#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 4.12 0.22 1.96 0.04 -1.26 -4.92 135.00 135.16 1rw5 s PRO 2 Ca 0.00 2.27 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 1rw5 s PRO 2 Cb 0.00 -2.91 0.21 0.00 0.04 0.00 0.00 34.50 31.84 1rw5 s PRO 2 CO 0.00 -0.41 1.87 0.82 0.04 0.00 0.00 177.00 179.33 1rw5 h ILE 3 N 2.76 1.15 -2.81 0.56 2.04 -2.07 -3.33 117.51 115.80 1rw5 h ILE 3 Ca -0.50 -0.35 -0.61 0.00 1.00 0.00 0.00 64.86 64.41 1rw5 h ILE 3 Cb 1.24 0.05 -0.40 0.00 -0.74 0.00 0.00 36.82 36.97 1rw5 h ILE 3 CO 0.64 0.18 -0.77 0.00 0.00 0.00 0.00 178.15 178.20 1rw5 n PRO 5 N 2.96 1.05 -1.76 0.00 -0.02 -1.25 -4.89 135.00 131.09 1rw5 n PRO 5 Ca 0.18 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1rw5 n PRO 5 Cb 0.39 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.36 1.01 2.04 -1.23 0.00 -1.26 -2.54 105.19 104.58 1rw5 n GLY 6 Ca 0.11 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 0.58 0.27 3.64 -0.02 0.00 -1.26 -4.99 105.19 103.41 1rw5 n GLY 7 Ca 0.05 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.19 3.54 0.38 4.61 0.00 -1.05 -4.89 121.76 122.15 1rw5 s ALA 8 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.92 1rw5 s ALA 8 Cb -0.00 -3.55 0.74 0.00 0.00 0.00 0.00 23.12 20.31 1rw5 s ALA 8 CO 0.00 -1.33 1.95 0.00 0.00 0.00 0.00 175.76 176.38 1rw5 h ALA 9 N 7.98 1.52 -2.13 0.00 0.00 -1.94 -3.22 119.26 121.47 1rw5 h ALA 9 Ca -0.21 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.97 1rw5 h ALA 9 Cb 1.07 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.32 1rw5 h ALA 9 CO 0.98 0.36 -0.79 2.89 0.00 0.00 0.00 179.25 182.69 1rw5 n ARG 10 N -4.34 1.97 0.02 0.00 0.00 -1.26 -4.91 116.66 108.15 1rw5 n ARG 10 Ca 0.01 -4.18 0.14 0.00 -0.00 0.00 0.00 57.85 53.83 1rw5 n ARG 10 Cb 0.19 -1.91 0.60 0.00 -0.00 0.00 0.00 32.46 31.35 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rw5 s GLN 12 N -5.17 1.75 0.13 0.00 -0.21 -1.26 -4.89 119.66 110.00 1rw5 s GLN 12 Ca -0.06 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.21 1rw5 s GLN 12 Cb 0.19 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1rw5 s GLN 12 CO 0.72 0.49 -0.15 0.14 -2.12 0.00 0.00 175.29 174.38 1rw5 s VAL 13 N -1.03 1.40 0.14 1.09 -7.23 -1.26 -5.11 120.40 108.39 1rw5 s VAL 13 Ca 0.15 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1rw5 s VAL 13 Cb -0.10 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.20 1rw5 s VAL 13 CO 0.07 -0.39 1.17 -0.89 -0.31 0.00 0.00 175.10 174.75 1rw5 s THR 14 N -2.08 3.82 0.23 5.32 2.01 -1.26 -4.90 115.64 118.77 1rw5 s THR 14 Ca 0.09 1.46 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 1rw5 s THR 14 Cb -0.05 -3.93 0.18 0.00 0.01 0.00 0.00 72.50 68.70 1rw5 s THR 14 CO 0.03 0.20 1.81 0.25 -0.69 0.00 0.00 174.62 176.22 1rw5 h LEU 15 N 5.73 0.61 -0.15 4.42 5.85 -1.99 0.58 115.31 130.36 1rw5 h LEU 15 Ca -0.43 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1rw5 h LEU 15 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1rw5 h LEU 15 CO 0.76 0.38 0.06 -0.09 -0.34 0.00 0.00 178.44 179.20 1rw5 h ARG 16 N 0.74 0.23 0.14 1.25 2.43 -1.91 0.50 114.38 117.76 1rw5 h ARG 16 Ca 0.35 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1rw5 h ARG 16 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rw5 h ARG 16 CO -0.21 0.32 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.06 1rw5 h ASP 17 N 0.08 -0.16 -0.56 -3.80 3.32 -1.79 0.50 116.42 114.02 1rw5 h ASP 17 Ca 0.05 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1rw5 h ASP 17 Cb 0.18 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1rw5 h ASP 17 CO -0.00 0.03 0.21 0.25 -1.72 0.00 0.00 179.24 178.01 1rw5 h LEU 18 N -0.34 0.78 -0.40 1.55 7.12 -0.91 -1.64 115.31 121.48 1rw5 h LEU 18 Ca -0.02 -0.18 -0.09 0.00 0.13 0.00 0.00 57.88 57.72 1rw5 h LEU 18 Cb 0.27 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1rw5 h LEU 18 CO 0.03 0.75 -0.10 0.15 -0.13 0.00 0.00 178.44 179.14 1rw5 h PHE 19 N 0.77 0.87 -0.88 1.25 3.57 -0.81 -1.81 116.94 119.90 1rw5 h PHE 19 Ca 0.18 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1rw5 h PHE 19 Cb 0.22 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1rw5 h PHE 19 CO 0.01 0.90 0.57 0.22 -2.23 0.00 0.00 178.31 177.79 1rw5 h ASP 20 N 0.58 0.90 -0.31 0.41 3.58 0.26 0.98 116.42 122.82 1rw5 h ASP 20 Ca 0.10 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 1rw5 h ASP 20 Cb 0.63 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1rw5 h ASP 20 CO 0.04 0.60 -0.15 -0.09 -2.88 0.00 0.00 179.24 176.76 1rw5 h ARG 21 N 1.04 0.65 -0.03 0.28 2.43 -1.07 -2.77 114.38 114.90 1rw5 h ARG 21 Ca 0.36 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1rw5 h ARG 21 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1rw5 h ARG 21 CO -0.12 0.87 -0.17 0.00 -1.51 0.00 0.00 179.97 179.04 1rw5 h ALA 22 N 0.76 1.66 -0.36 2.80 0.00 -0.42 0.34 119.26 124.04 1rw5 h ALA 22 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1rw5 h ALA 22 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rw5 h ALA 22 CO 0.05 0.25 -0.13 0.28 0.00 0.00 0.00 179.25 179.70 1rw5 h VAL 23 N 0.05 1.28 0.02 0.00 2.07 -0.58 -2.59 116.25 116.50 1rw5 h VAL 23 Ca 0.01 -1.22 -0.23 0.00 0.82 0.00 0.00 66.70 66.08 1rw5 h VAL 23 Cb 0.33 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1rw5 h VAL 23 CO 0.02 0.40 -1.13 -0.37 0.02 0.00 0.00 177.57 176.52 1rw5 h VAL 24 N 0.51 1.58 -0.55 2.57 -1.51 -1.21 -3.27 116.25 114.36 1rw5 h VAL 24 Ca 0.09 -3.28 -0.01 0.00 -1.23 0.00 0.00 66.70 62.27 1rw5 h VAL 24 Cb 0.65 2.81 -0.03 0.00 -2.13 0.00 0.00 31.29 32.60 1rw5 h VAL 24 CO 0.04 0.91 0.31 0.25 -1.23 0.00 0.00 177.57 177.86 1rw5 h LEU 25 N 0.01 0.66 -1.48 4.19 5.85 -0.28 -1.75 115.31 122.52 1rw5 h LEU 25 Ca -0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1rw5 h LEU 25 Cb 1.83 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 1rw5 h LEU 25 CO 0.14 0.53 0.18 0.28 -0.34 0.00 0.00 178.44 179.22 1rw5 h SER 26 N 0.76 0.47 0.24 1.25 0.02 -1.51 -2.14 113.55 112.64 1rw5 h SER 26 Ca 0.20 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1rw5 h SER 26 Cb -0.