ca -0.01 0.25 0.04 0.00 -0.77 0.00 0.00 57.85 57.36 1rw5 n ARG 43 Cb 0.49 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rw5 n TYR 44 N -3.19 0.00 -1.36 -1.55 4.02 0.23 -4.65 117.16 110.66 1rw5 n TYR 44 Ca -0.25 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.72 1rw5 n TYR 44 Cb 1.06 -0.24 0.18 0.00 -0.02 0.00 0.00 39.34 40.31 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 -1.87 2.05 -1.55 -0.72 -2.24 0.14 -4.92 114.28 105.17 1rw5 n THR 45 Ca -0.03 -2.79 -0.31 0.00 -2.27 0.00 0.00 64.05 58.65 1rw5 n THR 45 Cb 0.29 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1rw5 n THR 45 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rw5 n HIS 46 N -1.26 1.25 -0.91 4.78 -0.00 -0.46 -1.23 115.22 117.39 1rw5 n HIS 46 Ca 0.18 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1rw5 n HIS 46 Cb 0.67 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 1rw5 n HIS 46 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rw5 n GLY 47 N 6.22 0.45 0.37 1.57 0.00 -1.26 -4.94 105.19 107.60 1rw5 n GLY 47 Ca 0.43 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1rw5 n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rw5 h ARG 48 N 0.20 1.21 0.00 1.61 2.47 -1.53 -3.45 114.38 114.89 1rw5 h ARG 48 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1rw5 h ARG 48 Cb 0.00 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.05 1rw5 h ARG 48 CO 0.00 0.80 0.00 0.41 0.56 0.00 0.00 179.97 181.74 1rw5 n GLY 49 N -1.39 1.60 0.38 0.04 0.00 -1.26 -4.55 105.19 100.01 1rw5 n GLY 49 Ca 0.12 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.26 1rw5 n GLY 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1rw5 h PHE 50 N 0.00 0.14 0.00 1.61 -5.15 -1.98 0.38 116.94 111.94 1rw5 h PHE 50 Ca 0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.75 1rw5 h PHE 50 Cb 0.00 -0.04 -0.00 0.00 0.22 0.00 0.00 35.95 36.12 1rw5 h PHE 50 CO 0.00 0.06 -0.13 -0.84 -2.00 0.00 0.00 178.31 175.39 1rw5 h ILE 51 N 0.12 0.45 0.00 0.88 3.07 -1.96 -2.35 117.51 117.72 1rw5 h ILE 51 Ca 0.28 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1rw5 h ILE 51 Cb 0.94 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1rw5 h ILE 51 CO -0.03 0.13 0.00 0.35 -1.05 0.00 0.00 178.15 177.55 1rw5 n THR 52 N -3.45 1.15 -1.66 0.16 -2.24 0.13 -4.79 114.28 103.59 1rw5 n THR 52 Ca -0.01 0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.67 1rw5 n THR 52 Cb 0.30 -1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1rw5 n THR 52 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rw5 n LYS 53 N -1.68 1.76 -1.83 -0.78 3.00 -0.89 -4.75 118.16 113.00 1rw5 n LYS 53 Ca 0.02 0.62 -0.21 0.00 -0.00 0.00 0.00 58.31 58.75 1rw5 n LYS 53 Cb 0.14 -2.18 -0.07 0.00 0.00 0.00 0.00 35.03 32.93 1rw5 n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rw5 s ALA 54 N -1.15 1.19 -0.17 3.14 0.00 -1.26 -4.88 121.76 118.63 1rw5 s ALA 54 Ca 0.59 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1rw5 s ALA 54 Cb -0.58 -4.59 -0.00 0.00 0.00 0.00 0.00 23.12 17.94 1rw5 s ALA 54 CO 0.60 -5.49 -0.12 0.42 0.00 0.00 0.00 175.76 171.16 1rw5 s ILE 55 N 12.66 2.88 -0.13 0.00 -1.09 -1.26 -4.97 121.20 129.28 1rw5 s ILE 55 Ca 0.79 -0.69 0.18 0.00 -2.23 0.00 0.00 60.65 58.70 1rw5 s ILE 55 Cb -0.08 -2.24 0.43 0.00 -1.58 0.00 0.00 42.46 38.99 1rw5 s ILE 55 CO 0.06 0.50 1.19 0.59 -1.23 0.00 0.00 174.94 176.04 1rw5 n ASN 56 N 4.18 1.62 -4.73 3.58 3.02 -1.26 -5.03 115.26 116.64 1rw5 n ASN 56 Ca -0.19 -2.97 -0.40 0.00 -0.03 0.00 0.00 54.58 50.99 1rw5 n ASN 56 Cb 0.52 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1rw5 n ASN 56 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rw5 n SER 57 N -0.38 2.73 -3.66 6.41 7.64 -1.26 -5.00 113.62 120.10 1rw5 n SER 57 Ca 0.14 1.06 -0.09 0.00 1.01 0.00 0.00 58.87 61.00 1rw5 n SER 57 Cb 0.91 -1.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 h HIS 59 N 6.79 0.89 0.00 0.00 3.86 -1.94 -3.08 115.15 121.67 1rw5 h HIS 59 Ca -0.32 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.45 1rw5 h HIS 59 Cb 1.21 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1rw5 h HIS 59 CO 0.15 1.26 0.00 1.79 0.86 0.00 0.00 177.93 181.99 1rw5 h THR 60 N 0.39 0.00 -0.08 2.45 1.35 -1.97 -2.68 112.91 112.36 1rw5 h THR 60 Ca -0.08 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.55 1rw5 h THR 60 Cb 1.52 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1rw5 h THR 60 CO 0.17 0.00 0.10 0.77 -0.25 0.00 0.00 175.52 176.31 1rw5 h SER 61 N 0.00 0.00 -0.61 5.36 4.64 -1.95 -1.25 113.55 119.74 1rw5 h SER 61 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1rw5 h SER 61 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1rw5 h SER 61 CO 0.00 0.00 0.41 0.28 -0.87 0.00 0.00 176.83 176.65 1rw5 h SER 62 N 0.00 0.29 -4.15 4.97 0.02 -1.68 -3.42 113.55 109.58 1rw5 h SER 62 Ca 0.04 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.49 1rw5 h SER 62 Cb 0.25 -0.05 0.10 0.00 0.14 0.00 0.00 62.40 62.84 1rw5 h SER 62 CO -0.00 0.16 0.40 -0.76 -1.14 0.00 0.00 176.83 175.50 1rw5 s LEU 63 N -9.21 3.52 -0.96 5.07 2.01 -0.47 -4.84 118.68 113.80 1rw5 s LEU 63 Ca -0.07 2.14 -0.13 0.00 0.01 0.00 0.00 54.13 56.08 1rw5 s LEU 63 Cb 0.20 -4.57 -0.08 0.00 0.01 0.00 0.00 46.19 41.74 1rw5 s LEU 63 CO 0.75 -1.57 2.11 0.00 1.01 0.00 0.00 176.35 178.65 1rw5 n ALA 64 N -2.01 4.47 -1.78 4.21 0.00 -1.26 -4.91 120.51 119.23 1rw5 n ALA 64 Ca 0.11 -2.75 -0.32 0.00 0.00 0.00 