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1rw5 h SER 26 CO -0.03 0.41 -0.66 -0.74 -1.14 0.00 0.00 176.83 174.66 1rw5 h HIS 27 N 0.53 0.52 -0.44 3.45 -0.00 -1.45 -3.01 115.15 114.75 1rw5 h HIS 27 Ca 0.14 -0.21 0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1rw5 h HIS 27 Cb 0.06 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 1rw5 h HIS 27 CO 0.00 0.94 0.20 -0.92 -0.00 0.00 0.00 177.93 178.15 1rw5 h TYR 28 N 0.28 0.36 -0.14 5.26 5.03 -1.16 0.28 116.97 126.88 1rw5 h TYR 28 Ca -0.02 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1rw5 h TYR 28 Cb 1.22 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.39 1rw5 h TYR 28 CO 0.04 0.17 -0.01 0.82 -1.32 0.00 0.00 178.16 177.86 1rw5 h ILE 29 N 0.40 1.10 -0.37 1.81 2.04 -1.50 -1.07 117.51 119.92 1rw5 h ILE 29 Ca 0.20 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1rw5 h ILE 29 Cb 0.14 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1rw5 h ILE 29 CO -0.16 0.13 0.21 -0.74 0.00 0.00 0.00 178.15 177.58 1rw5 h HIS 30 N 0.20 0.50 -0.44 1.37 2.76 -0.83 0.19 115.15 118.89 1rw5 h HIS 30 Ca 0.05 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1rw5 h HIS 30 Cb 0.15 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1rw5 h HIS 30 CO 0.00 0.38 0.15 -0.97 -1.30 0.00 0.00 177.93 176.19 1rw5 h ASN 31 N 0.47 0.63 0.29 3.26 -0.73 -0.55 0.84 115.58 119.80 1rw5 h ASN 31 Ca 0.13 -0.19 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 1rw5 h ASN 31 Cb 0.04 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 1rw5 h ASN 31 CO -0.02 0.66 -0.24 -0.07 -0.37 0.00 0.00 177.43 177.39 1rw5 h LEU 32 N 0.58 -0.62 -1.23 0.34 3.38 -0.75 0.44 115.31 117.44 1rw5 h LEU 32 Ca 0.14 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1rw5 h LEU 32 Cb 0.24 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rw5 h LEU 32 CO -0.01 -0.36 -0.21 0.77 0.09 0.00 0.00 178.44 178.73 1rw5 h SER 33 N -0.54 0.26 0.37 -0.43 4.64 -0.50 0.21 113.55 117.56 1rw5 h SER 33 Ca -0.02 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1rw5 h SER 33 Cb 0.48 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1rw5 h SER 33 CO -0.02 0.48 -0.18 -1.28 -0.87 0.00 0.00 176.83 174.96 1rw5 h SER 34 N 0.25 -0.42 -0.54 4.97 0.87 0.14 -2.41 113.55 116.40 1rw5 h SER 34 Ca 0.04 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1rw5 h SER 34 Cb 0.51 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1rw5 h SER 34 CO 0.03 0.00 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.96 1rw5 h GLU 35 N -0.95 0.98 -0.71 2.24 4.39 -0.11 -1.56 114.58 118.85 1rw5 h GLU 35 Ca -0.05 -0.33 0.09 0.00 0.34 0.00 0.00 59.36 59.41 1rw5 h GLU 35 Cb 0.53 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1rw5 h GLU 35 CO 0.08 1.01 0.36 0.52 -1.16 0.00 0.00 179.01 179.82 1rw5 h MET 36 N 0.86 0.60 -0.14 2.33 2.86 -0.65 0.89 114.93 121.69 1rw5 h MET 36 Ca 0.15 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1rw5 h MET 36 Cb 0.59 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1rw5 h MET 36 CO 0.04 0.40 -0.30 0.35 1.06 0.00 0.00 176.91 178.45 1rw5 h PHE 37 N 0.62 0.57 -0.36 -0.22 3.57 -1.25 -2.76 116.94 117.12 1rw5 h PHE 37 Ca 0.35 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1rw5 h PHE 37 Cb 0.35 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1rw5 h PHE 37 CO -0.10 0.92 0.18 1.03 -2.23 0.00 0.00 178.31 178.11 1rw5 h SER 38 N 0.05 0.27 -0.85 0.41 0.87 -0.67 0.87 113.55 114.49 1rw5 h SER 38 Ca 0.00 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1rw5 h SER 38 Cb 0.90 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 1rw5 h SER 38 CO 0.07 0.20 0.55 -0.33 -0.53 0.00 0.00 176.83 176.79 1rw5 h GLU 39 N 0.37 1.06 -0.07 2.24 4.39 -0.88 -1.47 114.58 120.22 1rw5 h GLU 39 Ca 0.15 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1rw5 h GLU 39 Cb 0.06 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1rw5 h GLU 39 CO -0.10 0.70 -0.06 0.35 -1.16 0.00 0.00 179.01 178.74 1rw5 h PHE 40 N 1.10 0.20 -0.99 4.33 3.57 -1.04 -2.79 116.94 121.31 1rw5 h PHE 40 Ca 0.33 -0.06 0.21 0.00 3.53 0.00 0.00 57.97 61.99 1rw5 h PHE 40 Cb -0.04 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.56 1rw5 h PHE 40 CO -0.02 0.60 0.62 0.22 -2.23 0.00 0.00 178.31 177.50 1rw5 h ASP 41 N -0.26 0.62 -0.12 0.41 3.58 0.12 0.14 116.42 120.92 1rw5 h ASP 41 Ca 0.01 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1rw5 h ASP 41 Cb 0.56 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1rw5 h ASP 41 CO 0.02 0.20 0.00 0.29 -2.88 0.00 0.00 179.24 176.87 1rw5 n LYS 42 N -4.68 1.86 -0.05 0.28 4.76 -0.60 -1.78 118.16 117.95 1rw5 n LYS 42 Ca 0.23 -1.27 -0.10 0.00 -2.87 0.00 0.00 58.31 54.30 1rw5 n LYS 42 Cb 0.67 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rw5 n ARG 43 N 0.51 0.33 -0.06 1.97 1.74 0.42 -4.37 116.66 117.21 1rw5 n ARG 43 Ca 0.17 0.13 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 1rw5 n ARG 43 Cb 0.40 -1.06 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 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 -3.95 0.50 -1.22 -1.55 4.02 -0.72 -4.30 117.16 109.94 1rw5 n TYR 44 Ca -0.17 0.18 0.01 0.00 -0.01 0.00 0.00 57.90 57.91 1rw5 n TYR 44 Cb 0.46 -1.08 0.23 0.00 -0.02 0.00 0.00 39.34 38.92 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 -2.88 2.46 -1.64 -0.72 -2.24 -1.21 -4.80 114.28 103.25 1rw5 n THR 45 Ca -0.24 -2.28 -0.15 0.00 -2.27 0.00 0.00 64.05 59.11 1rw5 n THR 45 Cb 1.09 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 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 -3.05 1.24 -0.97 4.78 5.04 -0.73 -2.30 115.29 119.29 1rw5 s HIS 46 Ca 0.44 1.81 -0.04 0.00 -1.54 0.00 0.00 55.06 55.74 1rw5 s HIS 46 Cb 0.38 -3.52 0.00 0.00 0.04 0.00 0.00 32.58 29.49 1rw5 s HIS 46 CO 0.05 -1.55 0.48 0.41 -2.34 0.00 0.00 174.74 171.79 1rw5 n GLY 47 N 6.79 -0.07 0.37 1.59 0.00 -1.26 -4.88 105.19 107.73 1rw5 n GLY 47 Ca 0.46 -0.17 0.10 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 -1.09 0.71 0.00 1.61 9.65 -1.77 -3.46 114.38 120.03 1rw5 h ARG 48 Ca -0.35 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1rw5 h ARG 48 Cb 1.24 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1rw5 h ARG 48 CO 0.36 0.47 0.00 0.41 2.80 0.00 0.00 179.97 184.01 1rw5 n GLY 49 N -1.44 0.86 0.35 2.80 0.00 -1.26 -4.91 105.19 101.58 1rw5 n GLY 49 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.07 0.00 -4.63 1.61 -1.74 -1.26 -5.10 117.46 104.27 1rw5 n PHE 50 Ca 0.00 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 1rw5 n PHE 50 Cb 0.00 0.05 -0.11 0.00 1.52 0.00 0.00 39.48 40.94 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 0.00 3.48 -0.05 1.97 -4.36 -1.26 -5.11 121.20 115.87 1rw5 s ILE 51 Ca 0.00 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1rw5 s ILE 51 Cb 0.00 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 1rw5 s ILE 51 CO 0.00 0.51 -0.17 -0.89 0.24 0.00 0.00 174.94 174.63 1rw5 s THR 52 N -0.86 1.47 0.31 8.37 2.01 -1.26 -5.02 115.64 120.65 1rw5 s THR 52 Ca 0.14 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1rw5 s THR 52 Cb -0.11 -1.27 0.17 0.00 0.01 0.00 0.00 72.50 71.30 1rw5 s THR 52 CO 0.04 0.42 1.87 0.11 -0.69 0.00 0.00 174.62 176.37 1rw5 h LYS 53 N 6.38 0.71 -5.32 4.92 1.57 -2.01 -3.37 116.57 119.45 1rw5 h LYS 53 Ca -0.31 -0.13 -0.64 0.00 -1.87 0.00 0.00 60.65 57.69 1rw5 h LYS 53 Cb 1.18 -0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.22 1rw5 h LYS 53 CO 0.48 0.65 0.57 0.00 -0.57 0.00 0.00 179.45 180.57 1rw5 s ALA 54 N -5.18 3.18 0.02 3.86 0.00 -1.26 -5.00 121.76 117.37 1rw5 s ALA 54 Ca -0.09 -2.04 0.07 0.00 0.00 0.00 0.00 51.96 49.90 1rw5 s ALA 54 Cb 0.16 -3.87 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1rw5 s ALA 54 CO 0.78 -2.79 -0.21 0.42 0.00 0.00 0.00 175.76 173.97 1rw5 s ILE 55 N 3.73 1.67 -0.50 0.00 1.01 -1.26 -5.02 121.20 120.83 1rw5 s ILE 55 Ca 0.23 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1rw5 s ILE 55 Cb -0.15 -1.42 0.54 0.00 0.01 0.00 0.00 42.46 41.44 1rw5 s ILE 55 CO 0.06 0.32 1.93 0.59 0.00 0.00 0.00 174.94 177.84 1rw5 n ASN 56 N 2.15 5.29 -0.27 3.58 3.02 -1.26 -4.50 115.26 123.28 1rw5 n ASN 56 Ca -0.16 -3.58 0.04 0.00 -0.03 0.00 0.00 54.58 50.84 1rw5 n ASN 56 Cb 0.53 -0.89 0.15 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.92 0.78 -4.72 6.41 7.64 -1.26 -4.85 113.62 116.69 1rw5 n SER 57 Ca 0.57 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 58.13 1rw5 n SER 57 Cb 1.21 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 64.28 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 n HIS 59 N 3.51 0.12 0.28 0.00 8.25 -1.26 -4.20 115.22 121.92 1rw5 n HIS 59 Ca 0.02 0.04 0.17 0.00 -0.26 0.00 0.00 57.72 57.68 1rw5 n HIS 59 Cb 0.51 -0.66 0.78 0.00 1.12 0.00 0.00 29.99 31.73 1rw5 n HIS 59 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1rw5 h THR 60 N 0.00 0.16 -0.58 1.59 1.35 -1.97 -2.59 112.91 110.87 1rw5 h THR 60 Ca -0.12 -0.49 0.10 0.00 -0.55 0.00 0.00 66.41 65.36 1rw5 h THR 60 Cb 1.28 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1rw5 h THR 60 CO 0.01 0.05 0.39 0.28 -0.25 0.00 0.00 175.52 176.00 1rw5 h SER 61 N 0.00 0.32 0.59 5.36 0.02 -2.00 0.29 113.55 118.14 1rw5 h SER 61 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1rw5 h SER 61 Cb 0.41 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1rw5 h SER 61 CO 0.01 0.19 0.00 0.77 -1.14 0.00 0.00 176.83 176.66 1rw5 h SER 62 N 0.36 0.00 -3.18 3.07 4.64 -1.74 -3.42 113.55 113.28 1rw5 h SER 62 Ca 0.27 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.16 1rw5 h SER 62 Cb 0.59 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.89 1rw5 h SER 62 CO -0.07 0.00 -0.01 -0.76 -0.87 0.00 0.00 176.83 175.12 1rw5 s LEU 63 N -4.69 0.66 -0.94 5.97 1.02 0.10 -4.74 118.68 116.05 1rw5 s LEU 63 Ca 0.02 1.50 -0.14 0.00 0.02 0.00 0.00 54.13 55.54 1rw5 s LEU 63 Cb 0.09 -3.36 -0.09 0.00 0.02 0.00 0.00 46.19 42.85 1rw5 s LEU 63 CO 0.37 -4.36 2.09 0.00 0.02 0.00 0.00 176.35 174.47 1rw5 n ALA 64 N -5.02 4.34 -2.83 4.21 0.00 -1.26 -4.88 120.51 115.07 1rw5 n ALA 64 Ca 0.02 -2.83 -0.27 0.00 0.00 0.00 0.00 53.44 50.37 1rw5 n ALA 64 Cb 0.54 -3.35 -0.05 0.00 0.00 0.00 0.00 19.45 16.59 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 4.01 4.69 -0.10 0.00 -4.23 -1.26 -4.64 115.64 114.11 1rw5 s THR 65 Ca 0.50 -0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 59.75 1rw5 s THR 65 Cb 0.13 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 1rw5 s THR 65 CO 0.03 -0.08 1.87 -2.16 -0.54 0.00 0.00 174.62 173.73 1rw5 s PRO 66 N -3.07 3.85 0.17 3.99 0.04 -1.26 -4.89 135.00 133.83 1rw5 s PRO 66 Ca 0.32 2.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.43 1rw5 s PRO 66 Cb -0.10 -4.14 0.03 0.00 0.04 0.00 0.00 34.50 30.32 1rw5 s PRO 66 CO 0.24 -1.26 1.57 0.93 0.04 0.00 0.00 177.00 178.53 1rw5 h GLU 67 N 11.35 1.01 -4.62 4.56 4.39 -1.96 -3.46 114.58 125.85 1rw5 h GLU 67 Ca -0.42 -0.41 -0.25 0.00 0.34 0.00 0.00 59.36 58.62 1rw5 h GLU 67 Cb 1.21 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.66 1rw5 h GLU 67 CO 0.96 1.09 -0.62 -0.51 -1.16 0.00 0.00 179.01 178.77 1rw5 s ASP 68 N -6.70 0.31 0.41 1.42 1.01 -1.26 -5.03 116.67 106.83 1rw5 s ASP 68 Ca -0.11 -1.38 0.09 0.00 0.71 0.00 0.00 52.55 51.86 1rw5 s ASP 68 Cb 0.13 0.34 0.86 0.00 1.01 0.00 0.00 42.92 45.26 1rw5 s ASP 68 CO 0.87 -0.82 1.99 0.07 0.21 0.00 0.00 175.17 177.49 1rw5 h LYS 69 N 2.60 0.31 -0.40 8.23 2.10 -2.00 -1.94 116.57 125.48 1rw5 h LYS 69 Ca -0.36 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.18 1rw5 h LYS 69 Cb 1.25 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1rw5 h LYS 69 CO 0.54 0.33 0.02 1.49 -2.00 0.00 0.00 179.45 179.83 1rw5 h GLU 70 N 0.31 0.69 -0.16 0.07 4.81 -1.99 -2.55 114.58 115.76 1rw5 h GLU 70 Ca 0.07 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1rw5 h GLU 70 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1rw5 h GLU 70 CO 0.00 0.77 -0.14 0.37 -0.73 0.00 0.00 179.01 179.28 1rw5 h GLN 71 N 0.52 0.26 -0.47 1.92 4.15 -1.84 -2.68 115.11 116.97 1rw5 h GLN 71 Ca 0.11 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.55 1rw5 h GLN 71 Cb 0.45 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 1rw5 h GLN 71 CO 0.02 0.41 0.10 0.00 -1.93 0.00 0.00 178.83 177.42 1rw5 h ALA 72 N 1.62 0.52 -0.81 3.38 0.00 -0.93 0.81 119.26 123.84 1rw5 h ALA 72 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rw5 h ALA 72 Cb 0.40 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1rw5 h ALA 72 CO 0.02 -0.31 0.47 1.96 0.00 0.00 0.00 179.25 181.40 1rw5 h GLN 73 N 0.23 1.11 -0.09 0.00 4.20 -1.42 -0.16 115.11 118.99 1rw5 h GLN 73 Ca 0.23 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1rw5 h GLN 73 Cb 0.30 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1rw5 h GLN 73 CO -0.30 0.79 -0.24 1.96 -0.67 0.00 0.00 178.83 180.37 1rw5 h GLN 74 N 1.13 0.15 -6.94 1.46 1.08 -0.42 -3.43 115.11 108.14 1rw5 h GLN 74 Ca 0.29 -0.05 -0.53 0.00 -1.45 0.00 0.00 58.65 56.92 1rw5 h GLN 74 Cb -0.02 -0.02 0.08 0.00 -0.05 0.00 0.00 27.48 27.48 1rw5 h GLN 74 CO -0.05 0.39 0.62 -1.64 -0.95 0.00 0.00 178.83 177.20 1rw5 s MET 75 N -4.49 4.00 0.47 1.46 -1.94 0.25 -5.01 119.30 114.04 1rw5 s MET 75 Ca -0.04 2.16 -0.01 0.00 -1.71 0.00 0.00 55.69 56.08 1rw5 s MET 75 Cb 0.15 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 1rw5 s MET 75 CO 0.73 -0.47 0.72 -0.80 -0.01 0.00 0.00 175.02 175.19 1rw5 s ASN 76 N -0.72 5.85 0.28 3.03 0.01 -1.26 -4.94 114.94 117.20 1rw5 s ASN 76 Ca 0.56 0.