0.00 53.44 50.49 1rw5 n ALA 64 Cb 0.51 -3.31 -0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 3.89 4.39 0.11 0.00 -4.23 -1.26 -4.96 115.64 113.58 1rw5 s THR 65 Ca 0.49 0.99 -0.32 0.00 -1.18 0.00 0.00 61.69 61.66 1rw5 s THR 65 Cb 0.13 -3.66 -0.12 0.00 1.34 0.00 0.00 72.50 70.19 1rw5 s THR 65 CO 0.02 -0.81 1.77 -0.81 -0.54 0.00 0.00 174.62 174.25 1rw5 n PRO 66 N -2.18 2.55 -0.14 3.99 -0.04 -1.26 -4.89 135.00 133.02 1rw5 n PRO 66 Ca 0.07 0.92 -0.05 0.00 -0.04 0.00 0.00 63.50 64.40 1rw5 n PRO 66 Cb 0.54 -2.78 0.14 0.00 -0.04 0.00 0.00 33.50 31.36 1rw5 n PRO 66 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1rw5 h GLU 67 N 7.83 0.87 0.00 0.54 4.81 -1.92 -3.47 114.58 123.24 1rw5 h GLU 67 Ca -0.46 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.46 1rw5 h GLU 67 Cb 1.23 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1rw5 h GLU 67 CO 0.93 0.85 0.03 -0.40 -0.73 0.00 0.00 179.01 179.69 1rw5 n ASP 68 N -4.22 -0.90 -0.18 1.04 5.68 -1.26 -5.02 116.55 111.69 1rw5 n ASP 68 Ca 0.03 -1.86 -0.06 0.00 -0.50 0.00 0.00 54.79 52.40 1rw5 n ASP 68 Cb 0.29 1.57 0.11 0.00 -1.14 0.00 0.00 41.12 41.95 1rw5 n ASP 68 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1rw5 h LYS 69 N 0.00 0.95 -0.56 0.11 1.79 -2.00 -2.21 116.57 114.65 1rw5 h LYS 69 Ca -0.15 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.04 1rw5 h LYS 69 Cb 0.60 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1rw5 h LYS 69 CO 0.20 0.89 0.20 0.93 -1.08 0.00 0.00 179.45 180.59 1rw5 h GLU 70 N 0.90 0.84 -0.22 3.15 5.08 -2.00 -2.49 114.58 119.84 1rw5 h GLU 70 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1rw5 h GLU 70 Cb 0.41 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1rw5 h GLU 70 CO 0.01 0.75 -0.23 0.37 -1.00 0.00 0.00 179.01 178.91 1rw5 h GLN 71 N 0.77 0.40 -0.44 2.33 4.15 -1.92 -2.86 115.11 117.53 1rw5 h GLN 71 Ca 0.18 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.54 1rw5 h GLN 71 Cb 0.23 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 1rw5 h GLN 71 CO -0.01 0.61 0.07 0.00 -1.93 0.00 0.00 178.83 177.56 1rw5 h ALA 72 N 1.41 0.47 -0.73 3.38 0.00 -0.94 0.85 119.26 123.69 1rw5 h ALA 72 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1rw5 h ALA 72 Cb 0.60 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1rw5 h ALA 72 CO 0.04 -0.33 0.41 1.96 0.00 0.00 0.00 179.25 181.33 1rw5 h GLN 73 N 0.19 1.01 -0.30 0.00 4.20 -1.40 -1.14 115.11 117.67 1rw5 h GLN 73 Ca 0.22 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1rw5 h GLN 73 Cb 0.29 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1rw5 h GLN 73 CO -0.31 0.73 -0.19 1.96 -0.67 0.00 0.00 178.83 180.35 1rw5 h GLN 74 N 1.02 0.55 0.00 1.46 4.20 -0.39 -3.29 115.11 118.66 1rw5 h GLN 74 Ca 0.26 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1rw5 h GLN 74 Cb 0.01 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1rw5 h GLN 74 CO -0.04 0.72 0.00 -1.33 -0.67 0.00 0.00 178.83 177.50 1rw5 n MET 75 N -4.15 0.00 0.00 1.46 2.81 0.26 -4.91 117.12 112.59 1rw5 n MET 75 Ca 0.00 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 1rw5 n MET 75 Cb 0.38 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.95 -3.53 -0.26 7.83 5.03 -1.16 -4.89 115.26 116.33 1rw5 n ASN 76 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1rw5 n ASN 76 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1rw5 n ASN 76 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1rw5 n GLN 77 N -1.10 0.00 0.00 3.52 -0.06 -1.26 -3.72 117.38 114.76 1rw5 n GLN 77 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1rw5 n GLN 77 Cb 0.00 0.00 0.51 0.00 -4.06 0.00 0.00 30.24 26.69 1rw5 n GLN 77 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1rw5 n LYS 78 N -0.51 0.98 -0.33 3.69 5.02 -1.26 -4.14 118.16 121.60 1rw5 n LYS 78 Ca 0.00 -0.49 0.04 0.00 -2.02 0.00 0.00 58.31 55.84 1rw5 n LYS 78 Cb 0.00 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.71 1rw5 n LYS 78 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1rw5 h ASP 79 N 1.20 0.85 0.28 4.39 3.32 -1.91 0.45 116.42 125.00 1rw5 h ASP 79 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1rw5 h ASP 79 Cb 0.43 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1rw5 h ASP 79 CO 0.00 0.49 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.62 1rw5 h PHE 80 N 0.95 -0.35 -0.78 4.55 -1.00 -1.74 0.17 116.94 118.74 1rw5 h PHE 80 Ca 0.43 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.18 1rw5 h PHE 80 Cb 0.34 0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 1rw5 h PHE 80 CO -0.03 -0.13 0.39 -0.07 -1.61 0.00 0.00 178.31 176.87 1rw5 h LEU 81 N -0.52 1.00 -0.69 1.54 4.07 -1.66 -2.46 115.31 116.60 1rw5 h LEU 81 Ca -0.04 -0.10 -0.14 0.00 0.08 0.00 0.00 57.88 57.68 1rw5 h LEU 81 Cb 0.38 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1rw5 h LEU 81 CO 0.06 0.83 -0.48 0.77 -1.08 0.00 0.00 178.44 178.55 1rw5 h SER 82 N 1.11 0.46 -0.62 -0.43 4.64 0.06 -3.15 113.55 115.62 1rw5 h SER 82 Ca 0.27 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1rw5 h SER 82 Cb 0.08 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1rw5 h SER 82 CO -0.04 0.87 0.08 -0.07 -0.87 0.00 0.00 176.83 176.81 1rw5 h LEU 83 N 0.34 1.02 -0.40 5.97 3.38 -0.21 -3.04 115.31 122.37 1rw5 h LEU 83 Ca 0.02 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 83 Cb 0.97 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1rw5 h LEU 83 CO 0.08 1.02 