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1rw5 s ASN 76 Cb -0.38 -1.67 0.51 0.00 0.41 0.00 0.00 41.25 40.13 1rw5 s ASN 76 CO 0.49 -0.74 1.87 1.56 -1.51 0.00 0.00 177.10 178.77 1rw5 h GLN 77 N 0.29 1.02 -0.75 -0.60 4.20 -1.95 -1.02 115.11 116.30 1rw5 h GLN 77 Ca -0.46 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1rw5 h GLN 77 Cb 1.25 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1rw5 h GLN 77 CO 0.59 0.67 0.47 -0.22 -0.67 0.00 0.00 178.83 179.67 1rw5 h LYS 78 N 1.05 1.01 -0.91 1.46 3.64 -1.93 -1.81 116.57 119.07 1rw5 h LYS 78 Ca 0.45 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1rw5 h LYS 78 Cb 0.34 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1rw5 h LYS 78 CO -0.21 0.70 0.53 -0.44 -2.27 0.00 0.00 179.45 177.76 1rw5 h ASP 79 N 1.02 1.11 -0.15 4.20 3.32 -1.57 0.20 116.42 124.55 1rw5 h ASP 79 Ca 0.27 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1rw5 h ASP 79 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1rw5 h ASP 79 CO -0.05 0.87 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.07 1rw5 h PHE 80 N 1.27 0.30 -0.47 4.55 -1.00 -0.92 -0.43 116.94 120.24 1rw5 h PHE 80 Ca 0.33 -0.05 -0.12 0.00 2.81 0.00 0.00 57.97 60.93 1rw5 h PHE 80 Cb -0.03 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 1rw5 h PHE 80 CO 0.01 0.51 -0.17 -0.07 -1.61 0.00 0.00 178.31 176.97 1rw5 h LEU 81 N 0.01 0.92 -1.48 1.54 -0.00 -1.12 -2.35 115.31 112.83 1rw5 h LEU 81 Ca 0.04 -0.32 -0.06 0.00 -0.00 0.00 0.00 57.88 57.54 1rw5 h LEU 81 Cb 0.39 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1rw5 h LEU 81 CO 0.01 1.08 -0.27 0.77 -0.00 0.00 0.00 178.44 180.03 1rw5 h SER 82 N 0.80 0.00 0.22 -0.43 4.64 -0.51 -2.54 113.55 115.72 1rw5 h SER 82 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.24 1rw5 h SER 82 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1rw5 h SER 82 CO 0.06 0.27 -0.77 0.17 -0.87 0.00 0.00 176.83 175.69 1rw5 h LEU 83 N 0.00 0.55 -0.30 5.97 8.10 -0.60 -3.04 115.31 126.00 1rw5 h LEU 83 Ca -0.00 -0.37 -0.02 0.00 0.11 0.00 0.00 57.88 57.60 1rw5 h LEU 83 Cb 0.49 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1rw5 h LEU 83 CO 0.03 1.13 0.10 0.40 -4.11 0.00 0.00 178.44 175.99 1rw5 h ILE 84 N 0.30 1.19 -0.80 0.15 2.04 -1.02 -2.53 117.51 116.85 1rw5 h ILE 84 Ca -0.04 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.26 1rw5 h ILE 84 Cb 1.36 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1rw5 h ILE 84 CO 0.14 0.21 0.50 0.58 0.00 0.00 0.00 178.15 179.57 1rw5 h VAL 85 N 0.32 1.07 -0.59 1.67 2.07 -1.52 -1.92 116.25 117.35 1rw5 h VAL 85 Ca 0.10 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1rw5 h VAL 85 Cb 0.22 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1rw5 h VAL 85 CO -0.01 0.17 0.15 0.77 0.02 0.00 0.00 177.57 178.68 1rw5 h SER 86 N 0.93 0.89 0.45 0.57 4.64 -1.39 -1.81 113.55 117.84 1rw5 h SER 86 Ca 0.33 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1rw5 h SER 86 Cb 0.09 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1rw5 h SER 86 CO -0.14 0.89 -0.21 0.40 -0.87 0.00 0.00 176.83 176.89 1rw5 h ILE 87 N 0.86 0.51 -0.75 0.95 2.04 -1.01 -0.03 117.51 120.07 1rw5 h ILE 87 Ca 0.19 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1rw5 h ILE 87 Cb 0.34 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1rw5 h ILE 87 CO 0.00 0.06 0.44 -0.07 0.00 0.00 0.00 178.15 178.59 1rw5 h LEU 88 N -0.84 0.68 -0.79 1.44 3.38 -1.37 -1.48 115.31 116.33 1rw5 h LEU 88 Ca -0.06 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1rw5 h LEU 88 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rw5 h LEU 88 CO 0.10 0.44 -0.35 0.03 0.09 0.00 0.00 178.44 178.75 1rw5 h ARG 89 N 0.82 0.50 -0.52 1.13 3.08 -1.31 -2.05 114.38 116.02 1rw5 h ARG 89 Ca 0.33 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1rw5 h ARG 89 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1rw5 h ARG 89 CO -0.17 0.79 0.35 1.03 -1.07 0.00 0.00 179.97 180.89 1rw5 h SER 90 N 0.43 0.58 0.61 7.04 0.87 0.04 -2.11 113.55 121.00 1rw5 h SER 90 Ca 0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1rw5 h SER 90 Cb 0.82 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1rw5 h SER 90 CO 0.07 0.42 -0.71 0.79 -0.53 0.00 0.00 176.83 176.87 1rw5 n TRP 91 N -4.46 0.29 -0.36 2.24 7.02 -0.88 -4.09 117.44 117.20 1rw5 n TRP 91 Ca 0.05 0.08 -0.00 0.00 -1.02 0.00 0.00 57.50 56.61 1rw5 n TRP 91 Cb 0.07 -0.45 0.14 0.00 -2.42 0.00 0.00 31.31 28.64 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 1.04 0.22 -0.99 -1.24 -0.65 -1.76 115.58 112.19 1rw5 h ASN 92 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1rw5 h ASN 92 Cb 0.66 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1rw5 h ASN 92 CO 0.00 0.70 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.66 1rw5 h GLU 93 N 1.20 -0.29 -1.03 6.67 4.57 -1.71 -3.20 114.58 120.80 1rw5 h GLU 93 Ca 0.39 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.85 1rw5 h GLU 93 Cb 0.02 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.56 1rw5 h GLU 93 CO -0.13 -0.05 0.62 -1.35 -1.18 0.00 0.00 179.01 176.93 1rw5 h PRO 94 N -1.03 0.47 -0.20 0.92 0.11 -1.70 0.43 132.00 131.00 1rw5 h PRO 94 Ca -0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1rw5 h PRO 94 Cb 0.37 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1rw5 h PRO 94 CO 0.05 0.31 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.94 1rw5 h LEU 95 N 0.49 0.32 -0.55 2.35 3.38 -1.41 -2.06 115.31 117.83 1rw5 h LEU 95 Ca 0.65 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.63 1rw5 h LEU 95 Cb 1.40 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 1rw5 h LEU 95 CO -0.44 0.49 0.20 0.22 0.09 0.00 0.00 178.44 178.99 1rw5 h TYR 96 N 0.31 0.34 -0.06 1.13 3.20 -0.12 0.23 116.97 122.00 1rw5 h TYR 96 Ca 0.06 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.74 1rw5 h TYR 96 Cb 0.44 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.65 1rw5 h TYR 96 CO 0.01 0.09 -0.86 0.45 -1.64 0.00 0.00 178.16 176.22 1rw5 h HIS 97 N 0.37 0.80 -0.44 -3.82 3.86 -1.48 -1.36 115.15 113.09 1rw5 h HIS 97 Ca 0.27 -0.39 0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1rw5 h HIS 97 Cb 0.31 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 1rw5 h HIS 97 CO -0.17 1.20 0.16 -0.07 0.86 0.00 0.00 177.93 179.91 1rw5 h LEU 98 N 0.36 0.18 -0.27 2.43 4.07 -0.61 0.84 115.31 122.31 1rw5 h LEU 98 Ca -0.07 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.73 1rw5 h LEU 98 Cb 1.48 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 43.24 1rw5 h LEU 98 CO 0.16 0.14 -0.85 -0.37 -1.08 0.00 0.00 178.44 176.43 1rw5 h VAL 99 N 0.33 1.40 -0.13 1.22 -1.51 -0.99 -1.24 116.25 115.33 1rw5 h VAL 99 Ca 0.20 -2.33 -0.20 0.00 -1.23 0.00 0.00 66.70 63.15 1rw5 h VAL 99 Cb 0.19 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1rw5 h VAL 99 CO -0.20 0.70 -0.72 0.00 -1.23 0.00 0.00 177.57 176.12 1rw5 h THR 100 N 0.25 1.33 -0.01 7.19 1.03 -0.67 -1.71 112.91 120.32 1rw5 h THR 100 Ca -0.06 -2.02 -0.17 0.00 -0.01 0.00 0.00 66.41 64.15 1rw5 h THR 100 Cb 1.46 2.00 0.01 0.00 -1.07 0.00 0.00 68.15 70.56 1rw5 h THR 100 CO 0.15 0.62 -0.68 -0.33 -0.01 0.00 0.00 175.52 175.27 1rw5 h GLU 101 N 0.41 0.47 -0.35 0.00 4.39 0.66 -3.22 114.58 116.94 1rw5 h GLU 101 Ca -0.03 -0.50 -0.05 0.00 0.34 0.00 0.00 59.36 59.12 1rw5 h GLU 101 Cb 1.31 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1rw5 h GLU 101 CO 0.14 1.14 0.00 0.28 -1.16 0.00 0.00 179.01 179.41 1rw5 h VAL 102 N 0.01 1.20 -0.93 3.13 2.07 -1.27 -2.25 116.25 118.21 1rw5 h VAL 102 Ca -0.08 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.77 1rw5 h VAL 102 Cb 1.37 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1rw5 h VAL 102 CO 0.13 0.27 0.59 -0.09 0.02 0.00 0.00 177.57 178.50 1rw5 h ARG 103 N 0.53 0.81 -0.42 1.57 2.43 -1.32 0.16 114.38 118.15 1rw5 h ARG 103 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1rw5 h ARG 103 Cb 0.33 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1rw5 h ARG 103 CO 0.01 0.54 0.00 0.41 -1.51 0.00 0.00 179.97 179.42 1rw5 n GLY 104 N -1.40 1.16 3.53 2.80 0.00 -0.87 -4.83 105.19 105.58 1rw5 n GLY 104 Ca 0.18 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.45 3.36 0.20 1.61 1.75 0.57 -4.91 119.30 120.44 1rw5 s MET 105 Ca 0.34 -0.22 -0.10 0.00 -1.25 0.00 0.00 55.69 54.45 1rw5 s MET 105 Cb 0.18 -3.99 0.14 0.00 2.84 0.00 0.00 34.83 33.99 1rw5 s MET 105 CO 0.24 -1.26 1.84 0.37 -0.65 0.00 0.00 175.02 175.56 1rw5 h GLN 106 N 9.10 0.99 -0.06 4.11 4.15 -1.88 -0.12 115.11 131.40 1rw5 h GLN 106 Ca -0.25 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.00 1rw5 h GLN 106 Cb 1.08 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1rw5 h GLN 106 CO 1.01 0.71 -0.30 0.93 -1.93 0.00 0.00 178.83 179.25 1rw5 h GLU 107 N 0.99 0.11 -2.25 1.69 5.08 -1.95 -3.32 114.58 114.92 1rw5 h GLU 107 Ca 0.26 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 58.00 1rw5 h GLU 107 Cb -0.02 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 28.82 1rw5 h GLU 107 CO -0.05 0.41 -0.89 0.00 -1.00 0.00 0.00 179.01 177.48 1rw5 n ALA 108 N -2.48 3.06 -0.42 3.43 0.00 -0.69 -4.95 120.51 118.45 1rw5 n ALA 108 Ca -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1rw5 n ALA 108 Cb 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.62 0.00 -0.42 0.00 -0.04 -0.14 -4.35 135.00 131.67 1rw5 n PRO 109 Ca 0.25 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1rw5 n PRO 109 Cb 0.47 -0.59 0.32 0.00 -0.04 0.00 0.00 33.50 33.66 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 -1.67 3.01 0.00 0.54 1.02 -1.26 -3.90 120.64 118.39 1rw5 n GLU 110 Ca 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1rw5 n GLU 110 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 1.42 0.00 0.17 0.62 0.00 -1.26 -3.89 120.51 117.56 1rw5 n ALA 111 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1rw5 n ALA 111 Cb 0.68 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.33 0.00 2.04 -1.82 -3.15 117.51 115.25 1rw5 h ILE 112 Ca 0.00 -1.80 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 1rw5 h ILE 112 Cb 0.00 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1rw5 h ILE 112 CO 0.00 0.45 -0.11 0.25 0.00 0.00 0.00 178.15 178.74 1rw5 h LEU 113 N 0.00 0.54 -0.77 1.44 6.46 -1.79 -1.85 115.31 119.33 1rw5 h LEU 113 Ca -0.00 -0.14 0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1rw5 h LEU 113 Cb 1.04 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.74 1rw5 h LEU 113 CO 0.06 0.69 0.39 0.28 -0.62 0.00 0.00 178.44 179.24 1rw5 h SER 114 N 0.52 0.49 0.85 1.25 0.02 -1.66 0.12 113.55 115.15 1rw5 h SER 114 Ca 0.09 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.88 1rw5 h SER 114 Cb 0.50 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1rw5 h SER 114 CO 0.03 0.25 -1.20 0.11 -1.14 0.00 0.00 176.83 174.88 1rw5 h LYS 115 N 0.62 0.00 -0.46 3.45 1.57 -1.71 -3.24 116.57 116.81 1rw5 h LYS 115 Ca 0.40 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1rw5 h LYS 115 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1rw5 h LYS 115 CO -0.31 0.85 0.01 0.00 -0.57 0.00 0.00 179.45 179.43 1rw5 h ALA 116 N 1.00 0.62 -0.50 3.86 0.00 -0.39 0.17 119.26 124.02 1rw5 h ALA 116 Ca -0.09 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1rw5 h ALA 116 Cb 1.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1rw5 h ALA 116 CO 0.11 0.41 -0.19 -0.24 0.00 0.00 0.00 179.25 179.34 1rw5 h VAL 117 N 0.66 1.27 0.00 0.00 3.04 -0.92 -3.08 116.25 117.21 1rw5 h VAL 117 Ca 0.13 -1.36 -0.12 0.00 -1.01 0.00 0.00 66.70 64.35 1rw5 h VAL 117 Cb 0.49 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 1rw5 h VAL 117 CO 0.02 0.47 -0.56 1.05 -1.01 0.00 0.00 177.57 177.55 1rw5 h GLU 118 N 0.87 0.00 -0.20 4.17 4.11 -1.56 -3.24 114.58 118.74 1rw5 h GLU 118 Ca 0.12 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 1rw5 h GLU 118 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1rw5 h GLU 118 CO 0.06 0.56 -0.24 0.97 0.07 0.00 0.00 179.01 180.43 1rw5 h ILE 119 N 0.00 1.25 -0.07 -1.06 2.10 -0.57 -1.71 117.51 117.46 1rw5 h ILE 119 Ca -0.01 -1.18 -0.15 0.00 1.08 0.00 0.00 64.86 64.60 1rw5 h ILE 119 Cb 1.30 1.37 -0.01 0.00 -1.09 0.00 0.00 36.82 38.39 1rw5 h ILE 119 CO 0.07 0.37 -0.63 -0.08 -1.08 0.00 0.00 178.15 176.80 1rw5 h GLU 120 N 0.33 0.26 -0.15 2.19 4.81 -1.57 -2.43 114.58 118.02 1rw5 h GLU 120 Ca 0.05 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1rw5 h GLU 120 Cb 0.61 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1rw5 h GLU 120 CO 0.04 0.81 -0.32 0.93 -0.73 0.00 0.00 179.01 179.73 1rw5 h GLU 121 N 0.19 0.48 -0.18 1.92 5.08 -1.49 -2.95 114.58 117.62 1rw5 h GLU 121 Ca -0.01 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 1rw5 h GLU 121 Cb 1.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1rw5 h GLU 121 CO 0.10 0.93 -0.26 1.96 -1.00 0.00 0.00 179.01 180.74 1rw5 h GLN 122 N 0.09 0.34 -0.50 2.33 4.20 -1.34 -2.22 115.11 118.02 1rw5 h GLN 122 Ca 0.00 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1rw5 h GLN 122 Cb 0.93 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1rw5 h GLN 122 CO 0.07 0.58 0.04 1.79 -0.67 0.00 0.00 178.83 180.64 1rw5 h THR 123 N 0.31 1.24 -0.00 -0.54 1.35 -1.41 -0.64 112.91 113.22 1rw5 h THR 123 Ca 0.05 -0.94 -0.22 0.00 -0.55 0.00 0.00 66.41 64.75 1rw5 h THR 123 Cb 0.62 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1rw5 h THR 123 CO 0.04 0.34 -0.93 0.11 -0.25 0.00 0.00 175.52 174.83 1rw5 h LYS 124 N 0.75 0.41 -0.52 4.72 1.57 -1.31 -2.98 116.57 119.21 1rw5 h LYS 124 Ca 0.15 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1rw5 h LYS 124 Cb 0.40 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1rw5 h LYS 124 CO 0.01 1.10 0.01 0.00 -0.57 0.00 0.00 179.45 180.00 1rw5 h ARG 125 N 0.23 0.90 -0.51 3.15 3.08 -1.16 -2.00 114.38 118.08 1rw5 h ARG 125 Ca -0.08 -0.28 0.09 0.00 0.07 0.00 0.00 59.98 59.79 1rw5 h ARG 125 Cb 1.56 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.50 1rw5 h ARG 125 CO 0.16 