0.07 0.40 0.09 0.00 0.00 178.44 180.11 1rw5 h ILE 84 N 0.99 0.79 -0.77 1.22 2.04 -1.43 -1.74 117.51 118.60 1rw5 h ILE 84 Ca 0.19 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1rw5 h ILE 84 Cb 0.45 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1rw5 h ILE 84 CO 0.02 0.04 0.46 0.58 0.00 0.00 0.00 178.15 179.24 1rw5 h VAL 85 N 0.20 1.01 -0.83 1.67 2.07 -1.61 -1.72 116.25 117.03 1rw5 h VAL 85 Ca 0.19 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1rw5 h VAL 85 Cb 0.23 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1rw5 h VAL 85 CO -0.26 0.15 0.40 -1.28 0.02 0.00 0.00 177.57 176.60 1rw5 h SER 86 N 0.84 1.09 0.46 0.57 0.87 -1.30 -1.71 113.55 114.37 1rw5 h SER 86 Ca 0.34 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1rw5 h SER 86 Cb 0.18 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1rw5 h SER 86 CO -0.18 0.93 -0.22 0.40 -0.53 0.00 0.00 176.83 177.23 1rw5 h ILE 87 N 1.19 0.44 -0.83 2.23 2.04 -0.55 -1.41 117.51 120.61 1rw5 h ILE 87 Ca 0.29 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1rw5 h ILE 87 Cb 0.13 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1rw5 h ILE 87 CO -0.04 0.07 0.54 -0.07 0.00 0.00 0.00 178.15 178.65 1rw5 h LEU 88 N -0.92 0.91 -0.77 1.44 3.38 -1.34 -2.45 115.31 115.56 1rw5 h LEU 88 Ca -0.06 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1rw5 h LEU 88 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1rw5 h LEU 88 CO 0.10 0.64 -0.41 0.03 0.09 0.00 0.00 178.44 178.90 1rw5 h ARG 89 N 1.07 0.44 -0.09 1.13 3.08 -1.35 -2.94 114.38 115.73 1rw5 h ARG 89 Ca 0.32 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1rw5 h ARG 89 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1rw5 h ARG 89 CO -0.09 0.78 -0.07 0.66 -1.07 0.00 0.00 179.97 180.18 1rw5 h SER 90 N 0.37 0.12 1.18 7.04 4.64 -0.77 -2.19 113.55 123.93 1rw5 h SER 90 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rw5 h SER 90 Cb 0.87 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1rw5 h SER 90 CO 0.07 0.21 -0.21 0.79 -0.87 0.00 0.00 176.83 176.82 1rw5 n TRP 91 N -4.39 0.64 -0.29 4.77 7.02 -1.11 -3.82 117.44 120.27 1rw5 n TRP 91 Ca -0.01 0.19 0.04 0.00 -1.02 0.00 0.00 57.50 56.69 1rw5 n TRP 91 Cb 0.19 -0.76 0.25 0.00 -2.42 0.00 0.00 31.31 28.56 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 0.00 0.89 0.12 -0.99 -1.24 -1.36 -1.82 115.58 111.18 1rw5 h ASN 92 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1rw5 h ASN 92 Cb 0.69 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1rw5 h ASN 92 CO 0.00 0.58 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.58 1rw5 h GLU 93 N 1.02 -0.16 -1.00 6.67 4.57 -1.73 -3.14 114.58 120.80 1rw5 h GLU 93 Ca 0.38 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.78 1rw5 h GLU 93 Cb 0.18 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.70 1rw5 h GLU 93 CO -0.14 0.08 0.61 -1.35 -1.18 0.00 0.00 179.01 177.04 1rw5 h PRO 94 N -1.01 0.68 -0.20 0.92 0.11 -1.70 0.14 132.00 130.93 1rw5 h PRO 94 Ca -0.02 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1rw5 h PRO 94 Cb 0.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1rw5 h PRO 94 CO 0.03 0.45 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.93 1rw5 h LEU 95 N 0.70 0.38 -0.44 2.35 3.38 -1.45 -2.81 115.31 117.40 1rw5 h LEU 95 Ca 0.59 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.50 1rw5 h LEU 95 Cb 1.01 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1rw5 h LEU 95 CO -0.39 0.64 0.13 0.22 0.09 0.00 0.00 178.44 179.13 1rw5 h TYR 96 N 0.33 0.23 -0.40 1.13 3.20 -0.67 -1.94 116.97 118.84 1rw5 h TYR 96 Ca 0.05 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 1rw5 h TYR 96 Cb 0.65 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1rw5 h TYR 96 CO 0.02 0.06 -0.29 0.45 -1.64 0.00 0.00 178.16 176.76 1rw5 h HIS 97 N 0.29 1.01 -0.85 -3.82 3.86 -1.46 -2.01 115.15 112.17 1rw5 h HIS 97 Ca 0.21 -0.26 0.13 0.00 -1.16 0.00 0.00 60.37 59.28 1rw5 h HIS 97 Cb 0.23 -0.23 -0.09 0.00 1.06 0.00 0.00 27.41 28.39 1rw5 h HIS 97 CO -0.17 1.05 0.46 -0.07 0.86 0.00 0.00 177.93 180.05 1rw5 h LEU 98 N 0.73 0.61 -0.41 2.43 3.38 -1.13 0.40 115.31 121.33 1rw5 h LEU 98 Ca 0.08 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1rw5 h LEU 98 Cb 0.84 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1rw5 h LEU 98 CO 0.07 0.30 -0.45 0.58 0.09 0.00 0.00 178.44 179.03 1rw5 h VAL 99 N 0.71 1.28 -0.10 1.22 2.07 -1.21 -0.96 116.25 119.26 1rw5 h VAL 99 Ca 0.44 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1rw5 h VAL 99 Cb 0.53 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1rw5 h VAL 99 CO -0.31 0.54 0.01 0.71 0.02 0.00 0.00 177.57 178.54 1rw5 h THR 100 N 0.67 1.22 -0.32 2.57 1.35 -0.19 0.15 112.91 118.36 1rw5 h THR 100 Ca 0.04 -0.70 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 1rw5 h THR 100 Cb 1.04 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1rw5 h THR 100 CO 0.10 0.20 -0.38 -0.33 -0.25 0.00 0.00 175.52 174.86 1rw5 h GLU 101 N -0.08 0.82 -0.41 4.72 4.39 -0.34 -3.11 114.58 120.58 1rw5 h GLU 101 Ca 0.03 -0.46 -0.13 0.00 0.34 0.00 0.00 59.36 59.15 1rw5 h GLU 101 Cb 0.30 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1rw5 h GLU 101 CO 0.00 1.09 -0.25 0.28 -1.16 0.00 0.00 179.01 178.97 1rw5 h VAL 102 N 0.60 1.27 -0.96 3.13 2.07 -1.16 -1.94 116.25 119.26 1rw5 h VAL 102 Ca 0.04 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.26 1rw5 h VAL 102 