0.92 0.35 1.25 -1.07 0.00 0.00 179.97 181.58 1rw5 h LEU 126 N 0.77 0.28 -0.48 3.04 6.46 -1.10 -1.44 115.31 122.84 1rw5 h LEU 126 Ca 0.15 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1rw5 h LEU 126 Cb 0.50 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1rw5 h LEU 126 CO 0.02 0.17 0.13 -0.07 -0.62 0.00 0.00 178.44 178.07 1rw5 h LEU 127 N 0.31 0.72 -0.87 2.25 3.38 -1.21 -1.70 115.31 118.18 1rw5 h LEU 127 Ca 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1rw5 h LEU 127 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1rw5 h LEU 127 CO -0.05 0.75 0.29 -0.33 0.09 0.00 0.00 178.44 179.19 1rw5 h GLU 128 N 0.65 1.12 -0.56 1.13 5.08 -1.17 0.90 114.58 121.72 1rw5 h GLU 128 Ca 0.15 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1rw5 h GLU 128 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1rw5 h GLU 128 CO -0.00 0.91 0.14 0.78 -1.00 0.00 0.00 179.01 179.84 1rw5 h GLY 129 N 1.12 0.96 1.51 -3.84 0.00 -1.25 -3.05 103.07 98.53 1rw5 h GLY 129 Ca 0.25 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 1rw5 h GLY 129 CO -0.02 0.56 -1.14 0.00 0.00 0.00 0.00 176.54 175.94 1rw5 h MET 130 N 0.80 0.00 -0.31 4.80 -0.00 -0.92 -3.17 114.93 116.13 1rw5 h MET 130 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.87 1rw5 h MET 130 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.92 1rw5 h MET 130 CO 0.00 0.58 0.14 0.93 -0.00 0.00 0.00 176.91 178.57 1rw5 h GLU 131 N 0.00 0.42 0.00 -0.10 5.08 0.88 -1.01 114.58 119.86 1rw5 h GLU 131 Ca -0.11 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 1rw5 h GLU 131 Cb 1.68 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 1rw5 h GLU 131 CO 0.08 0.33 -0.97 1.37 -1.00 0.00 0.00 179.01 178.83 1rw5 h LEU 132 N 0.42 0.00 -0.40 1.33 8.10 -1.62 -3.29 115.31 119.85 1rw5 h LEU 132 Ca 0.11 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.05 1rw5 h LEU 132 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.26 1rw5 h LEU 132 CO -0.01 0.84 0.05 0.40 -4.11 0.00 0.00 178.44 175.61 1rw5 h ILE 133 N 0.00 1.25 -0.53 0.15 2.04 -1.18 -2.36 117.51 116.87 1rw5 h ILE 133 Ca -0.05 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1rw5 h ILE 133 Cb 1.68 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 1rw5 h ILE 133 CO 0.10 0.31 0.35 1.62 0.00 0.00 0.00 178.15 180.54 1rw5 h VAL 134 N 0.53 1.11 0.00 1.67 3.04 -1.43 0.27 116.25 121.43 1rw5 h VAL 134 Ca 0.12 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1rw5 h VAL 134 Cb 0.40 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1rw5 h VAL 134 CO 0.01 0.12 0.00 -1.20 -1.01 0.00 0.00 177.57 175.49 1rw5 n SER 135 N -4.46 0.55 -0.13 3.17 7.64 -0.92 0.37 113.62 119.84 1rw5 n SER 135 Ca 0.05 0.63 -0.22 0.00 1.01 0.00 0.00 58.87 60.35 1rw5 n SER 135 Cb 0.09 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.42 1rw5 n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 n GLN 136 N -2.11 0.63 0.14 1.43 1.13 0.67 -3.30 117.38 115.98 1rw5 n GLN 136 Ca 0.02 0.19 0.01 0.00 -1.94 0.00 0.00 57.00 55.29 1rw5 n GLN 136 Cb 0.22 -1.52 0.13 0.00 0.11 0.00 0.00 30.24 29.19 1rw5 n GLN 136 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1rw5 h VAL 137 N -0.31 1.10 -1.58 5.09 -1.51 -0.77 -3.39 116.25 114.88 1rw5 h VAL 137 Ca -0.61 -2.17 -0.35 0.00 -1.23 0.00 0.00 66.70 62.34 1rw5 h VAL 137 Cb 1.81 2.29 -0.26 0.00 -2.13 0.00 0.00 31.29 33.00 1rw5 h VAL 137 CO -0.19 0.55 -0.71 1.57 -1.23 0.00 0.00 177.57 177.56 1rw5 n HIS 138 N -3.43 -2.53 0.29 5.19 -0.00 0.16 -4.82 115.22 110.08 1rw5 n HIS 138 Ca 0.00 -2.24 0.18 0.00 0.46 0.00 0.00 57.72 56.13 1rw5 n HIS 138 Cb 0.67 0.94 0.99 0.00 -0.12 0.00 0.00 29.99 32.47 1rw5 n HIS 138 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1rw5 h PRO 139 N 5.23 0.00 0.00 1.57 0.13 -1.63 -1.56 132.00 135.74 1rw5 h PRO 139 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1rw5 h PRO 139 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1rw5 h PRO 139 CO 0.18 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.78 1rw5 h GLU 140 N 0.00 0.00 -6.44 0.86 5.08 -1.89 -3.42 114.58 108.77 1rw5 h GLU 140 Ca 0.02 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.85 1rw5 h GLU 140 Cb 0.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.45 1rw5 h GLU 140 CO -0.00 0.10 1.17 0.99 -1.00 0.00 0.00 179.01 180.27 1rw5 s THR 141 N -4.67 2.74 0.00 1.13 2.01 -0.59 -4.91 115.64 111.36 1rw5 s THR 141 Ca -0.04 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1rw5 s THR 141 Cb 0.16 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1rw5 s THR 141 CO 0.65 -0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.87 1rw5 n LYS 142 N 6.54 0.00 -3.45 4.92 5.02 -1.26 -4.92 118.16 125.01 1rw5 n LYS 142 Ca 0.19 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 1rw5 n LYS 142 Cb 0.39 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.69 0.31 -0.21 1.97 -1.05 -1.26 -5.10 118.70 112.67 1rw5 s GLU 143 Ca 0.00 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 1rw5 s GLU 143 Cb 0.00 -0.36 0.03 0.00 -0.44 0.00 0.00 34.13 33.36 1rw5 s GLU 143 CO 0.00 -0.54 -0.14 1.21 0.95 0.00 0.00 175.26 176.74 1rw5 s ASN 144 N 2.52 3.72 -0.29 0.83 3.84 -1.26 -4.97 114.94 119.34 1rw5 s ASN 144 Ca 0.08 -0.82 0.19 0.00 0.21 0.00 0.00 52.86 52.52 1rw5 s ASN 144 Cb -0.14 -1.55 0.48 0.00 -0.55 0.00 0.00 41.25 39.48 1rw5 s ASN 144 CO -0.14 -0.07 1.25 -1.84 -2.79 0.00 0.00 177.10 173.51 1rw5 n GLU 145 N 4.61 1.59 -2.67 0.43 0.28 -1.26 -4.84 120.64 118.78 1rw5 n GLU 145 Ca -0.18 -2.76 -0.41 0.00 -0.16 0.00 0.00 57.16 53.64 1rw5 n GLU 145 Cb 0.48 -0.94 -0.04 0.00 1.43 0.00 0.00 31.44 32.37 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 -2.49 4.51 0.20 3.84 1.01 -1.26 -4.91 121.20 122.10 1rw5 s ILE 146 Ca 0.21 1.95 -0.07 0.00 0.00 0.00 0.00 60.65 62.75 1rw5 s ILE 146 Cb 0.37 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1rw5 s ILE 146 CO -0.07 0.24 0.28 -0.72 0.00 0.00 0.00 174.94 174.67 1rw5 s TYR 147 N 0.44 0.68 1.03 3.97 -0.85 -1.26 -4.26 117.35 117.11 1rw5 s TYR 147 Ca 0.50 -1.00 -0.11 0.00 -0.52 0.00 0.00 57.07 55.94 1rw5 s TYR 147 Cb -0.24 -0.18 0.21 0.00 0.38 0.00 0.00 41.96 42.13 1rw5 s TYR 147 CO 0.30 -0.77 1.09 -2.14 -1.52 0.00 0.00 175.55 172.51 1rw5 s PRO 148 N -4.06 0.10 0.00 -3.49 0.02 -1.26 -5.03 135.00 121.28 1rw5 s PRO 148 Ca 0.27 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.53 1rw5 s PRO 148 Cb 0.04 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.91 1rw5 s PRO 148 CO 0.07 -3.16 0.00 1.33 -0.33 0.00 0.00 177.00 174.91 1rw5 n VAL 149 N -4.57 0.00 -2.05 3.83 0.24 -1.26 -4.93 118.33 109.60 1rw5 n VAL 149 Ca 0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1rw5 n VAL 149 Cb 0.53 -1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 31.59 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 0.44 2.04 0.02 6.34 -0.11 -1.26 -4.96 118.94 121.46 1rw5 s TRP 150 Ca 0.00 0.30 -0.28 0.00 1.22 0.00 0.00 56.10 57.34 1rw5 s TRP 150 Cb 0.00 -3.89 0.09 0.00 -1.50 0.00 0.00 33.47 28.17 1rw5 s TRP 150 CO 0.00 -3.59 0.80 0.45 -4.62 0.00 0.00 176.95 169.99 1rw5 s SER 151 N 3.41 -0.46 0.00 5.86 0.15 -1.26 -4.97 113.70 116.44 1rw5 s SER 151 Ca 0.72 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1rw5 s SER 151 Cb -0.31 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1rw5 s SER 151 CO 0.28 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1rw5 n GLY 152 N -0.04 2.53 2.35 9.45 0.00 -1.26 -4.97 105.19 113.26 1rw5 n GLY 152 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 1.68 -4.54 0.99 4.77 -1.26 -4.49 117.00 114.15 1rw5 n LEU 153 Ca 0.00 -4.98 -0.40 0.00 -0.03 0.00 0.00 56.01 50.60 1rw5 n LEU 153 Cb 0.00 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1rw5 n LEU 153 CO 0.00 2.02 2.00 -2.65 -1.33 0.00 0.00 177.39 177.43 1rw5 n PRO 154 N 1.37 1.06 -2.28 3.23 -0.02 -1.26 -4.12 135.00 132.98 1rw5 n PRO 154 Ca 0.25 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1rw5 n PRO 154 Cb 0.47 -3.05 -0.01 0.00 -0.02 0.00 0.00 33.50 30.89 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 13.84 -8.09 0.00 2.55 7.64 -1.26 -4.70 113.62 123.60 1rw5 n SER 155 Ca 0.40 1.68 0.09 0.00 1.01 0.00 0.00 58.87 62.06 1rw5 n SER 155 Cb 0.43 -4.92 0.49 0.00 -1.01 0.00 0.00 64.21 59.19 1rw5 n SER 155 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rw5 n LEU 156 N 1.69 0.00 -0.81 -3.43 7.99 -1.26 -2.83 117.00 118.35 1rw5 n LEU 156 Ca -0.05 0.26 0.04 0.00 -0.01 0.00 0.00 56.01 56.26 1rw5 n LEU 156 Cb 0.07 -0.26 0.15 0.00 -0.11 0.00 0.00 43.42 43.27 1rw5 n LEU 156 CO 0.04 -0.10 0.57 0.00 -1.51 0.00 0.00 177.39 176.40 1rw5 n GLN 157 N -1.26 2.14 -1.91 3.23 10.64 -1.26 -4.81 117.38 124.15 1rw5 n GLN 157 Ca 0.10 -1.22 -0.26 0.00 -1.83 0.00 0.00 57.00 53.79 1rw5 n GLN 157 Cb 0.15 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 27.97 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1rw5 s MET 158 N -1.65 2.32 0.31 2.61 -1.94 -1.13 -4.74 119.30 115.07 1rw5 s MET 158 Ca 0.22 0.09 0.26 0.00 -1.71 0.00 0.00 55.69 54.55 1rw5 s MET 158 Cb 0.14 -4.89 0.88 0.00 2.01 0.00 0.00 34.83 32.97 1rw5 s MET 158 CO 0.11 -3.54 1.76 0.00 -0.01 0.00 0.00 175.02 173.34 1rw5 h ALA 159 N 12.52 1.00 -2.30 3.03 0.00 -1.93 -3.41 119.26 128.16 1rw5 h ALA 159 Ca 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.34 1rw5 h ALA 159 Cb 1.04 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.88 1rw5 h ALA 159 CO 1.16 0.00 0.83 -0.25 0.00 0.00 0.00 179.25 180.99 1rw5 n ASP 160 N -2.50 3.20 -0.15 0.00 8.00 -1.26 -4.86 116.55 118.98 1rw5 n ASP 160 Ca 0.03 1.08 -0.10 0.00 0.71 0.00 0.00 54.79 56.51 1rw5 n ASP 160 Cb 0.36 -1.44 0.03 0.00 -0.02 0.00 0.00 41.12 40.05 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 6.15 0.97 0.16 -1.24 5.08 -1.99 -1.27 114.58 122.44 1rw5 h GLU 161 Ca -0.45 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.52 1rw5 h GLU 161 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rw5 h GLU 161 CO 0.90 1.06 -0.08 1.49 -1.00 0.00 0.00 179.01 181.38 1rw5 h GLU 162 N 0.85 -0.21 -0.89 2.33 4.81 -1.94 -3.08 114.58 116.45 1rw5 h GLU 162 Ca 0.12 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1rw5 h GLU 162 Cb 0.74 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1rw5 h GLU 162 CO 0.06 0.22 0.56 0.77 -0.73 0.00 0.00 179.01 179.89 1rw5 h SER 163 N -0.80 1.05 -0.74 1.04 0.02 -1.96 -1.85 113.55 110.32 1rw5 h SER 163 Ca -0.02 -0.05 0.14 0.00 -0.84 0.00 0.00 61.79 61.01 1rw5 h SER 163 Cb 0.53 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1rw5 h SER 163 CO 0.04 0.79 0.49 -0.09 -1.14 0.00 0.00 176.83 176.92 1rw5 h ARG 164 N 1.22 0.44 -0.66 3.45 9.65 -1.28 -0.61 114.38 126.60 1rw5 h ARG 164 Ca 0.32 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.25 1rw5 h ARG 164 Cb -0.09 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.33 1rw5 h ARG 164 CO -0.06 0.29 0.32 -0.07 2.80 0.00 0.00 179.97 183.25 1rw5 h LEU 165 N 0.46 0.43 -1.32 3.80 3.38 -1.23 0.15 115.31 120.97 1rw5 h LEU 165 Ca 0.36 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.48 1rw5 h LEU 165 Cb 0.76 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1rw5 h LEU 165 CO -0.12 0.26 0.53 0.28 0.09 0.00 0.00 178.44 179.48 1rw5 h SER 166 N 0.58 0.68 -0.90 -0.43 0.02 -1.18 0.96 113.55 113.27 1rw5 h SER 166 Ca 0.31 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.37 1rw5 h SER 166 Cb 0.29 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 1rw5 h SER 166 CO -0.24 0.40 0.55 0.00 -1.14 0.00 0.00 176.83 176.41 1rw5 h ALA 167 N 1.59 1.29 0.00 3.77 0.00 -0.62 -1.78 119.26 123.51 1rw5 h ALA 167 Ca 0.37 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1rw5 h ALA 167 Cb 0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1rw5 h ALA 167 CO -0.15 0.22 -2.03 0.66 0.00 0.00 0.00 179.25 177.96 1rw5 n TYR 168 N -4.65 0.00 -0.15 0.00 4.01 -0.58 -3.82 117.16 111.98 1rw5 n TYR 168 Ca 0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.80 1rw5 n TYR 168 Cb 0.26 -0.65 -0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.69 -0.35 -0.72 5.03 1.00 0.78 116.97 123.41 1rw5 h TYR 169 Ca -0.24 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 60.93 1rw5 h TYR 169 Cb 1.47 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.54 1rw5 h TYR 169 CO 0.00 0.62 -0.08 -0.91 -1.32 0.00 0.00 178.16 176.48 1rw5 h ASN 170 N 0.56 0.68 0.26 -2.11 2.35 -1.51 -1.77 115.58 114.04 1rw5 h ASN 170 Ca 0.14 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1rw5 h ASN 170 Cb 0.25 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1rw5 h ASN 170 CO -0.01 0.88 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.46 1rw5 h LEU 171 N 0.46 -0.29 -0.91 1.61 3.38 -1.61 -2.60 115.31 115.35 1rw5 h LEU 171 Ca 0.09 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1rw5 h LEU 171 Cb 0.58 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1rw5 h LEU 171 CO 0.03 0.16 0.53 -0.07 0.09 0.00 0.00 178.44 179.18 1rw5 h LEU 172 N -1.09 0.71 0.22 1.67 3.38 0.47 0.64 115.31 121.32 1rw5 h LEU 172 Ca -0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1rw5 h LEU 172 Cb 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rw5 h LEU 172 CO 0.06 0.34 -0.11 -0.74 0.09 0.00 0.00 178.44 178.08 1rw5 h HIS 173 N 0.78 -0.28 -0.13 1.13 2.76 -1.43 -1.85 115.15 116.14 1rw5 h HIS 173 Ca 0.48 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.60 1rw5 h HIS 173 Cb 0.59 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1rw5 