Cb 0.97 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1rw5 h VAL 102 CO 0.09 0.47 0.62 -0.09 0.02 0.00 0.00 177.57 178.68 1rw5 h ARG 103 N 0.73 0.98 -0.52 1.57 2.43 -0.66 -1.02 114.38 117.89 1rw5 h ARG 103 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1rw5 h ARG 103 Cb 0.80 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1rw5 h ARG 103 CO 0.07 0.65 0.00 0.41 -1.51 0.00 0.00 179.97 179.59 1rw5 n GLY 104 N -1.37 1.77 3.57 2.80 0.00 -1.12 -4.87 105.19 105.96 1rw5 n GLY 104 Ca 0.17 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.32 3.61 0.35 1.61 -2.45 -0.39 -4.91 119.30 115.81 1rw5 s MET 105 Ca 0.41 0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.98 1rw5 s MET 105 Cb 0.22 -3.85 0.66 0.00 1.25 0.00 0.00 34.83 33.11 1rw5 s MET 105 CO 0.30 -0.89 1.92 1.96 1.05 0.00 0.00 175.02 179.36 1rw5 h GLN 106 N 8.62 0.56 0.00 4.11 4.20 -1.89 -1.75 115.11 128.96 1rw5 h GLN 106 Ca -0.25 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1rw5 h GLN 106 Cb 1.10 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 1rw5 h GLN 106 CO 0.90 0.51 -0.16 0.93 -0.67 0.00 0.00 178.83 180.35 1rw5 h GLU 107 N 0.55 0.00 -2.18 1.46 5.08 -1.95 -3.29 114.58 114.26 1rw5 h GLU 107 Ca 0.13 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.91 1rw5 h GLU 107 Cb 0.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.06 1rw5 h GLU 107 CO -0.00 0.16 -0.91 0.00 -1.00 0.00 0.00 179.01 177.25 1rw5 n ALA 108 N -2.51 3.01 -2.58 3.43 0.00 -0.68 -5.04 120.51 116.14 1rw5 n ALA 108 Ca -0.03 -3.82 -0.41 0.00 0.00 0.00 0.00 53.44 49.19 1rw5 n ALA 108 Cb 0.22 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1rw5 n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rw5 s PRO 109 N -1.39 3.75 -0.71 0.00 0.04 -1.05 -4.17 135.00 131.47 1rw5 s PRO 109 Ca 0.35 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1rw5 s PRO 109 Cb 0.13 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1rw5 s PRO 109 CO -0.10 -0.57 0.00 -1.91 0.04 0.00 0.00 177.00 174.46 1rw5 n GLU 110 N 5.72 -1.40 0.00 4.56 2.13 -1.26 -4.84 120.64 125.55 1rw5 n GLU 110 Ca -0.04 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1rw5 n GLU 110 Cb 0.49 -4.86 0.00 0.00 0.27 0.00 0.00 31.44 27.34 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw5 n ALA 111 N 1.12 0.80 0.18 4.31 0.00 -1.26 -4.34 120.51 121.31 1rw5 n ALA 111 Ca -0.07 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.26 1rw5 n ALA 111 Cb 0.45 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.20 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 1.01 -0.27 0.00 2.04 -1.88 -2.96 117.51 115.45 1rw5 h ILE 112 Ca 0.00 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 1rw5 h ILE 112 Cb 0.00 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1rw5 h ILE 112 CO 0.00 0.42 -0.02 0.25 0.00 0.00 0.00 178.15 178.80 1rw5 h LEU 113 N 0.00 0.39 -0.68 1.44 6.46 -1.83 -2.08 115.31 119.00 1rw5 h LEU 113 Ca -0.00 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1rw5 h LEU 113 Cb 0.93 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.69 1rw5 h LEU 113 CO 0.06 0.46 0.31 -1.28 -0.62 0.00 0.00 178.44 177.37 1rw5 h SER 114 N 0.40 0.37 0.72 1.25 0.87 -1.71 0.13 113.55 115.57 1rw5 h SER 114 Ca 0.09 0.07 -0.23 0.00 -1.23 0.00 0.00 61.79 60.49 1rw5 h SER 114 Cb 0.29 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1rw5 h SER 114 CO 0.01 0.20 -1.07 0.11 -0.53 0.00 0.00 176.83 175.56 1rw5 h LYS 115 N 0.52 0.18 -0.71 2.24 1.79 -1.66 -3.19 116.57 115.74 1rw5 h LYS 115 Ca 0.34 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1rw5 h LYS 115 Cb 0.40 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1rw5 h LYS 115 CO -0.30 1.08 0.17 0.00 -1.08 0.00 0.00 179.45 179.33 1rw5 h ALA 116 N 0.81 0.96 -0.23 3.86 0.00 -0.55 0.57 119.26 124.68 1rw5 h ALA 116 Ca -0.07 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1rw5 h ALA 116 Cb 1.78 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1rw5 h ALA 116 CO 0.16 0.67 -0.52 -0.39 0.00 0.00 0.00 179.25 179.17 1rw5 h VAL 117 N 1.08 1.30 0.00 0.00 -1.51 -0.87 -2.95 116.25 113.29 1rw5 h VAL 117 Ca 0.22 -1.74 -0.17 0.00 -1.23 0.00 0.00 66.70 63.78 1rw5 h VAL 117 Cb 0.38 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 1rw5 h VAL 117 CO 0.00 0.55 -0.91 1.05 -1.23 0.00 0.00 177.57 177.03 1rw5 h GLU 118 N 0.52 0.00 -0.36 5.19 4.11 -1.50 -3.14 114.58 119.40 1rw5 h GLU 118 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 1rw5 h GLU 118 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1rw5 h GLU 118 CO 0.11 0.64 -0.37 0.97 0.07 0.00 0.00 179.01 180.43 1rw5 h ILE 119 N 0.00 1.28 -0.23 -1.06 2.10 0.16 0.15 117.51 119.91 1rw5 h ILE 119 Ca -0.05 -1.54 -0.10 0.00 1.08 0.00 0.00 64.86 64.24 1rw5 h ILE 119 Cb 1.60 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 38.72 1rw5 h ILE 119 CO 0.09 0.51 -0.29 -0.08 -1.08 0.00 0.00 178.15 177.30 1rw5 h GLU 120 N 0.69 0.46 0.00 2.19 4.81 -1.61 -1.17 114.58 119.96 1rw5 h GLU 120 Ca 0.06 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 1rw5 h GLU 120 Cb 0.94 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1rw5 h GLU 120 CO 0.09 0.71 -0.61 1.49 -0.73 0.00 0.00 179.01 179.95 1rw5 h GLU 121 N 0.41 0.41 -0.56 1.92 4.81 -1.44 -3.17 114.58 116.96 1rw5 h GLU 121 Ca 0.05 -0.45 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1rw5 h GLU 121 Cb 0.71 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1rw5 h GLU 121 CO 0.05 1.11 0.02 0.37 -0.73 0.00 0.00 179.01 179.84 1rw5 h GLN 122 N -0.11 0.93 -0.68 1.92 5.75 -0.65 -1.98 115.11 120.29 1rw5 h GLN 122 Ca -0.08 -0.26 0.06 0.00 -0.15 0.00 0.00 58.65 58.22 1rw5 h GLN 122 Cb 1.33 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 1rw5 h GLN 122 CO 0.12 0.91 0.45 1.79 -2.65 0.00 0.00 178.83 179.45 1rw5 h THR 123 N 0.87 1.01 0.02 2.39 1.35 -1.27 0.53 112.91 117.81 1rw5 h THR 123 Ca 0.17 -0.23 -0.23 0.00 -0.55 0.00 0.00 66.41 65.57 1rw5 h THR 123 Cb 0.48 0.