h HIS 173 CO -0.05 0.03 -0.10 0.00 -1.30 0.00 0.00 177.93 176.51 1rw5 h LEU 175 N 0.20 1.09 0.36 0.00 6.46 0.51 -1.00 115.31 122.93 1rw5 h LEU 175 Ca 0.04 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1rw5 h LEU 175 Cb 0.30 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1rw5 h LEU 175 CO 0.02 0.87 -0.18 -0.09 -0.62 0.00 0.00 178.44 178.44 1rw5 h ARG 176 N 1.23 -0.47 -0.99 1.25 2.43 -0.45 -0.78 114.38 116.60 1rw5 h ARG 176 Ca 0.31 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.67 1rw5 h ARG 176 Cb 0.01 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.57 1rw5 h ARG 176 CO -0.05 -0.31 0.61 -0.09 -1.51 0.00 0.00 179.97 178.61 1rw5 h ARG 177 N -0.57 0.84 -0.63 0.20 2.43 -1.52 0.23 114.38 115.35 1rw5 h ARG 177 Ca -0.05 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1rw5 h ARG 177 Cb 0.38 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1rw5 h ARG 177 CO 0.08 0.56 0.15 -0.44 -1.51 0.00 0.00 179.97 178.81 1rw5 h ASP 178 N 0.86 0.93 0.18 -3.80 3.32 -1.16 0.05 116.42 116.81 1rw5 h ASP 178 Ca 0.53 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1rw5 h ASP 178 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1rw5 h ASP 178 CO -0.33 0.90 -0.17 0.28 -1.72 0.00 0.00 179.24 178.20 1rw5 h SER 179 N 0.94 0.00 0.55 6.45 0.02 0.58 -2.10 113.55 119.99 1rw5 h SER 179 Ca 0.20 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 179 Cb 0.33 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.89 1rw5 h SER 179 CO -0.00 0.17 -1.30 -0.74 -1.14 0.00 0.00 176.83 173.82 1rw5 h HIS 180 N 0.00 0.60 0.12 3.45 6.17 -0.63 -2.80 115.15 122.05 1rw5 h HIS 180 Ca -0.00 -0.44 -0.01 0.00 0.71 0.00 0.00 60.37 60.64 1rw5 h HIS 180 Cb 0.31 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.21 1rw5 h HIS 180 CO 0.00 1.35 -0.06 0.87 0.71 0.00 0.00 177.93 180.80 1rw5 h LYS 181 N 0.09 -0.15 -0.95 5.26 1.57 -0.38 0.86 116.57 122.87 1rw5 h LYS 181 Ca -0.16 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1rw5 h LYS 181 Cb 2.02 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 34.32 1rw5 h LYS 181 CO 0.22 -0.08 0.61 -0.84 -0.57 0.00 0.00 179.45 178.80 1rw5 h ILE 182 N -0.19 1.25 -0.70 1.86 3.07 -1.53 0.11 117.51 121.38 1rw5 h ILE 182 Ca -0.02 -0.48 -0.06 0.00 1.55 0.00 0.00 64.86 65.86 1rw5 h ILE 182 Cb 0.15 -0.13 -0.03 0.00 -0.27 0.00 0.00 36.82 36.53 1rw5 h ILE 182 CO 0.03 0.25 0.21 -0.78 -1.05 0.00 0.00 178.15 176.80 1rw5 h ASP 183 N 1.29 1.02 -0.35 2.16 3.58 -1.11 -2.04 116.42 120.98 1rw5 h ASP 183 Ca 0.35 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1rw5 h ASP 183 Cb -0.12 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.64 1rw5 h ASP 183 CO -0.07 0.96 0.06 0.78 -2.88 0.00 0.00 179.24 178.09 1rw5 h ASN 184 N 1.05 0.55 -0.39 2.28 2.35 0.25 -2.24 115.58 119.42 1rw5 h ASN 184 Ca 0.23 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1rw5 h ASN 184 Cb 0.31 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1rw5 h ASN 184 CO -0.01 0.66 0.18 1.88 -1.65 0.00 0.00 177.43 178.49 1rw5 h TYR 185 N 0.41 0.56 -0.56 1.19 0.05 -0.63 -2.06 116.97 115.94 1rw5 h TYR 185 Ca 0.11 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1rw5 h TYR 185 Cb 0.34 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1rw5 h TYR 185 CO 0.02 0.48 0.37 -0.07 -1.05 0.00 0.00 178.16 177.92 1rw5 h LEU 186 N 0.48 0.62 -0.08 3.88 3.38 -1.31 0.00 115.31 122.28 1rw5 h LEU 186 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rw5 h LEU 186 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1rw5 h LEU 186 CO -0.01 0.45 0.02 0.50 0.09 0.00 0.00 178.44 179.48 1rw5 h LYS 187 N 0.73 0.06 -0.69 1.13 1.63 -0.76 -0.57 116.57 118.10 1rw5 h LYS 187 Ca 0.21 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1rw5 h LYS 187 Cb -0.04 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1rw5 h LYS 187 CO -0.05 0.04 0.45 -0.07 -3.45 0.00 0.00 179.45 176.37 1rw5 h LEU 188 N 0.06 0.78 -1.63 5.20 3.38 -0.79 -1.49 115.31 120.81 1rw5 h LEU 188 Ca 0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1rw5 h LEU 188 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1rw5 h LEU 188 CO -0.04 0.56 0.36 -0.07 0.09 0.00 0.00 178.44 179.34 1rw5 h LEU 189 N 0.92 0.39 -0.66 1.67 4.07 -0.26 -1.98 115.31 119.46 1rw5 h LEU 189 Ca 0.26 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.29 1rw5 h LEU 189 Cb -0.09 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.51 1rw5 h LEU 189 CO -0.06 0.25 0.34 0.50 -1.08 0.00 0.00 178.44 178.39 1rw5 h LYS 190 N 0.45 0.60 0.00 1.13 3.64 -0.02 0.97 116.57 123.33 1rw5 h LYS 190 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1rw5 h LYS 190 Cb 0.37 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1rw5 h LYS 190 CO -0.06 0.40 -0.02 0.00 -2.27 0.00 0.00 179.45 177.49 1rw5 n ARG 192 N -4.42 1.25 0.09 0.00 0.63 -0.48 -2.51 116.66 111.22 1rw5 n ARG 192 Ca -0.03 -0.06 -0.09 0.00 -0.92 0.00 0.00 57.85 56.76 1rw5 n ARG 192 Cb 0.11 -1.36 -0.03 0.00 0.45 0.00 0.00 32.46 31.63 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 1.53 0.00 5.15 2.10 0.95 -3.37 117.51 123.88 1rw5 h ILE 193 Ca -0.24 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 62.91 1rw5 h ILE 193 Cb 1.42 2.57 0.00 0.00 -1.09 0.00 0.00 36.82 39.72 1rw5 h ILE 193 CO 0.01 0.81 -0.23 -0.38 -1.08 0.00 0.00 178.15 177.28 1rw5 n ILE 194 N -3.60 0.00 -3.07 2.19 5.41 -0.80 -4.92 119.36 114.57 1rw5 n ILE 194 Ca -0.03 -0.31 -0.17 0.00 1.00 0.00 0.00 62.75 63.23 1rw5 n ILE 194 Cb 0.84 0.85 0.04 0.00 -0.71 0.00 0.00 39.64 40.66 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 -0.97 -1.81 -4.08 1.39 8.25 -1.04 -5.00 115.22 111.96 1rw5 n HIS 195 Ca 0.00 0.57 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 1rw5 n HIS 195 Cb 0.00 -3.82 -0.08 0.00 1.12 0.00 0.00 29.99 27.21 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 -3.01 5.88 -0.25 0.41 3.84 -1.25 -5.02 114.94 115.54 1rw5 s ASN 196 Ca 0.33 0.31 -0.32 0.00 0.21 0.00 0.00 52.86 53.39 1rw5 s ASN 196 Cb -0.15 -1.83 -0.09 0.00 -0.55 0.00 0.00 41.25 38.64 1rw5 s ASN 196 CO 0.41 0.37 2.16 -3.20 -2.79 0.00 0.00 177.10 174.05 1rw5 n ASN 197 N 2.21 2.82 -0.00 -4.21 5.15 -1.26 -4.40 115.26 115.57 1rw5 n ASN 197 Ca -0.19 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1rw5 n ASN 197 Cb 0.54 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1rw5 n ASN 197 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1rw5 n ASN 198 N 10.20 0.00 0.00 1.20 4.05 -1.26 -5.06 115.26 124.38 1rw5 n ASN 198 Ca 0.34 -0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.36 1rw5 n ASN 198 Cb 0.33 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.34 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21