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1rw5 h THR 123 CO 0.02 0.12 -0.98 0.11 -0.25 0.00 0.00 175.52 174.55 1rw5 h LYS 124 N 0.68 0.32 -0.20 4.72 1.57 -1.41 -1.55 116.57 120.69 1rw5 h LYS 124 Ca 0.29 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1rw5 h LYS 124 Cb 0.28 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1rw5 h LYS 124 CO -0.09 1.08 0.12 0.00 -0.57 0.00 0.00 179.45 179.99 1rw5 h ARG 125 N 0.16 0.27 -0.90 3.15 2.47 -0.38 0.34 114.38 119.49 1rw5 h ARG 125 Ca -0.08 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1rw5 h ARG 125 Cb 1.63 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.85 1rw5 h ARG 125 CO 0.16 0.22 0.50 1.25 0.56 0.00 0.00 179.97 182.66 1rw5 h LEU 126 N 0.24 1.13 -0.50 3.04 6.46 -0.96 -0.03 115.31 124.68 1rw5 h LEU 126 Ca 0.07 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1rw5 h LEU 126 Cb 0.02 -0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 39.64 1rw5 h LEU 126 CO -0.01 0.90 0.31 0.25 -0.62 0.00 0.00 178.44 179.27 1rw5 h LEU 127 N 1.26 0.52 -0.47 2.25 5.85 -0.20 0.44 115.31 124.97 1rw5 h LEU 127 Ca 0.32 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 1rw5 h LEU 127 Cb 0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1rw5 h LEU 127 CO -0.05 0.37 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.00 1rw5 h GLU 128 N 0.63 0.90 -0.85 1.25 4.39 0.31 0.21 114.58 121.42 1rw5 h GLU 128 Ca 0.19 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1rw5 h GLU 128 Cb -0.03 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1rw5 h GLU 128 CO -0.07 0.98 0.42 0.78 -1.16 0.00 0.00 179.01 179.96 1rw5 h GLY 129 N 0.75 1.30 1.24 -3.84 0.00 -0.47 -2.58 103.07 99.46 1rw5 h GLY 129 Ca 0.12 -0.63 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1rw5 h GLY 129 CO 0.04 0.60 -0.57 -0.33 0.00 0.00 0.00 176.54 176.29 1rw5 h MET 130 N 1.20 0.80 -0.12 4.80 2.86 0.21 -2.78 114.93 121.90 1rw5 h MET 130 Ca 0.29 -0.52 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1rw5 h MET 130 Cb 0.10 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1rw5 h MET 130 CO -0.04 1.14 0.08 0.93 1.06 0.00 0.00 176.91 180.09 1rw5 h GLU 131 N 0.61 0.06 0.00 1.72 5.08 -0.21 0.84 114.58 122.68 1rw5 h GLU 131 Ca 0.01 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1rw5 h GLU 131 Cb 1.16 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1rw5 h GLU 131 CO 0.12 0.04 -1.27 1.37 -1.00 0.00 0.00 179.01 178.27 1rw5 h LEU 132 N 0.06 0.02 0.08 1.33 8.10 -1.44 -1.47 115.31 121.99 1rw5 h LEU 132 Ca 0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 1rw5 h LEU 132 Cb 0.13 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1rw5 h LEU 132 CO -0.01 1.02 -0.04 0.40 -4.11 0.00 0.00 178.44 175.70 1rw5 h ILE 133 N 0.00 1.09 -0.62 0.15 2.04 -0.91 0.26 117.51 119.52 1rw5 h ILE 133 Ca -0.12 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 1rw5 h ILE 133 Cb 1.87 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 1rw5 h ILE 133 CO 0.11 0.16 0.13 1.62 0.00 0.00 0.00 178.15 180.17 1rw5 h VAL 134 N -0.40 1.25 0.00 1.67 3.04 -0.99 0.14 116.25 120.96 1rw5 h VAL 134 Ca -0.01 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1rw5 h VAL 134 Cb 0.34 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1rw5 h VAL 134 CO 0.02 0.35 0.00 -1.28 -1.01 0.00 0.00 177.57 175.65 1rw5 h SER 135 N 0.94 0.00 0.16 3.17 0.87 -1.01 -2.15 113.55 115.53 1rw5 h SER 135 Ca 0.20 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.41 1rw5 h SER 135 Cb 0.37 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.27 1rw5 h SER 135 CO 0.00 0.00 -2.16 0.00 -0.53 0.00 0.00 176.83 174.14 1rw5 n GLN 136 N -3.00 0.67 -0.06 2.24 6.02 0.90 -4.12 117.38 120.03 1rw5 n GLN 136 Ca 0.00 0.14 -0.03 0.00 -0.01 0.00 0.00 57.00 57.10 1rw5 n GLN 136 Cb 0.25 -1.62 0.21 0.00 1.02 0.00 0.00 30.24 30.10 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1rw5 h VAL 137 N 0.01 1.23 -2.90 5.09 2.07 -0.56 -3.44 116.25 117.74 1rw5 h VAL 137 Ca -0.46 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.02 1rw5 h VAL 137 Cb 2.10 0.94 -0.18 0.00 -1.52 0.00 0.00 31.29 32.63 1rw5 h VAL 137 CO 0.03 0.33 -0.14 -1.00 0.02 0.00 0.00 177.57 176.81 1rw5 s HIS 138 N -4.94 -0.28 0.06 1.57 3.76 -0.83 -5.07 115.29 109.56 1rw5 s HIS 138 Ca -0.08 0.36 -0.26 0.00 -0.15 0.00 0.00 55.06 54.92 1rw5 s HIS 138 Cb 0.15 0.19 -0.17 0.00 1.11 0.00 0.00 32.58 33.86 1rw5 s HIS 138 CO 0.79 -0.50 1.55 -1.00 -0.85 0.00 0.00 174.74 174.73 1rw5 h PRO 139 N 3.36 -0.31 -6.67 8.40 0.13 -1.83 -3.37 132.00 131.71 1rw5 h PRO 139 Ca -0.30 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 1rw5 h PRO 139 Cb 1.18 0.07 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 1rw5 h PRO 139 CO 0.42 -0.11 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.01 1rw5 s GLU 140 N -5.62 1.33 0.05 0.86 0.41 -1.26 -4.90 118.70 109.57 1rw5 s GLU 140 Ca -0.15 -1.31 -0.17 0.00 -0.41 0.00 0.00 54.97 52.93 1rw5 s GLU 140 Cb 0.04 -1.74 -0.06 0.00 -1.78 0.00 0.00 34.13 30.58 1rw5 s GLU 140 CO 0.63 0.41 0.51 0.99 -0.49 0.00 0.00 175.26 177.30 1rw5 s THR 141 N -1.14 4.86 0.26 3.63 2.01 -1.26 -4.96 115.64 119.03 1rw5 s THR 141 Ca 0.12 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.13 1rw5 s THR 141 Cb -0.10 -3.82 0.26 0.00 0.01 0.00 0.00 72.50 68.85 1rw5 s THR 141 CO 0.06 0.54 1.89 0.50 -0.69 0.00 0.00 174.62 176.92 1rw5 h LYS 142 N 4.51 1.18 -6.04 4.92 3.64 -2.00 -3.41 116.57 119.37 1rw5 h LYS 142 Ca -0.50 -0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.13 1rw5 h LYS 142 Cb 1.21 -0.27 -0.14 0.00 -0.41 0.00 0.00 32.23 32.63 1rw5 h LYS 142 CO 0.63 0.78 -0.62 -2.00 -2.27 0.00 0.00 179.45 175.96 1rw5 s GLU 143 N -6.07 2.92 0.90 1.90 2.12 -1.26 -5.10 118.70 114.11 1rw5 s GLU 143 Ca -0.13 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.59 1rw5 s GLU 143 Cb 0.19 -2.76 0.13 0.00 0.26 0.00 0.00 34.13 31.95 1rw5 s GLU 143 CO 0.81 0.67 1.11 -0.80 -0.54 0.00 0.00 175.26 176.51 1rw5 s ASN 144 N -1.24 3.57 -0.87 -1.70 0.02 -1.26 -4.85 114.94 108.61 1rw5 s ASN 144 Ca 0.17 1.15 -0.22 0.00 -1.02 0.00 0.00 52.86 52.94 1rw5 s ASN 144 Cb -0.11 -1.80 -0.14 0.00 0.02 0.00 0.00 41.25 39.22 1rw5 s ASN 144 CO 0.07 -2.54 1.93 -1.84 0.02 0.00 0.00 177.10 174.74 1rw5 n GLU 145 N -3.78 1.58 -4.18 -0.60 0.28 -1.26 -4.89 120.64 107.79 1rw5 n GLU 145 Ca 0.06 -2.00 -0.35 0.00 -0.16 0.00 0.00 57.16 54.71 1rw5 n GLU 145 Cb 0.58 -3.08 -0.08 0.00 1.43 0.00 0.00 31.44 30.28 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 6.02 4.74 0.24 3.84 1.01 -1.26 -4.97 121.20 130.83 1rw5 s ILE 146 Ca 0.59 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1rw5 s ILE 146 Cb 0.12 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1rw5 s ILE 146 CO 0.12 0.58 0.07 -0.72 0.00 0.00 0.00 174.94 174.98 1rw5 s TYR 147 N -0.97 1.50 1.27 3.97 -0.85 -1.26 -4.44 117.35 116.56 1rw5 s TYR 147 Ca 0.15 -1.11 -0.18 0.00 -0.52 0.00 0.00 57.07 55.40 1rw5 s TYR 147 Cb -0.12 -0.88 0.28 0.00 0.38 0.00 0.00 41.96 41.63 1rw5 s TYR 147 CO 0.04 -0.27 0.68 -2.30 -1.52 0.00 0.00 175.55 172.19 1rw5 n PRO 148 N -0.43 -3.34 -1.54 -3.49 -0.02 -1.26 -5.05 135.00 119.87 1rw5 n PRO 148 Ca -0.02 -0.98 -0.01 0.00 -2.02 0.00 0.00 63.50 60.48 1rw5 n PRO 148 Cb 0.65 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1rw5 n PRO 148 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1rw5 n VAL 149 N -5.17 0.00 -2.88 -1.45 0.24 -1.26 -5.00 118.33 102.80 1rw5 n VAL 149 Ca 0.07 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 1rw5 n VAL 149 Cb 0.54 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.34 1rw5 n VAL 149 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1rw5 s TRP 150 N -0.01 3.75 -0.15 6.34 -0.11 -1.26 -4.88 118.94 122.62 1rw5 s TRP 150 Ca 0.01 1.59 0.06 0.00 1.22 0.00 0.00 56.10 58.97 1rw5 s TRP 150 Cb -0.00 -2.92 0.18 0.00 -1.50 0.00 0.00 33.47 29.23 1rw5 s TRP 150 CO 0.01 0.23 0.95 -1.13 -4.62 0.00 0.00 176.95 172.38 1rw5 n SER 151 N 2.91 -0.70 -3.74 5.86 3.41 -1.26 -5.15 113.62 114.95 1rw5 n SER 151 Ca -0.00 -1.52 -0.15 0.00 -0.26 0.00 0.00 58.87 56.94 1rw5 n SER 151 Cb 0.50 0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 1rw5 n SER 151 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rw5 s GLY 152 N -0.56 1.70 -0.91 5.00 0.00 -1.26 -4.95 107.32 106.34 1rw5 s GLY 152 Ca 0.04 -1.74 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 1rw5 s GLY 152 CO -0.06 -1.31 0.75 1.04 0.00 0.00 0.00 173.10 173.53 1rw5 n LEU 153 N -0.45 -4.81 -4.42 0.66 4.77 -1.26 -4.72 117.00 106.77 1rw5 n LEU 153 Ca 0.04 -0.58 -0.50 0.00 -0.03 0.00 0.00 56.01 54.94 1rw5 n LEU 153 Cb 0.64 -2.80 -0.08 0.00 -2.33 0.00 0.00 43.42 38.84 1rw5 n LEU 153 CO 0.31 -0.24 1.85 -2.65 -1.33 0.00 0.00 177.39 175.33 1rw5 n PRO 154 N -2.80 0.78 -2.63 3.23 -0.02 -1.26 -3.47 135.00 128.84 1rw5 n PRO 154 Ca -0.09 0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1rw5 n PRO 154 Cb 0.58 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 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 9.97 -1.65 -0.01 2.55 7.64 -1.26 -4.69 113.62 126.17 1rw5 n SER 155 Ca 0.46 1.36 0.21 0.00 1.01 0.00 0.00 58.87 61.91 1rw5 n SER 155 Cb 0.19 -5.24 0.69 0.00 -1.01 0.00 0.00 64.21 58.84 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 3.98 0.01 -4.96 -3.43 -0.00 -1.92 -2.79 115.31 106.20 1rw5 h LEU 156 Ca -0.48 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 56.77 1rw5 h LEU 156 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1rw5 h LEU 156 CO 0.02 0.00 3.29 0.00 -0.00 0.00 0.00 178.44 181.76 1rw5 n GLN 157 N -4.37 3.62 -3.81 1.13 6.02 -1.26 -4.90 117.38 113.81 1rw5 n GLN 157 Ca 0.10 -2.21 -0.37 0.00 -0.01 0.00 0.00 57.00 54.52 1rw5 n GLN 157 Cb 0.63 -2.70 -0.07 0.00 1.02 0.00 0.00 30.24 29.12 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rw5 s MET 158 N 1.69 3.69 -0.01 -1.09 -1.94 -1.05 -4.97 119.30 115.61 1rw5 s MET 158 Ca 0.68 -0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.58 1rw5 s MET 158 Cb 0.20 -3.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.72 1rw5 s MET 158 CO -0.06 0.63 0.07 0.00 -0.01 0.00 0.00 175.02 175.65 1rw5 n ALA 159 N 2.44 2.08 -1.73 3.03 0.00 -1.26 -4.84 120.51 120.23 1rw5 n ALA 159 Ca -0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1rw5 n ALA 159 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1rw5 n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rw5 n ASP 160 N -1.77 3.29 -0.04 0.00 8.00 -1.26 -4.86 116.55 119.90 1rw5 n ASP 160 Ca -0.02 1.19 -0.12 0.00 0.71 0.00 0.00 54.79 56.55 1rw5 n ASP 160 Cb 0.24 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.74 1rw5 n ASP 160 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rw5 h GLU 161 N 3.39 0.23 -0.53 -1.24 5.08 -1.99 -0.92 114.58 118.60 1rw5 h GLU 161 Ca -0.47 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.70 1rw5 h GLU 161 Cb 1.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1rw5 h GLU 161 CO 0.68 0.46 -0.12 0.93 -1.00 0.00 0.00 179.01 179.97 1rw5 h GLU 162 N -0.04 1.01 -0.35 2.33 5.08 -1.98 -2.20 114.58 118.44 1rw5 h GLU 162 Ca 0.04 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1rw5 h GLU 162 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1rw5 h GLU 162 CO 0.01 1.07 0.04 0.77 -1.00 0.00 0.00 179.01 179.90 1rw5 h SER 163 N 0.88 0.56 -0.72 1.42 0.02 -1.93 -2.81 113.55 110.98 1rw5 h SER 163 Ca 0.13 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1rw5 h SER 163 Cb 0.69 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1rw5 h SER 163 CO 0.05 0.69 0.33 -0.09 -1.14 0.00 0.00 176.83 176.67 1rw5 h ARG 164 N 0.41 1.04 -0.98 3.45 9.65 -1.10 -2.24 114.38 124.61 1rw5 h ARG 164 Ca 0.10 -0.16 0.07 0.00 -1.10 0.00 0.00 59.98 58.89 1rw5 h ARG 164 Cb 0.38 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.70 1rw5 h ARG 164 CO 0.01 0.83 0.63 -0.07 2.80 0.00 0.00 179.97 184.17 1rw5 h LEU 165 N 1.01 0.99 -1.37 3.80 3.38 -1.27 0.43 115.31 122.28 1rw5 h LEU 165 Ca 0.24 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1rw5 h LEU 165 Cb 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1rw5 h LEU 165 CO -0.03 0.61 0.45 0.28 0.09 0.00 0.00 178.44 179.84 1rw5 h SER 166 N 1.12 0.72 -0.55 -0.43 0.02 -1.15 0.96 113.55 114.23 1rw5 h SER 166 Ca 0.44 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 1rw5 h SER 166 Cb 0.22 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1rw5 h SER 166 CO -0.19 0.50 0.23 0.00 -1.14 0.00 0.00 176.83 176.23 1rw5 h ALA 167 N 1.60 0.70 0.00 3.77 0.00 0.24 -2.20 119.26 123.36 1rw5 h ALA 167 Ca 0.26 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1rw5 h ALA 167 Cb 0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1rw5 h ALA 167 CO -0.07 -0.15 -2.01 0.66 0.00 0.00 0.00 179.25 177.67 1rw5 n TYR 168 N -4.95 0.00 -0.18 0.00 4.01 -0.90 -3.93 117.16 111.21 1rw5 n TYR 168 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1rw5 n TYR 168 Cb 0.20 -0.62 0.01 0.00 -0.31 0.00 0.00 39.34 38.62 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 0.80 -0.41 -0.72 3.20 0.96 0.74 116.97 121.54 1rw5 h TYR 169 Ca -0.21 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 1rw5 h TYR 169 Cb 1.41 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1rw5 h TYR 169 CO 0.00 0.66 0.05 -0.97 -1.64 0.00 0.00 178.16 176.26 1rw5 h ASN 170 N 0.70 0.67 0.10 -2.11 -1.24 -1.56 -1.88 115.58 110.26 1rw5 h ASN 170 Ca 0.17 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.91 1rw5 h ASN 170 Cb 0.20 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1rw5 h ASN 170 CO -0.01 0.77 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.77 1rw5 h LEU 171 N 0.54 -0.12 -0.89 0.34 3.38 -1.61 -2.74 115.31 114.22 1rw5 h LEU 171 Ca 0.12 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.26 1rw5 h LEU 171 Cb 0.39 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1rw5 h LEU 171 CO 0.01 0.24 0.47 -0.07 0.09 0.00 0.00 178.44 179.17 1rw5 h LEU 172 N -0.78 0.56 0.12 1.67 3.38 0.36 0.90 115.31 121.53 1rw5 h LEU 172 Ca -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 172 Cb 0.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rw5 h LEU 172 CO 0.02 0.21 -0.06 -0.74 0.09 0.00 0.00 178.44 177.97 1rw5 h HIS 173 N 0.63 -0.15 -0.19 1.13 2.76 -1.44 -2.21 115.15 115.68 1rw5 h HIS 173 Ca 0.50 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.63 1rw5 h HIS 173 Cb 0.74 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1rw5 h HIS 173 CO -0.08 0.17 -0.04 0.00 -1.30 0.00 0.00 177.93 176.67 1rw5 h LEU 175 N 0.27 1.08 0.62 0.00 6.46 0.11 0.40 115.31 124.25 1rw5 h LEU 175 Ca 0.06 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1rw5 h LEU 175 Cb 0.26 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1rw5 h LEU 175 CO 0.01 0.78 -0.30 -0.09 -0.62 0.00 0.00 178.44 178.22 1rw5 h ARG 176 N 1.28 -0.81 -0.84 1.25 2.43 -0.66 -0.29 114.38 116.74 1rw5 h ARG 176 Ca 0.36 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.69 1rw5 h ARG 176 Cb -0.11 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 1rw5 h ARG 176 CO -0.09 -0.54 0.48 -0.09 -1.51 0.00 0.00 179.97 178.22 1rw5 h ARG 177 N -1.04 0.75 -0.68 0.20 2.43 -1.41 -1.26 114.38 113.37 1rw5 h ARG 177 Ca -0.09 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1rw5 h ARG 177 Cb 0.64 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1rw5 h ARG 177 CO 0.14 0.49 0.12 -0.44 -1.51 0.00 0.00 179.97 178.78 1rw5 h ASP 178 N 0.77 1.07 0.11 -3.80 3.32 -0.91 -0.54 116.42 116.44 1rw5 h ASP 178 Ca 0.42 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1rw5 h ASP 178 Cb 0.44 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1rw5 h ASP 178 CO -0.27 1.05 -0.12 0.28 -1.72 0.00 0.00 179.24 178.46 1rw5 h SER 179 N 1.05 0.04 0.15 6.45 0.02 0.08 -1.18 113.55 120.17 1rw5 h SER 179 Ca 0.21 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.89 1rw5 h SER 179 Cb 0.43 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.98 1rw5 h SER 179 CO 0.01 0.17 -1.08 -0.74 -1.14 0.00 0.00 176.83 174.05 1rw5 h HIS 180 N 0.04 0.90 0.01 3.45 -0.00 -0.63 -2.53 115.15 116.39 1rw5 h HIS 180 Ca 0.01 -0.51 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 1rw5 h HIS 180 Cb 0.24 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1rw5 h HIS 180 CO 0.00 1.35 -0.01 0.87 -0.00 0.00 0.00 177.93 180.14 1rw5 h LYS 181 N 0.31 -0.01 -0.84 5.26 1.57 -0.19 0.86 116.57 123.53 1rw5 h LYS 181 Ca -0.13 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1rw5 h LYS 181 Cb 1.73 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.00 1rw5 h LYS 181 CO 0.20 -0.01 0.55 0.82 -0.57 0.00 0.00 179.45 180.45 1rw5 h ILE 182 N -0.01 1.15 -0.51 1.86 2.04 -1.31 -0.60 117.51 120.13 1rw5 h ILE 182 Ca 0.00 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1rw5 h ILE 182 Cb 0.01 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1rw5 h ILE 182 CO -0.00 0.19 -0.13 -0.78 0.00 0.00 0.00 178.15 177.43 1rw5 h ASP 183 N 1.06 0.98 -0.80 1.72 3.58 -0.83 -3.06 116.42 119.07 1rw5 h ASP 183 Ca 0.33 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1rw5 h ASP 183 Cb -0.00 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 1rw5 h ASP 183 CO -0.09 1.10 0.46 0.78 -2.88 0.00 0.00 179.24 178.61 1rw5 h ASN 184 N 0.86 0.98 -0.49 2.28 2.35 0.23 -2.72 115.58 119.07 1rw5 h ASN 184 Ca 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1rw5 h ASN 184 Cb 0.69 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1rw5 h ASN 184 CO 0.05 0.78 0.26 1.88 -1.65 0.00 0.00 177.43 178.75 1rw5 h TYR 185 N 1.10 0.67 -0.69 1.19 0.05 -1.26 -2.25 116.97 115.78 1rw5 h TYR 185 Ca 0.28 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1rw5 h TYR 185 Cb -0.00 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 1rw5 h TYR 185 CO -0.00 0.50 0.44 -0.07 -1.05 0.00 0.00 178.16 177.98 1rw5 h LEU 186 N 0.64 0.81 -0.90 3.88 3.38 -1.47 0.20 115.31 121.86 1rw5 h LEU 186 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rw5 h LEU 186 Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1rw5 h LEU 186 CO -0.03 0.61 0.56 0.11 0.09 0.00 0.00 178.44 179.78 1rw5 h LYS 187 N 0.95 1.20 -0.13 1.13 1.57 -1.11 0.23 116.57 120.40 1rw5 h LYS 187 Ca 0.25 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1rw5 h LYS 187 Cb -0.07 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 31.98 1rw5 h LYS 187 CO -0.05 0.83 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.34 1rw5 h LEU 188 N 1.22 0.45 -1.60 2.94 3.38 -0.75 -3.12 115.31 117.83 1rw5 h LEU 188 Ca 0.32 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1rw5 h LEU 188 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1rw5 h LEU 188 CO -0.06 0.91 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 1rw5 h LEU 189 N 0.00 0.23 -0.59 1.67 4.07 -0.24 -2.78 115.31 117.66 1rw5 h LEU 189 Ca 0.01 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.03 1rw5 h LEU 189 Cb 0.83 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.44 1rw5 h LEU 189 CO 0.06 0.28 0.23 0.50 -1.08 0.00 0.00 178.44 178.42 1rw5 h LYS 190 N 0.25 0.40 -0.36 1.13 3.64 -0.49 0.91 116.57 122.05 1rw5 h LYS 190 Ca 0.06 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1rw5 h LYS 190 Cb 0.17 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1rw5 h LYS 190 CO 0.00 0.27 0.16 0.00 -2.27 0.00 0.00 179.45 177.60 1rw5 n ARG 192 N -4.40 0.66 0.11 0.00 1.74 -0.55 -1.13 116.66 113.07 1rw5 n ARG 192 Ca 0.02 0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 1rw5 n ARG 192 Cb 0.13 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1rw5 h ILE 193 N 0.00 1.18 0.00 0.55 2.10 0.92 -3.36 117.51 118.90 1rw5 h ILE 193 Ca -0.29 -2.67 0.00 0.00 1.08 0.00 0.00 64.86 62.98 1rw5 h ILE 193 Cb 1.77 2.58 0.00 0.00 -1.09 0.00 0.00 36.82 40.08 1rw5 h ILE 193 CO 0.03 0.67 0.00 -0.38 -1.08 0.00 0.00 178.15 177.40 1rw5 n ILE 194 N -3.27 0.00 -3.13 2.19 5.41 -0.27 -4.86 119.36 115.43 1rw5 n ILE 194 Ca 0.01 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.26 1rw5 n ILE 194 Cb 0.81 1.10 0.05 0.00 -0.71 0.00 0.00 39.64 40.89 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 -0.46 -1.70 -4.62 1.39 8.25 -0.29 -5.01 115.22 112.79 1rw5 n HIS 195 Ca 0.00 0.59 -0.34 0.00 -0.26 0.00 0.00 57.72 57.72 1rw5 n HIS 195 Cb 0.03 -3.39 -0.12 0.00 1.12 0.00 0.00 29.99 27.62 1rw5 n HIS 195 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1rw5 s ASN 196 N -3.17 4.53 -0.59 0.41 2.47 -1.17 -5.01 114.94 112.42 1rw5 s ASN 196 Ca 0.34 -0.11 -0.28 0.00 0.42 0.00 0.00 52.86 53.23 1rw5 s ASN 196 Cb -0.15 -1.37 0.03 0.00 -1.45 0.00 0.00 41.25 38.31 1rw5 s ASN 196 CO 0.42 0.28 1.23 0.21 -3.72 0.00 0.00 177.10 175.53 1rw5 s ASN 197 N -0.33 6.38 -0.27 -4.21 3.84 -1.26 -3.95 114.94 115.15 1rw5 s ASN 197 Ca 0.04 0.10 0.07 0.00 0.21 0.00 0.00 52.86 53.29 1rw5 s ASN 197 Cb -0.13 -2.55 0.25 0.00 -0.55 0.00 0.00 41.25 38.27 1rw5 s ASN 197 CO 0.02 -1.54 1.18 -3.20 -2.79 0.00 0.00 177.10 170.77 1rw5 n ASN 198 N 8.67 -1.15 0.00 -4.21 5.15 -1.26 -5.09 115.26 117.37 1rw5 n ASN 198 Ca 0.09 -1.88 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 1rw5 n ASN 198 Cb 0.49 0.64 0.00 0.00 -0.53 0.00 0.00 39.78 40.38 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66